USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 679 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 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 THR OG1 : rot 87:sc= 0.684 USER MOD Single : A 1 ILE N :NH3+ -118:sc= 0.0732 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.866 K(o=-0.87,f=-2.6!) USER MOD Single : A 5 THR OG1 : rot 60:sc= 0.164! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 21 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.234) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 160:sc= -1.24 USER MOD Single : A 38 LYS NZ :NH3+ 176:sc=0.000958 (180deg=0.00039) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0522 (180deg=-0.294) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0441) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -140:sc= -5.74! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -6.03! C(o=-6!,f=-7.3!) USER MOD Single : A 68 HIS : no HE2:sc= -9.14! C(o=-9.1!,f=-9.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0708 X(o=-0.071,f=0) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : B 185 SER OG : rot 100:sc= -3 USER MOD Single : B 187 TYR OH : rot 47:sc= 0.125 USER MOD Single : B 191 LYS NZ :NH3+ -146:sc=-0.00112 (180deg=-0.227) USER MOD Single : B 194 TYR OH : rot 30:sc= 0.00133 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.982 14.248 -4.602 1.00 1.84 N ATOM 2 CA ILE A 1 0.923 12.878 -5.171 1.00 1.28 C ATOM 3 C ILE A 1 0.107 11.948 -4.275 1.00 1.18 C ATOM 4 O ILE A 1 -0.234 12.303 -3.146 1.00 1.52 O ATOM 5 CB ILE A 1 2.341 12.299 -5.375 1.00 1.23 C ATOM 6 CG1 ILE A 1 2.318 11.222 -6.460 1.00 1.40 C ATOM 7 CG2 ILE A 1 2.903 11.743 -4.072 1.00 1.76 C ATOM 8 CD1 ILE A 1 3.541 11.242 -7.352 1.00 1.67 C ATOM 0 H1 ILE A 1 0.534 14.917 -5.260 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.479 14.268 -3.692 1.00 1.84 H new ATOM 0 H3 ILE A 1 1.975 14.520 -4.454 1.00 1.84 H new ATOM 0 HA ILE A 1 0.433 12.948 -6.142 1.00 1.28 H new ATOM 0 HB ILE A 1 2.997 13.107 -5.698 1.00 1.23 H new ATOM 0 HG12 ILE A 1 2.237 10.243 -5.988 1.00 1.40 H new ATOM 0 HG13 ILE A 1 1.427 11.354 -7.074 1.00 1.40 H new ATOM 0 HG21 ILE A 1 3.902 11.343 -4.248 1.00 1.76 H new ATOM 0 HG22 ILE A 1 2.957 12.539 -3.330 1.00 1.76 H new ATOM 0 HG23 ILE A 1 2.253 10.948 -3.705 1.00 1.76 H new ATOM 0 HD11 ILE A 1 3.459 10.452 -8.099 1.00 1.67 H new ATOM 0 HD12 ILE A 1 3.611 12.208 -7.851 1.00 1.67 H new ATOM 0 HD13 ILE A 1 4.434 11.080 -6.749 1.00 1.67 H new ATOM 22 N VAL A 2 -0.210 10.760 -4.783 1.00 0.91 N ATOM 23 CA VAL A 2 -0.992 9.791 -4.025 1.00 0.84 C ATOM 24 C VAL A 2 -0.130 8.616 -3.568 1.00 0.73 C ATOM 25 O VAL A 2 0.926 8.346 -4.138 1.00 0.75 O ATOM 26 CB VAL A 2 -2.179 9.262 -4.855 1.00 0.97 C ATOM 27 CG1 VAL A 2 -1.687 8.556 -6.108 1.00 1.37 C ATOM 28 CG2 VAL A 2 -3.053 8.337 -4.020 1.00 1.66 C ATOM 0 H VAL A 2 0.063 10.447 -5.715 1.00 0.91 H new ATOM 0 HA VAL A 2 -1.375 10.309 -3.146 1.00 0.84 H new ATOM 0 HB VAL A 2 -2.786 10.114 -5.162 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -2.541 8.191 -6.679 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -1.115 9.255 -6.718 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -1.052 7.716 -5.827 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.884 7.976 -4.626 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.460 7.490 -3.675 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -3.442 8.882 -3.160 1.00 1.66 H new ATOM 38 N CYS A 3 -0.594 7.917 -2.533 1.00 0.75 N ATOM 39 CA CYS A 3 0.119 6.769 -1.992 1.00 0.76 C ATOM 40 C CYS A 3 -0.819 5.906 -1.156 1.00 0.74 C ATOM 41 O CYS A 3 -1.520 6.407 -0.278 1.00 0.79 O ATOM 42 CB CYS A 3 1.312 7.229 -1.147 1.00 0.86 C ATOM 43 SG CYS A 3 2.551 5.927 -0.840 1.00 1.18 S ATOM 0 H CYS A 3 -1.468 8.131 -2.052 1.00 0.75 H new ATOM 0 HA CYS A 3 0.492 6.172 -2.824 1.00 0.76 H new ATOM 0 HB2 CYS A 3 1.797 8.067 -1.648 1.00 0.86 H new ATOM 0 HB3 CYS A 3 0.945 7.599 -0.190 1.00 0.86 H new ATOM 48 N HIS A 4 -0.837 4.609 -1.453 1.00 1.00 N ATOM 49 CA HIS A 4 -1.699 3.656 -0.746 1.00 1.15 C ATOM 50 C HIS A 4 -1.839 3.995 0.739 1.00 1.39 C ATOM 51 O HIS A 4 -0.962 4.623 1.332 1.00 1.83 O ATOM 52 CB HIS A 4 -1.163 2.234 -0.904 1.00 1.50 C ATOM 53 CG HIS A 4 -1.610 1.569 -2.167 1.00 1.65 C ATOM 54 ND1 HIS A 4 -2.539 0.552 -2.191 1.00 2.53 N ATOM 55 CD2 HIS A 4 -1.261 1.788 -3.458 1.00 1.60 C ATOM 56 CE1 HIS A 4 -2.744 0.173 -3.440 1.00 3.06 C ATOM 57 NE2 HIS A 4 -1.982 0.909 -4.230 1.00 2.46 N ATOM 0 H HIS A 4 -0.262 4.189 -2.183 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.689 3.725 -1.196 1.00 1.15 H new ATOM 0 HB2 HIS A 4 -0.074 2.259 -0.881 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.486 1.635 -0.052 1.00 1.50 H new ATOM 0 HD1 HIS A 4 -2.997 0.153 -1.372 1.00 2.53 H new ATOM 0 HD2 HIS A 4 -0.549 2.518 -3.814 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -3.420 -0.606 -3.761 1.00 3.06 H new ATOM 66 N THR A 5 -2.958 3.580 1.324 1.00 1.34 N ATOM 67 CA THR A 5 -3.240 3.842 2.732 1.00 1.76 C ATOM 68 C THR A 5 -2.305 3.055 3.653 1.00 1.62 C ATOM 69 O THR A 5 -1.295 2.507 3.212 1.00 2.15 O ATOM 70 CB THR A 5 -4.702 3.506 3.037 1.00 2.22 C ATOM 71 OG1 THR A 5 -4.986 3.667 4.416 1.00 2.90 O ATOM 72 CG2 THR A 5 -5.083 2.095 2.648 1.00 2.13 C ATOM 0 H THR A 5 -3.689 3.057 0.841 1.00 1.34 H new ATOM 0 HA THR A 5 -3.065 4.901 2.922 1.00 1.76 H new ATOM 0 HB THR A 5 -5.286 4.203 2.436 1.00 2.22 H new ATOM 0 HG1 THR A 5 -4.815 4.596 4.679 1.00 2.90 H new ATOM 0 HG21 THR A 5 -6.131 1.921 2.891 1.00 2.13 H new ATOM 0 HG22 THR A 5 -4.931 1.959 1.577 1.00 2.13 H new ATOM 0 HG23 THR A 5 -4.462 1.386 3.196 1.00 2.13 H new ATOM 80 N THR A 6 -2.646 3.024 4.939 1.00 1.66 N ATOM 81 CA THR A 6 -1.843 2.332 5.944 1.00 2.10 C ATOM 82 C THR A 6 -1.753 0.830 5.679 1.00 1.68 C ATOM 83 O THR A 6 -0.721 0.214 5.945 1.00 2.39 O ATOM 84 CB THR A 6 -2.424 2.573 7.338 1.00 2.95 C ATOM 85 OG1 THR A 6 -2.581 3.960 7.582 1.00 3.66 O ATOM 86 CG2 THR A 6 -1.569 2.003 8.449 1.00 3.19 C ATOM 0 H THR A 6 -3.481 3.475 5.312 1.00 1.66 H new ATOM 0 HA THR A 6 -0.834 2.740 5.886 1.00 2.10 H new ATOM 0 HB THR A 6 -3.386 2.060 7.344 1.00 2.95 H new ATOM 0 HG1 THR A 6 -2.955 4.094 8.478 1.00 3.66 H new ATOM 0 HG21 THR A 6 -2.038 2.209 9.411 1.00 3.19 H new ATOM 0 HG22 THR A 6 -1.471 0.926 8.316 1.00 3.19 H new ATOM 0 HG23 THR A 6 -0.581 2.464 8.421 1.00 3.19 H new ATOM 94 N ALA A 7 -2.834 0.240 5.168 1.00 1.08 N ATOM 95 CA ALA A 7 -2.861 -1.198 4.887 1.00 1.16 C ATOM 96 C ALA A 7 -3.093 -2.001 6.163 1.00 1.13 C ATOM 97 O ALA A 7 -2.233 -2.762 6.600 1.00 1.34 O ATOM 98 CB ALA A 7 -1.571 -1.636 4.207 1.00 1.59 C ATOM 0 H ALA A 7 -3.699 0.731 4.941 1.00 1.08 H new ATOM 0 HA ALA A 7 -3.692 -1.393 4.209 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -1.611 -2.707 4.007 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -1.453 -1.095 3.268 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -0.725 -1.420 4.859 1.00 1.59 H new ATOM 104 N THR A 8 -4.272 -1.835 6.749 1.00 1.25 N ATOM 105 CA THR A 8 -4.632 -2.560 7.957 1.00 1.44 C ATOM 106 C THR A 8 -5.112 -3.953 7.575 1.00 1.50 C ATOM 107 O THR A 8 -4.834 -4.938 8.257 1.00 2.19 O ATOM 108 CB THR A 8 -5.729 -1.816 8.718 1.00 1.67 C ATOM 109 OG1 THR A 8 -6.197 -0.705 7.973 1.00 2.24 O ATOM 110 CG2 THR A 8 -5.278 -1.304 10.066 1.00 2.08 C ATOM 0 H THR A 8 -4.995 -1.203 6.405 1.00 1.25 H new ATOM 0 HA THR A 8 -3.759 -2.638 8.606 1.00 1.44 H new ATOM 0 HB THR A 8 -6.521 -2.550 8.870 1.00 1.67 H new ATOM 0 HG1 THR A 8 -6.899 -0.245 8.478 1.00 2.24 H new ATOM 0 HG21 THR A 8 -6.104 -0.786 10.553 1.00 2.08 H new ATOM 0 HG22 THR A 8 -4.959 -2.142 10.686 1.00 2.08 H new ATOM 0 HG23 THR A 8 -4.445 -0.614 9.933 1.00 2.08 H new ATOM 118 N SER A 9 -5.826 -4.006 6.460 1.00 1.21 N ATOM 119 CA SER A 9 -6.358 -5.251 5.927 1.00 1.26 C ATOM 120 C SER A 9 -6.944 -5.006 4.538 1.00 1.26 C ATOM 121 O SER A 9 -6.502 -5.603 3.558 1.00 1.68 O ATOM 122 CB SER A 9 -7.405 -5.836 6.873 1.00 1.48 C ATOM 123 OG SER A 9 -8.495 -6.398 6.160 1.00 1.90 O ATOM 0 H SER A 9 -6.053 -3.185 5.899 1.00 1.21 H new ATOM 0 HA SER A 9 -5.550 -5.978 5.840 1.00 1.26 H new ATOM 0 HB2 SER A 9 -6.945 -6.601 7.498 1.00 1.48 H new ATOM 0 HB3 SER A 9 -7.770 -5.056 7.541 1.00 1.48 H new ATOM 0 HG SER A 9 -9.146 -6.765 6.794 1.00 1.90 H new ATOM 129 N PRO A 10 -7.939 -4.106 4.430 1.00 1.28 N ATOM 130 CA PRO A 10 -8.557 -3.776 3.153 1.00 1.45 C ATOM 131 C PRO A 10 -7.754 -2.725 2.394 1.00 1.28 C ATOM 132 O PRO A 10 -7.906 -1.526 2.625 1.00 1.62 O ATOM 133 CB PRO A 10 -9.908 -3.211 3.567 1.00 1.78 C ATOM 134 CG PRO A 10 -9.648 -2.555 4.881 1.00 2.09 C ATOM 135 CD PRO A 10 -8.529 -3.329 5.539 1.00 1.74 C ATOM 0 HA PRO A 10 -8.622 -4.634 2.483 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -10.282 -2.497 2.833 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -10.657 -3.998 3.657 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -9.367 -1.511 4.743 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -10.543 -2.565 5.503 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -7.796 -2.663 5.995 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -8.903 -3.980 6.329 1.00 1.74 H new ATOM 143 N ILE A 11 -6.892 -3.185 1.496 1.00 1.07 N ATOM 144 CA ILE A 11 -6.050 -2.290 0.705 1.00 1.06 C ATOM 145 C ILE A 11 -6.877 -1.172 0.066 1.00 1.20 C ATOM 146 O ILE A 11 -7.820 -1.431 -0.682 1.00 1.48 O ATOM 147 CB ILE A 11 -5.278 -3.074 -0.386 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.993 -3.669 0.199 1.00 1.28 C ATOM 149 CG2 ILE A 11 -4.946 -2.181 -1.578 1.00 1.71 C ATOM 150 CD1 ILE A 11 -4.217 -4.907 1.042 1.00 1.20 C ATOM 0 H ILE A 11 -6.756 -4.176 1.295 1.00 1.07 H new ATOM 0 HA ILE A 11 -5.327 -1.837 1.383 1.00 1.06 H new ATOM 0 HB ILE A 11 -5.920 -3.882 -0.737 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -3.314 -3.916 -0.617 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -3.498 -2.912 0.807 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -4.404 -2.760 -2.326 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -5.869 -1.798 -2.014 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -4.327 -1.347 -1.247 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -3.260 -5.268 1.420 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -4.869 -4.663 1.880 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -4.683 -5.682 0.433 1.00 1.20 H new ATOM 162 N SER A 12 -6.512 0.072 0.371 1.00 1.20 N ATOM 163 CA SER A 12 -7.209 1.234 -0.167 1.00 1.43 C ATOM 164 C SER A 12 -6.223 2.166 -0.878 1.00 1.63 C ATOM 165 O SER A 12 -5.290 1.700 -1.531 1.00 2.44 O ATOM 166 CB SER A 12 -7.942 1.969 0.962 1.00 1.77 C ATOM 167 OG SER A 12 -8.530 1.055 1.870 1.00 2.15 O ATOM 0 H SER A 12 -5.734 0.299 0.990 1.00 1.20 H new ATOM 0 HA SER A 12 -7.945 0.902 -0.899 1.00 1.43 H new ATOM 0 HB2 SER A 12 -7.243 2.615 1.493 1.00 1.77 H new ATOM 0 HB3 SER A 12 -8.713 2.613 0.540 1.00 1.77 H new ATOM 0 HG SER A 12 -8.989 1.550 2.581 1.00 2.15 H new ATOM 173 N ALA A 13 -6.424 3.478 -0.754 1.00 1.65 N ATOM 174 CA ALA A 13 -5.539 4.443 -1.397 1.00 2.14 C ATOM 175 C ALA A 13 -5.798 5.864 -0.903 1.00 1.82 C ATOM 176 O ALA A 13 -6.859 6.436 -1.157 1.00 2.37 O ATOM 177 CB ALA A 13 -5.692 4.373 -2.907 1.00 2.97 C ATOM 0 H ALA A 13 -7.186 3.892 -0.218 1.00 1.65 H new ATOM 0 HA ALA A 13 -4.515 4.182 -1.129 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -5.026 5.098 -3.374 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -5.437 3.371 -3.252 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -6.723 4.599 -3.179 1.00 2.97 H new ATOM 183 N VAL A 14 -4.818 6.432 -0.205 1.00 1.28 N ATOM 184 CA VAL A 14 -4.935 7.791 0.315 1.00 1.35 C ATOM 185 C VAL A 14 -3.759 8.653 -0.142 1.00 1.06 C ATOM 186 O VAL A 14 -2.971 8.239 -0.992 1.00 1.09 O ATOM 187 CB VAL A 14 -5.010 7.802 1.855 1.00 2.08 C ATOM 188 CG1 VAL A 14 -6.228 7.028 2.337 1.00 2.82 C ATOM 189 CG2 VAL A 14 -3.733 7.234 2.459 1.00 2.60 C ATOM 0 H VAL A 14 -3.934 5.972 0.013 1.00 1.28 H new ATOM 0 HA VAL A 14 -5.861 8.207 -0.082 1.00 1.35 H new ATOM 0 HB VAL A 14 -5.111 8.835 2.187 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -6.264 7.047 3.426 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -7.132 7.486 1.936 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -6.162 5.995 1.994 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -3.806 7.251 3.546 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -3.596 6.207 2.120 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -2.882 7.837 2.143 1.00 2.60 H new ATOM 199 N THR A 15 -3.645 9.853 0.422 1.00 1.36 N ATOM 200 CA THR A 15 -2.560 10.764 0.064 1.00 1.37 C ATOM 201 C THR A 15 -1.347 10.555 0.964 1.00 1.15 C ATOM 202 O THR A 15 -1.402 9.796 1.932 1.00 1.63 O ATOM 203 CB THR A 15 -3.035 12.214 0.154 1.00 1.93 C ATOM 204 OG1 THR A 15 -2.021 13.102 -0.284 1.00 2.45 O ATOM 205 CG2 THR A 15 -3.434 12.628 1.553 1.00 2.47 C ATOM 0 H THR A 15 -4.288 10.216 1.126 1.00 1.36 H new ATOM 0 HA THR A 15 -2.264 10.548 -0.963 1.00 1.37 H new ATOM 0 HB THR A 15 -3.914 12.270 -0.488 1.00 1.93 H new ATOM 0 HG1 THR A 15 -2.345 14.025 -0.221 1.00 2.45 H new ATOM 0 HG21 THR A 15 -3.761 13.668 1.545 1.00 2.47 H new ATOM 0 HG22 THR A 15 -4.249 11.994 1.902 1.00 2.47 H new ATOM 0 HG23 THR A 15 -2.580 12.521 2.222 1.00 2.47 H new ATOM 213 N CYS A 16 -0.250 11.235 0.639 1.00 1.00 N ATOM 214 CA CYS A 16 0.979 11.125 1.419 1.00 0.91 C ATOM 215 C CYS A 16 1.054 12.225 2.479 1.00 1.05 C ATOM 216 O CYS A 16 0.685 13.369 2.220 1.00 1.59 O ATOM 217 CB CYS A 16 2.201 11.209 0.498 1.00 1.11 C ATOM 218 SG CYS A 16 2.971 9.600 0.131 1.00 1.82 S ATOM 0 H CYS A 16 -0.188 11.868 -0.159 1.00 1.00 H new ATOM 0 HA CYS A 16 0.974 10.158 1.922 1.00 0.91 H new ATOM 0 HB2 CYS A 16 1.904 11.679 -0.439 1.00 1.11 H new ATOM 0 HB3 CYS A 16 2.945 11.859 0.959 1.00 1.11 H new ATOM 223 N PRO A 17 1.541 11.893 3.688 1.00 1.33 N ATOM 224 CA PRO A 17 1.667 12.865 4.780 1.00 1.72 C ATOM 225 C PRO A 17 2.534 14.060 4.386 1.00 1.75 C ATOM 226 O PRO A 17 3.387 13.952 3.505 1.00 2.05 O ATOM 227 CB PRO A 17 2.339 12.070 5.905 1.00 2.51 C ATOM 228 CG PRO A 17 2.065 10.641 5.585 1.00 2.77 C ATOM 229 CD PRO A 17 2.011 10.555 4.087 1.00 2.00 C ATOM 0 HA PRO A 17 0.701 13.284 5.061 1.00 1.72 H new ATOM 0 HB2 PRO A 17 3.410 12.268 5.942 1.00 2.51 H new ATOM 0 HB3 PRO A 17 1.931 12.342 6.878 1.00 2.51 H new ATOM 0 HG2 PRO A 17 2.846 9.995 5.985 1.00 2.77 H new ATOM 0 HG3 PRO A 17 1.124 10.315 6.029 1.00 2.77 H new ATOM 0 HD2 PRO A 17 2.989 10.329 3.661 1.00 2.00 H new ATOM 0 HD3 PRO A 17 1.329 9.773 3.753 1.00 2.00 H new ATOM 237 N PRO A 18 2.325 15.218 5.034 1.00 2.25 N ATOM 238 CA PRO A 18 3.095 16.433 4.744 1.00 2.90 C ATOM 239 C PRO A 18 4.600 16.209 4.847 1.00 2.81 C ATOM 240 O PRO A 18 5.389 16.954 4.263 1.00 3.40 O ATOM 241 CB PRO A 18 2.628 17.420 5.818 1.00 3.70 C ATOM 242 CG PRO A 18 1.280 16.932 6.225 1.00 3.66 C ATOM 243 CD PRO A 18 1.328 15.435 6.098 1.00 2.83 C ATOM 0 HA PRO A 18 2.929 16.782 3.725 1.00 2.90 H new ATOM 0 HB2 PRO A 18 3.314 17.437 6.665 1.00 3.70 H new ATOM 0 HB3 PRO A 18 2.579 18.436 5.427 1.00 3.70 H new ATOM 0 HG2 PRO A 18 1.049 17.230 7.248 1.00 3.66 H new ATOM 0 HG3 PRO A 18 0.503 17.353 5.587 1.00 3.66 H new ATOM 0 HD2 PRO A 18 1.627 14.961 7.033 1.00 2.83 H new ATOM 0 HD3 PRO A 18 0.356 15.023 5.829 1.00 2.83 H new ATOM 251 N GLY A 19 4.994 15.180 5.593 1.00 2.46 N ATOM 252 CA GLY A 19 6.404 14.882 5.758 1.00 2.58 C ATOM 253 C GLY A 19 6.885 13.791 4.819 1.00 1.98 C ATOM 254 O GLY A 19 7.878 13.964 4.113 1.00 2.27 O ATOM 0 H GLY A 19 4.362 14.549 6.085 1.00 2.46 H new ATOM 0 HA2 GLY A 19 6.985 15.788 5.585 1.00 2.58 H new ATOM 0 HA3 GLY A 19 6.589 14.577 6.788 1.00 2.58 H new ATOM 258 N GLU A 20 6.181 12.664 4.815 1.00 1.91 N ATOM 259 CA GLU A 20 6.545 11.539 3.960 1.00 1.74 C ATOM 260 C GLU A 20 6.202 11.832 2.501 1.00 1.36 C ATOM 261 O GLU A 20 5.322 12.642 2.211 1.00 2.07 O ATOM 262 CB GLU A 20 5.833 10.266 4.422 1.00 2.62 C ATOM 263 CG GLU A 20 6.338 9.735 5.755 1.00 3.53 C ATOM 264 CD GLU A 20 6.201 10.744 6.879 1.00 4.03 C ATOM 265 OE1 GLU A 20 5.058 11.149 7.177 1.00 4.69 O ATOM 266 OE2 GLU A 20 7.237 11.130 7.459 1.00 4.12 O ATOM 0 H GLU A 20 5.356 12.505 5.393 1.00 1.91 H new ATOM 0 HA GLU A 20 7.622 11.389 4.037 1.00 1.74 H new ATOM 0 HB2 GLU A 20 4.764 10.466 4.501 1.00 2.62 H new ATOM 0 HB3 GLU A 20 5.957 9.494 3.662 1.00 2.62 H new ATOM 0 HG2 GLU A 20 5.785 8.832 6.014 1.00 3.53 H new ATOM 0 HG3 GLU A 20 7.385 9.450 5.654 1.00 3.53 H new ATOM 273 N ASN A 21 6.908 11.172 1.587 1.00 1.08 N ATOM 274 CA ASN A 21 6.683 11.367 0.158 1.00 1.79 C ATOM 275 C ASN A 21 6.671 10.039 -0.595 1.00 1.57 C ATOM 276 O ASN A 21 5.699 9.714 -1.278 1.00 2.07 O ATOM 277 CB ASN A 21 7.759 12.284 -0.425 1.00 2.76 C ATOM 278 CG ASN A 21 7.501 13.747 -0.119 1.00 3.80 C ATOM 279 OD1 ASN A 21 7.032 14.092 0.965 1.00 4.47 O ATOM 280 ND2 ASN A 21 7.806 14.614 -1.077 1.00 4.30 N ATOM 0 H ASN A 21 7.640 10.498 1.810 1.00 1.08 H new ATOM 0 HA ASN A 21 5.704 11.832 0.038 1.00 1.79 H new ATOM 0 HB2 ASN A 21 8.732 11.998 -0.025 1.00 2.76 H new ATOM 0 HB3 ASN A 21 7.805 12.144 -1.505 1.00 2.76 H new ATOM 0 HD21 ASN A 21 7.653 15.612 -0.929 1.00 4.30 H new ATOM 0 HD22 ASN A 21 8.193 14.282 -1.961 1.00 4.30 H new ATOM 287 N LEU A 22 7.756 9.280 -0.480 1.00 1.06 N ATOM 288 CA LEU A 22 7.865 7.994 -1.165 1.00 0.90 C ATOM 289 C LEU A 22 6.741 7.054 -0.758 1.00 0.77 C ATOM 290 O LEU A 22 5.913 7.379 0.089 1.00 0.92 O ATOM 291 CB LEU A 22 9.204 7.302 -0.858 1.00 1.01 C ATOM 292 CG LEU A 22 10.414 7.675 -1.728 1.00 0.89 C ATOM 293 CD1 LEU A 22 10.693 6.561 -2.706 1.00 1.70 C ATOM 294 CD2 LEU A 22 10.237 8.992 -2.467 1.00 1.13 C ATOM 0 H LEU A 22 8.571 9.531 0.079 1.00 1.06 H new ATOM 0 HA LEU A 22 7.800 8.208 -2.232 1.00 0.90 H new ATOM 0 HB2 LEU A 22 9.460 7.511 0.181 1.00 1.01 H new ATOM 0 HB3 LEU A 22 9.052 6.226 -0.938 1.00 1.01 H new ATOM 0 HG LEU A 22 11.263 7.811 -1.058 1.00 0.89 H new ATOM 0 HD11 LEU A 22 11.551 6.825 -3.323 1.00 1.70 H new ATOM 0 HD12 LEU A 22 10.908 5.643 -2.160 1.00 1.70 H new ATOM 0 HD13 LEU A 22 9.821 6.409 -3.343 1.00 1.70 H new ATOM 0 HD21 LEU A 22 11.126 9.197 -3.063 1.00 1.13 H new ATOM 0 HD22 LEU A 22 9.368 8.928 -3.122 1.00 1.13 H new ATOM 0 HD23 LEU A 22 10.089 9.797 -1.747 1.00 1.13 H new ATOM 306 N CYS A 23 6.755 5.866 -1.351 1.00 0.69 N ATOM 307 CA CYS A 23 5.777 4.834 -1.044 1.00 0.71 C ATOM 308 C CYS A 23 6.516 3.566 -0.647 1.00 0.76 C ATOM 309 O CYS A 23 6.840 2.734 -1.494 1.00 0.99 O ATOM 310 CB CYS A 23 4.870 4.565 -2.243 1.00 0.84 C ATOM 311 SG CYS A 23 3.639 5.872 -2.554 1.00 1.02 S ATOM 0 H CYS A 23 7.442 5.594 -2.054 1.00 0.69 H new ATOM 0 HA CYS A 23 5.145 5.170 -0.222 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.488 4.444 -3.133 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.349 3.620 -2.086 1.00 0.84 H new ATOM 316 N TYR A 24 6.812 3.441 0.640 1.00 0.74 N ATOM 317 CA TYR A 24 7.549 2.299 1.142 1.00 0.84 C ATOM 318 C TYR A 24 6.634 1.116 1.415 1.00 0.86 C ATOM 319 O TYR A 24 5.424 1.276 1.554 1.00 1.23 O ATOM 320 CB TYR A 24 8.294 2.687 2.418 1.00 1.01 C ATOM 321 CG TYR A 24 7.405 2.782 3.643 1.00 1.03 C ATOM 322 CD1 TYR A 24 6.984 1.636 4.310 1.00 1.57 C ATOM 323 CD2 TYR A 24 6.986 4.013 4.132 1.00 1.62 C ATOM 324 CE1 TYR A 24 6.174 1.716 5.425 1.00 1.68 C ATOM 325 CE2 TYR A 24 6.177 4.100 5.248 1.00 1.74 C ATOM 326 CZ TYR A 24 5.773 2.949 5.891 1.00 1.34 C ATOM 327 OH TYR A 24 4.965 3.033 7.001 1.00 1.57 O ATOM 0 H TYR A 24 6.550 4.121 1.354 1.00 0.74 H new ATOM 0 HA TYR A 24 8.263 1.996 0.376 1.00 0.84 H new ATOM 0 HB2 TYR A 24 9.078 1.954 2.606 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.786 3.647 2.262 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.296 0.667 3.949 1.00 1.57 H new ATOM 0 HD2 TYR A 24 7.298 4.917 3.631 1.00 1.62 H new ATOM 0 HE1 TYR A 24 5.856 0.816 5.930 1.00 1.68 H new ATOM 0 HE2 TYR A 24 5.862 5.065 5.616 1.00 1.74 H new ATOM 0 HH TYR A 24 4.776 3.974 7.197 1.00 1.57 H new ATOM 337 N ARG A 25 7.230 -0.066 1.505 1.00 0.81 N ATOM 338 CA ARG A 25 6.479 -1.286 1.776 1.00 0.85 C ATOM 339 C ARG A 25 7.282 -2.229 2.665 1.00 0.85 C ATOM 340 O ARG A 25 8.116 -2.994 2.180 1.00 1.02 O ATOM 341 CB ARG A 25 6.109 -1.985 0.468 1.00 0.99 C ATOM 342 CG ARG A 25 7.239 -2.013 -0.550 1.00 1.29 C ATOM 343 CD ARG A 25 6.833 -1.348 -1.855 1.00 1.64 C ATOM 344 NE ARG A 25 7.742 -1.685 -2.948 1.00 1.83 N ATOM 345 CZ ARG A 25 7.732 -2.854 -3.585 1.00 2.23 C ATOM 346 NH1 ARG A 25 6.866 -3.799 -3.241 1.00 2.63 N ATOM 347 NH2 ARG A 25 8.593 -3.078 -4.568 1.00 2.91 N ATOM 0 H ARG A 25 8.234 -0.206 1.394 1.00 0.81 H new ATOM 0 HA ARG A 25 5.564 -1.012 2.301 1.00 0.85 H new ATOM 0 HB2 ARG A 25 5.803 -3.008 0.687 1.00 0.99 H new ATOM 0 HB3 ARG A 25 5.248 -1.482 0.028 1.00 0.99 H new ATOM 0 HG2 ARG A 25 8.112 -1.506 -0.139 1.00 1.29 H new ATOM 0 HG3 ARG A 25 7.531 -3.045 -0.742 1.00 1.29 H new ATOM 0 HD2 ARG A 25 5.821 -1.654 -2.118 1.00 1.64 H new ATOM 0 HD3 ARG A 25 6.814 -0.267 -1.720 1.00 1.64 H new ATOM 0 HE ARG A 25 8.423 -0.984 -3.240 1.00 1.83 H new ATOM 0 HH11 ARG A 25 6.203 -3.632 -2.484 1.00 2.63 H new ATOM 0 HH12 ARG A 25 6.864 -4.692 -3.733 1.00 2.63 H new ATOM 0 HH21 ARG A 25 9.262 -2.355 -4.835 1.00 2.91 H new ATOM 0 HH22 ARG A 25 8.587 -3.973 -5.057 1.00 2.91 H new ATOM 361 N LYS A 26 7.023 -2.176 3.969 1.00 0.83 N ATOM 362 CA LYS A 26 7.723 -3.037 4.919 1.00 0.89 C ATOM 363 C LYS A 26 7.251 -4.475 4.764 1.00 0.86 C ATOM 364 O LYS A 26 6.067 -4.764 4.926 1.00 1.06 O ATOM 365 CB LYS A 26 7.487 -2.555 6.352 1.00 1.09 C ATOM 366 CG LYS A 26 8.723 -2.646 7.234 1.00 1.23 C ATOM 367 CD LYS A 26 8.422 -2.213 8.660 1.00 1.40 C ATOM 368 CE LYS A 26 9.621 -1.529 9.299 1.00 1.63 C ATOM 369 NZ LYS A 26 10.874 -2.309 9.107 1.00 2.19 N ATOM 0 H LYS A 26 6.337 -1.550 4.391 1.00 0.83 H new ATOM 0 HA LYS A 26 8.792 -2.991 4.710 1.00 0.89 H new ATOM 0 HB2 LYS A 26 7.143 -1.521 6.327 1.00 1.09 H new ATOM 0 HB3 LYS A 26 6.687 -3.146 6.799 1.00 1.09 H new ATOM 0 HG2 LYS A 26 9.096 -3.670 7.235 1.00 1.23 H new ATOM 0 HG3 LYS A 26 9.513 -2.019 6.821 1.00 1.23 H new ATOM 0 HD2 LYS A 26 7.570 -1.533 8.663 1.00 1.40 H new ATOM 0 HD3 LYS A 26 8.139 -3.082 9.253 1.00 1.40 H new ATOM 0 HE2 LYS A 26 9.743 -0.535 8.869 1.00 1.63 H new ATOM 0 HE3 LYS A 26 9.437 -1.395 10.365 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 11.600 -1.968 9.769 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 10.687 -3.316 9.287 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 11.212 -2.189 8.131 1.00 2.19 H new ATOM 383 N MET A 27 8.173 -5.374 4.429 1.00 0.79 N ATOM 384 CA MET A 27 7.809 -6.775 4.232 1.00 0.85 C ATOM 385 C MET A 27 8.816 -7.723 4.869 1.00 0.79 C ATOM 386 O MET A 27 9.920 -7.320 5.232 1.00 0.84 O ATOM 387 CB MET A 27 7.702 -7.079 2.737 1.00 1.03 C ATOM 388 CG MET A 27 9.011 -6.905 1.987 1.00 1.28 C ATOM 389 SD MET A 27 8.784 -6.200 0.343 1.00 1.66 S ATOM 390 CE MET A 27 10.477 -6.145 -0.238 1.00 2.08 C ATOM 0 H MET A 27 9.161 -5.163 4.290 1.00 0.79 H new ATOM 0 HA MET A 27 6.846 -6.933 4.718 1.00 0.85 H new ATOM 0 HB2 MET A 27 7.352 -8.103 2.607 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.950 -6.426 2.295 1.00 1.03 H new ATOM 0 HG2 MET A 27 9.673 -6.261 2.565 1.00 1.28 H new ATOM 0 HG3 MET A 27 9.505 -7.873 1.898 1.00 1.28 H new ATOM 0 HE1 MET A 27 10.503 -5.731 -1.246 1.00 2.08 H new ATOM 0 HE2 MET A 27 11.070 -5.517 0.427 1.00 2.08 H new ATOM 0 HE3 MET A 27 10.891 -7.153 -0.250 1.00 2.08 H new ATOM 400 N TRP A 28 8.432 -8.998 4.983 1.00 0.77 N ATOM 401 CA TRP A 28 9.324 -9.999 5.559 1.00 0.81 C ATOM 402 C TRP A 28 8.887 -11.414 5.199 1.00 0.98 C ATOM 403 O TRP A 28 8.456 -12.188 6.050 1.00 1.57 O ATOM 404 CB TRP A 28 9.456 -9.827 7.077 1.00 1.07 C ATOM 405 CG TRP A 28 8.166 -9.865 7.846 1.00 0.86 C ATOM 406 CD1 TRP A 28 7.465 -10.971 8.228 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.434 -8.743 8.355 1.00 0.85 C ATOM 408 NE1 TRP A 28 6.356 -10.610 8.944 1.00 0.89 N ATOM 409 CE2 TRP A 28 6.312 -9.247 9.037 1.00 0.89 C ATOM 410 CE3 TRP A 28 7.622 -7.365 8.300 1.00 1.00 C ATOM 411 CZ2 TRP A 28 5.386 -8.416 9.661 1.00 1.07 C ATOM 412 CZ3 TRP A 28 6.699 -6.540 8.918 1.00 1.15 C ATOM 413 CH2 TRP A 28 5.595 -7.068 9.592 1.00 1.19 C ATOM 0 H TRP A 28 7.523 -9.354 4.688 1.00 0.77 H new ATOM 0 HA TRP A 28 10.310 -9.841 5.123 1.00 0.81 H new ATOM 0 HB2 TRP A 28 10.110 -10.611 7.459 1.00 1.07 H new ATOM 0 HB3 TRP A 28 9.950 -8.876 7.276 1.00 1.07 H new ATOM 0 HD1 TRP A 28 7.746 -11.988 7.998 1.00 0.88 H new ATOM 0 HE1 TRP A 28 5.673 -11.254 9.343 1.00 0.89 H new ATOM 0 HE3 TRP A 28 8.474 -6.947 7.784 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 4.532 -8.823 10.182 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 6.834 -5.469 8.879 1.00 1.15 H new ATOM 0 HH2 TRP A 28 4.894 -6.398 10.067 1.00 1.19 H new ATOM 424 N CYS A 29 9.024 -11.738 3.920 1.00 1.10 N ATOM 425 CA CYS A 29 8.667 -13.055 3.399 1.00 1.39 C ATOM 426 C CYS A 29 8.820 -13.084 1.882 1.00 1.62 C ATOM 427 O CYS A 29 9.132 -14.125 1.301 1.00 2.20 O ATOM 428 CB CYS A 29 7.231 -13.428 3.780 1.00 1.50 C ATOM 429 SG CYS A 29 6.982 -15.209 4.084 1.00 1.87 S ATOM 0 H CYS A 29 9.385 -11.097 3.213 1.00 1.10 H new ATOM 0 HA CYS A 29 9.344 -13.785 3.844 1.00 1.39 H new ATOM 0 HB2 CYS A 29 6.948 -12.874 4.675 1.00 1.50 H new ATOM 0 HB3 CYS A 29 6.560 -13.109 2.983 1.00 1.50 H new ATOM 434 N ASP A 30 8.594 -11.931 1.249 1.00 1.38 N ATOM 435 CA ASP A 30 8.699 -11.797 -0.205 1.00 1.74 C ATOM 436 C ASP A 30 9.805 -12.674 -0.784 1.00 1.96 C ATOM 437 O ASP A 30 10.990 -12.355 -0.684 1.00 2.52 O ATOM 438 CB ASP A 30 8.945 -10.334 -0.573 1.00 2.08 C ATOM 439 CG ASP A 30 8.367 -9.974 -1.928 1.00 2.33 C ATOM 440 OD1 ASP A 30 8.317 -10.859 -2.807 1.00 2.75 O ATOM 441 OD2 ASP A 30 7.964 -8.806 -2.109 1.00 2.64 O ATOM 0 H ASP A 30 8.334 -11.068 1.727 1.00 1.38 H new ATOM 0 HA ASP A 30 7.756 -12.134 -0.637 1.00 1.74 H new ATOM 0 HB2 ASP A 30 8.504 -9.691 0.189 1.00 2.08 H new ATOM 0 HB3 ASP A 30 10.017 -10.138 -0.575 1.00 2.08 H new ATOM 446 N ALA A 31 9.396 -13.782 -1.391 1.00 2.10 N ATOM 447 CA ALA A 31 10.328 -14.725 -1.996 1.00 2.46 C ATOM 448 C ALA A 31 9.569 -15.896 -2.607 1.00 2.26 C ATOM 449 O ALA A 31 9.838 -16.304 -3.737 1.00 2.66 O ATOM 450 CB ALA A 31 11.330 -15.222 -0.965 1.00 2.98 C ATOM 0 H ALA A 31 8.416 -14.051 -1.477 1.00 2.10 H new ATOM 0 HA ALA A 31 10.876 -14.212 -2.787 1.00 2.46 H new ATOM 0 HB1 ALA A 31 12.018 -15.925 -1.435 1.00 2.98 H new ATOM 0 HB2 ALA A 31 11.891 -14.377 -0.566 1.00 2.98 H new ATOM 0 HB3 ALA A 31 10.800 -15.721 -0.153 1.00 2.98 H new ATOM 456 N PHE A 32 8.611 -16.421 -1.849 1.00 2.11 N ATOM 457 CA PHE A 32 7.792 -17.542 -2.299 1.00 2.17 C ATOM 458 C PHE A 32 6.812 -17.960 -1.206 1.00 1.75 C ATOM 459 O PHE A 32 6.597 -19.149 -0.969 1.00 2.16 O ATOM 460 CB PHE A 32 8.675 -18.726 -2.705 1.00 2.77 C ATOM 461 CG PHE A 32 8.912 -18.813 -4.186 1.00 3.17 C ATOM 462 CD1 PHE A 32 7.867 -18.645 -5.080 1.00 3.67 C ATOM 463 CD2 PHE A 32 10.182 -19.058 -4.685 1.00 3.74 C ATOM 464 CE1 PHE A 32 8.083 -18.721 -6.443 1.00 4.50 C ATOM 465 CE2 PHE A 32 10.403 -19.136 -6.048 1.00 4.54 C ATOM 466 CZ PHE A 32 9.353 -18.967 -6.927 1.00 4.85 C ATOM 0 H PHE A 32 8.382 -16.085 -0.914 1.00 2.11 H new ATOM 0 HA PHE A 32 7.223 -17.222 -3.172 1.00 2.17 H new ATOM 0 HB2 PHE A 32 9.635 -18.646 -2.195 1.00 2.77 H new ATOM 0 HB3 PHE A 32 8.209 -19.651 -2.364 1.00 2.77 H new ATOM 0 HD1 PHE A 32 6.872 -18.452 -4.707 1.00 3.67 H new ATOM 0 HD2 PHE A 32 11.008 -19.189 -4.002 1.00 3.74 H new ATOM 0 HE1 PHE A 32 7.259 -18.588 -7.129 1.00 4.50 H new ATOM 0 HE2 PHE A 32 11.397 -19.329 -6.424 1.00 4.54 H new ATOM 0 HZ PHE A 32 9.524 -19.027 -7.992 1.00 4.85 H new ATOM 476 N CYS A 33 6.221 -16.970 -0.543 1.00 1.44 N ATOM 477 CA CYS A 33 5.263 -17.227 0.526 1.00 1.44 C ATOM 478 C CYS A 33 3.832 -17.155 0.004 1.00 1.67 C ATOM 479 O CYS A 33 3.540 -16.415 -0.937 1.00 2.41 O ATOM 480 CB CYS A 33 5.449 -16.217 1.663 1.00 1.66 C ATOM 481 SG CYS A 33 7.168 -16.054 2.245 1.00 1.93 S ATOM 0 H CYS A 33 6.390 -15.981 -0.728 1.00 1.44 H new ATOM 0 HA CYS A 33 5.445 -18.232 0.906 1.00 1.44 H new ATOM 0 HB2 CYS A 33 5.097 -15.241 1.328 1.00 1.66 H new ATOM 0 HB3 CYS A 33 4.820 -16.512 2.503 1.00 1.66 H new ATOM 486 N SER A 34 2.941 -17.921 0.625 1.00 1.74 N ATOM 487 CA SER A 34 1.536 -17.940 0.231 1.00 2.21 C ATOM 488 C SER A 34 0.657 -17.403 1.356 1.00 2.07 C ATOM 489 O SER A 34 1.161 -16.960 2.387 1.00 2.39 O ATOM 490 CB SER A 34 1.105 -19.359 -0.141 1.00 2.92 C ATOM 491 OG SER A 34 2.131 -20.036 -0.847 1.00 3.47 O ATOM 0 H SER A 34 3.167 -18.538 1.405 1.00 1.74 H new ATOM 0 HA SER A 34 1.417 -17.297 -0.641 1.00 2.21 H new ATOM 0 HB2 SER A 34 0.854 -19.915 0.762 1.00 2.92 H new ATOM 0 HB3 SER A 34 0.203 -19.320 -0.752 1.00 2.92 H new ATOM 0 HG SER A 34 1.831 -20.941 -1.072 1.00 3.47 H new ATOM 497 N SER A 35 -0.657 -17.441 1.154 1.00 2.23 N ATOM 498 CA SER A 35 -1.593 -16.951 2.161 1.00 2.38 C ATOM 499 C SER A 35 -1.332 -15.476 2.455 1.00 2.12 C ATOM 500 O SER A 35 -0.384 -15.134 3.162 1.00 2.53 O ATOM 501 CB SER A 35 -1.462 -17.777 3.442 1.00 2.81 C ATOM 502 OG SER A 35 -2.712 -18.318 3.832 1.00 3.24 O ATOM 0 H SER A 35 -1.096 -17.804 0.308 1.00 2.23 H new ATOM 0 HA SER A 35 -2.608 -17.053 1.777 1.00 2.38 H new ATOM 0 HB2 SER A 35 -0.746 -18.584 3.286 1.00 2.81 H new ATOM 0 HB3 SER A 35 -1.068 -17.151 4.243 1.00 2.81 H new ATOM 0 HG SER A 35 -2.566 -19.077 4.435 1.00 3.24 H new ATOM 508 N ARG A 36 -2.160 -14.604 1.872 1.00 2.05 N ATOM 509 CA ARG A 36 -2.020 -13.157 2.025 1.00 2.00 C ATOM 510 C ARG A 36 -0.977 -12.670 1.035 1.00 2.04 C ATOM 511 O ARG A 36 -1.177 -11.675 0.341 1.00 2.72 O ATOM 512 CB ARG A 36 -1.608 -12.775 3.461 1.00 2.08 C ATOM 513 CG ARG A 36 -2.452 -11.666 4.109 1.00 1.74 C ATOM 514 CD ARG A 36 -2.824 -12.028 5.552 1.00 2.68 C ATOM 515 NE ARG A 36 -2.955 -10.864 6.439 1.00 3.20 N ATOM 516 CZ ARG A 36 -4.082 -10.180 6.621 1.00 3.94 C ATOM 517 NH1 ARG A 36 -5.151 -10.435 5.885 1.00 4.27 N ATOM 518 NH2 ARG A 36 -4.134 -9.222 7.536 1.00 4.76 N ATOM 0 H ARG A 36 -2.944 -14.883 1.282 1.00 2.05 H new ATOM 0 HA ARG A 36 -2.983 -12.684 1.829 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -1.664 -13.665 4.087 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -0.565 -12.457 3.451 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -1.897 -10.728 4.098 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -3.359 -11.507 3.525 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -3.765 -12.578 5.548 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -2.065 -12.698 5.956 1.00 2.68 H new ATOM 0 HE ARG A 36 -2.126 -10.560 6.950 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -5.116 -11.162 5.170 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -6.010 -9.905 6.032 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -3.311 -9.010 8.100 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -4.997 -8.697 7.676 1.00 4.76 H new ATOM 532 N GLY A 37 0.132 -13.407 0.969 1.00 1.75 N ATOM 533 CA GLY A 37 1.219 -13.080 0.062 1.00 2.21 C ATOM 534 C GLY A 37 2.579 -13.107 0.749 1.00 1.79 C ATOM 535 O GLY A 37 3.470 -13.854 0.342 1.00 2.20 O ATOM 0 H GLY A 37 0.296 -14.237 1.538 1.00 1.75 H new ATOM 0 HA2 GLY A 37 1.221 -13.786 -0.768 1.00 2.21 H new ATOM 0 HA3 GLY A 37 1.049 -12.090 -0.362 1.00 2.21 H new ATOM 539 N LYS A 38 2.732 -12.301 1.798 1.00 1.40 N ATOM 540 CA LYS A 38 3.984 -12.238 2.556 1.00 1.39 C ATOM 541 C LYS A 38 3.818 -11.388 3.801 1.00 1.23 C ATOM 542 O LYS A 38 3.697 -11.889 4.912 1.00 1.86 O ATOM 543 CB LYS A 38 5.140 -11.679 1.705 1.00 1.66 C ATOM 544 CG LYS A 38 4.733 -10.596 0.716 1.00 2.44 C ATOM 545 CD LYS A 38 5.424 -10.766 -0.626 1.00 3.26 C ATOM 546 CE LYS A 38 5.069 -9.643 -1.584 1.00 4.06 C ATOM 547 NZ LYS A 38 5.065 -10.098 -3.001 1.00 4.85 N ATOM 0 H LYS A 38 2.002 -11.679 2.145 1.00 1.40 H new ATOM 0 HA LYS A 38 4.232 -13.259 2.845 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.902 -11.276 2.372 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.599 -12.501 1.155 1.00 1.66 H new ATOM 0 HG2 LYS A 38 3.653 -10.622 0.574 1.00 2.44 H new ATOM 0 HG3 LYS A 38 4.977 -9.617 1.129 1.00 2.44 H new ATOM 0 HD2 LYS A 38 6.504 -10.792 -0.479 1.00 3.26 H new ATOM 0 HD3 LYS A 38 5.139 -11.722 -1.064 1.00 3.26 H new ATOM 0 HE2 LYS A 38 4.087 -9.246 -1.328 1.00 4.06 H new ATOM 0 HE3 LYS A 38 5.783 -8.828 -1.467 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 4.752 -9.319 -3.615 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 6.025 -10.390 -3.274 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 4.415 -10.903 -3.105 1.00 4.85 H new ATOM 561 N VAL A 39 3.827 -10.102 3.569 1.00 0.90 N ATOM 562 CA VAL A 39 3.692 -9.071 4.590 1.00 0.75 C ATOM 563 C VAL A 39 4.164 -7.760 3.991 1.00 0.80 C ATOM 564 O VAL A 39 5.310 -7.648 3.573 1.00 1.62 O ATOM 565 CB VAL A 39 4.458 -9.391 5.910 1.00 0.73 C ATOM 566 CG1 VAL A 39 5.685 -10.243 5.678 1.00 0.77 C ATOM 567 CG2 VAL A 39 4.810 -8.124 6.678 1.00 0.82 C ATOM 0 H VAL A 39 3.932 -9.719 2.630 1.00 0.90 H new ATOM 0 HA VAL A 39 2.643 -9.014 4.882 1.00 0.75 H new ATOM 0 HB VAL A 39 3.775 -9.978 6.524 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.180 -10.435 6.630 1.00 0.77 H new ATOM 0 HG12 VAL A 39 5.390 -11.189 5.225 1.00 0.77 H new ATOM 0 HG13 VAL A 39 6.371 -9.719 5.012 1.00 0.77 H new ATOM 0 HG21 VAL A 39 5.343 -8.388 7.591 1.00 0.82 H new ATOM 0 HG22 VAL A 39 5.443 -7.488 6.060 1.00 0.82 H new ATOM 0 HG23 VAL A 39 3.896 -7.588 6.933 1.00 0.82 H new ATOM 577 N VAL A 40 3.270 -6.783 3.904 1.00 1.00 N ATOM 578 CA VAL A 40 3.629 -5.512 3.302 1.00 0.94 C ATOM 579 C VAL A 40 2.964 -4.323 3.977 1.00 0.99 C ATOM 580 O VAL A 40 2.122 -3.648 3.384 1.00 1.40 O ATOM 581 CB VAL A 40 3.288 -5.493 1.807 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.285 -6.345 1.045 1.00 1.25 C ATOM 583 CG2 VAL A 40 1.861 -5.975 1.571 1.00 1.31 C ATOM 0 H VAL A 40 2.308 -6.846 4.237 1.00 1.00 H new ATOM 0 HA VAL A 40 4.706 -5.416 3.440 1.00 0.94 H new ATOM 0 HB VAL A 40 3.353 -4.468 1.441 1.00 1.03 H new ATOM 0 HG11 VAL A 40 4.040 -6.330 -0.017 1.00 1.25 H new ATOM 0 HG12 VAL A 40 5.290 -5.948 1.192 1.00 1.25 H new ATOM 0 HG13 VAL A 40 4.243 -7.370 1.412 1.00 1.25 H new ATOM 0 HG21 VAL A 40 1.641 -5.953 0.504 1.00 1.31 H new ATOM 0 HG22 VAL A 40 1.755 -6.994 1.942 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.165 -5.323 2.098 1.00 1.31 H new ATOM 593 N GLU A 41 3.391 -4.037 5.194 1.00 1.12 N ATOM 594 CA GLU A 41 2.880 -2.883 5.916 1.00 1.31 C ATOM 595 C GLU A 41 3.439 -1.636 5.253 1.00 1.09 C ATOM 596 O GLU A 41 4.404 -1.035 5.726 1.00 1.20 O ATOM 597 CB GLU A 41 3.288 -2.921 7.382 1.00 1.75 C ATOM 598 CG GLU A 41 2.223 -3.500 8.299 1.00 2.24 C ATOM 599 CD GLU A 41 1.825 -2.544 9.408 1.00 2.85 C ATOM 600 OE1 GLU A 41 2.583 -2.432 10.394 1.00 3.33 O ATOM 601 OE2 GLU A 41 0.758 -1.907 9.288 1.00 3.41 O ATOM 0 H GLU A 41 4.086 -4.584 5.702 1.00 1.12 H new ATOM 0 HA GLU A 41 1.791 -2.886 5.883 1.00 1.31 H new ATOM 0 HB2 GLU A 41 4.199 -3.511 7.481 1.00 1.75 H new ATOM 0 HB3 GLU A 41 3.526 -1.909 7.710 1.00 1.75 H new ATOM 0 HG2 GLU A 41 1.342 -3.755 7.710 1.00 2.24 H new ATOM 0 HG3 GLU A 41 2.592 -4.427 8.738 1.00 2.24 H new ATOM 608 N LEU A 42 2.859 -1.302 4.119 1.00 1.16 N ATOM 609 CA LEU A 42 3.310 -0.173 3.318 1.00 1.39 C ATOM 610 C LEU A 42 2.591 1.131 3.652 1.00 1.07 C ATOM 611 O LEU A 42 1.523 1.143 4.265 1.00 1.33 O ATOM 612 CB LEU A 42 3.147 -0.505 1.829 1.00 2.10 C ATOM 613 CG LEU A 42 1.742 -0.326 1.249 1.00 2.81 C ATOM 614 CD1 LEU A 42 1.680 -0.910 -0.150 1.00 3.51 C ATOM 615 CD2 LEU A 42 0.696 -0.978 2.139 1.00 3.51 C ATOM 0 H LEU A 42 2.063 -1.802 3.723 1.00 1.16 H new ATOM 0 HA LEU A 42 4.361 -0.010 3.557 1.00 1.39 H new ATOM 0 HB2 LEU A 42 3.835 0.121 1.261 1.00 2.10 H new ATOM 0 HB3 LEU A 42 3.454 -1.539 1.673 1.00 2.10 H new ATOM 0 HG LEU A 42 1.525 0.741 1.200 1.00 2.81 H new ATOM 0 HD11 LEU A 42 0.677 -0.778 -0.555 1.00 3.51 H new ATOM 0 HD12 LEU A 42 2.400 -0.399 -0.790 1.00 3.51 H new ATOM 0 HD13 LEU A 42 1.919 -1.973 -0.112 1.00 3.51 H new ATOM 0 HD21 LEU A 42 -0.293 -0.835 1.703 1.00 3.51 H new ATOM 0 HD22 LEU A 42 0.905 -2.044 2.224 1.00 3.51 H new ATOM 0 HD23 LEU A 42 0.725 -0.522 3.129 1.00 3.51 H new ATOM 627 N GLY A 43 3.209 2.227 3.224 1.00 0.94 N ATOM 628 CA GLY A 43 2.680 3.551 3.439 1.00 1.07 C ATOM 629 C GLY A 43 3.508 4.585 2.698 1.00 0.96 C ATOM 630 O GLY A 43 3.983 4.331 1.589 1.00 1.16 O ATOM 0 H GLY A 43 4.094 2.212 2.717 1.00 0.94 H new ATOM 0 HA2 GLY A 43 1.645 3.594 3.099 1.00 1.07 H new ATOM 0 HA3 GLY A 43 2.675 3.778 4.505 1.00 1.07 H new ATOM 634 N CYS A 44 3.701 5.743 3.309 1.00 0.84 N ATOM 635 CA CYS A 44 4.489 6.803 2.691 1.00 0.76 C ATOM 636 C CYS A 44 5.817 6.995 3.424 1.00 0.86 C ATOM 637 O CYS A 44 5.852 7.086 4.652 1.00 1.07 O ATOM 638 CB CYS A 44 3.695 8.110 2.671 1.00 0.81 C ATOM 639 SG CYS A 44 4.384 9.390 1.571 1.00 1.35 S ATOM 0 H CYS A 44 3.325 5.975 4.229 1.00 0.84 H new ATOM 0 HA CYS A 44 4.709 6.511 1.664 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.672 7.895 2.363 1.00 0.81 H new ATOM 0 HB3 CYS A 44 3.646 8.507 3.685 1.00 0.81 H new ATOM 644 N ALA A 45 6.908 7.048 2.662 1.00 0.87 N ATOM 645 CA ALA A 45 8.242 7.221 3.233 1.00 1.04 C ATOM 646 C ALA A 45 8.784 8.618 2.950 1.00 1.05 C ATOM 647 O ALA A 45 8.431 9.236 1.951 1.00 1.16 O ATOM 648 CB ALA A 45 9.191 6.165 2.685 1.00 1.21 C ATOM 0 H ALA A 45 6.894 6.973 1.645 1.00 0.87 H new ATOM 0 HA ALA A 45 8.166 7.101 4.314 1.00 1.04 H new ATOM 0 HB1 ALA A 45 10.181 6.305 3.119 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.819 5.173 2.943 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.253 6.259 1.601 1.00 1.21 H new ATOM 654 N ALA A 46 9.640 9.110 3.839 1.00 1.25 N ATOM 655 CA ALA A 46 10.224 10.441 3.687 1.00 1.34 C ATOM 656 C ALA A 46 11.317 10.480 2.617 1.00 1.36 C ATOM 657 O ALA A 46 11.888 11.538 2.351 1.00 1.78 O ATOM 658 CB ALA A 46 10.777 10.922 5.019 1.00 1.57 C ATOM 0 H ALA A 46 9.946 8.608 4.673 1.00 1.25 H new ATOM 0 HA ALA A 46 9.428 11.109 3.357 1.00 1.34 H new ATOM 0 HB1 ALA A 46 11.210 11.915 4.896 1.00 1.57 H new ATOM 0 HB2 ALA A 46 9.972 10.966 5.753 1.00 1.57 H new ATOM 0 HB3 ALA A 46 11.546 10.231 5.365 1.00 1.57 H new ATOM 664 N THR A 47 11.611 9.335 2.004 1.00 1.21 N ATOM 665 CA THR A 47 12.642 9.268 0.969 1.00 1.35 C ATOM 666 C THR A 47 12.864 7.830 0.512 1.00 1.45 C ATOM 667 O THR A 47 12.335 6.891 1.107 1.00 2.27 O ATOM 668 CB THR A 47 13.960 9.860 1.478 1.00 1.55 C ATOM 669 OG1 THR A 47 13.964 9.936 2.893 1.00 2.06 O ATOM 670 CG2 THR A 47 14.239 11.247 0.941 1.00 2.18 C ATOM 0 H THR A 47 11.153 8.446 2.204 1.00 1.21 H new ATOM 0 HA THR A 47 12.296 9.855 0.118 1.00 1.35 H new ATOM 0 HB THR A 47 14.737 9.186 1.118 1.00 1.55 H new ATOM 0 HG1 THR A 47 14.815 10.315 3.198 1.00 2.06 H new ATOM 0 HG21 THR A 47 15.187 11.608 1.340 1.00 2.18 H new ATOM 0 HG22 THR A 47 14.293 11.212 -0.147 1.00 2.18 H new ATOM 0 HG23 THR A 47 13.438 11.922 1.243 1.00 2.18 H new ATOM 678 N CYS A 48 13.638 7.668 -0.560 1.00 1.30 N ATOM 679 CA CYS A 48 13.921 6.344 -1.114 1.00 1.60 C ATOM 680 C CYS A 48 15.326 5.821 -0.771 1.00 1.50 C ATOM 681 O CYS A 48 16.112 5.534 -1.673 1.00 1.89 O ATOM 682 CB CYS A 48 13.767 6.367 -2.638 1.00 2.23 C ATOM 683 SG CYS A 48 13.384 4.746 -3.393 1.00 2.27 S ATOM 0 H CYS A 48 14.081 8.437 -1.063 1.00 1.30 H new ATOM 0 HA CYS A 48 13.199 5.668 -0.656 1.00 1.60 H new ATOM 0 HB2 CYS A 48 12.976 7.070 -2.899 1.00 2.23 H new ATOM 0 HB3 CYS A 48 14.689 6.748 -3.077 1.00 2.23 H new ATOM 688 N PRO A 49 15.664 5.664 0.526 1.00 1.67 N ATOM 689 CA PRO A 49 16.974 5.140 0.935 1.00 2.01 C ATOM 690 C PRO A 49 17.329 3.842 0.204 1.00 1.97 C ATOM 691 O PRO A 49 16.715 3.491 -0.801 1.00 2.38 O ATOM 692 CB PRO A 49 16.805 4.848 2.426 1.00 2.64 C ATOM 693 CG PRO A 49 15.669 5.697 2.881 1.00 2.84 C ATOM 694 CD PRO A 49 14.805 5.974 1.678 1.00 2.20 C ATOM 0 HA PRO A 49 17.772 5.846 0.708 1.00 2.01 H new ATOM 0 HB2 PRO A 49 16.596 3.792 2.596 1.00 2.64 H new ATOM 0 HB3 PRO A 49 17.715 5.086 2.976 1.00 2.64 H new ATOM 0 HG2 PRO A 49 15.096 5.189 3.656 1.00 2.84 H new ATOM 0 HG3 PRO A 49 16.035 6.628 3.314 1.00 2.84 H new ATOM 0 HD2 PRO A 49 13.909 5.354 1.682 1.00 2.20 H new ATOM 0 HD3 PRO A 49 14.474 7.012 1.658 1.00 2.20 H new ATOM 702 N SER A 50 18.317 3.121 0.728 1.00 2.11 N ATOM 703 CA SER A 50 18.739 1.856 0.126 1.00 2.30 C ATOM 704 C SER A 50 19.932 1.259 0.869 1.00 1.95 C ATOM 705 O SER A 50 20.861 1.974 1.244 1.00 2.12 O ATOM 706 CB SER A 50 19.093 2.056 -1.349 1.00 3.06 C ATOM 707 OG SER A 50 19.881 3.221 -1.531 1.00 3.47 O ATOM 0 H SER A 50 18.839 3.388 1.563 1.00 2.11 H new ATOM 0 HA SER A 50 17.904 1.159 0.202 1.00 2.30 H new ATOM 0 HB2 SER A 50 19.635 1.185 -1.717 1.00 3.06 H new ATOM 0 HB3 SER A 50 18.179 2.135 -1.938 1.00 3.06 H new ATOM 0 HG SER A 50 20.095 3.326 -2.482 1.00 3.47 H new ATOM 713 N LYS A 51 19.899 -0.057 1.073 1.00 1.81 N ATOM 714 CA LYS A 51 20.980 -0.752 1.768 1.00 1.81 C ATOM 715 C LYS A 51 20.716 -2.257 1.840 1.00 1.86 C ATOM 716 O LYS A 51 20.977 -2.888 2.864 1.00 2.42 O ATOM 717 CB LYS A 51 21.155 -0.187 3.180 1.00 2.17 C ATOM 718 CG LYS A 51 19.956 -0.428 4.083 1.00 2.27 C ATOM 719 CD LYS A 51 20.205 0.093 5.491 1.00 2.64 C ATOM 720 CE LYS A 51 21.397 -0.594 6.136 1.00 3.02 C ATOM 721 NZ LYS A 51 21.249 -2.075 6.147 1.00 3.62 N ATOM 0 H LYS A 51 19.137 -0.662 0.767 1.00 1.81 H new ATOM 0 HA LYS A 51 21.897 -0.592 1.201 1.00 1.81 H new ATOM 0 HB2 LYS A 51 22.038 -0.635 3.635 1.00 2.17 H new ATOM 0 HB3 LYS A 51 21.340 0.885 3.113 1.00 2.17 H new ATOM 0 HG2 LYS A 51 19.078 0.062 3.662 1.00 2.27 H new ATOM 0 HG3 LYS A 51 19.737 -1.495 4.122 1.00 2.27 H new ATOM 0 HD2 LYS A 51 20.378 1.169 5.457 1.00 2.64 H new ATOM 0 HD3 LYS A 51 19.317 -0.068 6.102 1.00 2.64 H new ATOM 0 HE2 LYS A 51 22.306 -0.325 5.598 1.00 3.02 H new ATOM 0 HE3 LYS A 51 21.514 -0.234 7.158 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 21.961 -2.490 6.781 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 20.298 -2.326 6.484 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 21.384 -2.445 5.184 1.00 3.62 H new ATOM 735 N LYS A 52 20.199 -2.820 0.744 1.00 1.89 N ATOM 736 CA LYS A 52 19.893 -4.255 0.664 1.00 2.02 C ATOM 737 C LYS A 52 19.402 -4.808 2.002 1.00 1.85 C ATOM 738 O LYS A 52 20.079 -5.621 2.633 1.00 2.17 O ATOM 739 CB LYS A 52 21.121 -5.042 0.197 1.00 2.50 C ATOM 740 CG LYS A 52 22.329 -4.898 1.109 1.00 2.79 C ATOM 741 CD LYS A 52 23.280 -3.821 0.611 1.00 2.92 C ATOM 742 CE LYS A 52 24.715 -4.116 1.015 1.00 2.95 C ATOM 743 NZ LYS A 52 24.871 -4.194 2.494 1.00 3.19 N ATOM 0 H LYS A 52 19.982 -2.301 -0.107 1.00 1.89 H new ATOM 0 HA LYS A 52 19.090 -4.373 -0.064 1.00 2.02 H new ATOM 0 HB2 LYS A 52 20.858 -6.097 0.123 1.00 2.50 H new ATOM 0 HB3 LYS A 52 21.393 -4.711 -0.805 1.00 2.50 H new ATOM 0 HG2 LYS A 52 21.997 -4.653 2.118 1.00 2.79 H new ATOM 0 HG3 LYS A 52 22.856 -5.850 1.169 1.00 2.79 H new ATOM 0 HD2 LYS A 52 23.214 -3.749 -0.475 1.00 2.92 H new ATOM 0 HD3 LYS A 52 22.979 -2.854 1.013 1.00 2.92 H new ATOM 0 HE2 LYS A 52 25.032 -5.057 0.566 1.00 2.95 H new ATOM 0 HE3 LYS A 52 25.370 -3.339 0.621 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 25.880 -4.278 2.733 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 24.483 -3.333 2.930 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 24.360 -5.025 2.854 1.00 3.19 H new ATOM 757 N PRO A 53 18.218 -4.371 2.457 1.00 1.54 N ATOM 758 CA PRO A 53 17.650 -4.824 3.727 1.00 1.53 C ATOM 759 C PRO A 53 17.131 -6.248 3.673 1.00 1.70 C ATOM 760 O PRO A 53 16.133 -6.525 3.005 1.00 2.18 O ATOM 761 CB PRO A 53 16.474 -3.877 3.962 1.00 1.31 C ATOM 762 CG PRO A 53 16.085 -3.408 2.600 1.00 1.55 C ATOM 763 CD PRO A 53 17.346 -3.396 1.775 1.00 1.49 C ATOM 0 HA PRO A 53 18.407 -4.814 4.511 1.00 1.53 H new ATOM 0 HB2 PRO A 53 15.647 -4.388 4.456 1.00 1.31 H new ATOM 0 HB3 PRO A 53 16.760 -3.042 4.601 1.00 1.31 H new ATOM 0 HG2 PRO A 53 15.340 -4.071 2.160 1.00 1.55 H new ATOM 0 HG3 PRO A 53 15.641 -2.414 2.644 1.00 1.55 H new ATOM 0 HD2 PRO A 53 17.152 -3.686 0.742 1.00 1.49 H new ATOM 0 HD3 PRO A 53 17.798 -2.404 1.748 1.00 1.49 H new ATOM 771 N TYR A 54 17.764 -7.146 4.420 1.00 1.87 N ATOM 772 CA TYR A 54 17.292 -8.521 4.480 1.00 2.10 C ATOM 773 C TYR A 54 15.841 -8.507 4.954 1.00 1.75 C ATOM 774 O TYR A 54 15.065 -9.423 4.682 1.00 2.06 O ATOM 775 CB TYR A 54 18.161 -9.353 5.424 1.00 2.60 C ATOM 776 CG TYR A 54 19.490 -9.754 4.823 1.00 3.05 C ATOM 777 CD1 TYR A 54 20.557 -8.864 4.790 1.00 3.32 C ATOM 778 CD2 TYR A 54 19.680 -11.023 4.292 1.00 3.73 C ATOM 779 CE1 TYR A 54 21.773 -9.228 4.242 1.00 3.91 C ATOM 780 CE2 TYR A 54 20.892 -11.395 3.744 1.00 4.38 C ATOM 781 CZ TYR A 54 21.936 -10.493 3.721 1.00 4.33 C ATOM 782 OH TYR A 54 23.145 -10.860 3.177 1.00 5.08 O ATOM 0 H TYR A 54 18.592 -6.950 4.983 1.00 1.87 H new ATOM 0 HA TYR A 54 17.356 -8.978 3.492 1.00 2.10 H new ATOM 0 HB2 TYR A 54 18.340 -8.784 6.336 1.00 2.60 H new ATOM 0 HB3 TYR A 54 17.615 -10.252 5.711 1.00 2.60 H new ATOM 0 HD1 TYR A 54 20.434 -7.872 5.199 1.00 3.32 H new ATOM 0 HD2 TYR A 54 18.865 -11.732 4.308 1.00 3.73 H new ATOM 0 HE1 TYR A 54 22.592 -8.524 4.222 1.00 3.91 H new ATOM 0 HE2 TYR A 54 21.022 -12.386 3.336 1.00 4.38 H new ATOM 0 HH TYR A 54 23.092 -11.784 2.856 1.00 5.08 H new ATOM 792 N GLU A 55 15.492 -7.422 5.650 1.00 1.38 N ATOM 793 CA GLU A 55 14.150 -7.207 6.162 1.00 1.41 C ATOM 794 C GLU A 55 14.052 -5.810 6.762 1.00 1.82 C ATOM 795 O GLU A 55 14.529 -5.562 7.870 1.00 2.76 O ATOM 796 CB GLU A 55 13.785 -8.270 7.201 1.00 1.83 C ATOM 797 CG GLU A 55 12.449 -8.023 7.883 1.00 2.25 C ATOM 798 CD GLU A 55 12.092 -9.110 8.877 1.00 2.84 C ATOM 799 OE1 GLU A 55 12.060 -10.293 8.478 1.00 3.44 O ATOM 800 OE2 GLU A 55 11.846 -8.780 10.057 1.00 3.23 O ATOM 0 H GLU A 55 16.142 -6.668 5.872 1.00 1.38 H new ATOM 0 HA GLU A 55 13.440 -7.292 5.339 1.00 1.41 H new ATOM 0 HB2 GLU A 55 13.761 -9.246 6.716 1.00 1.83 H new ATOM 0 HB3 GLU A 55 14.568 -8.309 7.958 1.00 1.83 H new ATOM 0 HG2 GLU A 55 12.480 -7.062 8.397 1.00 2.25 H new ATOM 0 HG3 GLU A 55 11.666 -7.956 7.127 1.00 2.25 H new ATOM 807 N GLU A 56 13.446 -4.897 6.010 1.00 1.48 N ATOM 808 CA GLU A 56 13.300 -3.517 6.450 1.00 2.23 C ATOM 809 C GLU A 56 12.247 -2.801 5.606 1.00 1.95 C ATOM 810 O GLU A 56 11.274 -3.419 5.171 1.00 2.10 O ATOM 811 CB GLU A 56 14.651 -2.798 6.357 1.00 3.00 C ATOM 812 CG GLU A 56 14.866 -1.761 7.447 1.00 3.90 C ATOM 813 CD GLU A 56 15.918 -0.734 7.075 1.00 4.81 C ATOM 814 OE1 GLU A 56 16.135 -0.517 5.864 1.00 5.23 O ATOM 815 OE2 GLU A 56 16.526 -0.146 7.995 1.00 5.45 O ATOM 0 H GLU A 56 13.048 -5.090 5.091 1.00 1.48 H new ATOM 0 HA GLU A 56 12.969 -3.505 7.488 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.450 -3.537 6.408 1.00 3.00 H new ATOM 0 HB3 GLU A 56 14.728 -2.312 5.385 1.00 3.00 H new ATOM 0 HG2 GLU A 56 13.924 -1.253 7.651 1.00 3.90 H new ATOM 0 HG3 GLU A 56 15.163 -2.263 8.368 1.00 3.90 H new ATOM 822 N VAL A 57 12.429 -1.504 5.377 1.00 1.67 N ATOM 823 CA VAL A 57 11.471 -0.738 4.588 1.00 1.42 C ATOM 824 C VAL A 57 11.985 -0.487 3.175 1.00 1.40 C ATOM 825 O VAL A 57 13.032 0.131 2.980 1.00 1.59 O ATOM 826 CB VAL A 57 11.153 0.623 5.239 1.00 1.41 C ATOM 827 CG1 VAL A 57 9.925 1.261 4.600 1.00 1.30 C ATOM 828 CG2 VAL A 57 10.968 0.472 6.742 1.00 1.54 C ATOM 0 H VAL A 57 13.223 -0.966 5.723 1.00 1.67 H new ATOM 0 HA VAL A 57 10.563 -1.340 4.546 1.00 1.42 H new ATOM 0 HB VAL A 57 12.001 1.286 5.067 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.723 2.220 5.078 1.00 1.30 H new ATOM 0 HG12 VAL A 57 10.108 1.417 3.537 1.00 1.30 H new ATOM 0 HG13 VAL A 57 9.065 0.603 4.728 1.00 1.30 H new ATOM 0 HG21 VAL A 57 10.745 1.445 7.181 1.00 1.54 H new ATOM 0 HG22 VAL A 57 10.144 -0.213 6.940 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.883 0.077 7.183 1.00 1.54 H new ATOM 838 N THR A 58 11.224 -0.952 2.195 1.00 1.27 N ATOM 839 CA THR A 58 11.575 -0.762 0.792 1.00 1.34 C ATOM 840 C THR A 58 11.084 0.604 0.336 1.00 1.12 C ATOM 841 O THR A 58 10.257 1.216 1.012 1.00 1.30 O ATOM 842 CB THR A 58 10.956 -1.864 -0.071 1.00 1.50 C ATOM 843 OG1 THR A 58 10.631 -2.995 0.717 1.00 2.10 O ATOM 844 CG2 THR A 58 11.865 -2.331 -1.189 1.00 1.84 C ATOM 0 H THR A 58 10.356 -1.466 2.345 1.00 1.27 H new ATOM 0 HA THR A 58 12.658 -0.815 0.682 1.00 1.34 H new ATOM 0 HB THR A 58 10.064 -1.419 -0.511 1.00 1.50 H new ATOM 0 HG1 THR A 58 9.735 -2.882 1.098 1.00 2.10 H new ATOM 0 HG21 THR A 58 11.365 -3.112 -1.762 1.00 1.84 H new ATOM 0 HG22 THR A 58 12.096 -1.492 -1.845 1.00 1.84 H new ATOM 0 HG23 THR A 58 12.789 -2.726 -0.766 1.00 1.84 H new ATOM 852 N CYS A 59 11.585 1.101 -0.789 1.00 0.96 N ATOM 853 CA CYS A 59 11.159 2.416 -1.255 1.00 0.91 C ATOM 854 C CYS A 59 10.889 2.455 -2.755 1.00 0.85 C ATOM 855 O CYS A 59 11.263 1.544 -3.495 1.00 0.97 O ATOM 856 CB CYS A 59 12.216 3.461 -0.896 1.00 1.12 C ATOM 857 SG CYS A 59 13.725 3.385 -1.920 1.00 1.76 S ATOM 0 H CYS A 59 12.268 0.629 -1.382 1.00 0.96 H new ATOM 0 HA CYS A 59 10.218 2.641 -0.753 1.00 0.91 H new ATOM 0 HB2 CYS A 59 11.776 4.454 -0.991 1.00 1.12 H new ATOM 0 HB3 CYS A 59 12.494 3.335 0.150 1.00 1.12 H new ATOM 862 N CYS A 60 10.248 3.539 -3.189 1.00 0.81 N ATOM 863 CA CYS A 60 9.934 3.740 -4.605 1.00 0.92 C ATOM 864 C CYS A 60 9.333 5.118 -4.813 1.00 1.07 C ATOM 865 O CYS A 60 8.213 5.378 -4.367 1.00 1.18 O ATOM 866 CB CYS A 60 8.960 2.678 -5.126 1.00 1.06 C ATOM 867 SG CYS A 60 8.355 3.018 -6.817 1.00 1.28 S ATOM 0 H CYS A 60 9.935 4.294 -2.579 1.00 0.81 H new ATOM 0 HA CYS A 60 10.866 3.651 -5.164 1.00 0.92 H new ATOM 0 HB2 CYS A 60 9.452 1.706 -5.113 1.00 1.06 H new ATOM 0 HB3 CYS A 60 8.108 2.613 -4.449 1.00 1.06 H new ATOM 872 N SER A 61 10.092 5.998 -5.480 1.00 1.42 N ATOM 873 CA SER A 61 9.665 7.366 -5.750 1.00 1.75 C ATOM 874 C SER A 61 8.346 7.673 -5.060 1.00 1.50 C ATOM 875 O SER A 61 8.267 7.708 -3.840 1.00 2.04 O ATOM 876 CB SER A 61 9.570 7.592 -7.266 1.00 2.45 C ATOM 877 OG SER A 61 10.848 7.510 -7.873 1.00 3.07 O ATOM 0 H SER A 61 11.018 5.776 -5.845 1.00 1.42 H new ATOM 0 HA SER A 61 10.408 8.053 -5.344 1.00 1.75 H new ATOM 0 HB2 SER A 61 8.906 6.849 -7.707 1.00 2.45 H new ATOM 0 HB3 SER A 61 9.131 8.570 -7.465 1.00 2.45 H new ATOM 0 HG SER A 61 10.762 7.656 -8.838 1.00 3.07 H new ATOM 883 N THR A 62 7.324 7.870 -5.845 1.00 1.19 N ATOM 884 CA THR A 62 6.001 8.153 -5.328 1.00 1.51 C ATOM 885 C THR A 62 4.928 7.597 -6.268 1.00 1.17 C ATOM 886 O THR A 62 5.142 6.597 -6.952 1.00 1.76 O ATOM 887 CB THR A 62 5.835 9.664 -5.135 1.00 2.24 C ATOM 888 OG1 THR A 62 5.878 10.337 -6.379 1.00 2.63 O ATOM 889 CG2 THR A 62 6.900 10.270 -4.253 1.00 3.17 C ATOM 0 H THR A 62 7.378 7.840 -6.863 1.00 1.19 H new ATOM 0 HA THR A 62 5.882 7.664 -4.361 1.00 1.51 H new ATOM 0 HB THR A 62 4.866 9.789 -4.652 1.00 2.24 H new ATOM 0 HG1 THR A 62 6.385 11.170 -6.283 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.726 11.342 -4.156 1.00 3.17 H new ATOM 0 HG22 THR A 62 6.864 9.806 -3.267 1.00 3.17 H new ATOM 0 HG23 THR A 62 7.881 10.100 -4.698 1.00 3.17 H new ATOM 897 N ASP A 63 3.783 8.260 -6.292 1.00 1.15 N ATOM 898 CA ASP A 63 2.652 7.875 -7.135 1.00 1.03 C ATOM 899 C ASP A 63 2.326 6.392 -7.065 1.00 1.09 C ATOM 900 O ASP A 63 3.014 5.556 -7.647 1.00 1.65 O ATOM 901 CB ASP A 63 2.864 8.295 -8.588 1.00 1.37 C ATOM 902 CG ASP A 63 4.301 8.146 -9.051 1.00 1.72 C ATOM 903 OD1 ASP A 63 4.707 7.008 -9.367 1.00 2.19 O ATOM 904 OD2 ASP A 63 5.019 9.167 -9.100 1.00 2.35 O ATOM 0 H ASP A 63 3.606 9.088 -5.724 1.00 1.15 H new ATOM 0 HA ASP A 63 1.794 8.413 -6.731 1.00 1.03 H new ATOM 0 HB2 ASP A 63 2.218 7.696 -9.230 1.00 1.37 H new ATOM 0 HB3 ASP A 63 2.557 9.334 -8.707 1.00 1.37 H new ATOM 909 N LYS A 64 1.230 6.113 -6.363 1.00 0.90 N ATOM 910 CA LYS A 64 0.688 4.766 -6.173 1.00 0.95 C ATOM 911 C LYS A 64 1.692 3.648 -6.454 1.00 0.92 C ATOM 912 O LYS A 64 1.335 2.632 -7.053 1.00 1.04 O ATOM 913 CB LYS A 64 -0.547 4.576 -7.058 1.00 1.17 C ATOM 914 CG LYS A 64 -1.664 5.565 -6.769 1.00 1.41 C ATOM 915 CD LYS A 64 -3.034 4.956 -7.035 1.00 1.82 C ATOM 916 CE LYS A 64 -3.769 5.698 -8.139 1.00 2.05 C ATOM 917 NZ LYS A 64 -5.236 5.752 -7.891 1.00 2.31 N ATOM 0 H LYS A 64 0.679 6.834 -5.898 1.00 0.90 H new ATOM 0 HA LYS A 64 0.427 4.690 -5.117 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.252 4.670 -8.103 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -0.927 3.563 -6.924 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -1.605 5.889 -5.730 1.00 1.41 H new ATOM 0 HG3 LYS A 64 -1.534 6.453 -7.387 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -2.920 3.908 -7.313 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -3.628 4.980 -6.121 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -3.377 6.712 -8.218 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -3.580 5.208 -9.094 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -5.700 6.266 -8.667 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -5.615 4.785 -7.841 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -5.418 6.243 -6.992 1.00 2.31 H new ATOM 931 N CYS A 65 2.932 3.812 -6.008 1.00 0.87 N ATOM 932 CA CYS A 65 3.934 2.763 -6.218 1.00 0.95 C ATOM 933 C CYS A 65 3.941 1.781 -5.045 1.00 0.99 C ATOM 934 O CYS A 65 4.915 1.060 -4.829 1.00 1.20 O ATOM 935 CB CYS A 65 5.340 3.337 -6.414 1.00 1.07 C ATOM 936 SG CYS A 65 6.561 2.075 -6.912 1.00 1.10 S ATOM 0 H CYS A 65 3.266 4.637 -5.511 1.00 0.87 H new ATOM 0 HA CYS A 65 3.654 2.239 -7.132 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.305 4.120 -7.172 1.00 1.07 H new ATOM 0 HB3 CYS A 65 5.668 3.806 -5.486 1.00 1.07 H new ATOM 941 N ASN A 66 2.850 1.763 -4.286 1.00 0.97 N ATOM 942 CA ASN A 66 2.733 0.880 -3.136 1.00 1.10 C ATOM 943 C ASN A 66 2.177 -0.512 -3.488 1.00 1.10 C ATOM 944 O ASN A 66 2.352 -1.457 -2.720 1.00 1.36 O ATOM 945 CB ASN A 66 1.863 1.543 -2.066 1.00 1.36 C ATOM 946 CG ASN A 66 2.671 1.973 -0.855 1.00 1.42 C ATOM 947 OD1 ASN A 66 3.703 1.381 -0.541 1.00 2.26 O ATOM 948 ND2 ASN A 66 2.206 3.012 -0.170 1.00 1.30 N ATOM 0 H ASN A 66 2.034 2.352 -4.449 1.00 0.97 H new ATOM 0 HA ASN A 66 3.742 0.718 -2.756 1.00 1.10 H new ATOM 0 HB2 ASN A 66 1.363 2.412 -2.494 1.00 1.36 H new ATOM 0 HB3 ASN A 66 1.083 0.849 -1.753 1.00 1.36 H new ATOM 0 HD21 ASN A 66 2.709 3.348 0.651 1.00 1.30 H new ATOM 0 HD22 ASN A 66 1.346 3.474 -0.465 1.00 1.30 H new ATOM 955 N PRO A 67 1.500 -0.670 -4.639 1.00 1.16 N ATOM 956 CA PRO A 67 0.930 -1.958 -5.048 1.00 1.40 C ATOM 957 C PRO A 67 1.942 -3.094 -4.966 1.00 1.32 C ATOM 958 O PRO A 67 3.083 -2.960 -5.407 1.00 2.15 O ATOM 959 CB PRO A 67 0.502 -1.709 -6.495 1.00 1.82 C ATOM 960 CG PRO A 67 0.220 -0.249 -6.541 1.00 1.96 C ATOM 961 CD PRO A 67 1.228 0.382 -5.624 1.00 1.39 C ATOM 0 HA PRO A 67 0.112 -2.271 -4.399 1.00 1.40 H new ATOM 0 HB2 PRO A 67 1.288 -1.986 -7.197 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -0.380 -2.294 -6.757 1.00 1.82 H new ATOM 0 HG2 PRO A 67 0.316 0.138 -7.556 1.00 1.96 H new ATOM 0 HG3 PRO A 67 -0.797 -0.035 -6.213 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.131 0.673 -6.160 1.00 1.39 H new ATOM 0 HD3 PRO A 67 0.833 1.282 -5.152 1.00 1.39 H new ATOM 969 N HIS A 68 1.515 -4.209 -4.384 1.00 1.17 N ATOM 970 CA HIS A 68 2.382 -5.372 -4.224 1.00 1.35 C ATOM 971 C HIS A 68 2.159 -6.388 -5.346 1.00 1.64 C ATOM 972 O HIS A 68 3.089 -6.722 -6.079 1.00 1.88 O ATOM 973 CB HIS A 68 2.162 -6.039 -2.856 1.00 1.54 C ATOM 974 CG HIS A 68 1.189 -5.321 -1.965 1.00 1.41 C ATOM 975 ND1 HIS A 68 1.188 -3.952 -1.793 1.00 1.87 N ATOM 976 CD2 HIS A 68 0.176 -5.791 -1.198 1.00 1.36 C ATOM 977 CE1 HIS A 68 0.218 -3.613 -0.960 1.00 2.07 C ATOM 978 NE2 HIS A 68 -0.410 -4.711 -0.587 1.00 1.71 N ATOM 0 H HIS A 68 0.572 -4.333 -4.014 1.00 1.17 H new ATOM 0 HA HIS A 68 3.412 -5.021 -4.278 1.00 1.35 H new ATOM 0 HB2 HIS A 68 1.807 -7.057 -3.015 1.00 1.54 H new ATOM 0 HB3 HIS A 68 3.121 -6.112 -2.343 1.00 1.54 H new ATOM 0 HD1 HIS A 68 1.835 -3.302 -2.239 1.00 1.87 H new ATOM 0 HD2 HIS A 68 -0.116 -6.825 -1.088 1.00 1.36 H new ATOM 0 HE1 HIS A 68 -0.019 -2.609 -0.640 1.00 2.07 H new ATOM 987 N PRO A 69 0.923 -6.901 -5.494 1.00 2.29 N ATOM 988 CA PRO A 69 0.600 -7.881 -6.531 1.00 2.71 C ATOM 989 C PRO A 69 0.332 -7.235 -7.885 1.00 2.34 C ATOM 990 O PRO A 69 0.070 -6.035 -7.971 1.00 3.02 O ATOM 991 CB PRO A 69 -0.666 -8.538 -5.989 1.00 3.76 C ATOM 992 CG PRO A 69 -1.345 -7.463 -5.211 1.00 4.04 C ATOM 993 CD PRO A 69 -0.255 -6.571 -4.667 1.00 3.10 C ATOM 0 HA PRO A 69 1.421 -8.575 -6.715 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -1.300 -8.903 -6.797 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -0.429 -9.395 -5.358 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -2.028 -6.898 -5.845 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -1.939 -7.887 -4.401 1.00 4.04 H new ATOM 0 HD2 PRO A 69 -0.521 -5.518 -4.754 1.00 3.10 H new ATOM 0 HD3 PRO A 69 -0.069 -6.767 -3.611 1.00 3.10 H new ATOM 1001 N LYS A 70 0.396 -8.039 -8.942 1.00 2.00 N ATOM 1002 CA LYS A 70 0.159 -7.546 -10.294 1.00 2.33 C ATOM 1003 C LYS A 70 -1.052 -8.234 -10.918 1.00 2.26 C ATOM 1004 O LYS A 70 -0.912 -9.114 -11.767 1.00 2.99 O ATOM 1005 CB LYS A 70 1.396 -7.772 -11.166 1.00 3.09 C ATOM 1006 CG LYS A 70 1.251 -7.235 -12.581 1.00 3.73 C ATOM 1007 CD LYS A 70 1.329 -5.716 -12.610 1.00 4.47 C ATOM 1008 CE LYS A 70 0.436 -5.132 -13.694 1.00 5.07 C ATOM 1009 NZ LYS A 70 1.139 -4.089 -14.489 1.00 5.67 N ATOM 0 H LYS A 70 0.610 -9.035 -8.888 1.00 2.00 H new ATOM 0 HA LYS A 70 -0.044 -6.477 -10.235 1.00 2.33 H new ATOM 0 HB2 LYS A 70 2.255 -7.297 -10.693 1.00 3.09 H new ATOM 0 HB3 LYS A 70 1.607 -8.840 -11.212 1.00 3.09 H new ATOM 0 HG2 LYS A 70 2.035 -7.653 -13.212 1.00 3.73 H new ATOM 0 HG3 LYS A 70 0.298 -7.560 -12.999 1.00 3.73 H new ATOM 0 HD2 LYS A 70 1.033 -5.317 -11.640 1.00 4.47 H new ATOM 0 HD3 LYS A 70 2.360 -5.407 -12.781 1.00 4.47 H new ATOM 0 HE2 LYS A 70 0.101 -5.930 -14.357 1.00 5.07 H new ATOM 0 HE3 LYS A 70 -0.455 -4.701 -13.237 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 0.497 -3.716 -15.217 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 1.437 -3.316 -13.861 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 1.975 -4.506 -14.946 1.00 5.67 H new ATOM 1023 N GLN A 71 -2.241 -7.824 -10.489 1.00 2.06 N ATOM 1024 CA GLN A 71 -3.480 -8.397 -11.002 1.00 2.50 C ATOM 1025 C GLN A 71 -4.053 -7.533 -12.126 1.00 1.86 C ATOM 1026 O GLN A 71 -3.336 -6.737 -12.731 1.00 2.31 O ATOM 1027 CB GLN A 71 -4.497 -8.546 -9.865 1.00 3.57 C ATOM 1028 CG GLN A 71 -5.052 -7.222 -9.362 1.00 4.33 C ATOM 1029 CD GLN A 71 -6.184 -7.404 -8.372 1.00 5.35 C ATOM 1030 OE1 GLN A 71 -7.252 -6.809 -8.515 1.00 5.85 O ATOM 1031 NE2 GLN A 71 -5.958 -8.231 -7.359 1.00 6.01 N ATOM 0 H GLN A 71 -2.373 -7.096 -9.787 1.00 2.06 H new ATOM 0 HA GLN A 71 -3.264 -9.383 -11.413 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -5.323 -9.169 -10.208 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -4.025 -9.071 -9.034 1.00 3.57 H new ATOM 0 HG2 GLN A 71 -4.251 -6.652 -8.892 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -5.406 -6.635 -10.210 1.00 4.33 H new ATOM 0 HE21 GLN A 71 -5.058 -8.704 -7.278 1.00 6.01 H new ATOM 0 HE22 GLN A 71 -6.684 -8.393 -6.661 1.00 6.01 H new ATOM 1040 N ARG A 72 -5.348 -7.691 -12.400 1.00 1.67 N ATOM 1041 CA ARG A 72 -6.012 -6.926 -13.451 1.00 1.59 C ATOM 1042 C ARG A 72 -5.475 -7.306 -14.830 1.00 1.44 C ATOM 1043 O ARG A 72 -4.460 -6.771 -15.277 1.00 1.86 O ATOM 1044 CB ARG A 72 -5.829 -5.422 -13.217 1.00 2.48 C ATOM 1045 CG ARG A 72 -6.556 -4.557 -14.232 1.00 3.28 C ATOM 1046 CD ARG A 72 -6.938 -3.209 -13.643 1.00 4.14 C ATOM 1047 NE ARG A 72 -7.199 -2.213 -14.679 1.00 4.72 N ATOM 1048 CZ ARG A 72 -6.246 -1.553 -15.331 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -4.967 -1.780 -15.058 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -6.571 -0.664 -16.258 1.00 6.26 N ATOM 0 H ARG A 72 -5.957 -8.343 -11.907 1.00 1.67 H new ATOM 0 HA ARG A 72 -7.075 -7.165 -13.417 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -6.185 -5.172 -12.218 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -4.765 -5.185 -13.245 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -5.921 -4.407 -15.105 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -7.453 -5.073 -14.575 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -7.824 -3.324 -13.019 1.00 4.14 H new ATOM 0 HD3 ARG A 72 -6.136 -2.856 -12.995 1.00 4.14 H new ATOM 0 HE ARG A 72 -8.170 -2.012 -14.917 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -4.711 -2.463 -14.345 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -4.240 -1.271 -15.561 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -7.552 -0.486 -16.472 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -5.840 -0.158 -16.758 1.00 6.26 H new ATOM 1064 N PRO A 73 -6.152 -8.240 -15.522 1.00 2.17 N ATOM 1065 CA PRO A 73 -5.737 -8.690 -16.855 1.00 2.96 C ATOM 1066 C PRO A 73 -5.637 -7.535 -17.847 1.00 2.97 C ATOM 1067 O PRO A 73 -5.559 -6.370 -17.457 1.00 3.20 O ATOM 1068 CB PRO A 73 -6.847 -9.657 -17.277 1.00 4.03 C ATOM 1069 CG PRO A 73 -7.485 -10.094 -16.004 1.00 4.11 C ATOM 1070 CD PRO A 73 -7.370 -8.931 -15.063 1.00 3.05 C ATOM 0 HA PRO A 73 -4.746 -9.145 -16.837 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -7.568 -9.168 -17.932 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -6.442 -10.506 -17.827 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -8.529 -10.365 -16.164 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -6.985 -10.974 -15.599 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -8.244 -8.282 -15.117 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -7.280 -9.259 -14.028 1.00 3.05 H new ATOM 1078 N GLY A 74 -5.639 -7.865 -19.135 1.00 3.36 N ATOM 1079 CA GLY A 74 -5.549 -6.846 -20.164 1.00 3.85 C ATOM 1080 C GLY A 74 -6.744 -5.915 -20.165 1.00 4.53 C ATOM 1081 O GLY A 74 -7.855 -6.374 -20.507 1.00 5.10 O ATOM 1082 OXT GLY A 74 -6.572 -4.726 -19.823 1.00 4.92 O ATOM 0 H GLY A 74 -5.701 -8.821 -19.484 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -4.639 -6.264 -20.016 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -5.465 -7.326 -21.139 1.00 3.85 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 -8.969 -20.435 26.670 1.00 3.07 N ATOM 1088 CA ILE B 178 -8.902 -18.972 26.422 1.00 2.53 C ATOM 1089 C ILE B 178 -8.176 -18.671 25.109 1.00 2.20 C ATOM 1090 O ILE B 178 -6.987 -18.351 25.107 1.00 2.61 O ATOM 1091 CB ILE B 178 -8.184 -18.243 27.577 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -8.136 -16.736 27.318 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -6.781 -18.799 27.768 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -8.115 -15.904 28.582 1.00 3.49 C ATOM 0 HA ILE B 178 -9.928 -18.610 26.356 1.00 2.53 H new ATOM 0 HB ILE B 178 -8.749 -18.413 28.493 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -7.250 -16.506 26.727 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -9.001 -16.451 26.720 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -6.290 -18.273 28.587 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -6.840 -19.862 28.003 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -6.207 -18.661 26.852 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -8.081 -14.846 28.321 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -9.014 -16.105 29.165 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -7.235 -16.161 29.172 1.00 3.49 H new ATOM 1108 N PRO B 179 -8.886 -18.771 23.972 1.00 2.20 N ATOM 1109 CA PRO B 179 -8.303 -18.508 22.651 1.00 2.43 C ATOM 1110 C PRO B 179 -7.690 -17.115 22.559 1.00 2.12 C ATOM 1111 O PRO B 179 -7.479 -16.451 23.573 1.00 2.52 O ATOM 1112 CB PRO B 179 -9.496 -18.631 21.698 1.00 3.31 C ATOM 1113 CG PRO B 179 -10.486 -19.470 22.426 1.00 3.56 C ATOM 1114 CD PRO B 179 -10.309 -19.146 23.883 1.00 2.87 C ATOM 0 HA PRO B 179 -7.489 -19.196 22.422 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -9.910 -17.652 21.456 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -9.203 -19.095 20.756 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -11.502 -19.249 22.097 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -10.313 -20.530 22.238 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -10.961 -18.331 24.197 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -10.541 -20.002 24.517 1.00 2.87 H new ATOM 1122 N GLY B 180 -7.404 -16.681 21.337 1.00 2.20 N ATOM 1123 CA GLY B 180 -6.817 -15.369 21.136 1.00 2.49 C ATOM 1124 C GLY B 180 -6.240 -15.197 19.745 1.00 2.05 C ATOM 1125 O GLY B 180 -5.136 -15.662 19.462 1.00 2.79 O ATOM 0 H GLY B 180 -7.568 -17.213 20.482 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -7.575 -14.605 21.308 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -6.031 -15.210 21.874 1.00 2.49 H new ATOM 1129 N LYS B 181 -6.987 -14.526 18.875 1.00 1.68 N ATOM 1130 CA LYS B 181 -6.542 -14.292 17.507 1.00 2.16 C ATOM 1131 C LYS B 181 -5.796 -12.965 17.398 1.00 1.86 C ATOM 1132 O LYS B 181 -6.354 -11.962 16.952 1.00 2.39 O ATOM 1133 CB LYS B 181 -7.736 -14.300 16.551 1.00 3.11 C ATOM 1134 CG LYS B 181 -8.181 -15.697 16.145 1.00 3.99 C ATOM 1135 CD LYS B 181 -8.934 -16.389 17.271 1.00 4.80 C ATOM 1136 CE LYS B 181 -10.071 -17.243 16.735 1.00 5.59 C ATOM 1137 NZ LYS B 181 -10.648 -18.125 17.788 1.00 6.37 N ATOM 0 H LYS B 181 -7.903 -14.135 19.093 1.00 1.68 H new ATOM 0 HA LYS B 181 -5.860 -15.096 17.230 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -8.572 -13.784 17.023 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -7.478 -13.735 15.655 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -8.819 -15.635 15.263 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -7.310 -16.292 15.868 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -8.246 -17.013 17.841 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -9.331 -15.642 17.958 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -10.852 -16.597 16.334 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -9.708 -17.854 15.909 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -11.420 -18.691 17.382 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -9.909 -18.759 18.153 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -11.018 -17.541 18.565 1.00 6.37 H new ATOM 1151 N ARG B 182 -4.533 -12.968 17.814 1.00 1.81 N ATOM 1152 CA ARG B 182 -3.702 -11.784 17.775 1.00 1.93 C ATOM 1153 C ARG B 182 -3.747 -11.109 16.402 1.00 1.94 C ATOM 1154 O ARG B 182 -4.240 -11.682 15.432 1.00 2.65 O ATOM 1155 CB ARG B 182 -2.274 -12.187 18.178 1.00 2.78 C ATOM 1156 CG ARG B 182 -1.221 -12.089 17.078 1.00 3.51 C ATOM 1157 CD ARG B 182 -0.715 -13.464 16.671 1.00 4.27 C ATOM 1158 NE ARG B 182 -1.809 -14.408 16.463 1.00 4.96 N ATOM 1159 CZ ARG B 182 -1.659 -15.731 16.466 1.00 5.70 C ATOM 1160 NH1 ARG B 182 -0.461 -16.270 16.663 1.00 5.93 N ATOM 1161 NH2 ARG B 182 -2.709 -16.517 16.274 1.00 6.51 N ATOM 0 H ARG B 182 -4.064 -13.794 18.186 1.00 1.81 H new ATOM 0 HA ARG B 182 -4.079 -11.043 18.480 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -1.961 -11.558 19.012 1.00 2.78 H new ATOM 0 HB3 ARG B 182 -2.296 -13.214 18.544 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -1.645 -11.584 16.210 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -0.386 -11.480 17.425 1.00 3.51 H new ATOM 0 HD2 ARG B 182 -0.130 -13.379 15.755 1.00 4.27 H new ATOM 0 HD3 ARG B 182 -0.046 -13.847 17.442 1.00 4.27 H new ATOM 0 HE ARG B 182 -2.744 -14.032 16.306 1.00 4.96 H new ATOM 0 HH11 ARG B 182 0.350 -15.670 16.813 1.00 5.93 H new ATOM 0 HH12 ARG B 182 -0.352 -17.284 16.664 1.00 5.93 H new ATOM 0 HH21 ARG B 182 -3.631 -16.108 16.124 1.00 6.51 H new ATOM 0 HH22 ARG B 182 -2.595 -17.531 16.276 1.00 6.51 H new ATOM 1175 N THR B 183 -3.223 -9.888 16.337 1.00 2.03 N ATOM 1176 CA THR B 183 -3.198 -9.128 15.093 1.00 2.67 C ATOM 1177 C THR B 183 -1.914 -8.310 14.995 1.00 2.51 C ATOM 1178 O THR B 183 -1.945 -7.079 14.989 1.00 3.25 O ATOM 1179 CB THR B 183 -4.417 -8.208 15.007 1.00 3.75 C ATOM 1180 OG1 THR B 183 -5.573 -8.860 15.499 1.00 4.22 O ATOM 1181 CG2 THR B 183 -4.717 -7.743 13.598 1.00 4.70 C ATOM 0 H THR B 183 -2.809 -9.404 17.134 1.00 2.03 H new ATOM 0 HA THR B 183 -3.229 -9.829 14.259 1.00 2.67 H new ATOM 0 HB THR B 183 -4.166 -7.338 15.614 1.00 3.75 H new ATOM 0 HG1 THR B 183 -6.341 -8.255 15.437 1.00 4.22 H new ATOM 0 HG21 THR B 183 -5.593 -7.094 13.608 1.00 4.70 H new ATOM 0 HG22 THR B 183 -3.862 -7.192 13.207 1.00 4.70 H new ATOM 0 HG23 THR B 183 -4.913 -8.607 12.964 1.00 4.70 H new ATOM 1189 N GLU B 184 -0.784 -9.010 14.931 1.00 2.17 N ATOM 1190 CA GLU B 184 0.526 -8.367 14.844 1.00 2.63 C ATOM 1191 C GLU B 184 0.525 -7.208 13.847 1.00 1.99 C ATOM 1192 O GLU B 184 0.575 -6.043 14.238 1.00 2.48 O ATOM 1193 CB GLU B 184 1.592 -9.393 14.450 1.00 3.66 C ATOM 1194 CG GLU B 184 2.624 -9.646 15.537 1.00 4.47 C ATOM 1195 CD GLU B 184 2.028 -10.307 16.765 1.00 5.39 C ATOM 1196 OE1 GLU B 184 1.295 -9.624 17.510 1.00 5.91 O ATOM 1197 OE2 GLU B 184 2.295 -11.508 16.980 1.00 5.92 O ATOM 0 H GLU B 184 -0.749 -10.029 14.938 1.00 2.17 H new ATOM 0 HA GLU B 184 0.758 -7.960 15.828 1.00 2.63 H new ATOM 0 HB2 GLU B 184 1.103 -10.334 14.199 1.00 3.66 H new ATOM 0 HB3 GLU B 184 2.101 -9.048 13.550 1.00 3.66 H new ATOM 0 HG2 GLU B 184 3.418 -10.277 15.139 1.00 4.47 H new ATOM 0 HG3 GLU B 184 3.083 -8.700 15.825 1.00 4.47 H new ATOM 1204 N SER B 185 0.479 -7.537 12.561 1.00 1.62 N ATOM 1205 CA SER B 185 0.485 -6.519 11.516 1.00 1.32 C ATOM 1206 C SER B 185 -0.333 -6.973 10.305 1.00 1.14 C ATOM 1207 O SER B 185 -1.256 -7.776 10.437 1.00 1.33 O ATOM 1208 CB SER B 185 1.929 -6.211 11.105 1.00 1.85 C ATOM 1209 OG SER B 185 2.115 -4.821 10.904 1.00 2.53 O ATOM 0 H SER B 185 0.437 -8.497 12.217 1.00 1.62 H new ATOM 0 HA SER B 185 0.024 -5.612 11.908 1.00 1.32 H new ATOM 0 HB2 SER B 185 2.614 -6.565 11.876 1.00 1.85 H new ATOM 0 HB3 SER B 185 2.173 -6.750 10.190 1.00 1.85 H new ATOM 0 HG SER B 185 2.539 -4.430 11.696 1.00 2.53 H new ATOM 1215 N PHE B 186 0.013 -6.460 9.124 1.00 0.93 N ATOM 1216 CA PHE B 186 -0.690 -6.822 7.898 1.00 0.80 C ATOM 1217 C PHE B 186 0.221 -7.636 7.002 1.00 0.66 C ATOM 1218 O PHE B 186 1.376 -7.269 6.783 1.00 0.75 O ATOM 1219 CB PHE B 186 -1.150 -5.564 7.152 1.00 0.92 C ATOM 1220 CG PHE B 186 -2.088 -5.820 5.992 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -2.867 -6.971 5.932 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -2.212 -4.890 4.967 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -3.734 -7.181 4.883 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -3.082 -5.097 3.927 1.00 1.51 C ATOM 1225 CZ PHE B 186 -3.842 -6.239 3.884 1.00 0.85 C ATOM 0 H PHE B 186 0.774 -5.794 8.993 1.00 0.93 H new ATOM 0 HA PHE B 186 -1.565 -7.416 8.163 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -1.644 -4.899 7.860 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -0.271 -5.037 6.781 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -2.791 -7.708 6.717 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -1.614 -3.991 4.990 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -4.328 -8.082 4.844 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -3.169 -4.361 3.142 1.00 1.51 H new ATOM 0 HZ PHE B 186 -4.527 -6.399 3.064 1.00 0.85 H new ATOM 1235 N TYR B 187 -0.294 -8.733 6.469 1.00 0.91 N ATOM 1236 CA TYR B 187 0.506 -9.557 5.592 1.00 1.05 C ATOM 1237 C TYR B 187 0.540 -8.929 4.204 1.00 1.22 C ATOM 1238 O TYR B 187 0.934 -7.769 4.090 1.00 1.44 O ATOM 1239 CB TYR B 187 0.045 -11.019 5.628 1.00 1.25 C ATOM 1240 CG TYR B 187 1.134 -11.990 6.037 1.00 1.52 C ATOM 1241 CD1 TYR B 187 2.094 -11.644 6.981 1.00 2.13 C ATOM 1242 CD2 TYR B 187 1.202 -13.258 5.472 1.00 2.06 C ATOM 1243 CE1 TYR B 187 3.088 -12.531 7.347 1.00 2.51 C ATOM 1244 CE2 TYR B 187 2.191 -14.151 5.836 1.00 2.50 C ATOM 1245 CZ TYR B 187 3.132 -13.783 6.773 1.00 2.47 C ATOM 1246 OH TYR B 187 4.119 -14.670 7.136 1.00 3.02 O ATOM 0 H TYR B 187 -1.245 -9.065 6.627 1.00 0.91 H new ATOM 0 HA TYR B 187 1.538 -9.593 5.940 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -0.791 -11.110 6.322 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.327 -11.298 4.642 1.00 1.25 H new ATOM 0 HD1 TYR B 187 2.062 -10.665 7.436 1.00 2.13 H new ATOM 0 HD2 TYR B 187 0.468 -13.550 4.735 1.00 2.06 H new ATOM 0 HE1 TYR B 187 3.828 -12.244 8.080 1.00 2.51 H new ATOM 0 HE2 TYR B 187 2.227 -15.133 5.388 1.00 2.50 H new ATOM 0 HH TYR B 187 4.196 -14.692 8.113 1.00 3.02 H new ATOM 1256 N GLU B 188 0.156 -9.628 3.157 1.00 1.44 N ATOM 1257 CA GLU B 188 0.203 -9.021 1.843 1.00 1.78 C ATOM 1258 C GLU B 188 -1.179 -8.576 1.410 1.00 1.81 C ATOM 1259 O GLU B 188 -1.314 -7.904 0.390 1.00 2.15 O ATOM 1260 CB GLU B 188 0.853 -9.955 0.815 1.00 2.16 C ATOM 1261 CG GLU B 188 0.526 -9.618 -0.637 1.00 2.93 C ATOM 1262 CD GLU B 188 1.589 -10.085 -1.616 1.00 3.70 C ATOM 1263 OE1 GLU B 188 2.509 -10.816 -1.194 1.00 4.13 O ATOM 1264 OE2 GLU B 188 1.500 -9.717 -2.805 1.00 4.33 O ATOM 0 H GLU B 188 -0.183 -10.590 3.185 1.00 1.44 H new ATOM 0 HA GLU B 188 0.833 -8.133 1.902 1.00 1.78 H new ATOM 0 HB2 GLU B 188 1.934 -9.925 0.948 1.00 2.16 H new ATOM 0 HB3 GLU B 188 0.535 -10.977 1.019 1.00 2.16 H new ATOM 0 HG2 GLU B 188 -0.428 -10.074 -0.903 1.00 2.93 H new ATOM 0 HG3 GLU B 188 0.402 -8.539 -0.733 1.00 2.93 H new ATOM 1271 N CYS B 189 -2.214 -8.886 2.206 1.00 1.58 N ATOM 1272 CA CYS B 189 -3.550 -8.411 1.840 1.00 1.74 C ATOM 1273 C CYS B 189 -4.743 -9.003 2.565 1.00 1.77 C ATOM 1274 O CYS B 189 -5.613 -8.250 3.005 1.00 1.94 O ATOM 1275 CB CYS B 189 -3.858 -8.641 0.350 1.00 2.02 C ATOM 1276 SG CYS B 189 -5.659 -8.574 -0.056 1.00 2.25 S ATOM 0 H CYS B 189 -2.157 -9.435 3.064 1.00 1.58 H new ATOM 0 HA CYS B 189 -3.460 -7.364 2.131 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -3.333 -7.890 -0.240 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -3.464 -9.613 0.052 1.00 2.02 H new ATOM 1281 N CYS B 190 -4.924 -10.320 2.511 1.00 1.78 N ATOM 1282 CA CYS B 190 -6.209 -10.816 2.999 1.00 2.00 C ATOM 1283 C CYS B 190 -6.328 -12.298 3.407 1.00 2.10 C ATOM 1284 O CYS B 190 -7.413 -12.870 3.298 1.00 2.27 O ATOM 1285 CB CYS B 190 -7.189 -10.519 1.857 1.00 2.26 C ATOM 1286 SG CYS B 190 -6.387 -10.477 0.196 1.00 2.48 S ATOM 0 H CYS B 190 -4.261 -11.014 2.166 1.00 1.78 H new ATOM 0 HA CYS B 190 -6.400 -10.316 3.949 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -7.973 -11.276 1.855 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -7.673 -9.560 2.043 1.00 2.26 H new ATOM 1291 N LYS B 191 -5.279 -12.902 3.932 1.00 2.47 N ATOM 1292 CA LYS B 191 -5.363 -14.286 4.407 1.00 2.86 C ATOM 1293 C LYS B 191 -5.765 -14.306 5.887 1.00 2.35 C ATOM 1294 O LYS B 191 -5.570 -15.304 6.575 1.00 2.77 O ATOM 1295 CB LYS B 191 -4.026 -15.024 4.206 1.00 3.80 C ATOM 1296 CG LYS B 191 -3.135 -15.114 5.450 1.00 4.39 C ATOM 1297 CD LYS B 191 -3.225 -16.481 6.117 1.00 4.90 C ATOM 1298 CE LYS B 191 -1.852 -17.005 6.514 1.00 5.66 C ATOM 1299 NZ LYS B 191 -1.659 -17.000 7.991 1.00 6.10 N ATOM 0 H LYS B 191 -4.363 -12.468 4.043 1.00 2.47 H new ATOM 0 HA LYS B 191 -6.123 -14.804 3.822 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -4.237 -16.035 3.856 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -3.468 -14.523 3.415 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -2.101 -14.914 5.171 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -3.428 -14.343 6.162 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -3.858 -16.413 7.001 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -3.701 -17.187 5.437 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -1.728 -18.020 6.135 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -1.081 -16.393 6.045 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -0.664 -16.793 8.210 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -2.266 -16.272 8.418 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -1.912 -17.932 8.377 1.00 6.10 H new ATOM 1313 N GLU B 192 -6.303 -13.181 6.369 1.00 1.95 N ATOM 1314 CA GLU B 192 -6.707 -13.026 7.766 1.00 2.22 C ATOM 1315 C GLU B 192 -5.529 -12.490 8.580 1.00 1.81 C ATOM 1316 O GLU B 192 -4.380 -12.585 8.147 1.00 2.43 O ATOM 1317 CB GLU B 192 -7.221 -14.344 8.359 1.00 3.14 C ATOM 1318 CG GLU B 192 -8.150 -15.120 7.433 1.00 3.77 C ATOM 1319 CD GLU B 192 -9.390 -15.631 8.141 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -9.397 -15.651 9.389 1.00 5.13 O ATOM 1321 OE2 GLU B 192 -10.355 -16.016 7.444 1.00 5.28 O ATOM 0 H GLU B 192 -6.470 -12.352 5.799 1.00 1.95 H new ATOM 0 HA GLU B 192 -7.531 -12.314 7.808 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -6.368 -14.974 8.612 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -7.747 -14.131 9.290 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -8.449 -14.478 6.604 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -7.608 -15.963 7.005 1.00 3.77 H new ATOM 1328 N PRO B 193 -5.792 -11.903 9.764 1.00 1.51 N ATOM 1329 CA PRO B 193 -4.744 -11.339 10.623 1.00 1.90 C ATOM 1330 C PRO B 193 -3.469 -12.181 10.651 1.00 1.60 C ATOM 1331 O PRO B 193 -3.462 -13.297 11.170 1.00 1.96 O ATOM 1332 CB PRO B 193 -5.415 -11.325 11.992 1.00 2.66 C ATOM 1333 CG PRO B 193 -6.855 -11.082 11.694 1.00 2.76 C ATOM 1334 CD PRO B 193 -7.132 -11.731 10.359 1.00 1.99 C ATOM 0 HA PRO B 193 -4.407 -10.363 10.274 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -5.271 -12.270 12.515 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -5.003 -10.542 12.629 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -7.489 -11.508 12.471 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -7.069 -10.014 11.658 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -7.642 -12.687 10.477 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -7.769 -11.105 9.735 1.00 1.99 H new ATOM 1342 N TYR B 194 -2.389 -11.633 10.088 1.00 1.23 N ATOM 1343 CA TYR B 194 -1.101 -12.327 10.045 1.00 1.39 C ATOM 1344 C TYR B 194 -0.724 -12.857 11.432 1.00 1.45 C ATOM 1345 O TYR B 194 -0.278 -12.098 12.293 1.00 1.96 O ATOM 1346 CB TYR B 194 -0.006 -11.384 9.513 1.00 1.75 C ATOM 1347 CG TYR B 194 1.410 -11.834 9.832 1.00 1.52 C ATOM 1348 CD1 TYR B 194 1.746 -13.182 9.818 1.00 1.91 C ATOM 1349 CD2 TYR B 194 2.400 -10.916 10.163 1.00 2.04 C ATOM 1350 CE1 TYR B 194 3.025 -13.603 10.119 1.00 2.18 C ATOM 1351 CE2 TYR B 194 3.680 -11.333 10.473 1.00 2.43 C ATOM 1352 CZ TYR B 194 3.988 -12.675 10.449 1.00 2.27 C ATOM 1353 OH TYR B 194 5.263 -13.092 10.758 1.00 2.93 O ATOM 0 H TYR B 194 -2.382 -10.709 9.655 1.00 1.23 H new ATOM 0 HA TYR B 194 -1.190 -13.177 9.369 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -0.112 -11.295 8.432 1.00 1.75 H new ATOM 0 HB3 TYR B 194 -0.163 -10.390 9.932 1.00 1.75 H new ATOM 0 HD1 TYR B 194 0.992 -13.914 9.567 1.00 1.91 H new ATOM 0 HD2 TYR B 194 2.165 -9.862 10.178 1.00 2.04 H new ATOM 0 HE1 TYR B 194 3.270 -14.655 10.096 1.00 2.18 H new ATOM 0 HE2 TYR B 194 4.437 -10.608 10.734 1.00 2.43 H new ATOM 0 HH TYR B 194 5.465 -13.917 10.269 1.00 2.93 H new ATOM 1363 N PRO B 195 -0.899 -14.171 11.667 1.00 1.87 N ATOM 1364 CA PRO B 195 -0.584 -14.797 12.941 1.00 2.22 C ATOM 1365 C PRO B 195 0.839 -15.354 12.987 1.00 2.24 C ATOM 1366 O PRO B 195 1.714 -14.788 13.642 1.00 2.85 O ATOM 1367 CB PRO B 195 -1.611 -15.931 13.023 1.00 3.25 C ATOM 1368 CG PRO B 195 -2.036 -16.215 11.609 1.00 3.64 C ATOM 1369 CD PRO B 195 -1.424 -15.158 10.719 1.00 2.77 C ATOM 0 HA PRO B 195 -0.630 -14.092 13.771 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -1.176 -16.818 13.484 1.00 3.25 H new ATOM 0 HB3 PRO B 195 -2.465 -15.640 13.635 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -1.707 -17.208 11.304 1.00 3.64 H new ATOM 0 HG3 PRO B 195 -3.123 -16.200 11.527 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -0.634 -15.571 10.091 1.00 2.77 H new ATOM 0 HD3 PRO B 195 -2.165 -14.718 10.051 1.00 2.77 H new ATOM 1377 N ASP B 196 1.063 -16.463 12.289 1.00 2.52 N ATOM 1378 CA ASP B 196 2.379 -17.095 12.255 1.00 3.36 C ATOM 1379 C ASP B 196 2.997 -16.996 10.863 1.00 4.02 C ATOM 1380 O ASP B 196 2.239 -17.058 9.874 1.00 4.44 O ATOM 1381 CB ASP B 196 2.273 -18.561 12.674 1.00 3.87 C ATOM 1382 CG ASP B 196 1.404 -19.372 11.731 1.00 4.51 C ATOM 1383 OD1 ASP B 196 1.919 -19.814 10.684 1.00 5.03 O ATOM 1384 OD2 ASP B 196 0.209 -19.563 12.041 1.00 4.88 O ATOM 0 H ASP B 196 0.351 -16.943 11.739 1.00 2.52 H new ATOM 0 HA ASP B 196 3.025 -16.568 12.957 1.00 3.36 H new ATOM 0 HB2 ASP B 196 3.271 -18.998 12.711 1.00 3.87 H new ATOM 0 HB3 ASP B 196 1.862 -18.619 13.682 1.00 3.87 H new TER 1389 ASP B 196