USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 751 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 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 100:sc= 1.22 USER MOD Set 1.2: A 51 THR OG1 : rot -88:sc= 2.01 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0.469 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.723! C(o=-0.25!,f=-7.6!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0832 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 76:sc= 1.18 USER MOD Single : A 18 TYR OH : rot 58:sc= 1.87 USER MOD Single : A 24 ASN : amide:sc= 1.21 K(o=1.2,f=-0.079) USER MOD Single : A 26 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.52) USER MOD Single : A 28 TYR OH : rot 141:sc= 0.929 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 60 SER OG : rot -64:sc= 1.2 USER MOD Single : A 68 LYS NZ :NH3+ -122:sc= 0.00594 (180deg=-0.191) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.425) USER MOD Single : A 91 LYS NZ :NH3+ -134:sc= 1.24 (180deg=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.977 -13.766 12.011 1.00 0.00 N ATOM 2 CA GLY A 1 6.808 -14.863 11.033 1.00 0.00 C ATOM 3 C GLY A 1 8.102 -15.178 10.316 1.00 0.00 C ATOM 4 O GLY A 1 9.091 -14.467 10.479 1.00 0.00 O ATOM 0 H1 GLY A 1 6.838 -14.134 12.973 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.935 -13.371 11.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.277 -13.021 11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.450 -15.756 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.046 -14.587 10.304 1.00 0.00 H new ATOM 10 N SER A 2 8.100 -16.234 9.520 1.00 0.00 N ATOM 11 CA SER A 2 9.285 -16.636 8.782 1.00 0.00 C ATOM 12 C SER A 2 9.101 -16.375 7.291 1.00 0.00 C ATOM 13 O SER A 2 9.156 -17.297 6.474 1.00 0.00 O ATOM 14 CB SER A 2 9.579 -18.117 9.028 1.00 0.00 C ATOM 15 OG SER A 2 8.822 -18.605 10.126 1.00 0.00 O ATOM 0 H SER A 2 7.287 -16.831 9.368 1.00 0.00 H new ATOM 0 HA SER A 2 10.131 -16.045 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.343 -18.693 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.642 -18.254 9.224 1.00 0.00 H new ATOM 0 HG SER A 2 9.023 -19.554 10.266 1.00 0.00 H new ATOM 21 N MET A 3 8.875 -15.117 6.942 1.00 0.00 N ATOM 22 CA MET A 3 8.699 -14.734 5.547 1.00 0.00 C ATOM 23 C MET A 3 9.225 -13.326 5.314 1.00 0.00 C ATOM 24 O MET A 3 8.652 -12.353 5.812 1.00 0.00 O ATOM 25 CB MET A 3 7.225 -14.820 5.140 1.00 0.00 C ATOM 26 CG MET A 3 7.017 -14.770 3.636 1.00 0.00 C ATOM 27 SD MET A 3 5.366 -15.307 3.146 1.00 0.00 S ATOM 28 CE MET A 3 5.762 -16.358 1.753 1.00 0.00 C ATOM 0 H MET A 3 8.809 -14.344 7.604 1.00 0.00 H new ATOM 0 HA MET A 3 9.267 -15.430 4.930 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.801 -15.746 5.529 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.678 -13.999 5.604 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.184 -13.752 3.284 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.760 -15.402 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.843 -16.770 1.335 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.277 -15.773 0.991 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.407 -17.172 2.083 1.00 0.00 H new ATOM 38 N PRO A 4 10.338 -13.207 4.575 1.00 0.00 N ATOM 39 CA PRO A 4 10.957 -11.914 4.265 1.00 0.00 C ATOM 40 C PRO A 4 10.010 -10.983 3.509 1.00 0.00 C ATOM 41 O PRO A 4 9.681 -11.219 2.342 1.00 0.00 O ATOM 42 CB PRO A 4 12.163 -12.284 3.392 1.00 0.00 C ATOM 43 CG PRO A 4 11.893 -13.668 2.911 1.00 0.00 C ATOM 44 CD PRO A 4 11.087 -14.330 3.986 1.00 0.00 C ATOM 0 HA PRO A 4 11.228 -11.369 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.271 -11.592 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.090 -12.241 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.347 -13.653 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.823 -14.207 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.421 -15.091 3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.723 -14.822 4.722 1.00 0.00 H new ATOM 52 N THR A 5 9.584 -9.927 4.186 1.00 0.00 N ATOM 53 CA THR A 5 8.626 -8.982 3.637 1.00 0.00 C ATOM 54 C THR A 5 9.222 -8.157 2.497 1.00 0.00 C ATOM 55 O THR A 5 10.362 -7.697 2.581 1.00 0.00 O ATOM 56 CB THR A 5 8.127 -8.028 4.737 1.00 0.00 C ATOM 57 OG1 THR A 5 8.578 -8.484 6.025 1.00 0.00 O ATOM 58 CG2 THR A 5 6.610 -7.939 4.729 1.00 0.00 C ATOM 0 H THR A 5 9.893 -9.702 5.132 1.00 0.00 H new ATOM 0 HA THR A 5 7.795 -9.566 3.240 1.00 0.00 H new ATOM 0 HB THR A 5 8.534 -7.036 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.258 -7.871 6.719 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.281 -7.259 5.515 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.273 -7.566 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.187 -8.928 4.904 1.00 0.00 H new ATOM 66 N THR A 6 8.452 -7.992 1.429 1.00 0.00 N ATOM 67 CA THR A 6 8.850 -7.134 0.320 1.00 0.00 C ATOM 68 C THR A 6 7.645 -6.371 -0.224 1.00 0.00 C ATOM 69 O THR A 6 6.511 -6.851 -0.137 1.00 0.00 O ATOM 70 CB THR A 6 9.488 -7.948 -0.821 1.00 0.00 C ATOM 71 OG1 THR A 6 9.355 -9.352 -0.555 1.00 0.00 O ATOM 72 CG2 THR A 6 10.958 -7.593 -0.983 1.00 0.00 C ATOM 0 H THR A 6 7.545 -8.443 1.307 1.00 0.00 H new ATOM 0 HA THR A 6 9.589 -6.430 0.703 1.00 0.00 H new ATOM 0 HB THR A 6 8.969 -7.704 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.761 -9.863 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.387 -8.181 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.053 -6.532 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.489 -7.812 -0.057 1.00 0.00 H new ATOM 80 N CYS A 7 7.892 -5.183 -0.769 1.00 0.00 N ATOM 81 CA CYS A 7 6.833 -4.367 -1.344 1.00 0.00 C ATOM 82 C CYS A 7 6.259 -5.034 -2.590 1.00 0.00 C ATOM 83 O CYS A 7 6.996 -5.563 -3.429 1.00 0.00 O ATOM 84 CB CYS A 7 7.371 -2.973 -1.687 1.00 0.00 C ATOM 85 SG CYS A 7 6.097 -1.750 -2.157 1.00 0.00 S ATOM 0 H CYS A 7 8.821 -4.765 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 7 6.034 -4.266 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.921 -2.590 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.084 -3.066 -2.506 1.00 0.00 H new ATOM 90 N GLY A 8 4.941 -5.003 -2.699 1.00 0.00 N ATOM 91 CA GLY A 8 4.273 -5.583 -3.845 1.00 0.00 C ATOM 92 C GLY A 8 4.109 -4.585 -4.971 1.00 0.00 C ATOM 93 O GLY A 8 3.522 -4.896 -6.009 1.00 0.00 O ATOM 0 H GLY A 8 4.317 -4.584 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.843 -6.441 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.293 -5.954 -3.544 1.00 0.00 H new ATOM 97 N PHE A 9 4.620 -3.378 -4.756 1.00 0.00 N ATOM 98 CA PHE A 9 4.577 -2.335 -5.770 1.00 0.00 C ATOM 99 C PHE A 9 5.580 -2.637 -6.878 1.00 0.00 C ATOM 100 O PHE A 9 6.707 -3.055 -6.602 1.00 0.00 O ATOM 101 CB PHE A 9 4.890 -0.971 -5.149 1.00 0.00 C ATOM 102 CG PHE A 9 3.790 0.039 -5.304 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.729 0.069 -4.413 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.820 0.962 -6.337 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.719 1.001 -4.548 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.811 1.896 -6.480 1.00 0.00 C ATOM 107 CZ PHE A 9 1.759 1.916 -5.585 1.00 0.00 C ATOM 0 H PHE A 9 5.070 -3.098 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 9 3.573 -2.308 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.098 -1.106 -4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.798 -0.576 -5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.692 -0.645 -3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.641 0.952 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.899 1.016 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.845 2.609 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.969 2.644 -5.695 1.00 0.00 H new ATOM 117 N PRO A 10 5.176 -2.446 -8.144 1.00 0.00 N ATOM 118 CA PRO A 10 6.064 -2.635 -9.298 1.00 0.00 C ATOM 119 C PRO A 10 7.238 -1.659 -9.273 1.00 0.00 C ATOM 120 O PRO A 10 7.140 -0.542 -9.789 1.00 0.00 O ATOM 121 CB PRO A 10 5.158 -2.366 -10.505 1.00 0.00 C ATOM 122 CG PRO A 10 4.014 -1.576 -9.967 1.00 0.00 C ATOM 123 CD PRO A 10 3.821 -2.039 -8.552 1.00 0.00 C ATOM 0 HA PRO A 10 6.513 -3.628 -9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.689 -1.813 -11.280 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.816 -3.298 -10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.227 -0.508 -10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.113 -1.741 -10.558 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.431 -1.243 -7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.116 -2.868 -8.492 1.00 0.00 H new ATOM 131 N ASN A 11 8.340 -2.100 -8.665 1.00 0.00 N ATOM 132 CA ASN A 11 9.530 -1.271 -8.468 1.00 0.00 C ATOM 133 C ASN A 11 9.232 -0.120 -7.512 1.00 0.00 C ATOM 134 O ASN A 11 8.920 0.999 -7.930 1.00 0.00 O ATOM 135 CB ASN A 11 10.079 -0.733 -9.794 1.00 0.00 C ATOM 136 CG ASN A 11 11.416 -0.034 -9.621 1.00 0.00 C ATOM 137 OD1 ASN A 11 12.402 -0.647 -9.211 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.458 1.254 -9.925 1.00 0.00 N ATOM 0 H ASN A 11 8.433 -3.046 -8.294 1.00 0.00 H new ATOM 0 HA ASN A 11 10.298 -1.907 -8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.190 -1.556 -10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.361 -0.037 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.329 1.774 -9.822 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.619 1.726 -10.262 1.00 0.00 H new ATOM 145 N CYS A 12 9.316 -0.411 -6.223 1.00 0.00 N ATOM 146 CA CYS A 12 9.079 0.584 -5.194 1.00 0.00 C ATOM 147 C CYS A 12 10.244 1.563 -5.122 1.00 0.00 C ATOM 148 O CYS A 12 11.408 1.160 -5.106 1.00 0.00 O ATOM 149 CB CYS A 12 8.885 -0.105 -3.845 1.00 0.00 C ATOM 150 SG CYS A 12 8.654 1.019 -2.434 1.00 0.00 S ATOM 0 H CYS A 12 9.549 -1.337 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 12 8.176 1.141 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.019 -0.763 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.751 -0.737 -3.649 1.00 0.00 H new ATOM 155 N LYS A 13 9.927 2.846 -5.078 1.00 0.00 N ATOM 156 CA LYS A 13 10.950 3.875 -4.975 1.00 0.00 C ATOM 157 C LYS A 13 11.274 4.161 -3.513 1.00 0.00 C ATOM 158 O LYS A 13 12.223 4.877 -3.204 1.00 0.00 O ATOM 159 CB LYS A 13 10.496 5.159 -5.677 1.00 0.00 C ATOM 160 CG LYS A 13 9.570 6.033 -4.835 1.00 0.00 C ATOM 161 CD LYS A 13 8.648 6.872 -5.702 1.00 0.00 C ATOM 162 CE LYS A 13 9.374 8.065 -6.304 1.00 0.00 C ATOM 163 NZ LYS A 13 9.479 7.967 -7.784 1.00 0.00 N ATOM 0 H LYS A 13 8.971 3.200 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 13 11.851 3.511 -5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.376 5.740 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.986 4.894 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.975 5.402 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.166 6.687 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.238 6.254 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.806 7.222 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.847 8.981 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.373 8.136 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.980 8.800 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.004 7.106 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.526 7.926 -8.198 1.00 0.00 H new ATOM 177 N PHE A 14 10.484 3.588 -2.616 1.00 0.00 N ATOM 178 CA PHE A 14 10.622 3.867 -1.197 1.00 0.00 C ATOM 179 C PHE A 14 11.447 2.792 -0.507 1.00 0.00 C ATOM 180 O PHE A 14 12.296 3.098 0.327 1.00 0.00 O ATOM 181 CB PHE A 14 9.244 3.993 -0.547 1.00 0.00 C ATOM 182 CG PHE A 14 8.468 5.188 -1.035 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.875 6.474 -0.712 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.337 5.026 -1.819 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.167 7.573 -1.160 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.624 6.121 -2.269 1.00 0.00 C ATOM 187 CZ PHE A 14 7.041 7.397 -1.940 1.00 0.00 C ATOM 0 H PHE A 14 9.742 2.928 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 14 11.149 4.815 -1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.670 3.088 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.364 4.062 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.755 6.618 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.008 4.031 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.494 8.569 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.742 5.980 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.487 8.255 -2.292 1.00 0.00 H new ATOM 197 N ARG A 15 11.213 1.535 -0.862 1.00 0.00 N ATOM 198 CA ARG A 15 11.996 0.442 -0.300 1.00 0.00 C ATOM 199 C ARG A 15 13.414 0.476 -0.866 1.00 0.00 C ATOM 200 O ARG A 15 14.379 0.144 -0.178 1.00 0.00 O ATOM 201 CB ARG A 15 11.316 -0.913 -0.570 1.00 0.00 C ATOM 202 CG ARG A 15 11.715 -1.569 -1.884 1.00 0.00 C ATOM 203 CD ARG A 15 10.723 -2.645 -2.296 1.00 0.00 C ATOM 204 NE ARG A 15 11.090 -3.280 -3.564 1.00 0.00 N ATOM 205 CZ ARG A 15 10.228 -3.542 -4.554 1.00 0.00 C ATOM 206 NH1 ARG A 15 8.939 -3.246 -4.428 1.00 0.00 N ATOM 207 NH2 ARG A 15 10.658 -4.103 -5.676 1.00 0.00 N ATOM 0 H ARG A 15 10.496 1.249 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 15 12.054 0.567 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.553 -1.593 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.235 -0.771 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.777 -0.812 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.708 -2.007 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.667 -3.403 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.730 -2.206 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 15 12.067 -3.540 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.596 -2.814 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.292 -3.451 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.645 -4.335 -5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.001 -4.303 -6.431 1.00 0.00 H new ATOM 221 N SER A 16 13.533 0.915 -2.114 1.00 0.00 N ATOM 222 CA SER A 16 14.826 1.007 -2.780 1.00 0.00 C ATOM 223 C SER A 16 15.407 2.419 -2.671 1.00 0.00 C ATOM 224 O SER A 16 16.375 2.758 -3.355 1.00 0.00 O ATOM 225 CB SER A 16 14.686 0.595 -4.248 1.00 0.00 C ATOM 226 OG SER A 16 13.544 -0.225 -4.438 1.00 0.00 O ATOM 0 H SER A 16 12.744 1.214 -2.687 1.00 0.00 H new ATOM 0 HA SER A 16 15.517 0.326 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.608 1.484 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.580 0.059 -4.566 1.00 0.00 H new ATOM 0 HG SER A 16 12.736 0.329 -4.413 1.00 0.00 H new ATOM 232 N ARG A 17 14.811 3.241 -1.812 1.00 0.00 N ATOM 233 CA ARG A 17 15.277 4.609 -1.597 1.00 0.00 C ATOM 234 C ARG A 17 16.601 4.619 -0.833 1.00 0.00 C ATOM 235 O ARG A 17 17.372 5.577 -0.902 1.00 0.00 O ATOM 236 CB ARG A 17 14.225 5.403 -0.819 1.00 0.00 C ATOM 237 CG ARG A 17 14.547 6.878 -0.682 1.00 0.00 C ATOM 238 CD ARG A 17 13.666 7.723 -1.584 1.00 0.00 C ATOM 239 NE ARG A 17 12.822 8.638 -0.819 1.00 0.00 N ATOM 240 CZ ARG A 17 11.689 9.172 -1.283 1.00 0.00 C ATOM 241 NH1 ARG A 17 11.273 8.901 -2.517 1.00 0.00 N ATOM 242 NH2 ARG A 17 10.973 9.980 -0.512 1.00 0.00 N ATOM 0 H ARG A 17 14.000 2.982 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 17 15.435 5.074 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.261 5.296 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.119 4.970 0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.412 7.187 0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.594 7.048 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.291 8.294 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.038 7.072 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 17 13.116 8.884 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.820 8.282 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.407 9.312 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.288 10.193 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.108 10.388 -0.866 1.00 0.00 H new ATOM 256 N TYR A 18 16.857 3.545 -0.107 1.00 0.00 N ATOM 257 CA TYR A 18 18.065 3.431 0.692 1.00 0.00 C ATOM 258 C TYR A 18 19.166 2.764 -0.125 1.00 0.00 C ATOM 259 O TYR A 18 19.221 2.920 -1.345 1.00 0.00 O ATOM 260 CB TYR A 18 17.787 2.621 1.965 1.00 0.00 C ATOM 261 CG TYR A 18 16.555 3.063 2.730 1.00 0.00 C ATOM 262 CD1 TYR A 18 15.278 2.711 2.299 1.00 0.00 C ATOM 263 CD2 TYR A 18 16.668 3.817 3.891 1.00 0.00 C ATOM 264 CE1 TYR A 18 14.155 3.102 3.002 1.00 0.00 C ATOM 265 CE2 TYR A 18 15.548 4.206 4.602 1.00 0.00 C ATOM 266 CZ TYR A 18 14.295 3.847 4.152 1.00 0.00 C ATOM 267 OH TYR A 18 13.177 4.222 4.865 1.00 0.00 O ATOM 0 H TYR A 18 16.240 2.734 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 18 18.392 4.430 0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.676 1.571 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.653 2.692 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 18 15.164 2.123 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.647 4.104 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.172 2.825 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 18 15.654 4.788 5.505 1.00 0.00 H new ATOM 0 HH TYR A 18 12.675 3.423 5.130 1.00 0.00 H new ATOM 277 N ARG A 19 20.042 2.028 0.546 1.00 0.00 N ATOM 278 CA ARG A 19 21.077 1.273 -0.146 1.00 0.00 C ATOM 279 C ARG A 19 20.452 0.083 -0.862 1.00 0.00 C ATOM 280 O ARG A 19 20.436 0.021 -2.089 1.00 0.00 O ATOM 281 CB ARG A 19 22.153 0.796 0.835 1.00 0.00 C ATOM 282 CG ARG A 19 23.451 0.384 0.156 1.00 0.00 C ATOM 283 CD ARG A 19 24.274 1.594 -0.252 1.00 0.00 C ATOM 284 NE ARG A 19 24.382 1.724 -1.706 1.00 0.00 N ATOM 285 CZ ARG A 19 25.481 2.135 -2.335 1.00 0.00 C ATOM 286 NH1 ARG A 19 26.573 2.439 -1.645 1.00 0.00 N ATOM 287 NH2 ARG A 19 25.492 2.238 -3.658 1.00 0.00 N ATOM 0 H ARG A 19 20.057 1.938 1.562 1.00 0.00 H new ATOM 0 HA ARG A 19 21.553 1.925 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.362 1.593 1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.766 -0.049 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 19 24.033 -0.242 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.227 -0.219 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 19 23.820 2.496 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 19 25.272 1.515 0.179 1.00 0.00 H new ATOM 0 HE ARG A 19 23.567 1.486 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 19 26.573 2.358 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 19 27.413 2.753 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 19 24.657 2.002 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 19 26.335 2.553 -4.138 1.00 0.00 H new ATOM 301 N GLY A 20 19.929 -0.852 -0.086 1.00 0.00 N ATOM 302 CA GLY A 20 19.226 -1.976 -0.653 1.00 0.00 C ATOM 303 C GLY A 20 17.937 -2.232 0.085 1.00 0.00 C ATOM 304 O GLY A 20 17.073 -1.357 0.161 1.00 0.00 O ATOM 0 H GLY A 20 19.981 -0.850 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.015 -1.785 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.857 -2.864 -0.610 1.00 0.00 H new ATOM 308 N LEU A 21 17.825 -3.409 0.669 1.00 0.00 N ATOM 309 CA LEU A 21 16.630 -3.775 1.409 1.00 0.00 C ATOM 310 C LEU A 21 16.711 -3.264 2.840 1.00 0.00 C ATOM 311 O LEU A 21 16.920 -4.026 3.788 1.00 0.00 O ATOM 312 CB LEU A 21 16.419 -5.289 1.384 1.00 0.00 C ATOM 313 CG LEU A 21 15.524 -5.796 0.248 1.00 0.00 C ATOM 314 CD1 LEU A 21 15.411 -7.310 0.291 1.00 0.00 C ATOM 315 CD2 LEU A 21 14.144 -5.155 0.325 1.00 0.00 C ATOM 0 H LEU A 21 18.547 -4.130 0.646 1.00 0.00 H new ATOM 0 HA LEU A 21 15.772 -3.307 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.391 -5.776 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.984 -5.597 2.335 1.00 0.00 H new ATOM 0 HG LEU A 21 15.982 -5.513 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.772 -7.650 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 16.402 -7.752 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.979 -7.616 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.524 -5.528 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.679 -5.405 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.240 -4.072 0.242 1.00 0.00 H new ATOM 327 N GLU A 22 16.573 -1.957 2.975 1.00 0.00 N ATOM 328 CA GLU A 22 16.511 -1.311 4.273 1.00 0.00 C ATOM 329 C GLU A 22 15.302 -0.403 4.314 1.00 0.00 C ATOM 330 O GLU A 22 15.402 0.765 4.683 1.00 0.00 O ATOM 331 CB GLU A 22 17.772 -0.496 4.553 1.00 0.00 C ATOM 332 CG GLU A 22 18.019 -0.228 6.032 1.00 0.00 C ATOM 333 CD GLU A 22 17.590 -1.376 6.925 1.00 0.00 C ATOM 334 OE1 GLU A 22 16.396 -1.451 7.279 1.00 0.00 O ATOM 335 OE2 GLU A 22 18.452 -2.207 7.285 1.00 0.00 O ATOM 0 H GLU A 22 16.501 -1.314 2.187 1.00 0.00 H new ATOM 0 HA GLU A 22 16.434 -2.082 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.632 -1.023 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.701 0.457 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.080 -0.032 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.482 0.674 6.326 1.00 0.00 H new ATOM 342 N ASP A 23 14.166 -0.950 3.907 1.00 0.00 N ATOM 343 CA ASP A 23 12.907 -0.216 3.905 1.00 0.00 C ATOM 344 C ASP A 23 12.685 0.462 5.250 1.00 0.00 C ATOM 345 O ASP A 23 12.223 1.608 5.310 1.00 0.00 O ATOM 346 CB ASP A 23 11.742 -1.165 3.609 1.00 0.00 C ATOM 347 CG ASP A 23 11.651 -2.299 4.615 1.00 0.00 C ATOM 348 OD1 ASP A 23 12.389 -3.299 4.465 1.00 0.00 O ATOM 349 OD2 ASP A 23 10.863 -2.189 5.577 1.00 0.00 O ATOM 0 H ASP A 23 14.090 -1.910 3.570 1.00 0.00 H new ATOM 0 HA ASP A 23 12.955 0.546 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.808 -0.603 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.860 -1.579 2.608 1.00 0.00 H new ATOM 354 N ASN A 24 13.070 -0.250 6.316 1.00 0.00 N ATOM 355 CA ASN A 24 12.859 0.197 7.695 1.00 0.00 C ATOM 356 C ASN A 24 11.442 0.737 7.876 1.00 0.00 C ATOM 357 O ASN A 24 11.208 1.685 8.629 1.00 0.00 O ATOM 358 CB ASN A 24 13.887 1.271 8.069 1.00 0.00 C ATOM 359 CG ASN A 24 14.585 0.978 9.385 1.00 0.00 C ATOM 360 OD1 ASN A 24 14.324 1.625 10.400 1.00 0.00 O ATOM 361 ND2 ASN A 24 15.486 0.010 9.375 1.00 0.00 N ATOM 0 H ASN A 24 13.537 -1.154 6.245 1.00 0.00 H new ATOM 0 HA ASN A 24 12.988 -0.659 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.631 1.348 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.389 2.238 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.993 -0.224 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.674 -0.503 8.514 1.00 0.00 H new ATOM 368 N ARG A 25 10.498 0.116 7.183 1.00 0.00 N ATOM 369 CA ARG A 25 9.149 0.643 7.095 1.00 0.00 C ATOM 370 C ARG A 25 8.136 -0.288 7.734 1.00 0.00 C ATOM 371 O ARG A 25 8.425 -1.456 8.012 1.00 0.00 O ATOM 372 CB ARG A 25 8.778 0.857 5.628 1.00 0.00 C ATOM 373 CG ARG A 25 8.208 2.230 5.333 1.00 0.00 C ATOM 374 CD ARG A 25 8.835 2.830 4.088 1.00 0.00 C ATOM 375 NE ARG A 25 9.939 3.734 4.407 1.00 0.00 N ATOM 376 CZ ARG A 25 9.779 4.976 4.870 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.561 5.455 5.102 1.00 0.00 N ATOM 378 NH2 ARG A 25 10.841 5.734 5.114 1.00 0.00 N ATOM 0 H ARG A 25 10.645 -0.755 6.673 1.00 0.00 H new ATOM 0 HA ARG A 25 9.127 1.589 7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.665 0.703 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.050 0.101 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.129 2.157 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.381 2.889 6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.198 2.029 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.075 3.372 3.525 1.00 0.00 H new ATOM 0 HE ARG A 25 10.891 3.395 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.742 4.873 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.445 6.405 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.778 5.367 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.720 6.683 5.468 1.00 0.00 H new ATOM 392 N HIS A 26 6.952 0.248 7.980 1.00 0.00 N ATOM 393 CA HIS A 26 5.820 -0.559 8.377 1.00 0.00 C ATOM 394 C HIS A 26 5.160 -1.107 7.126 1.00 0.00 C ATOM 395 O HIS A 26 4.722 -0.348 6.260 1.00 0.00 O ATOM 396 CB HIS A 26 4.813 0.267 9.168 1.00 0.00 C ATOM 397 CG HIS A 26 3.983 -0.533 10.126 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.134 -1.894 10.250 1.00 0.00 N ATOM 399 CD2 HIS A 26 3.001 -0.121 10.960 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.243 -2.274 11.146 1.00 0.00 C ATOM 401 NE2 HIS A 26 2.530 -1.234 11.605 1.00 0.00 N ATOM 0 H HIS A 26 6.754 1.246 7.910 1.00 0.00 H new ATOM 0 HA HIS A 26 6.164 -1.372 9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.348 1.038 9.723 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.151 0.779 8.470 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.654 0.893 11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.105 -3.295 11.470 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.783 -1.266 12.299 1.00 0.00 H new ATOM 409 N PHE A 27 5.100 -2.413 7.034 1.00 0.00 N ATOM 410 CA PHE A 27 4.581 -3.060 5.845 1.00 0.00 C ATOM 411 C PHE A 27 3.110 -3.389 6.027 1.00 0.00 C ATOM 412 O PHE A 27 2.751 -4.310 6.765 1.00 0.00 O ATOM 413 CB PHE A 27 5.386 -4.319 5.521 1.00 0.00 C ATOM 414 CG PHE A 27 6.383 -4.112 4.417 1.00 0.00 C ATOM 415 CD1 PHE A 27 5.985 -3.585 3.200 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.715 -4.439 4.598 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.899 -3.388 2.184 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.633 -4.246 3.585 1.00 0.00 C ATOM 419 CZ PHE A 27 8.225 -3.721 2.377 1.00 0.00 C ATOM 0 H PHE A 27 5.404 -3.053 7.768 1.00 0.00 H new ATOM 0 HA PHE A 27 4.679 -2.374 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.909 -4.649 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.701 -5.119 5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.948 -3.325 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.040 -4.850 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.577 -2.974 1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.670 -4.506 3.739 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.942 -3.571 1.583 1.00 0.00 H new ATOM 429 N TYR A 28 2.270 -2.628 5.351 1.00 0.00 N ATOM 430 CA TYR A 28 0.832 -2.757 5.495 1.00 0.00 C ATOM 431 C TYR A 28 0.300 -3.920 4.684 1.00 0.00 C ATOM 432 O TYR A 28 0.749 -4.175 3.564 1.00 0.00 O ATOM 433 CB TYR A 28 0.135 -1.480 5.041 1.00 0.00 C ATOM 434 CG TYR A 28 0.086 -0.402 6.092 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.098 -0.716 7.433 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.215 0.932 5.742 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.148 0.274 8.394 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.166 1.929 6.697 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.018 1.593 8.021 1.00 0.00 C ATOM 440 OH TYR A 28 -0.080 2.581 8.977 1.00 0.00 O ATOM 0 H TYR A 28 2.562 -1.908 4.691 1.00 0.00 H new ATOM 0 HA TYR A 28 0.626 -2.937 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.647 -1.092 4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.883 -1.723 4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.203 -1.750 7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.356 1.197 4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.288 0.015 9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.271 2.964 6.408 1.00 0.00 H new ATOM 0 HH TYR A 28 0.574 3.280 8.768 1.00 0.00 H new ATOM 450 N ARG A 29 -0.653 -4.627 5.258 1.00 0.00 N ATOM 451 CA ARG A 29 -1.369 -5.653 4.537 1.00 0.00 C ATOM 452 C ARG A 29 -2.589 -5.030 3.877 1.00 0.00 C ATOM 453 O ARG A 29 -3.277 -4.208 4.485 1.00 0.00 O ATOM 454 CB ARG A 29 -1.789 -6.784 5.477 1.00 0.00 C ATOM 455 CG ARG A 29 -2.652 -7.841 4.807 1.00 0.00 C ATOM 456 CD ARG A 29 -1.898 -8.561 3.699 1.00 0.00 C ATOM 457 NE ARG A 29 -2.407 -9.916 3.491 1.00 0.00 N ATOM 458 CZ ARG A 29 -1.758 -10.872 2.824 1.00 0.00 C ATOM 459 NH1 ARG A 29 -0.602 -10.610 2.224 1.00 0.00 N ATOM 460 NH2 ARG A 29 -2.281 -12.089 2.746 1.00 0.00 N ATOM 0 H ARG A 29 -0.948 -4.507 6.227 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.717 -6.080 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.896 -7.259 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.336 -6.361 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.985 -8.565 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.546 -7.374 4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.984 -7.994 2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.838 -8.605 3.949 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.320 -10.146 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.204 -9.672 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.112 -11.347 1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.175 -12.290 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.789 -12.824 2.237 1.00 0.00 H new ATOM 474 N ILE A 30 -2.827 -5.402 2.630 1.00 0.00 N ATOM 475 CA ILE A 30 -3.960 -4.894 1.873 1.00 0.00 C ATOM 476 C ILE A 30 -5.273 -5.162 2.609 1.00 0.00 C ATOM 477 O ILE A 30 -5.627 -6.315 2.864 1.00 0.00 O ATOM 478 CB ILE A 30 -4.011 -5.528 0.464 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.713 -5.236 -0.294 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.209 -5.014 -0.320 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.715 -6.374 -0.252 1.00 0.00 C ATOM 0 H ILE A 30 -2.243 -6.062 2.116 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.830 -3.817 1.769 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.118 -6.607 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.952 -5.012 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.250 -4.343 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.222 -5.475 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.127 -5.267 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.137 -3.932 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.821 -6.095 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.446 -6.584 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.159 -7.264 -0.699 1.00 0.00 H new ATOM 493 N PRO A 31 -5.995 -4.090 2.971 1.00 0.00 N ATOM 494 CA PRO A 31 -7.281 -4.188 3.662 1.00 0.00 C ATOM 495 C PRO A 31 -8.270 -5.043 2.883 1.00 0.00 C ATOM 496 O PRO A 31 -8.317 -4.977 1.659 1.00 0.00 O ATOM 497 CB PRO A 31 -7.778 -2.740 3.720 1.00 0.00 C ATOM 498 CG PRO A 31 -6.570 -1.892 3.544 1.00 0.00 C ATOM 499 CD PRO A 31 -5.601 -2.695 2.726 1.00 0.00 C ATOM 0 HA PRO A 31 -7.182 -4.654 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.510 -2.546 2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.267 -2.532 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.821 -0.958 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.137 -1.628 4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.667 -2.442 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.572 -2.512 3.034 1.00 0.00 H new ATOM 507 N LYS A 32 -9.042 -5.859 3.586 1.00 0.00 N ATOM 508 CA LYS A 32 -10.052 -6.686 2.938 1.00 0.00 C ATOM 509 C LYS A 32 -11.446 -6.193 3.291 1.00 0.00 C ATOM 510 O LYS A 32 -12.447 -6.839 2.988 1.00 0.00 O ATOM 511 CB LYS A 32 -9.891 -8.157 3.334 1.00 0.00 C ATOM 512 CG LYS A 32 -9.634 -8.377 4.817 1.00 0.00 C ATOM 513 CD LYS A 32 -9.056 -9.758 5.080 1.00 0.00 C ATOM 514 CE LYS A 32 -10.146 -10.816 5.133 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.589 -12.183 5.311 1.00 0.00 N ATOM 0 H LYS A 32 -8.990 -5.967 4.599 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.915 -6.607 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.792 -8.700 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.066 -8.587 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.946 -7.616 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.565 -8.259 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.341 -10.010 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.508 -9.751 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.828 -10.593 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.731 -10.780 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.366 -12.873 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.958 -12.407 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.052 -12.226 6.201 1.00 0.00 H new ATOM 529 N ARG A 33 -11.499 -5.035 3.919 1.00 0.00 N ATOM 530 CA ARG A 33 -12.759 -4.448 4.342 1.00 0.00 C ATOM 531 C ARG A 33 -12.652 -2.927 4.385 1.00 0.00 C ATOM 532 O ARG A 33 -11.761 -2.376 5.032 1.00 0.00 O ATOM 533 CB ARG A 33 -13.183 -4.997 5.713 1.00 0.00 C ATOM 534 CG ARG A 33 -12.142 -4.810 6.806 1.00 0.00 C ATOM 535 CD ARG A 33 -12.590 -3.774 7.824 1.00 0.00 C ATOM 536 NE ARG A 33 -12.710 -4.340 9.163 1.00 0.00 N ATOM 537 CZ ARG A 33 -11.837 -4.122 10.144 1.00 0.00 C ATOM 538 NH1 ARG A 33 -10.814 -3.293 9.956 1.00 0.00 N ATOM 539 NH2 ARG A 33 -12.009 -4.703 11.325 1.00 0.00 N ATOM 0 H ARG A 33 -10.677 -4.476 4.150 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.524 -4.721 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.107 -4.507 6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.404 -6.060 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.963 -5.761 7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.196 -4.501 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.876 -2.950 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.550 -3.358 7.519 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.512 -4.939 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.697 -2.823 9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.146 -3.128 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.809 -5.316 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.341 -4.537 12.077 1.00 0.00 H new ATOM 553 N PRO A 34 -13.535 -2.232 3.659 1.00 0.00 N ATOM 554 CA PRO A 34 -14.519 -2.871 2.782 1.00 0.00 C ATOM 555 C PRO A 34 -13.875 -3.464 1.530 1.00 0.00 C ATOM 556 O PRO A 34 -12.739 -3.128 1.178 1.00 0.00 O ATOM 557 CB PRO A 34 -15.464 -1.726 2.417 1.00 0.00 C ATOM 558 CG PRO A 34 -14.642 -0.492 2.551 1.00 0.00 C ATOM 559 CD PRO A 34 -13.654 -0.765 3.653 1.00 0.00 C ATOM 0 HA PRO A 34 -15.019 -3.710 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.846 -1.838 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.327 -1.699 3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.130 -0.262 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.267 0.368 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.694 -0.286 3.458 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.009 -0.388 4.612 1.00 0.00 H new ATOM 567 N LEU A 35 -14.605 -4.347 0.864 1.00 0.00 N ATOM 568 CA LEU A 35 -14.109 -5.014 -0.330 1.00 0.00 C ATOM 569 C LEU A 35 -13.821 -4.002 -1.434 1.00 0.00 C ATOM 570 O LEU A 35 -12.863 -4.153 -2.188 1.00 0.00 O ATOM 571 CB LEU A 35 -15.123 -6.052 -0.821 1.00 0.00 C ATOM 572 CG LEU A 35 -14.541 -7.410 -1.231 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.298 -7.457 -2.730 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.255 -7.707 -0.468 1.00 0.00 C ATOM 0 H LEU A 35 -15.550 -4.619 1.134 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.179 -5.522 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.858 -6.216 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.658 -5.635 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.269 -8.180 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.885 -8.429 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.240 -7.303 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.594 -6.673 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.864 -8.676 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.518 -6.933 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.463 -7.725 0.602 1.00 0.00 H new ATOM 586 N ILE A 36 -14.648 -2.966 -1.516 1.00 0.00 N ATOM 587 CA ILE A 36 -14.448 -1.907 -2.497 1.00 0.00 C ATOM 588 C ILE A 36 -13.132 -1.172 -2.241 1.00 0.00 C ATOM 589 O ILE A 36 -12.425 -0.804 -3.178 1.00 0.00 O ATOM 590 CB ILE A 36 -15.620 -0.899 -2.493 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.933 -1.609 -2.837 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.357 0.237 -3.471 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.908 -2.327 -4.170 1.00 0.00 C ATOM 0 H ILE A 36 -15.462 -2.837 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.408 -2.380 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.705 -0.474 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.163 -2.329 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.740 -0.877 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.194 0.935 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.443 0.759 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.245 -0.168 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.872 -2.805 -4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.710 -1.609 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.124 -3.084 -4.161 1.00 0.00 H new ATOM 605 N LEU A 37 -12.792 -0.987 -0.970 1.00 0.00 N ATOM 606 CA LEU A 37 -11.530 -0.346 -0.605 1.00 0.00 C ATOM 607 C LEU A 37 -10.363 -1.224 -1.031 1.00 0.00 C ATOM 608 O LEU A 37 -9.359 -0.734 -1.545 1.00 0.00 O ATOM 609 CB LEU A 37 -11.473 -0.077 0.901 1.00 0.00 C ATOM 610 CG LEU A 37 -10.067 0.060 1.487 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.569 1.489 1.361 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.054 -0.377 2.939 1.00 0.00 C ATOM 0 H LEU A 37 -13.368 -1.270 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.463 0.611 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.027 0.838 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.987 -0.887 1.418 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.397 -0.588 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.567 1.564 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.541 1.773 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.241 2.157 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.046 -0.273 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.740 0.247 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.367 -1.419 3.008 1.00 0.00 H new ATOM 624 N ARG A 38 -10.517 -2.528 -0.827 1.00 0.00 N ATOM 625 CA ARG A 38 -9.522 -3.495 -1.268 1.00 0.00 C ATOM 626 C ARG A 38 -9.370 -3.422 -2.784 1.00 0.00 C ATOM 627 O ARG A 38 -8.258 -3.428 -3.310 1.00 0.00 O ATOM 628 CB ARG A 38 -9.929 -4.908 -0.842 1.00 0.00 C ATOM 629 CG ARG A 38 -9.096 -6.009 -1.473 1.00 0.00 C ATOM 630 CD ARG A 38 -9.191 -7.301 -0.679 1.00 0.00 C ATOM 631 NE ARG A 38 -8.146 -7.385 0.338 1.00 0.00 N ATOM 632 CZ ARG A 38 -7.530 -8.513 0.696 1.00 0.00 C ATOM 633 NH1 ARG A 38 -7.840 -9.669 0.116 1.00 0.00 N ATOM 634 NH2 ARG A 38 -6.597 -8.483 1.638 1.00 0.00 N ATOM 0 H ARG A 38 -11.324 -2.939 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.565 -3.257 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.852 -4.985 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.976 -5.066 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.434 -6.183 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.055 -5.692 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.169 -7.365 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.110 -8.152 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.868 -6.523 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.555 -9.699 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.362 -10.525 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.353 -7.600 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.124 -9.343 1.915 1.00 0.00 H new ATOM 648 N GLN A 39 -10.504 -3.332 -3.467 1.00 0.00 N ATOM 649 CA GLN A 39 -10.539 -3.216 -4.919 1.00 0.00 C ATOM 650 C GLN A 39 -9.803 -1.957 -5.379 1.00 0.00 C ATOM 651 O GLN A 39 -9.033 -1.991 -6.340 1.00 0.00 O ATOM 652 CB GLN A 39 -11.998 -3.195 -5.394 1.00 0.00 C ATOM 653 CG GLN A 39 -12.204 -2.572 -6.763 1.00 0.00 C ATOM 654 CD GLN A 39 -13.557 -1.907 -6.901 1.00 0.00 C ATOM 655 OE1 GLN A 39 -13.666 -0.682 -6.871 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.601 -2.706 -7.050 1.00 0.00 N ATOM 0 H GLN A 39 -11.426 -3.337 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.033 -4.076 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.376 -4.217 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.596 -2.648 -4.666 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.421 -1.836 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.102 -3.342 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.470 -3.717 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.536 -2.311 -7.145 1.00 0.00 H new ATOM 665 N ARG A 40 -10.035 -0.853 -4.678 1.00 0.00 N ATOM 666 CA ARG A 40 -9.395 0.414 -5.008 1.00 0.00 C ATOM 667 C ARG A 40 -7.907 0.378 -4.670 1.00 0.00 C ATOM 668 O ARG A 40 -7.104 1.062 -5.302 1.00 0.00 O ATOM 669 CB ARG A 40 -10.078 1.565 -4.269 1.00 0.00 C ATOM 670 CG ARG A 40 -11.491 1.844 -4.752 1.00 0.00 C ATOM 671 CD ARG A 40 -11.527 2.976 -5.769 1.00 0.00 C ATOM 672 NE ARG A 40 -12.864 3.556 -5.888 1.00 0.00 N ATOM 673 CZ ARG A 40 -13.186 4.549 -6.718 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.274 5.081 -7.525 1.00 0.00 N ATOM 675 NH2 ARG A 40 -14.430 5.009 -6.741 1.00 0.00 N ATOM 0 H ARG A 40 -10.663 -0.810 -3.876 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.498 0.575 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.106 1.336 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.478 2.468 -4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.908 0.941 -5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.122 2.100 -3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.819 3.751 -5.475 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.205 2.602 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.601 3.175 -5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.316 4.730 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.532 5.840 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.135 4.603 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.681 5.768 -7.374 1.00 0.00 H new ATOM 689 N TRP A 41 -7.547 -0.427 -3.678 1.00 0.00 N ATOM 690 CA TRP A 41 -6.151 -0.598 -3.293 1.00 0.00 C ATOM 691 C TRP A 41 -5.355 -1.213 -4.439 1.00 0.00 C ATOM 692 O TRP A 41 -4.198 -0.860 -4.667 1.00 0.00 O ATOM 693 CB TRP A 41 -6.051 -1.483 -2.046 1.00 0.00 C ATOM 694 CG TRP A 41 -5.727 -0.716 -0.803 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.487 0.257 -0.225 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.554 -0.847 0.010 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.861 0.742 0.894 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.671 0.084 1.060 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.415 -1.654 -0.048 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.700 0.223 2.048 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.447 -1.513 0.932 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.594 -0.579 1.966 1.00 0.00 C ATOM 0 H TRP A 41 -8.205 -0.974 -3.123 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.731 0.382 -3.064 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.995 -2.009 -1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.285 -2.241 -2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.443 0.596 -0.595 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.223 1.475 1.505 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.292 -2.375 -0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.815 0.937 2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.564 -2.134 0.899 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.819 -0.490 2.713 1.00 0.00 H new ATOM 713 N LEU A 42 -6.000 -2.112 -5.177 1.00 0.00 N ATOM 714 CA LEU A 42 -5.359 -2.803 -6.292 1.00 0.00 C ATOM 715 C LEU A 42 -5.057 -1.848 -7.444 1.00 0.00 C ATOM 716 O LEU A 42 -4.198 -2.130 -8.278 1.00 0.00 O ATOM 717 CB LEU A 42 -6.248 -3.938 -6.807 1.00 0.00 C ATOM 718 CG LEU A 42 -6.963 -4.762 -5.736 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.918 -5.750 -6.387 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.956 -5.492 -4.862 1.00 0.00 C ATOM 0 H LEU A 42 -6.972 -2.380 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.420 -3.211 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.999 -3.512 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.635 -4.611 -7.407 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.537 -4.086 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.422 -6.332 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.659 -5.207 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.359 -6.421 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.484 -6.073 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.356 -6.160 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.305 -4.767 -4.373 1.00 0.00 H new ATOM 732 N THR A 43 -5.758 -0.721 -7.468 1.00 0.00 N ATOM 733 CA THR A 43 -5.653 0.249 -8.555 1.00 0.00 C ATOM 734 C THR A 43 -4.206 0.697 -8.799 1.00 0.00 C ATOM 735 O THR A 43 -3.751 0.752 -9.940 1.00 0.00 O ATOM 736 CB THR A 43 -6.537 1.479 -8.257 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.920 1.092 -8.269 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.310 2.597 -9.266 1.00 0.00 C ATOM 0 H THR A 43 -6.415 -0.452 -6.736 1.00 0.00 H new ATOM 0 HA THR A 43 -6.001 -0.246 -9.462 1.00 0.00 H new ATOM 0 HB THR A 43 -6.262 1.858 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.480 1.873 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.951 3.444 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.266 2.910 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.550 2.238 -10.267 1.00 0.00 H new ATOM 746 N ALA A 44 -3.478 0.986 -7.733 1.00 0.00 N ATOM 747 CA ALA A 44 -2.141 1.547 -7.869 1.00 0.00 C ATOM 748 C ALA A 44 -1.073 0.467 -8.032 1.00 0.00 C ATOM 749 O ALA A 44 -0.051 0.691 -8.678 1.00 0.00 O ATOM 750 CB ALA A 44 -1.824 2.428 -6.681 1.00 0.00 C ATOM 0 H ALA A 44 -3.785 0.844 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.130 2.148 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.822 2.843 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.549 3.240 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.872 1.837 -5.766 1.00 0.00 H new ATOM 756 N ILE A 45 -1.308 -0.702 -7.454 1.00 0.00 N ATOM 757 CA ILE A 45 -0.338 -1.793 -7.543 1.00 0.00 C ATOM 758 C ILE A 45 -0.494 -2.559 -8.848 1.00 0.00 C ATOM 759 O ILE A 45 0.444 -3.207 -9.315 1.00 0.00 O ATOM 760 CB ILE A 45 -0.458 -2.795 -6.371 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.682 -2.490 -5.502 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.812 -2.779 -5.533 1.00 0.00 C ATOM 763 CD1 ILE A 45 -2.006 -3.576 -4.495 1.00 0.00 C ATOM 0 H ILE A 45 -2.151 -0.922 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 45 0.644 -1.321 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.590 -3.793 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.514 -1.554 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.546 -2.338 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.715 -3.489 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.662 -3.059 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.970 -1.778 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.884 -3.287 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.208 -4.510 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.159 -3.713 -3.822 1.00 0.00 H new ATOM 775 N GLY A 46 -1.684 -2.477 -9.434 1.00 0.00 N ATOM 776 CA GLY A 46 -1.979 -3.244 -10.626 1.00 0.00 C ATOM 777 C GLY A 46 -2.065 -4.723 -10.317 1.00 0.00 C ATOM 778 O GLY A 46 -1.662 -5.563 -11.122 1.00 0.00 O ATOM 0 H GLY A 46 -2.450 -1.891 -9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.921 -2.904 -11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.206 -3.070 -11.374 1.00 0.00 H new ATOM 782 N ARG A 47 -2.588 -5.037 -9.138 1.00 0.00 N ATOM 783 CA ARG A 47 -2.663 -6.415 -8.678 1.00 0.00 C ATOM 784 C ARG A 47 -4.094 -6.928 -8.716 1.00 0.00 C ATOM 785 O ARG A 47 -5.046 -6.146 -8.746 1.00 0.00 O ATOM 786 CB ARG A 47 -2.119 -6.524 -7.254 1.00 0.00 C ATOM 787 CG ARG A 47 -0.602 -6.554 -7.183 1.00 0.00 C ATOM 788 CD ARG A 47 -0.035 -7.813 -7.816 1.00 0.00 C ATOM 789 NE ARG A 47 0.744 -7.517 -9.017 1.00 0.00 N ATOM 790 CZ ARG A 47 0.582 -8.133 -10.189 1.00 0.00 C ATOM 791 NH1 ARG A 47 -0.334 -9.084 -10.330 1.00 0.00 N ATOM 792 NH2 ARG A 47 1.342 -7.795 -11.222 1.00 0.00 N ATOM 0 H ARG A 47 -2.967 -4.353 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.058 -7.026 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.485 -5.681 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.514 -7.428 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.197 -5.678 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.285 -6.496 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.596 -8.330 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.850 -8.490 -8.070 1.00 0.00 H new ATOM 0 HE ARG A 47 1.458 -6.792 -8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.920 -9.349 -9.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.451 -9.550 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.048 -7.066 -11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.221 -8.264 -12.120 1.00 0.00 H new ATOM 806 N THR A 48 -4.238 -8.244 -8.717 1.00 0.00 N ATOM 807 CA THR A 48 -5.543 -8.868 -8.662 1.00 0.00 C ATOM 808 C THR A 48 -5.655 -9.735 -7.412 1.00 0.00 C ATOM 809 O THR A 48 -4.735 -9.773 -6.597 1.00 0.00 O ATOM 810 CB THR A 48 -5.804 -9.716 -9.918 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.586 -9.871 -10.663 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.865 -9.067 -10.795 1.00 0.00 C ATOM 0 H THR A 48 -3.459 -8.901 -8.756 1.00 0.00 H new ATOM 0 HA THR A 48 -6.296 -8.081 -8.622 1.00 0.00 H new ATOM 0 HB THR A 48 -6.165 -10.696 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.196 -10.750 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.034 -9.683 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.795 -8.975 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.527 -8.077 -11.103 1.00 0.00 H new ATOM 820 N GLU A 49 -6.761 -10.451 -7.275 1.00 0.00 N ATOM 821 CA GLU A 49 -7.028 -11.221 -6.065 1.00 0.00 C ATOM 822 C GLU A 49 -6.079 -12.406 -5.950 1.00 0.00 C ATOM 823 O GLU A 49 -5.781 -12.874 -4.854 1.00 0.00 O ATOM 824 CB GLU A 49 -8.474 -11.715 -6.046 1.00 0.00 C ATOM 825 CG GLU A 49 -9.491 -10.650 -6.414 1.00 0.00 C ATOM 826 CD GLU A 49 -10.776 -11.244 -6.943 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.555 -11.798 -6.140 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.010 -11.165 -8.166 1.00 0.00 O ATOM 0 H GLU A 49 -7.490 -10.516 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.867 -10.561 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.571 -12.551 -6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.705 -12.096 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.709 -10.040 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.063 -9.986 -7.166 1.00 0.00 H new ATOM 835 N GLU A 50 -5.593 -12.873 -7.084 1.00 0.00 N ATOM 836 CA GLU A 50 -4.702 -14.018 -7.115 1.00 0.00 C ATOM 837 C GLU A 50 -3.273 -13.616 -6.745 1.00 0.00 C ATOM 838 O GLU A 50 -2.455 -14.462 -6.392 1.00 0.00 O ATOM 839 CB GLU A 50 -4.750 -14.667 -8.503 1.00 0.00 C ATOM 840 CG GLU A 50 -3.473 -14.523 -9.311 1.00 0.00 C ATOM 841 CD GLU A 50 -3.539 -13.397 -10.321 1.00 0.00 C ATOM 842 OE1 GLU A 50 -3.737 -12.235 -9.908 1.00 0.00 O ATOM 843 OE2 GLU A 50 -3.382 -13.669 -11.530 1.00 0.00 O ATOM 0 H GLU A 50 -5.801 -12.475 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.035 -14.744 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.973 -15.727 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.573 -14.228 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.638 -14.348 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.270 -15.459 -9.831 1.00 0.00 H new ATOM 850 N THR A 51 -2.983 -12.323 -6.802 1.00 0.00 N ATOM 851 CA THR A 51 -1.620 -11.856 -6.609 1.00 0.00 C ATOM 852 C THR A 51 -1.497 -10.848 -5.468 1.00 0.00 C ATOM 853 O THR A 51 -0.409 -10.343 -5.202 1.00 0.00 O ATOM 854 CB THR A 51 -1.082 -11.215 -7.902 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.144 -10.551 -8.605 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.466 -12.267 -8.805 1.00 0.00 C ATOM 0 H THR A 51 -3.667 -11.587 -6.979 1.00 0.00 H new ATOM 0 HA THR A 51 -1.029 -12.734 -6.347 1.00 0.00 H new ATOM 0 HB THR A 51 -0.317 -10.489 -7.627 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.588 -11.187 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.092 -11.794 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.358 -12.756 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.221 -13.009 -9.067 1.00 0.00 H new ATOM 864 N VAL A 52 -2.598 -10.553 -4.791 1.00 0.00 N ATOM 865 CA VAL A 52 -2.578 -9.526 -3.754 1.00 0.00 C ATOM 866 C VAL A 52 -2.696 -10.116 -2.350 1.00 0.00 C ATOM 867 O VAL A 52 -2.371 -9.461 -1.361 1.00 0.00 O ATOM 868 CB VAL A 52 -3.689 -8.470 -3.986 1.00 0.00 C ATOM 869 CG1 VAL A 52 -5.023 -8.925 -3.414 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.282 -7.128 -3.398 1.00 0.00 C ATOM 0 H VAL A 52 -3.503 -11.001 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.607 -9.035 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.816 -8.355 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.777 -8.159 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.327 -9.855 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.922 -9.088 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.074 -6.400 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.116 -7.236 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.364 -6.785 -3.875 1.00 0.00 H new ATOM 880 N VAL A 53 -3.133 -11.361 -2.262 1.00 0.00 N ATOM 881 CA VAL A 53 -3.332 -11.991 -0.965 1.00 0.00 C ATOM 882 C VAL A 53 -2.232 -13.003 -0.676 1.00 0.00 C ATOM 883 O VAL A 53 -2.377 -13.868 0.184 1.00 0.00 O ATOM 884 CB VAL A 53 -4.708 -12.685 -0.856 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.247 -12.573 0.561 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.698 -12.097 -1.848 1.00 0.00 C ATOM 0 H VAL A 53 -3.355 -11.952 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.295 -11.192 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.574 -13.739 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.217 -13.067 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.553 -13.050 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.358 -11.522 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.657 -12.605 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.827 -11.034 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.320 -12.230 -2.862 1.00 0.00 H new ATOM 896 N SER A 54 -1.140 -12.903 -1.413 1.00 0.00 N ATOM 897 CA SER A 54 0.018 -13.740 -1.168 1.00 0.00 C ATOM 898 C SER A 54 0.930 -13.079 -0.130 1.00 0.00 C ATOM 899 O SER A 54 0.498 -12.781 0.986 1.00 0.00 O ATOM 900 CB SER A 54 0.759 -13.977 -2.483 1.00 0.00 C ATOM 901 OG SER A 54 -0.007 -13.505 -3.582 1.00 0.00 O ATOM 0 H SER A 54 -1.032 -12.248 -2.188 1.00 0.00 H new ATOM 0 HA SER A 54 -0.300 -14.704 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.723 -13.469 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.963 -15.041 -2.605 1.00 0.00 H new ATOM 0 HG SER A 54 0.484 -13.664 -4.415 1.00 0.00 H new ATOM 907 N GLN A 55 2.175 -12.817 -0.508 1.00 0.00 N ATOM 908 CA GLN A 55 3.128 -12.176 0.392 1.00 0.00 C ATOM 909 C GLN A 55 3.052 -10.657 0.254 1.00 0.00 C ATOM 910 O GLN A 55 3.668 -9.922 1.028 1.00 0.00 O ATOM 911 CB GLN A 55 4.551 -12.663 0.085 1.00 0.00 C ATOM 912 CG GLN A 55 5.554 -12.384 1.195 1.00 0.00 C ATOM 913 CD GLN A 55 6.535 -11.284 0.838 1.00 0.00 C ATOM 914 OE1 GLN A 55 6.660 -10.290 1.553 1.00 0.00 O ATOM 915 NE2 GLN A 55 7.232 -11.451 -0.275 1.00 0.00 N ATOM 0 H GLN A 55 2.549 -13.038 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 55 2.875 -12.445 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.524 -13.736 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.897 -12.186 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.017 -12.106 2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.105 -13.297 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.098 -12.290 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.903 -10.741 -0.568 1.00 0.00 H new ATOM 924 N LEU A 56 2.251 -10.204 -0.711 1.00 0.00 N ATOM 925 CA LEU A 56 2.198 -8.795 -1.084 1.00 0.00 C ATOM 926 C LEU A 56 1.960 -7.888 0.120 1.00 0.00 C ATOM 927 O LEU A 56 1.029 -8.094 0.908 1.00 0.00 O ATOM 928 CB LEU A 56 1.110 -8.565 -2.134 1.00 0.00 C ATOM 929 CG LEU A 56 1.504 -7.617 -3.265 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.036 -8.397 -4.456 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.321 -6.757 -3.674 1.00 0.00 C ATOM 0 H LEU A 56 1.625 -10.801 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 56 3.170 -8.536 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.831 -9.527 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.224 -8.169 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 56 2.297 -6.962 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.311 -7.704 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.913 -8.969 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.266 -9.078 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.619 -6.088 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.493 -7.397 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.014 -6.169 -2.820 1.00 0.00 H new ATOM 943 N ARG A 57 2.831 -6.901 0.264 1.00 0.00 N ATOM 944 CA ARG A 57 2.727 -5.918 1.328 1.00 0.00 C ATOM 945 C ARG A 57 3.058 -4.537 0.777 1.00 0.00 C ATOM 946 O ARG A 57 3.767 -4.422 -0.220 1.00 0.00 O ATOM 947 CB ARG A 57 3.675 -6.276 2.472 1.00 0.00 C ATOM 948 CG ARG A 57 2.990 -6.354 3.822 1.00 0.00 C ATOM 949 CD ARG A 57 2.180 -7.631 3.970 1.00 0.00 C ATOM 950 NE ARG A 57 2.564 -8.377 5.167 1.00 0.00 N ATOM 951 CZ ARG A 57 3.351 -9.457 5.157 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.813 -9.948 4.008 1.00 0.00 N ATOM 953 NH2 ARG A 57 3.684 -10.043 6.300 1.00 0.00 N ATOM 0 H ARG A 57 3.630 -6.760 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 57 1.708 -5.913 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.146 -7.235 2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.471 -5.533 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.738 -6.304 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.335 -5.492 3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.119 -7.386 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.323 -8.257 3.089 1.00 0.00 H new ATOM 0 HE ARG A 57 2.209 -8.053 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.567 -9.499 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.413 -10.773 4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.339 -9.669 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.285 -10.867 6.294 1.00 0.00 H new ATOM 967 N ILE A 58 2.540 -3.496 1.414 1.00 0.00 N ATOM 968 CA ILE A 58 2.733 -2.135 0.928 1.00 0.00 C ATOM 969 C ILE A 58 3.340 -1.249 2.011 1.00 0.00 C ATOM 970 O ILE A 58 2.897 -1.271 3.157 1.00 0.00 O ATOM 971 CB ILE A 58 1.397 -1.516 0.455 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.719 -2.416 -0.585 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.619 -0.123 -0.111 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.476 -2.531 -1.893 1.00 0.00 C ATOM 0 H ILE A 58 1.984 -3.566 2.266 1.00 0.00 H new ATOM 0 HA ILE A 58 3.419 -2.190 0.083 1.00 0.00 H new ATOM 0 HB ILE A 58 0.738 -1.434 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.594 -3.412 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.279 -2.029 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.666 0.293 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.050 0.518 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.300 -0.180 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.930 -3.185 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.578 -1.543 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.465 -2.948 -1.705 1.00 0.00 H new ATOM 986 N CYS A 59 4.362 -0.483 1.641 1.00 0.00 N ATOM 987 CA CYS A 59 5.006 0.445 2.565 1.00 0.00 C ATOM 988 C CYS A 59 4.035 1.508 3.070 1.00 0.00 C ATOM 989 O CYS A 59 3.059 1.855 2.403 1.00 0.00 O ATOM 990 CB CYS A 59 6.181 1.143 1.883 1.00 0.00 C ATOM 991 SG CYS A 59 7.261 0.038 0.924 1.00 0.00 S ATOM 0 H CYS A 59 4.763 -0.487 0.703 1.00 0.00 H new ATOM 0 HA CYS A 59 5.356 -0.142 3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.793 1.916 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.779 1.646 2.643 1.00 0.00 H new ATOM 996 N SER A 60 4.337 2.043 4.240 1.00 0.00 N ATOM 997 CA SER A 60 3.571 3.136 4.809 1.00 0.00 C ATOM 998 C SER A 60 3.885 4.440 4.074 1.00 0.00 C ATOM 999 O SER A 60 3.168 5.430 4.198 1.00 0.00 O ATOM 1000 CB SER A 60 3.908 3.263 6.293 1.00 0.00 C ATOM 1001 OG SER A 60 4.924 2.338 6.654 1.00 0.00 O ATOM 0 H SER A 60 5.117 1.733 4.820 1.00 0.00 H new ATOM 0 HA SER A 60 2.506 2.932 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.239 4.279 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.015 3.083 6.891 1.00 0.00 H new ATOM 0 HG SER A 60 4.589 1.424 6.542 1.00 0.00 H new ATOM 1007 N ALA A 61 4.953 4.412 3.281 1.00 0.00 N ATOM 1008 CA ALA A 61 5.398 5.586 2.539 1.00 0.00 C ATOM 1009 C ALA A 61 4.534 5.820 1.308 1.00 0.00 C ATOM 1010 O ALA A 61 4.738 6.776 0.566 1.00 0.00 O ATOM 1011 CB ALA A 61 6.852 5.429 2.130 1.00 0.00 C ATOM 0 H ALA A 61 5.529 3.583 3.136 1.00 0.00 H new ATOM 0 HA ALA A 61 5.301 6.453 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.172 6.312 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.470 5.315 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.959 4.547 1.499 1.00 0.00 H new ATOM 1017 N HIS A 62 3.569 4.941 1.097 1.00 0.00 N ATOM 1018 CA HIS A 62 2.674 5.043 -0.044 1.00 0.00 C ATOM 1019 C HIS A 62 1.395 5.777 0.356 1.00 0.00 C ATOM 1020 O HIS A 62 0.346 5.611 -0.265 1.00 0.00 O ATOM 1021 CB HIS A 62 2.349 3.644 -0.582 1.00 0.00 C ATOM 1022 CG HIS A 62 3.535 2.940 -1.175 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.034 3.209 -2.436 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.338 1.973 -0.649 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.103 2.417 -2.633 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.317 1.660 -1.580 1.00 0.00 N ATOM 0 H HIS A 62 3.384 4.143 1.705 1.00 0.00 H new ATOM 0 HA HIS A 62 3.165 5.612 -0.833 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.944 3.037 0.228 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.569 3.727 -1.339 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.658 3.887 -3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.230 1.526 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.702 2.405 -3.531 1.00 0.00 H new ATOM 1034 N PHE A 63 1.500 6.587 1.403 1.00 0.00 N ATOM 1035 CA PHE A 63 0.368 7.344 1.921 1.00 0.00 C ATOM 1036 C PHE A 63 0.800 8.774 2.220 1.00 0.00 C ATOM 1037 O PHE A 63 1.967 9.121 2.050 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.188 6.686 3.190 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.619 5.264 2.983 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -1.862 4.975 2.446 1.00 0.00 C ATOM 1041 CD2 PHE A 63 0.222 4.215 3.315 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -2.259 3.668 2.247 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -0.167 2.907 3.117 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.409 2.632 2.582 1.00 0.00 C ATOM 0 H PHE A 63 2.369 6.737 1.915 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.419 7.355 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.573 6.718 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.037 7.267 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.529 5.782 2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.195 4.424 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.232 3.456 1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.499 2.099 3.380 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.716 1.608 2.425 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.135 9.589 2.696 1.00 0.00 N ATOM 1055 CA GLU A 64 0.132 11.003 2.947 1.00 0.00 C ATOM 1056 C GLU A 64 0.912 11.207 4.244 1.00 0.00 C ATOM 1057 O GLU A 64 1.140 12.338 4.671 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.185 11.789 2.992 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.988 11.575 4.269 1.00 0.00 C ATOM 1060 CD GLU A 64 -3.454 11.925 4.112 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -3.762 12.960 3.487 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -4.310 11.165 4.622 1.00 0.00 O ATOM 0 H GLU A 64 -1.087 9.295 2.917 1.00 0.00 H new ATOM 0 HA GLU A 64 0.747 11.376 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.966 12.852 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.797 11.502 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.900 10.533 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.559 12.181 5.067 1.00 0.00 H new ATOM 1069 N GLY A 65 1.329 10.113 4.857 1.00 0.00 N ATOM 1070 CA GLY A 65 2.064 10.190 6.103 1.00 0.00 C ATOM 1071 C GLY A 65 2.594 8.843 6.531 1.00 0.00 C ATOM 1072 O GLY A 65 3.771 8.706 6.867 1.00 0.00 O ATOM 0 H GLY A 65 1.171 9.166 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.894 10.888 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.415 10.589 6.883 1.00 0.00 H new ATOM 1076 N GLY A 66 1.725 7.844 6.514 1.00 0.00 N ATOM 1077 CA GLY A 66 2.140 6.499 6.869 1.00 0.00 C ATOM 1078 C GLY A 66 1.111 5.755 7.697 1.00 0.00 C ATOM 1079 O GLY A 66 1.424 4.735 8.310 1.00 0.00 O ATOM 0 H GLY A 66 0.741 7.938 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.340 5.935 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.076 6.549 7.425 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.112 6.256 7.718 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.179 5.626 8.477 1.00 0.00 C ATOM 1085 C GLU A 67 -2.245 5.072 7.544 1.00 0.00 C ATOM 1086 O GLU A 67 -2.838 5.812 6.763 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.810 6.629 9.436 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.451 6.385 10.888 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.657 6.008 11.719 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -3.555 6.857 11.891 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -2.709 4.862 12.213 1.00 0.00 O ATOM 0 H GLU A 67 -0.391 7.099 7.217 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.749 4.804 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.496 7.634 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.894 6.592 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.708 5.590 10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.992 7.282 11.303 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.475 3.770 7.620 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.512 3.136 6.820 1.00 0.00 C ATOM 1100 C LYS A 68 -4.809 3.061 7.602 1.00 0.00 C ATOM 1101 O LYS A 68 -4.914 2.318 8.577 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.095 1.727 6.388 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.206 0.948 5.693 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.200 -0.528 6.069 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.854 -0.779 7.424 1.00 0.00 C ATOM 1106 NZ LYS A 68 -6.253 -0.266 7.491 1.00 0.00 N ATOM 0 H LYS A 68 -1.959 3.133 8.226 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.660 3.744 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.239 1.800 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.766 1.170 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.170 1.383 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.095 1.046 4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.725 -1.099 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.173 -0.892 6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.853 -1.849 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.259 -0.303 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.335 0.420 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.496 0.199 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.906 -1.058 7.658 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.786 3.837 7.183 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.122 3.717 7.716 1.00 0.00 C ATOM 1122 C LYS A 69 -7.925 2.824 6.782 1.00 0.00 C ATOM 1123 O LYS A 69 -7.381 1.876 6.209 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.775 5.094 7.858 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.998 6.054 8.747 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.462 5.974 10.192 1.00 0.00 C ATOM 1127 CE LYS A 69 -8.569 6.979 10.479 1.00 0.00 C ATOM 1128 NZ LYS A 69 -9.267 6.683 11.758 1.00 0.00 N ATOM 0 H LYS A 69 -5.677 4.560 6.472 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.090 3.274 8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.884 5.538 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.779 4.970 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.934 5.822 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.122 7.073 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.819 4.967 10.405 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.619 6.160 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.147 7.983 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.290 6.969 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.013 7.389 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.692 5.735 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.585 6.717 12.542 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.195 3.128 6.604 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.040 2.339 5.721 1.00 0.00 C ATOM 1144 C GLU A 70 -10.496 3.185 4.540 1.00 0.00 C ATOM 1145 O GLU A 70 -11.638 3.089 4.088 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.241 1.780 6.488 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.899 1.330 7.902 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.303 -0.065 7.961 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -9.119 -0.234 7.600 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.014 -0.998 8.393 1.00 0.00 O ATOM 0 H GLU A 70 -9.666 3.912 7.056 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.462 1.497 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.019 2.542 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.654 0.936 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.195 2.037 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.801 1.358 8.513 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.584 4.015 4.043 1.00 0.00 N ATOM 1158 CA GLY A 71 -9.900 4.885 2.926 1.00 0.00 C ATOM 1159 C GLY A 71 -8.681 5.247 2.094 1.00 0.00 C ATOM 1160 O GLY A 71 -8.799 5.500 0.895 1.00 0.00 O ATOM 0 H GLY A 71 -8.630 4.100 4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.636 4.396 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.361 5.798 3.303 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.514 5.281 2.723 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.278 5.648 2.037 1.00 0.00 C ATOM 1166 C ASP A 72 -5.819 4.538 1.100 1.00 0.00 C ATOM 1167 O ASP A 72 -5.613 3.403 1.523 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.161 5.954 3.046 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.686 6.387 4.399 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.181 5.524 5.151 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.612 7.598 4.708 1.00 0.00 O ATOM 0 H ASP A 72 -7.395 5.058 3.711 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.487 6.543 1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.539 5.067 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.520 6.739 2.643 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.678 4.876 -0.175 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.130 3.961 -1.164 1.00 0.00 C ATOM 1178 C ILE A 73 -3.639 4.246 -1.338 1.00 0.00 C ATOM 1179 O ILE A 73 -3.229 5.406 -1.360 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.865 4.110 -2.520 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.323 3.671 -2.379 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.181 3.314 -3.626 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.309 4.670 -2.941 1.00 0.00 C ATOM 0 H ILE A 73 -5.939 5.788 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.270 2.937 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.830 5.162 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.457 2.715 -2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.545 3.507 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.727 3.445 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.158 3.669 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.168 2.257 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.324 4.295 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.202 5.620 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.113 4.816 -4.003 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.807 3.203 -1.448 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.359 3.362 -1.573 1.00 0.00 C ATOM 1197 C PRO A 74 -0.973 3.963 -2.916 1.00 0.00 C ATOM 1198 O PRO A 74 -1.222 3.375 -3.962 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.832 1.932 -1.458 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.961 1.076 -1.910 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.213 1.790 -1.488 1.00 0.00 C ATOM 0 HA PRO A 74 -0.951 4.038 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.051 1.784 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.543 1.698 -0.433 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.937 0.936 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.905 0.085 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.026 1.626 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.563 1.445 -0.515 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.366 5.135 -2.887 1.00 0.00 N ATOM 1210 CA VAL A 75 0.027 5.805 -4.111 1.00 0.00 C ATOM 1211 C VAL A 75 1.491 5.529 -4.432 1.00 0.00 C ATOM 1212 O VAL A 75 2.270 5.154 -3.554 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.215 7.330 -4.043 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.668 7.644 -4.357 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.183 7.893 -2.685 1.00 0.00 C ATOM 0 H VAL A 75 -0.135 5.641 -2.032 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.599 5.402 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 75 0.415 7.810 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.827 8.721 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.909 7.289 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.313 7.148 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.001 8.968 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.408 7.413 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.241 7.702 -2.508 1.00 0.00 H new ATOM 1225 N PRO A 76 1.882 5.698 -5.700 1.00 0.00 N ATOM 1226 CA PRO A 76 3.252 5.439 -6.140 1.00 0.00 C ATOM 1227 C PRO A 76 4.227 6.463 -5.574 1.00 0.00 C ATOM 1228 O PRO A 76 5.375 6.148 -5.268 1.00 0.00 O ATOM 1229 CB PRO A 76 3.189 5.553 -7.669 1.00 0.00 C ATOM 1230 CG PRO A 76 1.740 5.677 -8.023 1.00 0.00 C ATOM 1231 CD PRO A 76 1.022 6.159 -6.796 1.00 0.00 C ATOM 0 HA PRO A 76 3.608 4.467 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.750 6.420 -8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.631 4.676 -8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.604 6.377 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.341 4.717 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.913 7.244 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.019 5.738 -6.725 1.00 0.00 H new ATOM 1239 N ASP A 77 3.739 7.684 -5.434 1.00 0.00 N ATOM 1240 CA ASP A 77 4.524 8.795 -4.916 1.00 0.00 C ATOM 1241 C ASP A 77 3.583 9.910 -4.500 1.00 0.00 C ATOM 1242 O ASP A 77 3.009 10.582 -5.352 1.00 0.00 O ATOM 1243 CB ASP A 77 5.505 9.307 -5.982 1.00 0.00 C ATOM 1244 CG ASP A 77 6.484 10.334 -5.440 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.374 10.713 -4.257 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.372 10.769 -6.200 1.00 0.00 O ATOM 0 H ASP A 77 2.781 7.935 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 77 5.102 8.457 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.061 8.464 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.942 9.748 -6.805 1.00 0.00 H new ATOM 1251 N PRO A 78 3.396 10.118 -3.188 1.00 0.00 N ATOM 1252 CA PRO A 78 2.528 11.182 -2.666 1.00 0.00 C ATOM 1253 C PRO A 78 3.006 12.569 -3.087 1.00 0.00 C ATOM 1254 O PRO A 78 2.294 13.561 -2.941 1.00 0.00 O ATOM 1255 CB PRO A 78 2.627 11.022 -1.143 1.00 0.00 C ATOM 1256 CG PRO A 78 3.131 9.635 -0.930 1.00 0.00 C ATOM 1257 CD PRO A 78 4.010 9.332 -2.107 1.00 0.00 C ATOM 0 HA PRO A 78 1.510 11.098 -3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.306 11.758 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.657 11.166 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.689 9.561 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.306 8.925 -0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.043 9.631 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.022 8.267 -2.339 1.00 0.00 H new ATOM 1265 N THR A 79 4.213 12.621 -3.630 1.00 0.00 N ATOM 1266 CA THR A 79 4.813 13.869 -4.054 1.00 0.00 C ATOM 1267 C THR A 79 4.798 14.012 -5.577 1.00 0.00 C ATOM 1268 O THR A 79 5.365 14.957 -6.119 1.00 0.00 O ATOM 1269 CB THR A 79 6.262 13.964 -3.544 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.583 12.793 -2.774 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.444 15.196 -2.682 1.00 0.00 C ATOM 0 H THR A 79 4.799 11.801 -3.787 1.00 0.00 H new ATOM 0 HA THR A 79 4.220 14.679 -3.628 1.00 0.00 H new ATOM 0 HB THR A 79 6.927 14.034 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.891 12.082 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.475 15.245 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.217 16.087 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.771 15.144 -1.826 1.00 0.00 H new ATOM 1279 N VAL A 80 4.162 13.065 -6.263 1.00 0.00 N ATOM 1280 CA VAL A 80 4.108 13.087 -7.726 1.00 0.00 C ATOM 1281 C VAL A 80 2.731 12.658 -8.234 1.00 0.00 C ATOM 1282 O VAL A 80 2.164 13.283 -9.133 1.00 0.00 O ATOM 1283 CB VAL A 80 5.218 12.188 -8.340 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.745 11.456 -9.593 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.455 13.015 -8.649 1.00 0.00 C ATOM 0 H VAL A 80 3.679 12.276 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 80 4.284 14.114 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 80 5.466 11.430 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.556 10.842 -9.984 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.896 10.820 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.445 12.183 -10.348 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.224 12.373 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.199 13.800 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.830 13.466 -7.730 1.00 0.00 H new ATOM 1295 N ASP A 81 2.200 11.596 -7.651 1.00 0.00 N ATOM 1296 CA ASP A 81 0.895 11.081 -8.033 1.00 0.00 C ATOM 1297 C ASP A 81 -0.148 11.540 -7.027 1.00 0.00 C ATOM 1298 O ASP A 81 0.125 11.583 -5.825 1.00 0.00 O ATOM 1299 CB ASP A 81 0.927 9.551 -8.102 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.191 8.975 -8.952 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.076 8.995 -10.197 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -1.181 8.480 -8.379 1.00 0.00 O ATOM 0 H ASP A 81 2.657 11.070 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 81 0.635 11.465 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.887 9.231 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.856 9.145 -7.093 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.321 11.912 -7.516 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.393 12.394 -6.656 1.00 0.00 C ATOM 1309 C LYS A 82 -2.874 11.291 -5.720 1.00 0.00 C ATOM 1310 O LYS A 82 -3.545 10.353 -6.152 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.563 12.918 -7.496 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.209 14.127 -8.351 1.00 0.00 C ATOM 1313 CD LYS A 82 -4.100 15.321 -8.041 1.00 0.00 C ATOM 1314 CE LYS A 82 -3.333 16.417 -7.313 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.602 17.308 -8.254 1.00 0.00 N ATOM 0 H LYS A 82 -1.556 11.889 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.999 13.213 -6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.921 12.118 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.386 13.182 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.167 14.398 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.304 13.867 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.512 15.719 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.943 14.998 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.027 17.010 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.625 15.964 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.094 18.039 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.921 16.747 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.279 17.761 -8.900 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.472 11.399 -4.454 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.912 10.502 -3.385 1.00 0.00 C ATOM 1331 C GLN A 83 -4.376 10.096 -3.549 1.00 0.00 C ATOM 1332 O GLN A 83 -5.285 10.913 -3.378 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.702 11.180 -2.025 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.367 10.462 -0.860 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.694 9.149 -0.521 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.567 9.124 -0.034 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.383 8.049 -0.774 1.00 0.00 N ATOM 0 H GLN A 83 -1.824 12.120 -4.138 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.313 9.593 -3.441 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.632 11.253 -1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.086 12.199 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.352 11.110 0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.414 10.277 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.317 8.114 -1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.981 7.136 -0.564 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.595 8.831 -3.888 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.939 8.313 -4.043 1.00 0.00 C ATOM 1348 C ILE A 84 -6.527 7.993 -2.676 1.00 0.00 C ATOM 1349 O ILE A 84 -5.921 7.266 -1.891 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.990 7.039 -4.922 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.944 7.087 -6.039 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.378 6.867 -5.519 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.107 5.830 -6.140 1.00 0.00 C ATOM 0 H ILE A 84 -3.856 8.149 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.521 9.086 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.763 6.185 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.448 7.255 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.286 7.939 -5.872 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.400 5.968 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.110 6.776 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.620 7.734 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.388 5.936 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.574 5.671 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.755 4.976 -6.338 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.686 8.552 -2.379 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.332 8.309 -1.100 1.00 0.00 C ATOM 1367 C LYS A 85 -9.831 8.113 -1.276 1.00 0.00 C ATOM 1368 O LYS A 85 -10.450 8.697 -2.172 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.044 9.463 -0.127 1.00 0.00 C ATOM 1370 CG LYS A 85 -9.034 10.616 -0.211 1.00 0.00 C ATOM 1371 CD LYS A 85 -9.642 10.926 1.146 1.00 0.00 C ATOM 1372 CE LYS A 85 -9.225 12.301 1.640 1.00 0.00 C ATOM 1373 NZ LYS A 85 -10.375 13.066 2.191 1.00 0.00 N ATOM 0 H LYS A 85 -8.199 9.175 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.922 7.391 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.044 9.073 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.042 9.845 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.530 11.502 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.826 10.367 -0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.729 10.876 1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.332 10.169 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.459 12.194 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.777 12.861 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.120 14.072 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.195 12.962 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.615 12.700 3.135 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.400 7.268 -0.437 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.835 7.059 -0.411 1.00 0.00 C ATOM 1389 C ILE A 86 -12.438 7.805 0.770 1.00 0.00 C ATOM 1390 O ILE A 86 -11.928 7.726 1.889 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.195 5.559 -0.305 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.541 4.771 -1.438 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.705 5.366 -0.328 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.034 3.411 -1.015 1.00 0.00 C ATOM 0 H ILE A 86 -9.883 6.710 0.243 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.243 7.439 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.815 5.182 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.262 4.646 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.710 5.351 -1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.937 4.304 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.152 5.896 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.108 5.760 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.582 2.909 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.289 3.529 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.865 2.813 -0.641 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.508 8.539 0.520 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.178 9.276 1.574 1.00 0.00 C ATOM 1408 C GLU A 87 -15.131 8.351 2.320 1.00 0.00 C ATOM 1409 O GLU A 87 -16.236 8.068 1.853 1.00 0.00 O ATOM 1410 CB GLU A 87 -14.934 10.470 0.991 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.959 11.686 1.903 1.00 0.00 C ATOM 1412 CD GLU A 87 -13.595 12.327 2.088 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -12.708 12.136 1.232 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -13.407 13.043 3.094 1.00 0.00 O ATOM 0 H GLU A 87 -13.930 8.640 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.433 9.655 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.477 10.749 0.042 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.959 10.169 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.647 12.425 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.350 11.393 2.877 1.00 0.00 H new ATOM 1421 N LEU A 88 -14.692 7.877 3.474 1.00 0.00 N ATOM 1422 CA LEU A 88 -15.461 6.927 4.259 1.00 0.00 C ATOM 1423 C LEU A 88 -16.429 7.656 5.179 1.00 0.00 C ATOM 1424 O LEU A 88 -16.030 8.552 5.926 1.00 0.00 O ATOM 1425 CB LEU A 88 -14.520 6.042 5.082 1.00 0.00 C ATOM 1426 CG LEU A 88 -15.205 5.017 5.991 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -15.473 3.731 5.229 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -14.347 4.740 7.214 1.00 0.00 C ATOM 0 H LEU A 88 -13.798 8.138 3.891 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.035 6.299 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.859 5.510 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.891 6.685 5.698 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.159 5.428 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.960 3.012 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.121 3.941 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.530 3.316 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.846 4.010 7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.381 4.346 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.198 5.665 7.771 1.00 0.00 H new ATOM 1440 N PRO A 89 -17.718 7.292 5.120 1.00 0.00 N ATOM 1441 CA PRO A 89 -18.735 7.850 6.010 1.00 0.00 C ATOM 1442 C PRO A 89 -18.410 7.560 7.473 1.00 0.00 C ATOM 1443 O PRO A 89 -17.900 6.485 7.800 1.00 0.00 O ATOM 1444 CB PRO A 89 -20.026 7.133 5.594 1.00 0.00 C ATOM 1445 CG PRO A 89 -19.579 5.929 4.838 1.00 0.00 C ATOM 1446 CD PRO A 89 -18.286 6.312 4.182 1.00 0.00 C ATOM 0 HA PRO A 89 -18.805 8.935 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.619 6.853 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -20.652 7.776 4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -19.441 5.078 5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -20.322 5.636 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.630 5.452 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.447 6.744 3.194 1.00 0.00 H new ATOM 1454 N PRO A 90 -18.677 8.523 8.369 1.00 0.00 N ATOM 1455 CA PRO A 90 -18.411 8.368 9.806 1.00 0.00 C ATOM 1456 C PRO A 90 -19.136 7.162 10.391 1.00 0.00 C ATOM 1457 O PRO A 90 -18.604 6.454 11.246 1.00 0.00 O ATOM 1458 CB PRO A 90 -18.951 9.664 10.415 1.00 0.00 C ATOM 1459 CG PRO A 90 -18.960 10.640 9.291 1.00 0.00 C ATOM 1460 CD PRO A 90 -19.254 9.840 8.056 1.00 0.00 C ATOM 0 HA PRO A 90 -17.354 8.199 10.011 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -19.952 9.522 10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -18.319 10.009 11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -19.716 11.409 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.000 11.149 9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -20.325 9.776 7.862 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -18.796 10.281 7.171 1.00 0.00 H new ATOM 1468 N LYS A 91 -20.344 6.922 9.905 1.00 0.00 N ATOM 1469 CA LYS A 91 -21.136 5.789 10.342 1.00 0.00 C ATOM 1470 C LYS A 91 -22.099 5.392 9.234 1.00 0.00 C ATOM 1471 O LYS A 91 -22.433 6.267 8.410 1.00 0.00 O ATOM 1472 CB LYS A 91 -21.901 6.129 11.630 1.00 0.00 C ATOM 1473 CG LYS A 91 -22.538 4.926 12.312 1.00 0.00 C ATOM 1474 CD LYS A 91 -21.589 3.743 12.376 1.00 0.00 C ATOM 1475 CE LYS A 91 -22.338 2.429 12.220 1.00 0.00 C ATOM 1476 NZ LYS A 91 -22.466 2.021 10.794 1.00 0.00 N ATOM 1477 OXT LYS A 91 -22.498 4.209 9.177 1.00 0.00 O ATOM 0 H LYS A 91 -20.798 7.504 9.201 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.475 4.950 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.217 6.610 12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.680 6.855 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.844 5.201 13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -23.440 4.639 11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.839 3.832 11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.057 3.751 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -21.818 1.648 12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.331 2.524 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -23.443 1.719 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -22.228 2.826 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -21.816 1.233 10.599 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 6.776 0.288 -1.311 1.00 0.00 ZN