USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 530 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 51 ASN : amide:sc= 2.03 K(o=2,f=-6!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 SER OG : rot 94:sc= 0 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -0.99 X(o=2.1,f=2.4) USER MOD Set 2.3: A 49 THR OG1 : rot -58:sc= 1 USER MOD Set 2.4: A 74 THR OG1 : rot 72:sc= 2.1 USER MOD Set 3.1: A 22 THR OG1 : rot 95:sc= 0.137 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -151:sc= 1.12 (180deg=0.195) USER MOD Single : A 12 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 15 ASN : amide:sc= -0.205 K(o=-0.21,f=-8.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.973 K(o=0.97,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.378 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00484 USER MOD Single : A 40 GLN : amide:sc= -0.293 K(o=-0.29,f=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.015 (180deg=-0.187) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0691 USER MOD Single : A 50 TYR OH : rot 14:sc= 1.17 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.19) USER MOD Single : A 67 TYR OH : rot -151:sc= 0.0355 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -114:sc= -2.37 (180deg=-4.5!) USER MOD Single : A 76 SER OG : rot -59:sc= 0.00326 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 10 3.969 -6.084 10.281 1.00 3.75 N ATOM 2 CA CYS A 10 2.594 -5.763 9.851 1.00 3.34 C ATOM 3 C CYS A 10 2.520 -4.390 9.178 1.00 3.18 C ATOM 4 O CYS A 10 2.015 -4.280 8.061 1.00 3.37 O ATOM 5 CB CYS A 10 1.634 -5.828 11.044 1.00 2.99 C ATOM 6 SG CYS A 10 2.162 -4.853 12.491 1.00 3.12 S ATOM 0 HA CYS A 10 2.294 -6.508 9.114 1.00 3.34 H new ATOM 0 HB2 CYS A 10 0.652 -5.478 10.724 1.00 2.99 H new ATOM 0 HB3 CYS A 10 1.519 -6.869 11.345 1.00 2.99 H new ATOM 11 N VAL A 11 3.019 -3.343 9.841 1.00 3.25 N ATOM 12 CA VAL A 11 2.921 -1.984 9.298 1.00 3.21 C ATOM 13 C VAL A 11 4.183 -1.157 9.568 1.00 2.44 C ATOM 14 O VAL A 11 4.113 0.061 9.728 1.00 2.96 O ATOM 15 CB VAL A 11 1.699 -1.220 9.870 1.00 4.32 C ATOM 16 CG1 VAL A 11 0.394 -1.798 9.339 1.00 4.88 C ATOM 17 CG2 VAL A 11 1.712 -1.243 11.393 1.00 5.17 C ATOM 0 H VAL A 11 3.490 -3.407 10.744 1.00 3.25 H new ATOM 0 HA VAL A 11 2.801 -2.108 8.222 1.00 3.21 H new ATOM 0 HB VAL A 11 1.769 -0.183 9.540 1.00 4.32 H new ATOM 0 HG11 VAL A 11 -0.446 -1.243 9.757 1.00 4.88 H new ATOM 0 HG12 VAL A 11 0.377 -1.719 8.252 1.00 4.88 H new ATOM 0 HG13 VAL A 11 0.316 -2.846 9.628 1.00 4.88 H new ATOM 0 HG21 VAL A 11 0.846 -0.701 11.772 1.00 5.17 H new ATOM 0 HG22 VAL A 11 1.676 -2.275 11.742 1.00 5.17 H new ATOM 0 HG23 VAL A 11 2.624 -0.769 11.756 1.00 5.17 H new ATOM 27 N HIS A 12 5.335 -1.809 9.611 1.00 1.79 N ATOM 28 CA HIS A 12 6.587 -1.102 9.861 1.00 1.77 C ATOM 29 C HIS A 12 7.492 -1.119 8.638 1.00 1.51 C ATOM 30 O HIS A 12 8.315 -2.022 8.480 1.00 2.26 O ATOM 31 CB HIS A 12 7.330 -1.691 11.064 1.00 2.38 C ATOM 32 CG HIS A 12 6.823 -1.211 12.391 1.00 3.01 C ATOM 33 ND1 HIS A 12 7.482 -1.451 13.576 1.00 4.01 N ATOM 34 CD2 HIS A 12 5.717 -0.502 12.718 1.00 3.32 C ATOM 35 CE1 HIS A 12 6.805 -0.913 14.572 1.00 4.72 C ATOM 36 NE2 HIS A 12 5.730 -0.329 14.078 1.00 4.33 N ATOM 0 H HIS A 12 5.432 -2.816 9.478 1.00 1.79 H new ATOM 0 HA HIS A 12 6.326 -0.067 10.084 1.00 1.77 H new ATOM 0 HB2 HIS A 12 7.253 -2.778 11.029 1.00 2.38 H new ATOM 0 HB3 HIS A 12 8.388 -1.444 10.980 1.00 2.38 H new ATOM 0 HD2 HIS A 12 4.964 -0.140 12.034 1.00 3.32 H new ATOM 0 HE1 HIS A 12 7.083 -0.945 15.615 1.00 4.72 H new ATOM 0 HE2 HIS A 12 5.024 0.170 14.619 1.00 4.33 H new ATOM 45 N THR A 13 7.304 -0.116 7.779 1.00 1.05 N ATOM 46 CA THR A 13 8.161 0.142 6.616 1.00 0.80 C ATOM 47 C THR A 13 8.536 -1.123 5.835 1.00 0.84 C ATOM 48 O THR A 13 7.718 -1.668 5.088 1.00 1.82 O ATOM 49 CB THR A 13 9.439 0.909 7.024 1.00 1.18 C ATOM 50 OG1 THR A 13 10.135 0.221 8.073 1.00 1.45 O ATOM 51 CG2 THR A 13 9.091 2.311 7.486 1.00 1.93 C ATOM 0 H THR A 13 6.539 0.553 7.872 1.00 1.05 H new ATOM 0 HA THR A 13 7.564 0.760 5.946 1.00 0.80 H new ATOM 0 HB THR A 13 10.087 0.967 6.149 1.00 1.18 H new ATOM 0 HG1 THR A 13 10.941 0.723 8.315 1.00 1.45 H new ATOM 0 HG21 THR A 13 10.002 2.837 7.770 1.00 1.93 H new ATOM 0 HG22 THR A 13 8.598 2.849 6.676 1.00 1.93 H new ATOM 0 HG23 THR A 13 8.422 2.256 8.345 1.00 1.93 H new ATOM 59 N GLY A 14 9.775 -1.572 5.996 1.00 0.79 N ATOM 60 CA GLY A 14 10.243 -2.745 5.291 1.00 0.83 C ATOM 61 C GLY A 14 11.012 -2.403 4.029 1.00 0.86 C ATOM 62 O GLY A 14 12.075 -2.970 3.779 1.00 1.81 O ATOM 0 H GLY A 14 10.467 -1.139 6.608 1.00 0.79 H new ATOM 0 HA2 GLY A 14 10.881 -3.331 5.953 1.00 0.83 H new ATOM 0 HA3 GLY A 14 9.390 -3.373 5.033 1.00 0.83 H new ATOM 66 N ASN A 15 10.483 -1.455 3.253 1.00 0.68 N ATOM 67 CA ASN A 15 11.025 -1.122 1.929 1.00 0.59 C ATOM 68 C ASN A 15 10.782 -2.276 0.970 1.00 0.47 C ATOM 69 O ASN A 15 11.666 -2.704 0.227 1.00 0.46 O ATOM 70 CB ASN A 15 12.512 -0.756 1.980 1.00 0.71 C ATOM 71 CG ASN A 15 12.749 0.577 2.655 1.00 1.48 C ATOM 72 OD1 ASN A 15 12.692 1.627 2.016 1.00 2.06 O ATOM 73 ND2 ASN A 15 13.020 0.550 3.950 1.00 2.23 N ATOM 0 H ASN A 15 9.671 -0.898 3.520 1.00 0.68 H new ATOM 0 HA ASN A 15 10.501 -0.236 1.569 1.00 0.59 H new ATOM 0 HB2 ASN A 15 13.058 -1.534 2.514 1.00 0.71 H new ATOM 0 HB3 ASN A 15 12.912 -0.724 0.966 1.00 0.71 H new ATOM 0 HD21 ASN A 15 13.191 1.420 4.454 1.00 2.23 H new ATOM 0 HD22 ASN A 15 13.058 -0.341 4.445 1.00 2.23 H new ATOM 80 N ILE A 16 9.559 -2.773 1.011 1.00 0.46 N ATOM 81 CA ILE A 16 9.126 -3.855 0.151 1.00 0.46 C ATOM 82 C ILE A 16 7.902 -3.408 -0.632 1.00 0.47 C ATOM 83 O ILE A 16 6.916 -2.951 -0.051 1.00 0.57 O ATOM 84 CB ILE A 16 8.797 -5.151 0.950 1.00 0.56 C ATOM 85 CG1 ILE A 16 10.058 -5.981 1.214 1.00 0.72 C ATOM 86 CG2 ILE A 16 7.763 -6.003 0.227 1.00 0.58 C ATOM 87 CD1 ILE A 16 10.938 -5.447 2.319 1.00 0.77 C ATOM 0 H ILE A 16 8.836 -2.434 1.646 1.00 0.46 H new ATOM 0 HA ILE A 16 9.946 -4.094 -0.526 1.00 0.46 H new ATOM 0 HB ILE A 16 8.381 -4.835 1.907 1.00 0.56 H new ATOM 0 HG12 ILE A 16 9.762 -7.000 1.463 1.00 0.72 H new ATOM 0 HG13 ILE A 16 10.642 -6.034 0.295 1.00 0.72 H new ATOM 0 HG21 ILE A 16 7.557 -6.899 0.812 1.00 0.58 H new ATOM 0 HG22 ILE A 16 6.843 -5.431 0.102 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.148 -6.289 -0.752 1.00 0.58 H new ATOM 0 HD11 ILE A 16 11.806 -6.095 2.438 1.00 0.77 H new ATOM 0 HD12 ILE A 16 11.269 -4.440 2.066 1.00 0.77 H new ATOM 0 HD13 ILE A 16 10.375 -5.420 3.252 1.00 0.77 H new ATOM 99 N GLY A 17 7.985 -3.518 -1.944 1.00 0.41 N ATOM 100 CA GLY A 17 6.860 -3.205 -2.791 1.00 0.44 C ATOM 101 C GLY A 17 6.041 -4.442 -3.071 1.00 0.37 C ATOM 102 O GLY A 17 6.547 -5.557 -2.954 1.00 0.35 O ATOM 0 H GLY A 17 8.821 -3.822 -2.442 1.00 0.41 H new ATOM 0 HA2 GLY A 17 6.236 -2.451 -2.311 1.00 0.44 H new ATOM 0 HA3 GLY A 17 7.213 -2.777 -3.729 1.00 0.44 H new ATOM 106 N SER A 18 4.784 -4.263 -3.431 1.00 0.39 N ATOM 107 CA SER A 18 3.943 -5.392 -3.782 1.00 0.32 C ATOM 108 C SER A 18 3.467 -5.287 -5.225 1.00 0.37 C ATOM 109 O SER A 18 3.070 -4.216 -5.679 1.00 0.45 O ATOM 110 CB SER A 18 2.743 -5.483 -2.842 1.00 0.32 C ATOM 111 OG SER A 18 3.149 -5.657 -1.499 1.00 1.00 O ATOM 0 H SER A 18 4.325 -3.354 -3.488 1.00 0.39 H new ATOM 0 HA SER A 18 4.540 -6.298 -3.679 1.00 0.32 H new ATOM 0 HB2 SER A 18 2.143 -4.577 -2.927 1.00 0.32 H new ATOM 0 HB3 SER A 18 2.107 -6.316 -3.142 1.00 0.32 H new ATOM 0 HG SER A 18 3.199 -4.784 -1.057 1.00 1.00 H new ATOM 117 N LYS A 19 3.524 -6.405 -5.939 1.00 0.39 N ATOM 118 CA LYS A 19 3.084 -6.455 -7.330 1.00 0.49 C ATOM 119 C LYS A 19 1.586 -6.704 -7.428 1.00 0.38 C ATOM 120 O LYS A 19 1.039 -6.878 -8.516 1.00 0.41 O ATOM 121 CB LYS A 19 3.852 -7.516 -8.089 1.00 0.69 C ATOM 122 CG LYS A 19 4.905 -6.916 -8.992 1.00 0.96 C ATOM 123 CD LYS A 19 6.059 -7.864 -9.193 1.00 1.10 C ATOM 124 CE LYS A 19 5.649 -9.087 -9.995 1.00 1.75 C ATOM 125 NZ LYS A 19 6.774 -10.038 -10.186 1.00 2.49 N ATOM 0 H LYS A 19 3.872 -7.293 -5.577 1.00 0.39 H new ATOM 0 HA LYS A 19 3.289 -5.485 -7.782 1.00 0.49 H new ATOM 0 HB2 LYS A 19 4.326 -8.196 -7.381 1.00 0.69 H new ATOM 0 HB3 LYS A 19 3.158 -8.109 -8.685 1.00 0.69 H new ATOM 0 HG2 LYS A 19 4.462 -6.669 -9.957 1.00 0.96 H new ATOM 0 HG3 LYS A 19 5.269 -5.983 -8.560 1.00 0.96 H new ATOM 0 HD2 LYS A 19 6.869 -7.347 -9.707 1.00 1.10 H new ATOM 0 HD3 LYS A 19 6.445 -8.178 -8.223 1.00 1.10 H new ATOM 0 HE2 LYS A 19 4.829 -9.594 -9.486 1.00 1.75 H new ATOM 0 HE3 LYS A 19 5.273 -8.771 -10.968 1.00 1.75 H new ATOM 0 HZ1 LYS A 19 6.447 -10.856 -10.738 1.00 2.49 H new ATOM 0 HZ2 LYS A 19 7.547 -9.564 -10.695 1.00 2.49 H new ATOM 0 HZ3 LYS A 19 7.117 -10.361 -9.259 1.00 2.49 H new ATOM 139 N ALA A 20 0.936 -6.731 -6.273 1.00 0.31 N ATOM 140 CA ALA A 20 -0.508 -6.881 -6.205 1.00 0.26 C ATOM 141 C ALA A 20 -1.182 -5.649 -6.788 1.00 0.21 C ATOM 142 O ALA A 20 -0.768 -4.522 -6.516 1.00 0.27 O ATOM 143 CB ALA A 20 -0.942 -7.088 -4.763 1.00 0.23 C ATOM 0 H ALA A 20 1.392 -6.650 -5.364 1.00 0.31 H new ATOM 0 HA ALA A 20 -0.805 -7.753 -6.787 1.00 0.26 H new ATOM 0 HB1 ALA A 20 -2.025 -7.199 -4.722 1.00 0.23 H new ATOM 0 HB2 ALA A 20 -0.469 -7.986 -4.366 1.00 0.23 H new ATOM 0 HB3 ALA A 20 -0.643 -6.227 -4.166 1.00 0.23 H new ATOM 149 N GLN A 21 -2.202 -5.877 -7.601 1.00 0.24 N ATOM 150 CA GLN A 21 -2.920 -4.814 -8.260 1.00 0.25 C ATOM 151 C GLN A 21 -3.507 -3.824 -7.262 1.00 0.21 C ATOM 152 O GLN A 21 -4.166 -4.211 -6.292 1.00 0.23 O ATOM 153 CB GLN A 21 -4.041 -5.414 -9.095 1.00 0.33 C ATOM 154 CG GLN A 21 -4.513 -4.494 -10.192 1.00 1.08 C ATOM 155 CD GLN A 21 -5.643 -5.083 -11.011 1.00 1.45 C ATOM 156 OE1 GLN A 21 -6.451 -5.866 -10.512 1.00 1.96 O ATOM 157 NE2 GLN A 21 -5.709 -4.706 -12.277 1.00 1.95 N ATOM 0 H GLN A 21 -2.551 -6.810 -7.819 1.00 0.24 H new ATOM 0 HA GLN A 21 -2.218 -4.272 -8.893 1.00 0.25 H new ATOM 0 HB2 GLN A 21 -3.698 -6.350 -9.535 1.00 0.33 H new ATOM 0 HB3 GLN A 21 -4.881 -5.657 -8.445 1.00 0.33 H new ATOM 0 HG2 GLN A 21 -4.842 -3.552 -9.753 1.00 1.08 H new ATOM 0 HG3 GLN A 21 -3.676 -4.263 -10.851 1.00 1.08 H new ATOM 0 HE21 GLN A 21 -5.019 -4.055 -12.652 1.00 1.95 H new ATOM 0 HE22 GLN A 21 -6.450 -5.066 -12.879 1.00 1.95 H new ATOM 166 N THR A 22 -3.242 -2.551 -7.504 1.00 0.22 N ATOM 167 CA THR A 22 -3.871 -1.481 -6.758 1.00 0.22 C ATOM 168 C THR A 22 -5.368 -1.499 -7.060 1.00 0.24 C ATOM 169 O THR A 22 -5.768 -1.689 -8.208 1.00 0.29 O ATOM 170 CB THR A 22 -3.253 -0.129 -7.166 1.00 0.26 C ATOM 171 OG1 THR A 22 -1.966 -0.366 -7.755 1.00 0.57 O ATOM 172 CG2 THR A 22 -3.075 0.802 -5.971 1.00 0.28 C ATOM 0 H THR A 22 -2.588 -2.234 -8.220 1.00 0.22 H new ATOM 0 HA THR A 22 -3.712 -1.619 -5.688 1.00 0.22 H new ATOM 0 HB THR A 22 -3.932 0.349 -7.872 1.00 0.26 H new ATOM 0 HG1 THR A 22 -2.056 -0.413 -8.730 1.00 0.57 H new ATOM 0 HG21 THR A 22 -2.637 1.743 -6.305 1.00 0.28 H new ATOM 0 HG22 THR A 22 -4.045 0.996 -5.513 1.00 0.28 H new ATOM 0 HG23 THR A 22 -2.416 0.334 -5.240 1.00 0.28 H new ATOM 180 N ILE A 23 -6.187 -1.331 -6.032 1.00 0.23 N ATOM 181 CA ILE A 23 -7.635 -1.505 -6.157 1.00 0.28 C ATOM 182 C ILE A 23 -8.265 -0.385 -6.975 1.00 0.36 C ATOM 183 O ILE A 23 -9.437 -0.453 -7.347 1.00 0.43 O ATOM 184 CB ILE A 23 -8.300 -1.560 -4.773 1.00 0.28 C ATOM 185 CG1 ILE A 23 -7.385 -2.301 -3.818 1.00 0.22 C ATOM 186 CG2 ILE A 23 -9.658 -2.241 -4.837 1.00 0.34 C ATOM 187 CD1 ILE A 23 -8.069 -2.801 -2.579 1.00 0.26 C ATOM 0 H ILE A 23 -5.876 -1.073 -5.096 1.00 0.23 H new ATOM 0 HA ILE A 23 -7.800 -2.450 -6.675 1.00 0.28 H new ATOM 0 HB ILE A 23 -8.462 -0.542 -4.419 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -6.940 -3.147 -4.341 1.00 0.22 H new ATOM 0 HG13 ILE A 23 -6.568 -1.640 -3.528 1.00 0.22 H new ATOM 0 HG21 ILE A 23 -10.101 -2.263 -3.841 1.00 0.34 H new ATOM 0 HG22 ILE A 23 -10.311 -1.688 -5.512 1.00 0.34 H new ATOM 0 HG23 ILE A 23 -9.537 -3.261 -5.203 1.00 0.34 H new ATOM 0 HD11 ILE A 23 -7.347 -3.319 -1.949 1.00 0.26 H new ATOM 0 HD12 ILE A 23 -8.490 -1.958 -2.031 1.00 0.26 H new ATOM 0 HD13 ILE A 23 -8.868 -3.489 -2.857 1.00 0.26 H new ATOM 199 N GLY A 24 -7.481 0.638 -7.257 1.00 0.38 N ATOM 200 CA GLY A 24 -7.975 1.744 -8.046 1.00 0.45 C ATOM 201 C GLY A 24 -6.874 2.692 -8.444 1.00 0.31 C ATOM 202 O GLY A 24 -5.718 2.284 -8.579 1.00 0.34 O ATOM 0 H GLY A 24 -6.511 0.724 -6.954 1.00 0.38 H new ATOM 0 HA2 GLY A 24 -8.464 1.360 -8.941 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -8.731 2.285 -7.477 1.00 0.45 H new ATOM 206 N GLU A 25 -7.233 3.952 -8.643 1.00 0.26 N ATOM 207 CA GLU A 25 -6.260 4.985 -8.959 1.00 0.29 C ATOM 208 C GLU A 25 -5.340 5.222 -7.772 1.00 0.25 C ATOM 209 O GLU A 25 -5.786 5.260 -6.624 1.00 0.32 O ATOM 210 CB GLU A 25 -6.958 6.290 -9.337 1.00 0.46 C ATOM 211 CG GLU A 25 -7.755 6.213 -10.625 1.00 1.30 C ATOM 212 CD GLU A 25 -8.383 7.540 -10.998 1.00 1.45 C ATOM 213 OE1 GLU A 25 -7.640 8.463 -11.400 1.00 2.04 O ATOM 214 OE2 GLU A 25 -9.619 7.668 -10.896 1.00 1.33 O ATOM 0 H GLU A 25 -8.196 4.284 -8.591 1.00 0.26 H new ATOM 0 HA GLU A 25 -5.669 4.645 -9.810 1.00 0.29 H new ATOM 0 HB2 GLU A 25 -7.625 6.581 -8.526 1.00 0.46 H new ATOM 0 HB3 GLU A 25 -6.209 7.076 -9.432 1.00 0.46 H new ATOM 0 HG2 GLU A 25 -7.102 5.884 -11.433 1.00 1.30 H new ATOM 0 HG3 GLU A 25 -8.537 5.461 -10.520 1.00 1.30 H new ATOM 221 N VAL A 26 -4.057 5.373 -8.052 1.00 0.23 N ATOM 222 CA VAL A 26 -3.078 5.616 -7.011 1.00 0.20 C ATOM 223 C VAL A 26 -3.208 7.035 -6.485 1.00 0.22 C ATOM 224 O VAL A 26 -2.924 8.007 -7.189 1.00 0.24 O ATOM 225 CB VAL A 26 -1.642 5.381 -7.514 1.00 0.21 C ATOM 226 CG1 VAL A 26 -0.638 5.572 -6.384 1.00 0.19 C ATOM 227 CG2 VAL A 26 -1.527 3.991 -8.117 1.00 0.26 C ATOM 0 H VAL A 26 -3.670 5.331 -8.995 1.00 0.23 H new ATOM 0 HA VAL A 26 -3.276 4.908 -6.206 1.00 0.20 H new ATOM 0 HB VAL A 26 -1.414 6.114 -8.287 1.00 0.21 H new ATOM 0 HG11 VAL A 26 0.371 5.401 -6.761 1.00 0.19 H new ATOM 0 HG12 VAL A 26 -0.714 6.588 -5.998 1.00 0.19 H new ATOM 0 HG13 VAL A 26 -0.851 4.863 -5.584 1.00 0.19 H new ATOM 0 HG21 VAL A 26 -0.509 3.831 -8.471 1.00 0.26 H new ATOM 0 HG22 VAL A 26 -1.770 3.245 -7.360 1.00 0.26 H new ATOM 0 HG23 VAL A 26 -2.220 3.899 -8.953 1.00 0.26 H new ATOM 237 N LYS A 27 -3.662 7.142 -5.254 1.00 0.28 N ATOM 238 CA LYS A 27 -3.822 8.430 -4.608 1.00 0.33 C ATOM 239 C LYS A 27 -2.635 8.682 -3.697 1.00 0.26 C ATOM 240 O LYS A 27 -2.135 7.760 -3.056 1.00 0.31 O ATOM 241 CB LYS A 27 -5.122 8.458 -3.802 1.00 0.48 C ATOM 242 CG LYS A 27 -6.373 8.250 -4.643 1.00 1.03 C ATOM 243 CD LYS A 27 -6.531 9.347 -5.680 1.00 1.43 C ATOM 244 CE LYS A 27 -7.815 9.188 -6.477 1.00 2.04 C ATOM 245 NZ LYS A 27 -7.992 10.286 -7.462 1.00 2.50 N ATOM 0 H LYS A 27 -3.929 6.346 -4.675 1.00 0.28 H new ATOM 0 HA LYS A 27 -3.870 9.212 -5.365 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -5.079 7.685 -3.035 1.00 0.48 H new ATOM 0 HB3 LYS A 27 -5.198 9.415 -3.286 1.00 0.48 H new ATOM 0 HG2 LYS A 27 -6.322 7.281 -5.140 1.00 1.03 H new ATOM 0 HG3 LYS A 27 -7.250 8.230 -3.995 1.00 1.03 H new ATOM 0 HD2 LYS A 27 -6.528 10.318 -5.185 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -5.678 9.332 -6.358 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -7.803 8.231 -6.998 1.00 2.04 H new ATOM 0 HE3 LYS A 27 -8.666 9.170 -5.796 1.00 2.04 H new ATOM 0 HZ1 LYS A 27 -8.879 10.143 -7.986 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 -8.028 11.198 -6.963 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 -7.193 10.287 -8.128 1.00 2.50 H new ATOM 259 N ARG A 28 -2.169 9.917 -3.648 1.00 0.26 N ATOM 260 CA ARG A 28 -1.023 10.234 -2.822 1.00 0.23 C ATOM 261 C ARG A 28 -1.461 10.448 -1.379 1.00 0.21 C ATOM 262 O ARG A 28 -2.513 11.032 -1.112 1.00 0.29 O ATOM 263 CB ARG A 28 -0.261 11.453 -3.353 1.00 0.31 C ATOM 264 CG ARG A 28 -1.060 12.743 -3.372 1.00 1.25 C ATOM 265 CD ARG A 28 -0.177 13.918 -3.750 1.00 1.23 C ATOM 266 NE ARG A 28 -0.900 15.186 -3.728 1.00 1.92 N ATOM 267 CZ ARG A 28 -0.325 16.366 -3.503 1.00 2.19 C ATOM 268 NH1 ARG A 28 0.972 16.434 -3.227 1.00 1.66 N ATOM 269 NH2 ARG A 28 -1.047 17.478 -3.540 1.00 3.25 N ATOM 0 H ARG A 28 -2.561 10.705 -4.163 1.00 0.26 H new ATOM 0 HA ARG A 28 -0.336 9.388 -2.858 1.00 0.23 H new ATOM 0 HB2 ARG A 28 0.629 11.602 -2.742 1.00 0.31 H new ATOM 0 HB3 ARG A 28 0.080 11.238 -4.366 1.00 0.31 H new ATOM 0 HG2 ARG A 28 -1.882 12.657 -4.083 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -1.503 12.916 -2.391 1.00 1.25 H new ATOM 0 HD2 ARG A 28 0.666 13.972 -3.062 1.00 1.23 H new ATOM 0 HD3 ARG A 28 0.234 13.754 -4.746 1.00 1.23 H new ATOM 0 HE ARG A 28 -1.906 15.167 -3.895 1.00 1.92 H new ATOM 0 HH11 ARG A 28 1.530 15.581 -3.187 1.00 1.66 H new ATOM 0 HH12 ARG A 28 1.410 17.339 -3.055 1.00 1.66 H new ATOM 0 HH21 ARG A 28 -2.046 17.431 -3.741 1.00 3.25 H new ATOM 0 HH22 ARG A 28 -0.603 18.380 -3.367 1.00 3.25 H new ATOM 283 N ALA A 29 -0.657 9.952 -0.458 1.00 0.17 N ATOM 284 CA ALA A 29 -0.981 10.015 0.954 1.00 0.19 C ATOM 285 C ALA A 29 0.108 10.756 1.715 1.00 0.24 C ATOM 286 O ALA A 29 1.296 10.489 1.540 1.00 0.33 O ATOM 287 CB ALA A 29 -1.166 8.609 1.506 1.00 0.16 C ATOM 0 H ALA A 29 0.232 9.497 -0.665 1.00 0.17 H new ATOM 0 HA ALA A 29 -1.915 10.563 1.080 1.00 0.19 H new ATOM 0 HB1 ALA A 29 -1.409 8.664 2.567 1.00 0.16 H new ATOM 0 HB2 ALA A 29 -1.977 8.113 0.973 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -0.244 8.042 1.374 1.00 0.16 H new ATOM 293 N SER A 30 -0.311 11.693 2.555 1.00 0.30 N ATOM 294 CA SER A 30 0.611 12.515 3.325 1.00 0.37 C ATOM 295 C SER A 30 1.319 11.686 4.398 1.00 0.29 C ATOM 296 O SER A 30 2.367 12.077 4.912 1.00 0.42 O ATOM 297 CB SER A 30 -0.149 13.683 3.965 1.00 0.53 C ATOM 298 OG SER A 30 0.733 14.602 4.587 1.00 1.37 O ATOM 0 H SER A 30 -1.295 11.904 2.721 1.00 0.30 H new ATOM 0 HA SER A 30 1.372 12.909 2.651 1.00 0.37 H new ATOM 0 HB2 SER A 30 -0.734 14.198 3.203 1.00 0.53 H new ATOM 0 HB3 SER A 30 -0.854 13.299 4.702 1.00 0.53 H new ATOM 0 HG SER A 30 0.216 15.334 4.983 1.00 1.37 H new ATOM 304 N SER A 31 0.750 10.536 4.722 1.00 0.19 N ATOM 305 CA SER A 31 1.327 9.650 5.718 1.00 0.19 C ATOM 306 C SER A 31 1.019 8.199 5.373 1.00 0.18 C ATOM 307 O SER A 31 0.107 7.924 4.585 1.00 0.21 O ATOM 308 CB SER A 31 0.770 9.992 7.103 1.00 0.25 C ATOM 309 OG SER A 31 -0.647 9.916 7.114 1.00 0.78 O ATOM 0 H SER A 31 -0.116 10.194 4.306 1.00 0.19 H new ATOM 0 HA SER A 31 2.409 9.784 5.727 1.00 0.19 H new ATOM 0 HB2 SER A 31 1.180 9.306 7.844 1.00 0.25 H new ATOM 0 HB3 SER A 31 1.086 10.995 7.389 1.00 0.25 H new ATOM 0 HG SER A 31 -0.979 10.137 8.009 1.00 0.78 H new ATOM 315 N LEU A 32 1.776 7.271 5.945 1.00 0.17 N ATOM 316 CA LEU A 32 1.482 5.856 5.782 1.00 0.18 C ATOM 317 C LEU A 32 0.189 5.526 6.514 1.00 0.18 C ATOM 318 O LEU A 32 -0.587 4.671 6.085 1.00 0.21 O ATOM 319 CB LEU A 32 2.632 4.987 6.301 1.00 0.20 C ATOM 320 CG LEU A 32 2.344 3.482 6.306 1.00 0.26 C ATOM 321 CD1 LEU A 32 3.355 2.758 5.449 1.00 0.81 C ATOM 322 CD2 LEU A 32 2.357 2.916 7.715 1.00 0.87 C ATOM 0 H LEU A 32 2.593 7.472 6.522 1.00 0.17 H new ATOM 0 HA LEU A 32 1.364 5.641 4.720 1.00 0.18 H new ATOM 0 HB2 LEU A 32 3.515 5.172 5.689 1.00 0.20 H new ATOM 0 HB3 LEU A 32 2.877 5.300 7.316 1.00 0.20 H new ATOM 0 HG LEU A 32 1.346 3.332 5.894 1.00 0.26 H new ATOM 0 HD11 LEU A 32 3.142 1.689 5.459 1.00 0.81 H new ATOM 0 HD12 LEU A 32 3.298 3.130 4.426 1.00 0.81 H new ATOM 0 HD13 LEU A 32 4.357 2.932 5.842 1.00 0.81 H new ATOM 0 HD21 LEU A 32 2.149 1.847 7.679 1.00 0.87 H new ATOM 0 HD22 LEU A 32 3.336 3.080 8.164 1.00 0.87 H new ATOM 0 HD23 LEU A 32 1.595 3.414 8.314 1.00 0.87 H new ATOM 334 N SER A 33 -0.038 6.240 7.613 1.00 0.21 N ATOM 335 CA SER A 33 -1.268 6.124 8.380 1.00 0.24 C ATOM 336 C SER A 33 -2.475 6.425 7.496 1.00 0.20 C ATOM 337 O SER A 33 -3.465 5.693 7.505 1.00 0.20 O ATOM 338 CB SER A 33 -1.219 7.094 9.559 1.00 0.31 C ATOM 339 OG SER A 33 0.019 6.981 10.246 1.00 0.99 O ATOM 0 H SER A 33 0.626 6.914 7.994 1.00 0.21 H new ATOM 0 HA SER A 33 -1.365 5.105 8.754 1.00 0.24 H new ATOM 0 HB2 SER A 33 -1.352 8.116 9.203 1.00 0.31 H new ATOM 0 HB3 SER A 33 -2.042 6.886 10.243 1.00 0.31 H new ATOM 0 HG SER A 33 0.035 7.610 10.997 1.00 0.99 H new ATOM 345 N GLU A 34 -2.372 7.498 6.716 1.00 0.20 N ATOM 346 CA GLU A 34 -3.408 7.858 5.760 1.00 0.20 C ATOM 347 C GLU A 34 -3.677 6.700 4.808 1.00 0.18 C ATOM 348 O GLU A 34 -4.824 6.325 4.572 1.00 0.20 O ATOM 349 CB GLU A 34 -2.982 9.074 4.955 1.00 0.26 C ATOM 350 CG GLU A 34 -4.061 9.567 4.016 1.00 0.36 C ATOM 351 CD GLU A 34 -4.978 10.575 4.667 1.00 1.03 C ATOM 352 OE1 GLU A 34 -4.675 11.782 4.596 1.00 1.69 O ATOM 353 OE2 GLU A 34 -6.007 10.168 5.246 1.00 1.20 O ATOM 0 H GLU A 34 -1.575 8.135 6.730 1.00 0.20 H new ATOM 0 HA GLU A 34 -4.317 8.089 6.315 1.00 0.20 H new ATOM 0 HB2 GLU A 34 -2.707 9.878 5.638 1.00 0.26 H new ATOM 0 HB3 GLU A 34 -2.091 8.827 4.378 1.00 0.26 H new ATOM 0 HG2 GLU A 34 -3.597 10.017 3.138 1.00 0.36 H new ATOM 0 HG3 GLU A 34 -4.649 8.719 3.666 1.00 0.36 H new ATOM 360 N CYS A 35 -2.602 6.131 4.277 1.00 0.17 N ATOM 361 CA CYS A 35 -2.703 5.042 3.314 1.00 0.16 C ATOM 362 C CYS A 35 -3.335 3.807 3.957 1.00 0.16 C ATOM 363 O CYS A 35 -3.959 2.995 3.274 1.00 0.20 O ATOM 364 CB CYS A 35 -1.317 4.712 2.750 1.00 0.19 C ATOM 365 SG CYS A 35 -1.346 3.560 1.343 1.00 0.20 S ATOM 0 H CYS A 35 -1.646 6.408 4.499 1.00 0.17 H new ATOM 0 HA CYS A 35 -3.347 5.359 2.494 1.00 0.16 H new ATOM 0 HB2 CYS A 35 -0.833 5.638 2.439 1.00 0.19 H new ATOM 0 HB3 CYS A 35 -0.705 4.284 3.544 1.00 0.19 H new ATOM 370 N ARG A 36 -3.197 3.675 5.275 1.00 0.18 N ATOM 371 CA ARG A 36 -3.850 2.586 5.988 1.00 0.22 C ATOM 372 C ARG A 36 -5.358 2.762 5.918 1.00 0.25 C ATOM 373 O ARG A 36 -6.084 1.834 5.574 1.00 0.28 O ATOM 374 CB ARG A 36 -3.407 2.518 7.452 1.00 0.26 C ATOM 375 CG ARG A 36 -3.967 1.306 8.180 1.00 0.35 C ATOM 376 CD ARG A 36 -3.667 1.337 9.668 1.00 0.46 C ATOM 377 NE ARG A 36 -4.523 2.286 10.381 1.00 1.31 N ATOM 378 CZ ARG A 36 -4.998 2.081 11.611 1.00 1.67 C ATOM 379 NH1 ARG A 36 -4.672 0.982 12.283 1.00 1.32 N ATOM 380 NH2 ARG A 36 -5.798 2.982 12.172 1.00 2.77 N ATOM 0 H ARG A 36 -2.646 4.301 5.862 1.00 0.18 H new ATOM 0 HA ARG A 36 -3.560 1.651 5.508 1.00 0.22 H new ATOM 0 HB2 ARG A 36 -2.318 2.492 7.497 1.00 0.26 H new ATOM 0 HB3 ARG A 36 -3.726 3.425 7.966 1.00 0.26 H new ATOM 0 HG2 ARG A 36 -5.046 1.262 8.030 1.00 0.35 H new ATOM 0 HG3 ARG A 36 -3.547 0.398 7.746 1.00 0.35 H new ATOM 0 HD2 ARG A 36 -3.805 0.340 10.086 1.00 0.46 H new ATOM 0 HD3 ARG A 36 -2.622 1.606 9.821 1.00 0.46 H new ATOM 0 HE ARG A 36 -4.771 3.156 9.910 1.00 1.31 H new ATOM 0 HH11 ARG A 36 -4.055 0.289 11.859 1.00 1.32 H new ATOM 0 HH12 ARG A 36 -5.039 0.831 13.223 1.00 1.32 H new ATOM 0 HH21 ARG A 36 -6.048 3.829 11.662 1.00 2.77 H new ATOM 0 HH22 ARG A 36 -6.162 2.826 13.112 1.00 2.77 H new ATOM 394 N ALA A 37 -5.821 3.970 6.222 1.00 0.29 N ATOM 395 CA ALA A 37 -7.243 4.292 6.154 1.00 0.37 C ATOM 396 C ALA A 37 -7.752 4.168 4.722 1.00 0.37 C ATOM 397 O ALA A 37 -8.918 3.842 4.484 1.00 0.42 O ATOM 398 CB ALA A 37 -7.489 5.694 6.685 1.00 0.41 C ATOM 0 H ALA A 37 -5.229 4.746 6.519 1.00 0.29 H new ATOM 0 HA ALA A 37 -7.790 3.582 6.775 1.00 0.37 H new ATOM 0 HB1 ALA A 37 -8.553 5.923 6.629 1.00 0.41 H new ATOM 0 HB2 ALA A 37 -7.159 5.753 7.722 1.00 0.41 H new ATOM 0 HB3 ALA A 37 -6.931 6.413 6.085 1.00 0.41 H new ATOM 404 N ARG A 38 -6.861 4.429 3.773 1.00 0.33 N ATOM 405 CA ARG A 38 -7.164 4.266 2.360 1.00 0.36 C ATOM 406 C ARG A 38 -7.378 2.791 2.028 1.00 0.34 C ATOM 407 O ARG A 38 -8.175 2.447 1.154 1.00 0.42 O ATOM 408 CB ARG A 38 -6.040 4.853 1.515 1.00 0.39 C ATOM 409 CG ARG A 38 -5.871 6.347 1.713 1.00 0.73 C ATOM 410 CD ARG A 38 -5.834 7.067 0.386 1.00 1.47 C ATOM 411 NE ARG A 38 -5.462 8.475 0.531 1.00 1.91 N ATOM 412 CZ ARG A 38 -5.970 9.468 -0.205 1.00 2.93 C ATOM 413 NH1 ARG A 38 -6.935 9.230 -1.086 1.00 3.77 N ATOM 414 NH2 ARG A 38 -5.527 10.709 -0.039 1.00 3.34 N ATOM 0 H ARG A 38 -5.914 4.758 3.962 1.00 0.33 H new ATOM 0 HA ARG A 38 -8.085 4.802 2.132 1.00 0.36 H new ATOM 0 HB2 ARG A 38 -5.105 4.351 1.764 1.00 0.39 H new ATOM 0 HB3 ARG A 38 -6.240 4.651 0.463 1.00 0.39 H new ATOM 0 HG2 ARG A 38 -6.692 6.733 2.317 1.00 0.73 H new ATOM 0 HG3 ARG A 38 -4.951 6.543 2.263 1.00 0.73 H new ATOM 0 HD2 ARG A 38 -5.123 6.571 -0.275 1.00 1.47 H new ATOM 0 HD3 ARG A 38 -6.812 6.999 -0.090 1.00 1.47 H new ATOM 0 HE ARG A 38 -4.769 8.714 1.241 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -7.295 8.283 -1.205 1.00 3.77 H new ATOM 0 HH12 ARG A 38 -7.317 9.994 -1.643 1.00 3.77 H new ATOM 0 HH21 ARG A 38 -4.800 10.903 0.650 1.00 3.34 H new ATOM 0 HH22 ARG A 38 -5.914 11.468 -0.600 1.00 3.34 H new ATOM 428 N CYS A 39 -6.670 1.925 2.744 1.00 0.28 N ATOM 429 CA CYS A 39 -6.835 0.484 2.593 1.00 0.31 C ATOM 430 C CYS A 39 -8.083 0.014 3.337 1.00 0.32 C ATOM 431 O CYS A 39 -8.792 -0.877 2.875 1.00 0.38 O ATOM 432 CB CYS A 39 -5.602 -0.255 3.123 1.00 0.36 C ATOM 433 SG CYS A 39 -5.673 -2.070 2.939 1.00 0.95 S ATOM 0 H CYS A 39 -5.973 2.197 3.438 1.00 0.28 H new ATOM 0 HA CYS A 39 -6.949 0.260 1.532 1.00 0.31 H new ATOM 0 HB2 CYS A 39 -4.719 0.116 2.602 1.00 0.36 H new ATOM 0 HB3 CYS A 39 -5.475 -0.014 4.178 1.00 0.36 H new ATOM 438 N GLN A 40 -8.355 0.638 4.484 1.00 0.35 N ATOM 439 CA GLN A 40 -9.537 0.317 5.286 1.00 0.41 C ATOM 440 C GLN A 40 -10.807 0.641 4.515 1.00 0.39 C ATOM 441 O GLN A 40 -11.883 0.110 4.801 1.00 0.44 O ATOM 442 CB GLN A 40 -9.525 1.101 6.600 1.00 0.48 C ATOM 443 CG GLN A 40 -8.278 0.869 7.429 1.00 0.85 C ATOM 444 CD GLN A 40 -8.344 1.517 8.796 1.00 1.23 C ATOM 445 OE1 GLN A 40 -7.934 2.663 8.975 1.00 1.75 O ATOM 446 NE2 GLN A 40 -8.863 0.789 9.773 1.00 1.90 N ATOM 0 H GLN A 40 -7.769 1.373 4.880 1.00 0.35 H new ATOM 0 HA GLN A 40 -9.514 -0.750 5.507 1.00 0.41 H new ATOM 0 HB2 GLN A 40 -9.613 2.165 6.380 1.00 0.48 H new ATOM 0 HB3 GLN A 40 -10.400 0.823 7.188 1.00 0.48 H new ATOM 0 HG2 GLN A 40 -8.123 -0.203 7.549 1.00 0.85 H new ATOM 0 HG3 GLN A 40 -7.414 1.258 6.891 1.00 0.85 H new ATOM 0 HE21 GLN A 40 -9.192 -0.158 9.584 1.00 1.90 H new ATOM 0 HE22 GLN A 40 -8.934 1.175 10.714 1.00 1.90 H new ATOM 455 N ALA A 41 -10.668 1.536 3.551 1.00 0.36 N ATOM 456 CA ALA A 41 -11.766 1.917 2.679 1.00 0.37 C ATOM 457 C ALA A 41 -12.214 0.742 1.820 1.00 0.32 C ATOM 458 O ALA A 41 -13.382 0.356 1.839 1.00 0.41 O ATOM 459 CB ALA A 41 -11.358 3.086 1.800 1.00 0.45 C ATOM 0 H ALA A 41 -9.792 2.018 3.351 1.00 0.36 H new ATOM 0 HA ALA A 41 -12.606 2.221 3.304 1.00 0.37 H new ATOM 0 HB1 ALA A 41 -12.190 3.361 1.152 1.00 0.45 H new ATOM 0 HB2 ALA A 41 -11.090 3.936 2.427 1.00 0.45 H new ATOM 0 HB3 ALA A 41 -10.501 2.801 1.190 1.00 0.45 H new ATOM 465 N GLU A 42 -11.277 0.167 1.078 1.00 0.37 N ATOM 466 CA GLU A 42 -11.582 -0.955 0.204 1.00 0.43 C ATOM 467 C GLU A 42 -11.662 -2.252 0.996 1.00 0.46 C ATOM 468 O GLU A 42 -10.703 -2.653 1.655 1.00 0.66 O ATOM 469 CB GLU A 42 -10.518 -1.093 -0.886 1.00 0.51 C ATOM 470 CG GLU A 42 -10.469 0.066 -1.866 1.00 0.37 C ATOM 471 CD GLU A 42 -11.806 0.332 -2.526 1.00 1.03 C ATOM 472 OE1 GLU A 42 -12.129 -0.347 -3.523 1.00 1.53 O ATOM 473 OE2 GLU A 42 -12.545 1.219 -2.052 1.00 1.47 O ATOM 0 H GLU A 42 -10.300 0.460 1.065 1.00 0.37 H new ATOM 0 HA GLU A 42 -12.549 -0.761 -0.259 1.00 0.43 H new ATOM 0 HB2 GLU A 42 -9.541 -1.194 -0.413 1.00 0.51 H new ATOM 0 HB3 GLU A 42 -10.700 -2.014 -1.440 1.00 0.51 H new ATOM 0 HG2 GLU A 42 -10.142 0.965 -1.343 1.00 0.37 H new ATOM 0 HG3 GLU A 42 -9.725 -0.145 -2.634 1.00 0.37 H new ATOM 480 N LYS A 43 -12.804 -2.913 0.914 1.00 0.49 N ATOM 481 CA LYS A 43 -13.000 -4.191 1.582 1.00 0.54 C ATOM 482 C LYS A 43 -12.114 -5.262 0.950 1.00 0.50 C ATOM 483 O LYS A 43 -11.758 -6.250 1.592 1.00 0.67 O ATOM 484 CB LYS A 43 -14.475 -4.601 1.509 1.00 0.66 C ATOM 485 CG LYS A 43 -14.780 -5.941 2.160 1.00 1.47 C ATOM 486 CD LYS A 43 -14.447 -5.941 3.644 1.00 2.04 C ATOM 487 CE LYS A 43 -14.685 -7.306 4.269 1.00 2.80 C ATOM 488 NZ LYS A 43 -16.096 -7.749 4.120 1.00 3.38 N ATOM 0 H LYS A 43 -13.614 -2.585 0.389 1.00 0.49 H new ATOM 0 HA LYS A 43 -12.718 -4.088 2.630 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -15.079 -3.831 1.988 1.00 0.66 H new ATOM 0 HB3 LYS A 43 -14.779 -4.640 0.463 1.00 0.66 H new ATOM 0 HG2 LYS A 43 -15.835 -6.178 2.025 1.00 1.47 H new ATOM 0 HG3 LYS A 43 -14.211 -6.725 1.660 1.00 1.47 H new ATOM 0 HD2 LYS A 43 -13.405 -5.652 3.784 1.00 2.04 H new ATOM 0 HD3 LYS A 43 -15.056 -5.195 4.154 1.00 2.04 H new ATOM 0 HE2 LYS A 43 -14.024 -8.038 3.804 1.00 2.80 H new ATOM 0 HE3 LYS A 43 -14.426 -7.270 5.327 1.00 2.80 H new ATOM 0 HZ1 LYS A 43 -16.261 -8.587 4.714 1.00 3.38 H new ATOM 0 HZ2 LYS A 43 -16.734 -6.983 4.417 1.00 3.38 H new ATOM 0 HZ3 LYS A 43 -16.282 -7.988 3.125 1.00 3.38 H new ATOM 502 N GLU A 44 -11.739 -5.041 -0.304 1.00 0.38 N ATOM 503 CA GLU A 44 -10.913 -5.989 -1.037 1.00 0.40 C ATOM 504 C GLU A 44 -9.440 -5.831 -0.656 1.00 0.35 C ATOM 505 O GLU A 44 -8.614 -6.694 -0.960 1.00 0.37 O ATOM 506 CB GLU A 44 -11.083 -5.773 -2.542 1.00 0.53 C ATOM 507 CG GLU A 44 -10.837 -7.020 -3.370 1.00 0.98 C ATOM 508 CD GLU A 44 -11.870 -8.093 -3.113 1.00 1.37 C ATOM 509 OE1 GLU A 44 -12.983 -8.002 -3.675 1.00 1.87 O ATOM 510 OE2 GLU A 44 -11.583 -9.028 -2.341 1.00 1.96 O ATOM 0 H GLU A 44 -11.996 -4.209 -0.835 1.00 0.38 H new ATOM 0 HA GLU A 44 -11.233 -6.998 -0.777 1.00 0.40 H new ATOM 0 HB2 GLU A 44 -12.093 -5.412 -2.736 1.00 0.53 H new ATOM 0 HB3 GLU A 44 -10.397 -4.991 -2.867 1.00 0.53 H new ATOM 0 HG2 GLU A 44 -10.844 -6.758 -4.428 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -9.845 -7.413 -3.146 1.00 0.98 H new ATOM 517 N CYS A 45 -9.120 -4.729 0.015 1.00 0.32 N ATOM 518 CA CYS A 45 -7.737 -4.407 0.341 1.00 0.31 C ATOM 519 C CYS A 45 -7.228 -5.293 1.465 1.00 0.33 C ATOM 520 O CYS A 45 -7.718 -5.225 2.595 1.00 0.55 O ATOM 521 CB CYS A 45 -7.601 -2.933 0.744 1.00 0.38 C ATOM 522 SG CYS A 45 -5.878 -2.361 0.940 1.00 0.62 S ATOM 0 H CYS A 45 -9.801 -4.044 0.343 1.00 0.32 H new ATOM 0 HA CYS A 45 -7.136 -4.586 -0.550 1.00 0.31 H new ATOM 0 HB2 CYS A 45 -8.092 -2.316 -0.009 1.00 0.38 H new ATOM 0 HB3 CYS A 45 -8.133 -2.775 1.682 1.00 0.38 H new ATOM 527 N SER A 46 -6.255 -6.127 1.149 1.00 0.25 N ATOM 528 CA SER A 46 -5.660 -7.005 2.135 1.00 0.27 C ATOM 529 C SER A 46 -4.346 -6.412 2.636 1.00 0.26 C ATOM 530 O SER A 46 -3.815 -6.824 3.668 1.00 0.35 O ATOM 531 CB SER A 46 -5.438 -8.386 1.535 1.00 0.30 C ATOM 532 OG SER A 46 -4.990 -9.316 2.508 1.00 1.28 O ATOM 0 H SER A 46 -5.860 -6.214 0.213 1.00 0.25 H new ATOM 0 HA SER A 46 -6.337 -7.104 2.983 1.00 0.27 H new ATOM 0 HB2 SER A 46 -6.367 -8.743 1.091 1.00 0.30 H new ATOM 0 HB3 SER A 46 -4.705 -8.320 0.731 1.00 0.30 H new ATOM 0 HG SER A 46 -4.859 -10.192 2.088 1.00 1.28 H new ATOM 538 N HIS A 47 -3.836 -5.428 1.902 1.00 0.21 N ATOM 539 CA HIS A 47 -2.586 -4.764 2.249 1.00 0.20 C ATOM 540 C HIS A 47 -2.375 -3.570 1.328 1.00 0.18 C ATOM 541 O HIS A 47 -2.984 -3.490 0.265 1.00 0.22 O ATOM 542 CB HIS A 47 -1.399 -5.732 2.128 1.00 0.22 C ATOM 543 CG HIS A 47 -1.063 -6.102 0.715 1.00 0.22 C ATOM 544 ND1 HIS A 47 -1.755 -7.051 -0.004 1.00 0.26 N ATOM 545 CD2 HIS A 47 -0.124 -5.611 -0.124 1.00 0.30 C ATOM 546 CE1 HIS A 47 -1.262 -7.122 -1.220 1.00 0.29 C ATOM 547 NE2 HIS A 47 -0.268 -6.260 -1.322 1.00 0.32 N ATOM 0 H HIS A 47 -4.276 -5.070 1.054 1.00 0.21 H new ATOM 0 HA HIS A 47 -2.646 -4.426 3.283 1.00 0.20 H new ATOM 0 HB2 HIS A 47 -0.524 -5.279 2.593 1.00 0.22 H new ATOM 0 HB3 HIS A 47 -1.624 -6.640 2.688 1.00 0.22 H new ATOM 0 HD1 HIS A 47 -2.529 -7.611 0.352 1.00 0.26 H new ATOM 0 HD2 HIS A 47 0.605 -4.848 0.107 1.00 0.30 H new ATOM 0 HE1 HIS A 47 -1.612 -7.776 -2.005 1.00 0.29 H new ATOM 556 N TYR A 48 -1.502 -2.663 1.715 1.00 0.15 N ATOM 557 CA TYR A 48 -1.229 -1.490 0.902 1.00 0.14 C ATOM 558 C TYR A 48 0.266 -1.232 0.811 1.00 0.13 C ATOM 559 O TYR A 48 1.014 -1.527 1.739 1.00 0.17 O ATOM 560 CB TYR A 48 -1.945 -0.259 1.473 1.00 0.16 C ATOM 561 CG TYR A 48 -1.543 0.086 2.892 1.00 0.20 C ATOM 562 CD1 TYR A 48 -0.438 0.888 3.146 1.00 0.28 C ATOM 563 CD2 TYR A 48 -2.271 -0.388 3.973 1.00 0.26 C ATOM 564 CE1 TYR A 48 -0.067 1.204 4.435 1.00 0.36 C ATOM 565 CE2 TYR A 48 -1.908 -0.075 5.266 1.00 0.34 C ATOM 566 CZ TYR A 48 -0.805 0.721 5.493 1.00 0.40 C ATOM 567 OH TYR A 48 -0.438 1.033 6.782 1.00 0.47 O ATOM 0 H TYR A 48 -0.970 -2.712 2.584 1.00 0.15 H new ATOM 0 HA TYR A 48 -1.608 -1.680 -0.102 1.00 0.14 H new ATOM 0 HB2 TYR A 48 -1.741 0.597 0.830 1.00 0.16 H new ATOM 0 HB3 TYR A 48 -3.021 -0.431 1.443 1.00 0.16 H new ATOM 0 HD1 TYR A 48 0.141 1.271 2.319 1.00 0.28 H new ATOM 0 HD2 TYR A 48 -3.135 -1.012 3.800 1.00 0.26 H new ATOM 0 HE1 TYR A 48 0.797 1.827 4.615 1.00 0.36 H new ATOM 0 HE2 TYR A 48 -2.485 -0.452 6.097 1.00 0.34 H new ATOM 0 HH TYR A 48 -1.063 0.615 7.410 1.00 0.47 H new ATOM 577 N THR A 49 0.691 -0.697 -0.315 1.00 0.13 N ATOM 578 CA THR A 49 2.068 -0.287 -0.494 1.00 0.13 C ATOM 579 C THR A 49 2.142 1.231 -0.533 1.00 0.12 C ATOM 580 O THR A 49 1.740 1.862 -1.503 1.00 0.18 O ATOM 581 CB THR A 49 2.675 -0.882 -1.782 1.00 0.15 C ATOM 582 OG1 THR A 49 2.798 -2.309 -1.656 1.00 0.17 O ATOM 583 CG2 THR A 49 4.034 -0.267 -2.092 1.00 0.16 C ATOM 0 H THR A 49 0.096 -0.535 -1.127 1.00 0.13 H new ATOM 0 HA THR A 49 2.649 -0.664 0.347 1.00 0.13 H new ATOM 0 HB THR A 49 2.004 -0.648 -2.608 1.00 0.15 H new ATOM 0 HG1 THR A 49 3.361 -2.522 -0.883 1.00 0.17 H new ATOM 0 HG21 THR A 49 4.433 -0.708 -3.005 1.00 0.16 H new ATOM 0 HG22 THR A 49 3.924 0.809 -2.227 1.00 0.16 H new ATOM 0 HG23 THR A 49 4.718 -0.461 -1.266 1.00 0.16 H new ATOM 591 N TYR A 50 2.611 1.815 0.541 1.00 0.17 N ATOM 592 CA TYR A 50 2.766 3.248 0.609 1.00 0.16 C ATOM 593 C TYR A 50 4.167 3.640 0.186 1.00 0.14 C ATOM 594 O TYR A 50 5.126 3.476 0.941 1.00 0.16 O ATOM 595 CB TYR A 50 2.488 3.745 2.026 1.00 0.20 C ATOM 596 CG TYR A 50 2.757 5.222 2.220 1.00 0.19 C ATOM 597 CD1 TYR A 50 2.029 6.173 1.523 1.00 0.20 C ATOM 598 CD2 TYR A 50 3.737 5.666 3.103 1.00 0.20 C ATOM 599 CE1 TYR A 50 2.265 7.519 1.698 1.00 0.23 C ATOM 600 CE2 TYR A 50 3.975 7.006 3.286 1.00 0.23 C ATOM 601 CZ TYR A 50 3.240 7.935 2.582 1.00 0.25 C ATOM 602 OH TYR A 50 3.477 9.282 2.755 1.00 0.28 O ATOM 0 H TYR A 50 2.894 1.317 1.385 1.00 0.17 H new ATOM 0 HA TYR A 50 2.049 3.710 -0.070 1.00 0.16 H new ATOM 0 HB2 TYR A 50 1.447 3.539 2.275 1.00 0.20 H new ATOM 0 HB3 TYR A 50 3.102 3.179 2.726 1.00 0.20 H new ATOM 0 HD1 TYR A 50 1.264 5.854 0.831 1.00 0.20 H new ATOM 0 HD2 TYR A 50 4.321 4.944 3.654 1.00 0.20 H new ATOM 0 HE1 TYR A 50 1.689 8.246 1.145 1.00 0.23 H new ATOM 0 HE2 TYR A 50 4.736 7.331 3.980 1.00 0.23 H new ATOM 0 HH TYR A 50 2.741 9.797 2.363 1.00 0.28 H new ATOM 612 N ASN A 51 4.283 4.145 -1.024 1.00 0.16 N ATOM 613 CA ASN A 51 5.542 4.673 -1.493 1.00 0.20 C ATOM 614 C ASN A 51 5.768 6.029 -0.852 1.00 0.19 C ATOM 615 O ASN A 51 5.267 7.047 -1.321 1.00 0.22 O ATOM 616 CB ASN A 51 5.552 4.782 -3.019 1.00 0.27 C ATOM 617 CG ASN A 51 6.816 5.431 -3.550 1.00 0.34 C ATOM 618 OD1 ASN A 51 6.864 6.640 -3.752 1.00 0.44 O ATOM 619 ND2 ASN A 51 7.851 4.640 -3.758 1.00 0.62 N ATOM 0 H ASN A 51 3.520 4.200 -1.699 1.00 0.16 H new ATOM 0 HA ASN A 51 6.350 3.997 -1.211 1.00 0.20 H new ATOM 0 HB2 ASN A 51 5.450 3.787 -3.451 1.00 0.27 H new ATOM 0 HB3 ASN A 51 4.687 5.360 -3.344 1.00 0.27 H new ATOM 0 HD21 ASN A 51 8.730 5.029 -4.099 1.00 0.62 H new ATOM 0 HD22 ASN A 51 7.772 3.639 -3.578 1.00 0.62 H new ATOM 626 N VAL A 52 6.522 6.021 0.228 1.00 0.18 N ATOM 627 CA VAL A 52 6.778 7.217 1.010 1.00 0.22 C ATOM 628 C VAL A 52 7.647 8.189 0.217 1.00 0.31 C ATOM 629 O VAL A 52 7.618 9.401 0.436 1.00 0.44 O ATOM 630 CB VAL A 52 7.492 6.844 2.322 1.00 0.27 C ATOM 631 CG1 VAL A 52 8.946 6.497 2.056 1.00 0.91 C ATOM 632 CG2 VAL A 52 7.360 7.950 3.352 1.00 1.04 C ATOM 0 H VAL A 52 6.977 5.183 0.591 1.00 0.18 H new ATOM 0 HA VAL A 52 5.825 7.694 1.239 1.00 0.22 H new ATOM 0 HB VAL A 52 7.008 5.960 2.737 1.00 0.27 H new ATOM 0 HG11 VAL A 52 9.435 6.236 2.994 1.00 0.91 H new ATOM 0 HG12 VAL A 52 8.999 5.650 1.371 1.00 0.91 H new ATOM 0 HG13 VAL A 52 9.449 7.355 1.611 1.00 0.91 H new ATOM 0 HG21 VAL A 52 7.874 7.658 4.268 1.00 1.04 H new ATOM 0 HG22 VAL A 52 7.805 8.865 2.962 1.00 1.04 H new ATOM 0 HG23 VAL A 52 6.306 8.123 3.567 1.00 1.04 H new ATOM 642 N LYS A 53 8.399 7.625 -0.723 1.00 0.33 N ATOM 643 CA LYS A 53 9.380 8.357 -1.501 1.00 0.45 C ATOM 644 C LYS A 53 8.714 9.436 -2.360 1.00 0.44 C ATOM 645 O LYS A 53 9.122 10.595 -2.337 1.00 0.59 O ATOM 646 CB LYS A 53 10.155 7.358 -2.362 1.00 0.58 C ATOM 647 CG LYS A 53 11.227 7.979 -3.241 1.00 1.03 C ATOM 648 CD LYS A 53 12.400 8.497 -2.420 1.00 1.31 C ATOM 649 CE LYS A 53 13.125 7.371 -1.696 1.00 1.33 C ATOM 650 NZ LYS A 53 14.230 7.880 -0.845 1.00 1.68 N ATOM 0 H LYS A 53 8.340 6.636 -0.965 1.00 0.33 H new ATOM 0 HA LYS A 53 10.069 8.873 -0.832 1.00 0.45 H new ATOM 0 HB2 LYS A 53 10.621 6.621 -1.709 1.00 0.58 H new ATOM 0 HB3 LYS A 53 9.450 6.821 -2.996 1.00 0.58 H new ATOM 0 HG2 LYS A 53 11.583 7.239 -3.958 1.00 1.03 H new ATOM 0 HG3 LYS A 53 10.796 8.798 -3.816 1.00 1.03 H new ATOM 0 HD2 LYS A 53 13.099 9.018 -3.074 1.00 1.31 H new ATOM 0 HD3 LYS A 53 12.041 9.225 -1.692 1.00 1.31 H new ATOM 0 HE2 LYS A 53 12.415 6.821 -1.078 1.00 1.33 H new ATOM 0 HE3 LYS A 53 13.524 6.668 -2.427 1.00 1.33 H new ATOM 0 HZ1 LYS A 53 14.698 7.082 -0.370 1.00 1.68 H new ATOM 0 HZ2 LYS A 53 14.921 8.383 -1.437 1.00 1.68 H new ATOM 0 HZ3 LYS A 53 13.846 8.532 -0.131 1.00 1.68 H new ATOM 664 N SER A 54 7.689 9.052 -3.107 1.00 0.34 N ATOM 665 CA SER A 54 6.923 10.001 -3.906 1.00 0.36 C ATOM 666 C SER A 54 5.641 10.397 -3.179 1.00 0.33 C ATOM 667 O SER A 54 4.927 11.306 -3.600 1.00 0.43 O ATOM 668 CB SER A 54 6.587 9.397 -5.271 1.00 0.40 C ATOM 669 OG SER A 54 7.767 9.072 -5.991 1.00 0.94 O ATOM 0 H SER A 54 7.367 8.087 -3.177 1.00 0.34 H new ATOM 0 HA SER A 54 7.530 10.894 -4.056 1.00 0.36 H new ATOM 0 HB2 SER A 54 5.981 8.501 -5.136 1.00 0.40 H new ATOM 0 HB3 SER A 54 5.989 10.103 -5.847 1.00 0.40 H new ATOM 0 HG SER A 54 7.525 8.686 -6.859 1.00 0.94 H new ATOM 675 N GLY A 55 5.349 9.696 -2.089 1.00 0.26 N ATOM 676 CA GLY A 55 4.178 10.004 -1.294 1.00 0.24 C ATOM 677 C GLY A 55 2.919 9.365 -1.844 1.00 0.20 C ATOM 678 O GLY A 55 1.816 9.840 -1.592 1.00 0.27 O ATOM 0 H GLY A 55 5.907 8.916 -1.742 1.00 0.26 H new ATOM 0 HA2 GLY A 55 4.337 9.663 -0.271 1.00 0.24 H new ATOM 0 HA3 GLY A 55 4.045 11.085 -1.253 1.00 0.24 H new ATOM 682 N LEU A 56 3.085 8.277 -2.581 1.00 0.22 N ATOM 683 CA LEU A 56 1.964 7.609 -3.230 1.00 0.19 C ATOM 684 C LEU A 56 1.441 6.461 -2.377 1.00 0.15 C ATOM 685 O LEU A 56 2.210 5.753 -1.737 1.00 0.14 O ATOM 686 CB LEU A 56 2.382 7.084 -4.605 1.00 0.22 C ATOM 687 CG LEU A 56 2.780 8.159 -5.619 1.00 0.33 C ATOM 688 CD1 LEU A 56 3.302 7.520 -6.896 1.00 0.40 C ATOM 689 CD2 LEU A 56 1.600 9.069 -5.928 1.00 0.37 C ATOM 0 H LEU A 56 3.989 7.835 -2.746 1.00 0.22 H new ATOM 0 HA LEU A 56 1.164 8.340 -3.352 1.00 0.19 H new ATOM 0 HB2 LEU A 56 3.221 6.401 -4.476 1.00 0.22 H new ATOM 0 HB3 LEU A 56 1.559 6.503 -5.020 1.00 0.22 H new ATOM 0 HG LEU A 56 3.576 8.762 -5.182 1.00 0.33 H new ATOM 0 HD11 LEU A 56 3.580 8.299 -7.605 1.00 0.40 H new ATOM 0 HD12 LEU A 56 4.175 6.910 -6.667 1.00 0.40 H new ATOM 0 HD13 LEU A 56 2.525 6.892 -7.333 1.00 0.40 H new ATOM 0 HD21 LEU A 56 1.904 9.826 -6.651 1.00 0.37 H new ATOM 0 HD22 LEU A 56 0.784 8.478 -6.343 1.00 0.37 H new ATOM 0 HD23 LEU A 56 1.266 9.556 -5.012 1.00 0.37 H new ATOM 701 N CYS A 57 0.131 6.287 -2.370 1.00 0.14 N ATOM 702 CA CYS A 57 -0.495 5.202 -1.634 1.00 0.13 C ATOM 703 C CYS A 57 -1.055 4.164 -2.598 1.00 0.11 C ATOM 704 O CYS A 57 -1.835 4.492 -3.494 1.00 0.13 O ATOM 705 CB CYS A 57 -1.610 5.741 -0.737 1.00 0.17 C ATOM 706 SG CYS A 57 -2.627 4.449 0.047 1.00 0.20 S ATOM 0 H CYS A 57 -0.524 6.888 -2.870 1.00 0.14 H new ATOM 0 HA CYS A 57 0.260 4.728 -1.007 1.00 0.13 H new ATOM 0 HB2 CYS A 57 -1.167 6.361 0.042 1.00 0.17 H new ATOM 0 HB3 CYS A 57 -2.257 6.388 -1.330 1.00 0.17 H new ATOM 711 N TYR A 58 -0.641 2.919 -2.425 1.00 0.11 N ATOM 712 CA TYR A 58 -1.112 1.831 -3.267 1.00 0.13 C ATOM 713 C TYR A 58 -1.950 0.844 -2.466 1.00 0.13 C ATOM 714 O TYR A 58 -1.420 -0.142 -1.954 1.00 0.12 O ATOM 715 CB TYR A 58 0.071 1.080 -3.884 1.00 0.15 C ATOM 716 CG TYR A 58 0.893 1.904 -4.838 1.00 0.17 C ATOM 717 CD1 TYR A 58 0.549 2.004 -6.178 1.00 0.21 C ATOM 718 CD2 TYR A 58 2.011 2.584 -4.394 1.00 0.18 C ATOM 719 CE1 TYR A 58 1.301 2.759 -7.051 1.00 0.24 C ATOM 720 CE2 TYR A 58 2.770 3.341 -5.256 1.00 0.21 C ATOM 721 CZ TYR A 58 2.401 3.421 -6.603 1.00 0.24 C ATOM 722 OH TYR A 58 3.172 4.185 -7.452 1.00 0.28 O ATOM 0 H TYR A 58 0.024 2.636 -1.705 1.00 0.11 H new ATOM 0 HA TYR A 58 -1.725 2.269 -4.055 1.00 0.13 H new ATOM 0 HB2 TYR A 58 0.716 0.720 -3.083 1.00 0.15 H new ATOM 0 HB3 TYR A 58 -0.304 0.202 -4.410 1.00 0.15 H new ATOM 0 HD1 TYR A 58 -0.323 1.481 -6.543 1.00 0.21 H new ATOM 0 HD2 TYR A 58 2.293 2.520 -3.354 1.00 0.18 H new ATOM 0 HE1 TYR A 58 1.017 2.825 -8.091 1.00 0.24 H new ATOM 0 HE2 TYR A 58 3.642 3.868 -4.897 1.00 0.21 H new ATOM 0 HH TYR A 58 3.915 4.582 -6.951 1.00 0.28 H new ATOM 732 N PRO A 59 -3.263 1.076 -2.342 1.00 0.15 N ATOM 733 CA PRO A 59 -4.145 0.117 -1.705 1.00 0.16 C ATOM 734 C PRO A 59 -4.306 -1.091 -2.611 1.00 0.15 C ATOM 735 O PRO A 59 -4.747 -0.960 -3.751 1.00 0.16 O ATOM 736 CB PRO A 59 -5.464 0.874 -1.532 1.00 0.20 C ATOM 737 CG PRO A 59 -5.421 2.010 -2.494 1.00 0.32 C ATOM 738 CD PRO A 59 -3.979 2.263 -2.835 1.00 0.20 C ATOM 0 HA PRO A 59 -3.773 -0.256 -0.751 1.00 0.16 H new ATOM 0 HB2 PRO A 59 -6.315 0.224 -1.735 1.00 0.20 H new ATOM 0 HB3 PRO A 59 -5.575 1.234 -0.509 1.00 0.20 H new ATOM 0 HG2 PRO A 59 -5.991 1.773 -3.392 1.00 0.32 H new ATOM 0 HG3 PRO A 59 -5.873 2.900 -2.056 1.00 0.32 H new ATOM 0 HD2 PRO A 59 -3.843 2.390 -3.909 1.00 0.20 H new ATOM 0 HD3 PRO A 59 -3.613 3.172 -2.358 1.00 0.20 H new ATOM 746 N LYS A 60 -3.916 -2.258 -2.131 1.00 0.14 N ATOM 747 CA LYS A 60 -3.819 -3.419 -2.994 1.00 0.14 C ATOM 748 C LYS A 60 -4.727 -4.546 -2.536 1.00 0.13 C ATOM 749 O LYS A 60 -4.869 -4.818 -1.340 1.00 0.14 O ATOM 750 CB LYS A 60 -2.368 -3.885 -3.072 1.00 0.16 C ATOM 751 CG LYS A 60 -1.457 -2.859 -3.726 1.00 0.20 C ATOM 752 CD LYS A 60 -0.008 -3.301 -3.713 1.00 0.29 C ATOM 753 CE LYS A 60 0.878 -2.330 -4.478 1.00 0.39 C ATOM 754 NZ LYS A 60 0.420 -2.126 -5.879 1.00 0.82 N ATOM 0 H LYS A 60 -3.664 -2.426 -1.157 1.00 0.14 H new ATOM 0 HA LYS A 60 -4.155 -3.128 -3.989 1.00 0.14 H new ATOM 0 HB2 LYS A 60 -2.005 -4.099 -2.067 1.00 0.16 H new ATOM 0 HB3 LYS A 60 -2.320 -4.818 -3.634 1.00 0.16 H new ATOM 0 HG2 LYS A 60 -1.777 -2.693 -4.755 1.00 0.20 H new ATOM 0 HG3 LYS A 60 -1.551 -1.906 -3.205 1.00 0.20 H new ATOM 0 HD2 LYS A 60 0.340 -3.379 -2.683 1.00 0.29 H new ATOM 0 HD3 LYS A 60 0.074 -4.295 -4.153 1.00 0.29 H new ATOM 0 HE2 LYS A 60 0.893 -1.371 -3.960 1.00 0.39 H new ATOM 0 HE3 LYS A 60 1.902 -2.704 -4.484 1.00 0.39 H new ATOM 0 HZ1 LYS A 60 1.236 -1.896 -6.481 1.00 0.82 H new ATOM 0 HZ2 LYS A 60 -0.033 -2.995 -6.226 1.00 0.82 H new ATOM 0 HZ3 LYS A 60 -0.264 -1.343 -5.910 1.00 0.82 H new ATOM 768 N ARG A 61 -5.340 -5.196 -3.504 1.00 0.15 N ATOM 769 CA ARG A 61 -6.293 -6.250 -3.234 1.00 0.17 C ATOM 770 C ARG A 61 -5.693 -7.616 -3.512 1.00 0.17 C ATOM 771 O ARG A 61 -4.619 -7.725 -4.109 1.00 0.22 O ATOM 772 CB ARG A 61 -7.539 -6.050 -4.074 1.00 0.28 C ATOM 773 CG ARG A 61 -7.284 -6.025 -5.563 1.00 0.39 C ATOM 774 CD ARG A 61 -8.590 -5.934 -6.310 1.00 0.70 C ATOM 775 NE ARG A 61 -8.408 -6.010 -7.759 1.00 0.64 N ATOM 776 CZ ARG A 61 -9.385 -5.812 -8.645 1.00 1.22 C ATOM 777 NH1 ARG A 61 -10.610 -5.501 -8.233 1.00 2.00 N ATOM 778 NH2 ARG A 61 -9.132 -5.915 -9.943 1.00 1.20 N ATOM 0 H ARG A 61 -5.192 -5.009 -4.496 1.00 0.15 H new ATOM 0 HA ARG A 61 -6.559 -6.205 -2.178 1.00 0.17 H new ATOM 0 HB2 ARG A 61 -8.246 -6.849 -3.851 1.00 0.28 H new ATOM 0 HB3 ARG A 61 -8.014 -5.113 -3.782 1.00 0.28 H new ATOM 0 HG2 ARG A 61 -6.651 -5.175 -5.817 1.00 0.39 H new ATOM 0 HG3 ARG A 61 -6.746 -6.924 -5.863 1.00 0.39 H new ATOM 0 HD2 ARG A 61 -9.248 -6.740 -5.986 1.00 0.70 H new ATOM 0 HD3 ARG A 61 -9.086 -4.997 -6.057 1.00 0.70 H new ATOM 0 HE ARG A 61 -7.477 -6.228 -8.114 1.00 0.64 H new ATOM 0 HH11 ARG A 61 -10.806 -5.413 -7.236 1.00 2.00 H new ATOM 0 HH12 ARG A 61 -11.354 -5.350 -8.914 1.00 2.00 H new ATOM 0 HH21 ARG A 61 -8.191 -6.145 -10.262 1.00 1.20 H new ATOM 0 HH22 ARG A 61 -9.878 -5.764 -10.622 1.00 1.20 H new ATOM 792 N GLY A 62 -6.399 -8.643 -3.074 1.00 0.22 N ATOM 793 CA GLY A 62 -5.972 -10.014 -3.303 1.00 0.30 C ATOM 794 C GLY A 62 -4.669 -10.366 -2.607 1.00 0.29 C ATOM 795 O GLY A 62 -4.254 -9.690 -1.660 1.00 0.37 O ATOM 0 H GLY A 62 -7.273 -8.554 -2.556 1.00 0.22 H new ATOM 0 HA2 GLY A 62 -6.753 -10.692 -2.959 1.00 0.30 H new ATOM 0 HA3 GLY A 62 -5.858 -10.177 -4.375 1.00 0.30 H new ATOM 799 N LYS A 63 -4.027 -11.427 -3.084 1.00 0.39 N ATOM 800 CA LYS A 63 -2.771 -11.898 -2.512 1.00 0.48 C ATOM 801 C LYS A 63 -1.634 -10.936 -2.854 1.00 0.40 C ATOM 802 O LYS A 63 -1.673 -10.243 -3.875 1.00 0.49 O ATOM 803 CB LYS A 63 -2.443 -13.302 -3.028 1.00 0.71 C ATOM 804 CG LYS A 63 -1.770 -13.286 -4.378 1.00 1.73 C ATOM 805 CD LYS A 63 -1.369 -14.679 -4.830 1.00 2.07 C ATOM 806 CE LYS A 63 -0.611 -14.636 -6.147 1.00 2.93 C ATOM 807 NZ LYS A 63 -0.201 -15.992 -6.597 1.00 3.72 N ATOM 0 H LYS A 63 -4.360 -11.981 -3.873 1.00 0.39 H new ATOM 0 HA LYS A 63 -2.881 -11.939 -1.428 1.00 0.48 H new ATOM 0 HB2 LYS A 63 -1.796 -13.806 -2.310 1.00 0.71 H new ATOM 0 HB3 LYS A 63 -3.362 -13.885 -3.092 1.00 0.71 H new ATOM 0 HG2 LYS A 63 -2.443 -12.846 -5.114 1.00 1.73 H new ATOM 0 HG3 LYS A 63 -0.886 -12.650 -4.335 1.00 1.73 H new ATOM 0 HD2 LYS A 63 -0.748 -15.147 -4.066 1.00 2.07 H new ATOM 0 HD3 LYS A 63 -2.259 -15.298 -4.940 1.00 2.07 H new ATOM 0 HE2 LYS A 63 -1.237 -14.174 -6.911 1.00 2.93 H new ATOM 0 HE3 LYS A 63 0.273 -14.008 -6.036 1.00 2.93 H new ATOM 0 HZ1 LYS A 63 0.313 -15.918 -7.498 1.00 3.72 H new ATOM 0 HZ2 LYS A 63 0.417 -16.423 -5.880 1.00 3.72 H new ATOM 0 HZ3 LYS A 63 -1.046 -16.585 -6.728 1.00 3.72 H new ATOM 821 N PRO A 64 -0.616 -10.869 -1.993 1.00 0.41 N ATOM 822 CA PRO A 64 0.530 -10.001 -2.190 1.00 0.38 C ATOM 823 C PRO A 64 1.680 -10.681 -2.928 1.00 0.35 C ATOM 824 O PRO A 64 1.728 -11.906 -3.059 1.00 0.44 O ATOM 825 CB PRO A 64 0.934 -9.707 -0.754 1.00 0.53 C ATOM 826 CG PRO A 64 0.708 -11.006 -0.066 1.00 0.62 C ATOM 827 CD PRO A 64 -0.507 -11.618 -0.727 1.00 0.59 C ATOM 0 HA PRO A 64 0.295 -9.130 -2.801 1.00 0.38 H new ATOM 0 HB2 PRO A 64 1.975 -9.390 -0.685 1.00 0.53 H new ATOM 0 HB3 PRO A 64 0.329 -8.911 -0.320 1.00 0.53 H new ATOM 0 HG2 PRO A 64 1.576 -11.657 -0.165 1.00 0.62 H new ATOM 0 HG3 PRO A 64 0.540 -10.859 1.001 1.00 0.62 H new ATOM 0 HD2 PRO A 64 -0.375 -12.686 -0.901 1.00 0.59 H new ATOM 0 HD3 PRO A 64 -1.400 -11.503 -0.113 1.00 0.59 H new ATOM 835 N GLN A 65 2.596 -9.859 -3.400 1.00 0.36 N ATOM 836 CA GLN A 65 3.838 -10.310 -4.012 1.00 0.32 C ATOM 837 C GLN A 65 4.906 -9.299 -3.638 1.00 0.31 C ATOM 838 O GLN A 65 4.779 -8.126 -3.986 1.00 0.41 O ATOM 839 CB GLN A 65 3.723 -10.385 -5.537 1.00 0.40 C ATOM 840 CG GLN A 65 2.572 -11.237 -6.050 1.00 0.38 C ATOM 841 CD GLN A 65 2.550 -11.341 -7.566 1.00 1.23 C ATOM 842 OE1 GLN A 65 1.486 -11.442 -8.179 1.00 1.79 O ATOM 843 NE2 GLN A 65 3.722 -11.325 -8.184 1.00 1.95 N ATOM 0 H GLN A 65 2.501 -8.844 -3.371 1.00 0.36 H new ATOM 0 HA GLN A 65 4.080 -11.311 -3.656 1.00 0.32 H new ATOM 0 HB2 GLN A 65 3.611 -9.374 -5.929 1.00 0.40 H new ATOM 0 HB3 GLN A 65 4.656 -10.780 -5.938 1.00 0.40 H new ATOM 0 HG2 GLN A 65 2.647 -12.237 -5.622 1.00 0.38 H new ATOM 0 HG3 GLN A 65 1.629 -10.812 -5.705 1.00 0.38 H new ATOM 0 HE21 GLN A 65 4.583 -11.240 -7.643 1.00 1.95 H new ATOM 0 HE22 GLN A 65 3.764 -11.398 -9.201 1.00 1.95 H new ATOM 852 N PHE A 66 5.944 -9.732 -2.949 1.00 0.32 N ATOM 853 CA PHE A 66 6.885 -8.792 -2.357 1.00 0.33 C ATOM 854 C PHE A 66 8.178 -8.694 -3.151 1.00 0.34 C ATOM 855 O PHE A 66 8.713 -9.698 -3.628 1.00 0.40 O ATOM 856 CB PHE A 66 7.193 -9.182 -0.910 1.00 0.40 C ATOM 857 CG PHE A 66 5.968 -9.345 -0.054 1.00 0.42 C ATOM 858 CD1 PHE A 66 5.155 -8.260 0.221 1.00 0.43 C ATOM 859 CD2 PHE A 66 5.635 -10.581 0.478 1.00 0.51 C ATOM 860 CE1 PHE A 66 4.030 -8.402 1.007 1.00 0.46 C ATOM 861 CE2 PHE A 66 4.510 -10.729 1.264 1.00 0.55 C ATOM 862 CZ PHE A 66 3.707 -9.654 1.526 1.00 0.50 C ATOM 0 H PHE A 66 6.159 -10.716 -2.785 1.00 0.32 H new ATOM 0 HA PHE A 66 6.410 -7.811 -2.377 1.00 0.33 H new ATOM 0 HB2 PHE A 66 7.755 -10.116 -0.907 1.00 0.40 H new ATOM 0 HB3 PHE A 66 7.836 -8.422 -0.467 1.00 0.40 H new ATOM 0 HD1 PHE A 66 5.404 -7.290 -0.184 1.00 0.43 H new ATOM 0 HD2 PHE A 66 6.262 -11.437 0.275 1.00 0.51 H new ATOM 0 HE1 PHE A 66 3.404 -7.548 1.219 1.00 0.46 H new ATOM 0 HE2 PHE A 66 4.263 -11.697 1.673 1.00 0.55 H new ATOM 0 HZ PHE A 66 2.823 -9.775 2.135 1.00 0.50 H new ATOM 872 N TYR A 67 8.661 -7.470 -3.292 1.00 0.32 N ATOM 873 CA TYR A 67 9.938 -7.203 -3.929 1.00 0.34 C ATOM 874 C TYR A 67 10.635 -6.051 -3.218 1.00 0.32 C ATOM 875 O TYR A 67 9.987 -5.231 -2.571 1.00 0.42 O ATOM 876 CB TYR A 67 9.753 -6.889 -5.415 1.00 0.43 C ATOM 877 CG TYR A 67 8.731 -5.817 -5.717 1.00 0.47 C ATOM 878 CD1 TYR A 67 9.075 -4.471 -5.713 1.00 0.52 C ATOM 879 CD2 TYR A 67 7.424 -6.157 -6.031 1.00 0.53 C ATOM 880 CE1 TYR A 67 8.142 -3.499 -6.017 1.00 0.63 C ATOM 881 CE2 TYR A 67 6.492 -5.194 -6.330 1.00 0.61 C ATOM 882 CZ TYR A 67 6.850 -3.868 -6.325 1.00 0.65 C ATOM 883 OH TYR A 67 5.911 -2.910 -6.636 1.00 0.79 O ATOM 0 H TYR A 67 8.177 -6.633 -2.967 1.00 0.32 H new ATOM 0 HA TYR A 67 10.560 -8.095 -3.854 1.00 0.34 H new ATOM 0 HB2 TYR A 67 10.713 -6.582 -5.829 1.00 0.43 H new ATOM 0 HB3 TYR A 67 9.462 -7.804 -5.931 1.00 0.43 H new ATOM 0 HD1 TYR A 67 10.086 -4.181 -5.469 1.00 0.52 H new ATOM 0 HD2 TYR A 67 7.134 -7.197 -6.041 1.00 0.53 H new ATOM 0 HE1 TYR A 67 8.423 -2.456 -6.013 1.00 0.63 H new ATOM 0 HE2 TYR A 67 5.478 -5.479 -6.569 1.00 0.61 H new ATOM 0 HH TYR A 67 5.020 -3.230 -6.381 1.00 0.79 H new ATOM 893 N LYS A 68 11.951 -5.992 -3.333 1.00 0.39 N ATOM 894 CA LYS A 68 12.728 -4.975 -2.643 1.00 0.39 C ATOM 895 C LYS A 68 12.658 -3.645 -3.389 1.00 0.41 C ATOM 896 O LYS A 68 13.248 -3.491 -4.458 1.00 0.58 O ATOM 897 CB LYS A 68 14.185 -5.431 -2.487 1.00 0.50 C ATOM 898 CG LYS A 68 15.086 -4.414 -1.793 1.00 1.29 C ATOM 899 CD LYS A 68 14.467 -3.885 -0.505 1.00 1.36 C ATOM 900 CE LYS A 68 14.190 -4.997 0.494 1.00 0.92 C ATOM 901 NZ LYS A 68 15.439 -5.534 1.093 1.00 1.27 N ATOM 0 H LYS A 68 12.504 -6.636 -3.898 1.00 0.39 H new ATOM 0 HA LYS A 68 12.303 -4.831 -1.650 1.00 0.39 H new ATOM 0 HB2 LYS A 68 14.204 -6.363 -1.921 1.00 0.50 H new ATOM 0 HB3 LYS A 68 14.594 -5.649 -3.474 1.00 0.50 H new ATOM 0 HG2 LYS A 68 16.048 -4.875 -1.570 1.00 1.29 H new ATOM 0 HG3 LYS A 68 15.281 -3.582 -2.469 1.00 1.29 H new ATOM 0 HD2 LYS A 68 15.137 -3.153 -0.055 1.00 1.36 H new ATOM 0 HD3 LYS A 68 13.537 -3.366 -0.737 1.00 1.36 H new ATOM 0 HE2 LYS A 68 13.542 -4.620 1.285 1.00 0.92 H new ATOM 0 HE3 LYS A 68 13.651 -5.804 -0.002 1.00 0.92 H new ATOM 0 HZ1 LYS A 68 15.203 -6.290 1.768 1.00 1.27 H new ATOM 0 HZ2 LYS A 68 16.047 -5.918 0.342 1.00 1.27 H new ATOM 0 HZ3 LYS A 68 15.942 -4.771 1.589 1.00 1.27 H new ATOM 915 N TYR A 69 11.911 -2.705 -2.830 1.00 0.32 N ATOM 916 CA TYR A 69 11.804 -1.366 -3.387 1.00 0.42 C ATOM 917 C TYR A 69 11.975 -0.338 -2.275 1.00 0.40 C ATOM 918 O TYR A 69 11.091 -0.171 -1.433 1.00 0.60 O ATOM 919 CB TYR A 69 10.450 -1.173 -4.083 1.00 0.53 C ATOM 920 CG TYR A 69 10.334 0.113 -4.881 1.00 0.71 C ATOM 921 CD1 TYR A 69 10.246 1.349 -4.250 1.00 0.61 C ATOM 922 CD2 TYR A 69 10.306 0.089 -6.269 1.00 1.06 C ATOM 923 CE1 TYR A 69 10.135 2.518 -4.975 1.00 0.78 C ATOM 924 CE2 TYR A 69 10.194 1.254 -7.002 1.00 1.24 C ATOM 925 CZ TYR A 69 10.108 2.466 -6.350 1.00 1.08 C ATOM 926 OH TYR A 69 9.994 3.631 -7.077 1.00 1.27 O ATOM 0 H TYR A 69 11.364 -2.848 -1.981 1.00 0.32 H new ATOM 0 HA TYR A 69 12.590 -1.230 -4.130 1.00 0.42 H new ATOM 0 HB2 TYR A 69 10.274 -2.017 -4.750 1.00 0.53 H new ATOM 0 HB3 TYR A 69 9.662 -1.192 -3.330 1.00 0.53 H new ATOM 0 HD1 TYR A 69 10.265 1.395 -3.171 1.00 0.61 H new ATOM 0 HD2 TYR A 69 10.373 -0.858 -6.785 1.00 1.06 H new ATOM 0 HE1 TYR A 69 10.070 3.468 -4.466 1.00 0.78 H new ATOM 0 HE2 TYR A 69 10.174 1.216 -8.081 1.00 1.24 H new ATOM 0 HH TYR A 69 9.991 3.420 -8.034 1.00 1.27 H new ATOM 936 N LEU A 70 13.115 0.333 -2.265 1.00 0.53 N ATOM 937 CA LEU A 70 13.384 1.351 -1.265 1.00 0.52 C ATOM 938 C LEU A 70 12.397 2.504 -1.408 1.00 0.48 C ATOM 939 O LEU A 70 12.316 3.140 -2.461 1.00 0.75 O ATOM 940 CB LEU A 70 14.813 1.876 -1.409 1.00 0.71 C ATOM 941 CG LEU A 70 15.262 2.833 -0.305 1.00 0.88 C ATOM 942 CD1 LEU A 70 15.698 2.059 0.929 1.00 1.34 C ATOM 943 CD2 LEU A 70 16.375 3.736 -0.801 1.00 1.65 C ATOM 0 H LEU A 70 13.868 0.191 -2.938 1.00 0.53 H new ATOM 0 HA LEU A 70 13.269 0.902 -0.278 1.00 0.52 H new ATOM 0 HB2 LEU A 70 15.496 1.027 -1.433 1.00 0.71 H new ATOM 0 HB3 LEU A 70 14.903 2.384 -2.369 1.00 0.71 H new ATOM 0 HG LEU A 70 14.416 3.462 -0.028 1.00 0.88 H new ATOM 0 HD11 LEU A 70 16.014 2.758 1.704 1.00 1.34 H new ATOM 0 HD12 LEU A 70 14.864 1.462 1.297 1.00 1.34 H new ATOM 0 HD13 LEU A 70 16.529 1.402 0.672 1.00 1.34 H new ATOM 0 HD21 LEU A 70 16.681 4.410 -0.001 1.00 1.65 H new ATOM 0 HD22 LEU A 70 17.226 3.129 -1.109 1.00 1.65 H new ATOM 0 HD23 LEU A 70 16.019 4.319 -1.650 1.00 1.65 H new ATOM 955 N GLY A 71 11.657 2.770 -0.349 1.00 0.40 N ATOM 956 CA GLY A 71 10.644 3.802 -0.390 1.00 0.49 C ATOM 957 C GLY A 71 9.239 3.244 -0.260 1.00 0.40 C ATOM 958 O GLY A 71 8.335 3.944 0.192 1.00 0.43 O ATOM 0 H GLY A 71 11.739 2.287 0.546 1.00 0.40 H new ATOM 0 HA2 GLY A 71 10.824 4.515 0.415 1.00 0.49 H new ATOM 0 HA3 GLY A 71 10.728 4.351 -1.328 1.00 0.49 H new ATOM 962 N ASP A 72 9.049 1.987 -0.645 1.00 0.38 N ATOM 963 CA ASP A 72 7.731 1.367 -0.565 1.00 0.36 C ATOM 964 C ASP A 72 7.532 0.717 0.792 1.00 0.42 C ATOM 965 O ASP A 72 8.261 -0.199 1.171 1.00 0.70 O ATOM 966 CB ASP A 72 7.527 0.317 -1.667 1.00 0.47 C ATOM 967 CG ASP A 72 7.199 0.917 -3.023 1.00 1.16 C ATOM 968 OD1 ASP A 72 7.420 2.134 -3.205 1.00 1.80 O ATOM 969 OD2 ASP A 72 6.723 0.184 -3.913 1.00 1.61 O ATOM 0 H ASP A 72 9.783 1.382 -1.012 1.00 0.38 H new ATOM 0 HA ASP A 72 6.994 2.158 -0.705 1.00 0.36 H new ATOM 0 HB2 ASP A 72 8.431 -0.286 -1.755 1.00 0.47 H new ATOM 0 HB3 ASP A 72 6.722 -0.356 -1.372 1.00 0.47 H new ATOM 974 N MET A 73 6.560 1.206 1.537 1.00 0.26 N ATOM 975 CA MET A 73 6.224 0.612 2.815 1.00 0.28 C ATOM 976 C MET A 73 4.920 -0.149 2.679 1.00 0.22 C ATOM 977 O MET A 73 3.873 0.449 2.454 1.00 0.20 O ATOM 978 CB MET A 73 6.068 1.698 3.883 1.00 0.32 C ATOM 979 CG MET A 73 7.265 2.622 4.014 1.00 0.46 C ATOM 980 SD MET A 73 7.001 3.905 5.254 1.00 1.34 S ATOM 981 CE MET A 73 8.546 4.803 5.154 1.00 2.00 C ATOM 0 H MET A 73 5.990 2.012 1.280 1.00 0.26 H new ATOM 0 HA MET A 73 7.024 -0.064 3.116 1.00 0.28 H new ATOM 0 HB2 MET A 73 5.186 2.295 3.651 1.00 0.32 H new ATOM 0 HB3 MET A 73 5.885 1.221 4.846 1.00 0.32 H new ATOM 0 HG2 MET A 73 8.146 2.038 4.280 1.00 0.46 H new ATOM 0 HG3 MET A 73 7.470 3.087 3.050 1.00 0.46 H new ATOM 0 HE1 MET A 73 9.095 4.688 6.088 1.00 2.00 H new ATOM 0 HE2 MET A 73 9.143 4.409 4.331 1.00 2.00 H new ATOM 0 HE3 MET A 73 8.342 5.860 4.981 1.00 2.00 H new ATOM 991 N THR A 74 4.964 -1.455 2.839 1.00 0.23 N ATOM 992 CA THR A 74 3.766 -2.252 2.678 1.00 0.21 C ATOM 993 C THR A 74 3.155 -2.593 4.028 1.00 0.26 C ATOM 994 O THR A 74 3.678 -3.414 4.779 1.00 0.34 O ATOM 995 CB THR A 74 4.034 -3.535 1.855 1.00 0.23 C ATOM 996 OG1 THR A 74 4.376 -3.179 0.508 1.00 0.23 O ATOM 997 CG2 THR A 74 2.815 -4.448 1.833 1.00 0.29 C ATOM 0 H THR A 74 5.804 -1.982 3.077 1.00 0.23 H new ATOM 0 HA THR A 74 3.049 -1.650 2.119 1.00 0.21 H new ATOM 0 HB THR A 74 4.858 -4.070 2.327 1.00 0.23 H new ATOM 0 HG1 THR A 74 5.274 -2.786 0.491 1.00 0.23 H new ATOM 0 HG21 THR A 74 3.038 -5.339 1.246 1.00 0.29 H new ATOM 0 HG22 THR A 74 2.560 -4.739 2.852 1.00 0.29 H new ATOM 0 HG23 THR A 74 1.973 -3.920 1.385 1.00 0.29 H new ATOM 1005 N GLY A 75 2.058 -1.923 4.339 1.00 0.27 N ATOM 1006 CA GLY A 75 1.314 -2.234 5.534 1.00 0.32 C ATOM 1007 C GLY A 75 0.252 -3.268 5.233 1.00 0.24 C ATOM 1008 O GLY A 75 -0.483 -3.136 4.253 1.00 0.25 O ATOM 0 H GLY A 75 1.669 -1.164 3.779 1.00 0.27 H new ATOM 0 HA2 GLY A 75 1.988 -2.608 6.304 1.00 0.32 H new ATOM 0 HA3 GLY A 75 0.850 -1.330 5.928 1.00 0.32 H new ATOM 1012 N SER A 76 0.182 -4.303 6.054 1.00 0.38 N ATOM 1013 CA SER A 76 -0.731 -5.417 5.823 1.00 0.50 C ATOM 1014 C SER A 76 -2.162 -5.044 6.225 1.00 0.61 C ATOM 1015 O SER A 76 -2.787 -5.726 7.042 1.00 1.52 O ATOM 1016 CB SER A 76 -0.248 -6.644 6.605 1.00 0.73 C ATOM 1017 OG SER A 76 -0.871 -7.832 6.149 1.00 1.40 O ATOM 0 H SER A 76 0.751 -4.397 6.895 1.00 0.38 H new ATOM 0 HA SER A 76 -0.739 -5.653 4.759 1.00 0.50 H new ATOM 0 HB2 SER A 76 0.833 -6.738 6.504 1.00 0.73 H new ATOM 0 HB3 SER A 76 -0.458 -6.506 7.666 1.00 0.73 H new ATOM 0 HG SER A 76 -1.843 -7.750 6.245 1.00 1.40 H new ATOM 1023 N ARG A 77 -2.660 -3.956 5.630 1.00 0.62 N ATOM 1024 CA ARG A 77 -3.995 -3.420 5.902 1.00 0.54 C ATOM 1025 C ARG A 77 -4.079 -2.840 7.310 1.00 0.64 C ATOM 1026 O ARG A 77 -4.127 -1.626 7.483 1.00 1.08 O ATOM 1027 CB ARG A 77 -5.083 -4.481 5.687 1.00 0.59 C ATOM 1028 CG ARG A 77 -6.475 -3.998 6.057 1.00 1.14 C ATOM 1029 CD ARG A 77 -7.534 -5.044 5.759 1.00 1.04 C ATOM 1030 NE ARG A 77 -8.828 -4.669 6.322 1.00 1.78 N ATOM 1031 CZ ARG A 77 -9.848 -4.187 5.616 1.00 2.04 C ATOM 1032 NH1 ARG A 77 -9.749 -4.034 4.298 1.00 1.93 N ATOM 1033 NH2 ARG A 77 -10.976 -3.856 6.235 1.00 2.94 N ATOM 0 H ARG A 77 -2.140 -3.417 4.938 1.00 0.62 H new ATOM 0 HA ARG A 77 -4.171 -2.613 5.190 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -5.079 -4.789 4.641 1.00 0.59 H new ATOM 0 HB3 ARG A 77 -4.843 -5.363 6.280 1.00 0.59 H new ATOM 0 HG2 ARG A 77 -6.502 -3.746 7.117 1.00 1.14 H new ATOM 0 HG3 ARG A 77 -6.701 -3.085 5.506 1.00 1.14 H new ATOM 0 HD2 ARG A 77 -7.628 -5.171 4.681 1.00 1.04 H new ATOM 0 HD3 ARG A 77 -7.223 -6.005 6.168 1.00 1.04 H new ATOM 0 HE ARG A 77 -8.959 -4.785 7.327 1.00 1.78 H new ATOM 0 HH11 ARG A 77 -8.885 -4.287 3.819 1.00 1.93 H new ATOM 0 HH12 ARG A 77 -10.537 -3.664 3.767 1.00 1.93 H new ATOM 0 HH21 ARG A 77 -11.056 -3.972 7.245 1.00 2.94 H new ATOM 0 HH22 ARG A 77 -11.762 -3.486 5.700 1.00 2.94 H new ATOM 1047 N THR A 78 -4.085 -3.708 8.305 1.00 0.91 N ATOM 1048 CA THR A 78 -4.176 -3.297 9.693 1.00 1.05 C ATOM 1049 C THR A 78 -3.333 -4.213 10.566 1.00 1.42 C ATOM 1050 O THR A 78 -3.134 -5.384 10.239 1.00 2.15 O ATOM 1051 CB THR A 78 -5.636 -3.316 10.188 1.00 1.57 C ATOM 1052 OG1 THR A 78 -6.317 -4.462 9.659 1.00 2.50 O ATOM 1053 CG2 THR A 78 -6.375 -2.047 9.788 1.00 2.05 C ATOM 0 H THR A 78 -4.027 -4.718 8.173 1.00 0.91 H new ATOM 0 HA THR A 78 -3.801 -2.276 9.763 1.00 1.05 H new ATOM 0 HB THR A 78 -5.621 -3.370 11.277 1.00 1.57 H new ATOM 0 HG1 THR A 78 -7.243 -4.469 9.979 1.00 2.50 H new ATOM 0 HG21 THR A 78 -7.401 -2.093 10.153 1.00 2.05 H new ATOM 0 HG22 THR A 78 -5.874 -1.182 10.223 1.00 2.05 H new ATOM 0 HG23 THR A 78 -6.380 -1.956 8.702 1.00 2.05 H new ATOM 1061 N CYS A 79 -2.822 -3.681 11.660 1.00 1.67 N ATOM 1062 CA CYS A 79 -2.026 -4.468 12.580 1.00 2.22 C ATOM 1063 C CYS A 79 -2.779 -4.639 13.893 1.00 2.94 C ATOM 1064 O CYS A 79 -3.362 -5.722 14.108 1.00 3.37 O ATOM 1065 CB CYS A 79 -0.668 -3.805 12.815 1.00 2.48 C ATOM 1066 SG CYS A 79 0.533 -4.852 13.702 1.00 2.56 S ATOM 0 H CYS A 79 -2.945 -2.706 11.933 1.00 1.67 H new ATOM 0 HA CYS A 79 -1.849 -5.452 12.147 1.00 2.22 H new ATOM 0 HB2 CYS A 79 -0.244 -3.521 11.852 1.00 2.48 H new ATOM 0 HB3 CYS A 79 -0.818 -2.885 13.381 1.00 2.48 H new TER 1071 CYS A 79