USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 HIS : no HE2:sc= -12.6! C(o=-21!,f=-22!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 66 ASN : amide:sc= -8.04! C(o=-21!,f=-28!) USER MOD Set 2.1: A 27 MET CE :methyl -170:sc= 0 (180deg=-0.116) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ 129:sc= 0.0501 (180deg=-0.0463) USER MOD Single : A 5 THR OG1 : rot -122:sc= 0.382! USER MOD Single : A 6 THR OG1 : rot -47:sc= 1.07 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0948 USER MOD Single : A 9 SER OG : rot 180:sc= -0.953 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0356 X(o=-0.036,f=-0.074) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 73:sc= 1.23 USER MOD Single : A 35 SER OG : rot 36:sc= 0.228 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.496 USER MOD Single : A 68 HIS : no HE2:sc= -11.5! C(o=-12!,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= -0.112 USER MOD Single : B 185 SER OG : rot -44:sc= 0.645 USER MOD Single : B 187 TYR OH : rot -71:sc= 1.27 USER MOD Single : B 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 TYR OH : rot 160:sc= -0.667! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.423 14.260 -4.617 1.00 1.84 N ATOM 2 CA ILE A 1 0.902 12.857 -4.530 1.00 1.28 C ATOM 3 C ILE A 1 -0.103 11.979 -3.783 1.00 1.18 C ATOM 4 O ILE A 1 -0.884 12.472 -2.970 1.00 1.52 O ATOM 5 CB ILE A 1 2.276 12.788 -3.835 1.00 1.23 C ATOM 6 CG1 ILE A 1 2.891 11.401 -4.009 1.00 1.40 C ATOM 7 CG2 ILE A 1 2.163 13.146 -2.361 1.00 1.76 C ATOM 8 CD1 ILE A 1 4.378 11.440 -4.266 1.00 1.67 C ATOM 0 H1 ILE A 1 1.171 14.903 -4.288 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.182 14.484 -5.604 1.00 1.84 H new ATOM 0 H3 ILE A 1 -0.421 14.376 -4.020 1.00 1.84 H new ATOM 0 HA ILE A 1 1.004 12.480 -5.548 1.00 1.28 H new ATOM 0 HB ILE A 1 2.932 13.520 -4.306 1.00 1.23 H new ATOM 0 HG12 ILE A 1 2.699 10.810 -3.114 1.00 1.40 H new ATOM 0 HG13 ILE A 1 2.398 10.893 -4.838 1.00 1.40 H new ATOM 0 HG21 ILE A 1 3.147 13.089 -1.896 1.00 1.76 H new ATOM 0 HG22 ILE A 1 1.773 14.159 -2.261 1.00 1.76 H new ATOM 0 HG23 ILE A 1 1.488 12.447 -1.868 1.00 1.76 H new ATOM 0 HD11 ILE A 1 4.754 10.423 -4.381 1.00 1.67 H new ATOM 0 HD12 ILE A 1 4.575 12.005 -5.177 1.00 1.67 H new ATOM 0 HD13 ILE A 1 4.880 11.920 -3.426 1.00 1.67 H new ATOM 22 N VAL A 2 -0.087 10.680 -4.069 1.00 0.91 N ATOM 23 CA VAL A 2 -1.007 9.747 -3.426 1.00 0.84 C ATOM 24 C VAL A 2 -0.249 8.576 -2.806 1.00 0.73 C ATOM 25 O VAL A 2 0.891 8.307 -3.185 1.00 0.75 O ATOM 26 CB VAL A 2 -2.056 9.223 -4.434 1.00 0.97 C ATOM 27 CG1 VAL A 2 -1.428 8.280 -5.452 1.00 1.37 C ATOM 28 CG2 VAL A 2 -3.207 8.545 -3.714 1.00 1.66 C ATOM 0 H VAL A 2 0.551 10.251 -4.739 1.00 0.91 H new ATOM 0 HA VAL A 2 -1.525 10.286 -2.633 1.00 0.84 H new ATOM 0 HB VAL A 2 -2.449 10.083 -4.976 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -2.193 7.931 -6.145 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -0.651 8.807 -6.005 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -0.990 7.426 -4.935 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.932 8.185 -4.444 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.828 7.704 -3.134 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -3.689 9.259 -3.046 1.00 1.66 H new ATOM 38 N CYS A 3 -0.871 7.880 -1.855 1.00 0.75 N ATOM 39 CA CYS A 3 -0.218 6.753 -1.211 1.00 0.76 C ATOM 40 C CYS A 3 -1.201 5.905 -0.420 1.00 0.74 C ATOM 41 O CYS A 3 -2.082 6.416 0.265 1.00 0.79 O ATOM 42 CB CYS A 3 0.915 7.233 -0.306 1.00 0.86 C ATOM 43 SG CYS A 3 2.299 6.055 -0.203 1.00 1.18 S ATOM 0 H CYS A 3 -1.814 8.077 -1.520 1.00 0.75 H new ATOM 0 HA CYS A 3 0.199 6.127 -1.999 1.00 0.76 H new ATOM 0 HB2 CYS A 3 1.287 8.189 -0.676 1.00 0.86 H new ATOM 0 HB3 CYS A 3 0.522 7.410 0.695 1.00 0.86 H new ATOM 48 N HIS A 4 -1.030 4.600 -0.536 1.00 1.00 N ATOM 49 CA HIS A 4 -1.884 3.642 0.151 1.00 1.15 C ATOM 50 C HIS A 4 -1.800 3.804 1.662 1.00 1.39 C ATOM 51 O HIS A 4 -0.798 4.277 2.198 1.00 1.83 O ATOM 52 CB HIS A 4 -1.503 2.217 -0.245 1.00 1.50 C ATOM 53 CG HIS A 4 -2.018 1.817 -1.593 1.00 1.65 C ATOM 54 ND1 HIS A 4 -3.189 1.109 -1.766 1.00 2.53 N ATOM 55 CD2 HIS A 4 -1.526 2.037 -2.837 1.00 1.60 C ATOM 56 CE1 HIS A 4 -3.395 0.910 -3.053 1.00 3.06 C ATOM 57 NE2 HIS A 4 -2.403 1.463 -3.726 1.00 2.46 N ATOM 0 H HIS A 4 -0.299 4.174 -1.106 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.913 3.837 -0.151 1.00 1.15 H new ATOM 0 HB2 HIS A 4 -0.417 2.123 -0.237 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.888 1.524 0.503 1.00 1.50 H new ATOM 0 HD1 HIS A 4 -3.801 0.789 -1.015 1.00 2.53 H new ATOM 0 HD2 HIS A 4 -0.616 2.564 -3.083 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -4.234 0.383 -3.484 1.00 3.06 H new ATOM 66 N THR A 5 -2.866 3.401 2.342 1.00 1.34 N ATOM 67 CA THR A 5 -2.935 3.489 3.793 1.00 1.76 C ATOM 68 C THR A 5 -1.837 2.634 4.434 1.00 1.62 C ATOM 69 O THR A 5 -0.801 2.388 3.819 1.00 2.15 O ATOM 70 CB THR A 5 -4.325 3.049 4.262 1.00 2.22 C ATOM 71 OG1 THR A 5 -4.380 2.937 5.674 1.00 2.90 O ATOM 72 CG2 THR A 5 -4.759 1.725 3.671 1.00 2.13 C ATOM 0 H THR A 5 -3.700 3.007 1.907 1.00 1.34 H new ATOM 0 HA THR A 5 -2.771 4.521 4.103 1.00 1.76 H new ATOM 0 HB THR A 5 -5.004 3.827 3.913 1.00 2.22 H new ATOM 0 HG1 THR A 5 -4.644 2.026 5.920 1.00 2.90 H new ATOM 0 HG21 THR A 5 -5.751 1.469 4.042 1.00 2.13 H new ATOM 0 HG22 THR A 5 -4.787 1.803 2.584 1.00 2.13 H new ATOM 0 HG23 THR A 5 -4.052 0.948 3.961 1.00 2.13 H new ATOM 80 N THR A 6 -2.060 2.191 5.671 1.00 1.66 N ATOM 81 CA THR A 6 -1.080 1.377 6.382 1.00 2.10 C ATOM 82 C THR A 6 -1.286 -0.115 6.121 1.00 1.68 C ATOM 83 O THR A 6 -0.847 -0.954 6.908 1.00 2.39 O ATOM 84 CB THR A 6 -1.155 1.655 7.885 1.00 2.95 C ATOM 85 OG1 THR A 6 -0.141 0.948 8.576 1.00 3.66 O ATOM 86 CG2 THR A 6 -2.483 1.273 8.500 1.00 3.19 C ATOM 0 H THR A 6 -2.911 2.383 6.200 1.00 1.66 H new ATOM 0 HA THR A 6 -0.093 1.650 6.008 1.00 2.10 H new ATOM 0 HB THR A 6 -1.025 2.732 7.986 1.00 2.95 H new ATOM 0 HG1 THR A 6 -0.118 0.020 8.263 1.00 3.66 H new ATOM 0 HG21 THR A 6 -2.468 1.496 9.567 1.00 3.19 H new ATOM 0 HG22 THR A 6 -3.282 1.840 8.022 1.00 3.19 H new ATOM 0 HG23 THR A 6 -2.658 0.207 8.355 1.00 3.19 H new ATOM 94 N ALA A 7 -1.950 -0.447 5.013 1.00 1.08 N ATOM 95 CA ALA A 7 -2.197 -1.844 4.664 1.00 1.16 C ATOM 96 C ALA A 7 -2.928 -2.577 5.780 1.00 1.13 C ATOM 97 O ALA A 7 -2.662 -3.749 6.037 1.00 1.34 O ATOM 98 CB ALA A 7 -0.884 -2.541 4.349 1.00 1.59 C ATOM 0 H ALA A 7 -2.324 0.229 4.346 1.00 1.08 H new ATOM 0 HA ALA A 7 -2.836 -1.862 3.781 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -1.078 -3.582 4.090 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -0.400 -2.042 3.510 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -0.232 -2.500 5.221 1.00 1.59 H new ATOM 104 N THR A 8 -3.857 -1.889 6.439 1.00 1.25 N ATOM 105 CA THR A 8 -4.628 -2.502 7.520 1.00 1.44 C ATOM 106 C THR A 8 -5.156 -3.859 7.072 1.00 1.50 C ATOM 107 O THR A 8 -5.125 -4.836 7.820 1.00 2.19 O ATOM 108 CB THR A 8 -5.787 -1.593 7.937 1.00 1.67 C ATOM 109 OG1 THR A 8 -5.730 -0.356 7.251 1.00 2.24 O ATOM 110 CG2 THR A 8 -5.803 -1.291 9.421 1.00 2.08 C ATOM 0 H THR A 8 -4.094 -0.916 6.247 1.00 1.25 H new ATOM 0 HA THR A 8 -3.975 -2.640 8.382 1.00 1.44 H new ATOM 0 HB THR A 8 -6.692 -2.144 7.681 1.00 1.67 H new ATOM 0 HG1 THR A 8 -6.481 0.208 7.531 1.00 2.24 H new ATOM 0 HG21 THR A 8 -6.648 -0.642 9.651 1.00 2.08 H new ATOM 0 HG22 THR A 8 -5.897 -2.222 9.981 1.00 2.08 H new ATOM 0 HG23 THR A 8 -4.876 -0.791 9.701 1.00 2.08 H new ATOM 118 N SER A 9 -5.623 -3.905 5.830 1.00 1.21 N ATOM 119 CA SER A 9 -6.146 -5.125 5.237 1.00 1.26 C ATOM 120 C SER A 9 -6.631 -4.861 3.815 1.00 1.26 C ATOM 121 O SER A 9 -6.111 -5.433 2.859 1.00 1.68 O ATOM 122 CB SER A 9 -7.264 -5.696 6.099 1.00 1.48 C ATOM 123 OG SER A 9 -8.387 -6.075 5.319 1.00 1.90 O ATOM 0 H SER A 9 -5.649 -3.097 5.208 1.00 1.21 H new ATOM 0 HA SER A 9 -5.345 -5.862 5.189 1.00 1.26 H new ATOM 0 HB2 SER A 9 -6.894 -6.562 6.649 1.00 1.48 H new ATOM 0 HB3 SER A 9 -7.568 -4.955 6.838 1.00 1.48 H new ATOM 0 HG SER A 9 -9.084 -6.439 5.904 1.00 1.90 H new ATOM 129 N PRO A 10 -7.628 -3.975 3.656 1.00 1.28 N ATOM 130 CA PRO A 10 -8.161 -3.631 2.341 1.00 1.45 C ATOM 131 C PRO A 10 -7.238 -2.679 1.595 1.00 1.28 C ATOM 132 O PRO A 10 -7.314 -1.462 1.765 1.00 1.62 O ATOM 133 CB PRO A 10 -9.480 -2.946 2.665 1.00 1.78 C ATOM 134 CG PRO A 10 -9.262 -2.328 4.006 1.00 2.09 C ATOM 135 CD PRO A 10 -8.300 -3.229 4.738 1.00 1.74 C ATOM 0 HA PRO A 10 -8.269 -4.502 1.695 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -9.730 -2.193 1.917 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -10.303 -3.660 2.686 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -8.854 -1.322 3.908 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -10.202 -2.239 4.550 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -7.588 -2.656 5.332 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -8.820 -3.899 5.423 1.00 1.74 H new ATOM 143 N ILE A 11 -6.359 -3.241 0.779 1.00 1.07 N ATOM 144 CA ILE A 11 -5.409 -2.442 0.012 1.00 1.06 C ATOM 145 C ILE A 11 -6.127 -1.391 -0.829 1.00 1.20 C ATOM 146 O ILE A 11 -6.574 -1.667 -1.942 1.00 1.48 O ATOM 147 CB ILE A 11 -4.538 -3.325 -0.905 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.913 -4.476 -0.109 1.00 1.28 C ATOM 149 CG2 ILE A 11 -3.455 -2.490 -1.573 1.00 1.71 C ATOM 150 CD1 ILE A 11 -2.911 -4.028 0.936 1.00 1.20 C ATOM 0 H ILE A 11 -6.282 -4.247 0.629 1.00 1.07 H new ATOM 0 HA ILE A 11 -4.762 -1.941 0.732 1.00 1.06 H new ATOM 0 HB ILE A 11 -5.175 -3.750 -1.680 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -4.707 -5.039 0.381 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -3.420 -5.158 -0.802 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -2.849 -3.128 -2.217 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -3.918 -1.705 -2.172 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -2.821 -2.038 -0.810 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -2.514 -4.900 1.456 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -2.095 -3.491 0.451 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -3.402 -3.370 1.653 1.00 1.20 H new ATOM 162 N SER A 12 -6.235 -0.184 -0.282 1.00 1.20 N ATOM 163 CA SER A 12 -6.898 0.916 -0.970 1.00 1.43 C ATOM 164 C SER A 12 -6.056 2.185 -0.896 1.00 1.63 C ATOM 165 O SER A 12 -5.921 2.795 0.164 1.00 2.44 O ATOM 166 CB SER A 12 -8.278 1.169 -0.360 1.00 1.77 C ATOM 167 OG SER A 12 -9.274 0.411 -1.023 1.00 2.15 O ATOM 0 H SER A 12 -5.870 0.057 0.640 1.00 1.20 H new ATOM 0 HA SER A 12 -7.018 0.640 -2.018 1.00 1.43 H new ATOM 0 HB2 SER A 12 -8.264 0.910 0.699 1.00 1.77 H new ATOM 0 HB3 SER A 12 -8.520 2.230 -0.426 1.00 1.77 H new ATOM 0 HG SER A 12 -10.147 0.589 -0.614 1.00 2.15 H new ATOM 173 N ALA A 13 -5.485 2.570 -2.031 1.00 1.65 N ATOM 174 CA ALA A 13 -4.645 3.761 -2.106 1.00 2.14 C ATOM 175 C ALA A 13 -5.357 4.992 -1.550 1.00 1.82 C ATOM 176 O ALA A 13 -6.279 5.516 -2.175 1.00 2.37 O ATOM 177 CB ALA A 13 -4.218 4.009 -3.543 1.00 2.97 C ATOM 0 H ALA A 13 -5.589 2.073 -2.916 1.00 1.65 H new ATOM 0 HA ALA A 13 -3.763 3.583 -1.491 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -3.592 4.900 -3.588 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -3.655 3.151 -3.908 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -5.101 4.155 -4.165 1.00 2.97 H new ATOM 183 N VAL A 14 -4.918 5.464 -0.382 1.00 1.28 N ATOM 184 CA VAL A 14 -5.521 6.643 0.226 1.00 1.35 C ATOM 185 C VAL A 14 -4.820 7.916 -0.247 1.00 1.06 C ATOM 186 O VAL A 14 -4.216 7.942 -1.320 1.00 1.09 O ATOM 187 CB VAL A 14 -5.524 6.566 1.777 1.00 2.08 C ATOM 188 CG1 VAL A 14 -4.207 7.033 2.388 1.00 2.82 C ATOM 189 CG2 VAL A 14 -6.702 7.344 2.355 1.00 2.60 C ATOM 0 H VAL A 14 -4.155 5.051 0.154 1.00 1.28 H new ATOM 0 HA VAL A 14 -6.561 6.674 -0.099 1.00 1.35 H new ATOM 0 HB VAL A 14 -5.637 5.515 2.043 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -4.263 6.959 3.474 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -3.394 6.406 2.023 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -4.021 8.069 2.104 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -6.684 7.276 3.443 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -6.630 8.389 2.055 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -7.635 6.923 1.981 1.00 2.60 H new ATOM 199 N THR A 15 -4.916 8.964 0.552 1.00 1.36 N ATOM 200 CA THR A 15 -4.313 10.250 0.206 1.00 1.37 C ATOM 201 C THR A 15 -3.087 10.568 1.059 1.00 1.15 C ATOM 202 O THR A 15 -3.187 10.734 2.274 1.00 1.63 O ATOM 203 CB THR A 15 -5.348 11.367 0.361 1.00 1.93 C ATOM 204 OG1 THR A 15 -6.533 11.051 -0.349 1.00 2.45 O ATOM 205 CG2 THR A 15 -4.862 12.713 -0.133 1.00 2.47 C ATOM 0 H THR A 15 -5.405 8.955 1.447 1.00 1.36 H new ATOM 0 HA THR A 15 -3.983 10.183 -0.831 1.00 1.37 H new ATOM 0 HB THR A 15 -5.534 11.440 1.433 1.00 1.93 H new ATOM 0 HG1 THR A 15 -7.184 11.775 -0.237 1.00 2.45 H new ATOM 0 HG21 THR A 15 -5.646 13.457 0.007 1.00 2.47 H new ATOM 0 HG22 THR A 15 -3.976 13.009 0.429 1.00 2.47 H new ATOM 0 HG23 THR A 15 -4.613 12.644 -1.192 1.00 2.47 H new ATOM 213 N CYS A 16 -1.933 10.683 0.401 1.00 1.00 N ATOM 214 CA CYS A 16 -0.688 11.020 1.078 1.00 0.91 C ATOM 215 C CYS A 16 -0.185 12.380 0.595 1.00 1.05 C ATOM 216 O CYS A 16 0.643 12.442 -0.310 1.00 1.59 O ATOM 217 CB CYS A 16 0.389 9.966 0.814 1.00 1.11 C ATOM 218 SG CYS A 16 2.009 10.387 1.552 1.00 1.82 S ATOM 0 H CYS A 16 -1.838 10.546 -0.605 1.00 1.00 H new ATOM 0 HA CYS A 16 -0.888 11.054 2.149 1.00 0.91 H new ATOM 0 HB2 CYS A 16 0.055 9.008 1.211 1.00 1.11 H new ATOM 0 HB3 CYS A 16 0.509 9.841 -0.262 1.00 1.11 H new ATOM 223 N PRO A 17 -0.690 13.496 1.158 1.00 1.33 N ATOM 224 CA PRO A 17 -0.299 14.836 0.741 1.00 1.72 C ATOM 225 C PRO A 17 0.693 15.555 1.674 1.00 1.75 C ATOM 226 O PRO A 17 0.473 16.713 2.033 1.00 2.05 O ATOM 227 CB PRO A 17 -1.649 15.542 0.782 1.00 2.51 C ATOM 228 CG PRO A 17 -2.367 14.916 1.945 1.00 2.77 C ATOM 229 CD PRO A 17 -1.719 13.566 2.200 1.00 2.00 C ATOM 0 HA PRO A 17 0.230 14.825 -0.212 1.00 1.72 H new ATOM 0 HB2 PRO A 17 -1.531 16.617 0.921 1.00 2.51 H new ATOM 0 HB3 PRO A 17 -2.200 15.399 -0.148 1.00 2.51 H new ATOM 0 HG2 PRO A 17 -2.294 15.550 2.828 1.00 2.77 H new ATOM 0 HG3 PRO A 17 -3.428 14.798 1.724 1.00 2.77 H new ATOM 0 HD2 PRO A 17 -1.287 13.507 3.199 1.00 2.00 H new ATOM 0 HD3 PRO A 17 -2.437 12.750 2.115 1.00 2.00 H new ATOM 237 N PRO A 18 1.792 14.898 2.084 1.00 2.25 N ATOM 238 CA PRO A 18 2.790 15.491 2.966 1.00 2.90 C ATOM 239 C PRO A 18 3.985 16.065 2.208 1.00 2.81 C ATOM 240 O PRO A 18 4.817 16.765 2.787 1.00 3.40 O ATOM 241 CB PRO A 18 3.226 14.282 3.774 1.00 3.70 C ATOM 242 CG PRO A 18 3.207 13.162 2.780 1.00 3.66 C ATOM 243 CD PRO A 18 2.161 13.520 1.744 1.00 2.83 C ATOM 0 HA PRO A 18 2.400 16.329 3.543 1.00 2.90 H new ATOM 0 HB2 PRO A 18 4.220 14.422 4.199 1.00 3.70 H new ATOM 0 HB3 PRO A 18 2.547 14.091 4.605 1.00 3.70 H new ATOM 0 HG2 PRO A 18 4.186 13.039 2.316 1.00 3.66 H new ATOM 0 HG3 PRO A 18 2.964 12.217 3.266 1.00 3.66 H new ATOM 0 HD2 PRO A 18 2.560 13.450 0.732 1.00 2.83 H new ATOM 0 HD3 PRO A 18 1.302 12.851 1.795 1.00 2.83 H new ATOM 251 N GLY A 19 4.080 15.749 0.919 1.00 2.46 N ATOM 252 CA GLY A 19 5.190 16.225 0.123 1.00 2.58 C ATOM 253 C GLY A 19 6.500 15.578 0.535 1.00 1.98 C ATOM 254 O GLY A 19 7.565 16.183 0.411 1.00 2.27 O ATOM 0 H GLY A 19 3.407 15.172 0.415 1.00 2.46 H new ATOM 0 HA2 GLY A 19 4.998 16.017 -0.930 1.00 2.58 H new ATOM 0 HA3 GLY A 19 5.272 17.307 0.224 1.00 2.58 H new ATOM 258 N GLU A 20 6.421 14.345 1.031 1.00 1.91 N ATOM 259 CA GLU A 20 7.611 13.620 1.464 1.00 1.74 C ATOM 260 C GLU A 20 8.586 13.424 0.316 1.00 1.36 C ATOM 261 O GLU A 20 9.331 14.337 -0.039 1.00 2.07 O ATOM 262 CB GLU A 20 7.229 12.279 2.101 1.00 2.62 C ATOM 263 CG GLU A 20 6.893 12.393 3.579 1.00 3.53 C ATOM 264 CD GLU A 20 7.001 11.067 4.307 1.00 4.03 C ATOM 265 OE1 GLU A 20 6.237 10.139 3.968 1.00 4.69 O ATOM 266 OE2 GLU A 20 7.852 10.955 5.216 1.00 4.12 O ATOM 0 H GLU A 20 5.548 13.829 1.142 1.00 1.91 H new ATOM 0 HA GLU A 20 8.113 14.222 2.221 1.00 1.74 H new ATOM 0 HB2 GLU A 20 6.372 11.863 1.571 1.00 2.62 H new ATOM 0 HB3 GLU A 20 8.053 11.576 1.975 1.00 2.62 H new ATOM 0 HG2 GLU A 20 7.564 13.115 4.045 1.00 3.53 H new ATOM 0 HG3 GLU A 20 5.881 12.782 3.688 1.00 3.53 H new ATOM 273 N ASN A 21 8.587 12.235 -0.253 1.00 1.08 N ATOM 274 CA ASN A 21 9.489 11.932 -1.357 1.00 1.79 C ATOM 275 C ASN A 21 9.113 10.647 -2.100 1.00 1.57 C ATOM 276 O ASN A 21 9.355 10.538 -3.303 1.00 2.07 O ATOM 277 CB ASN A 21 10.926 11.822 -0.837 1.00 2.76 C ATOM 278 CG ASN A 21 11.784 13.003 -1.248 1.00 3.80 C ATOM 279 OD1 ASN A 21 11.905 13.314 -2.432 1.00 4.47 O ATOM 280 ND2 ASN A 21 12.387 13.667 -0.268 1.00 4.30 N ATOM 0 H ASN A 21 7.979 11.464 0.025 1.00 1.08 H new ATOM 0 HA ASN A 21 9.403 12.752 -2.070 1.00 1.79 H new ATOM 0 HB2 ASN A 21 10.911 11.749 0.250 1.00 2.76 H new ATOM 0 HB3 ASN A 21 11.375 10.902 -1.212 1.00 2.76 H new ATOM 0 HD21 ASN A 21 12.978 14.470 -0.484 1.00 4.30 H new ATOM 0 HD22 ASN A 21 12.259 13.374 0.701 1.00 4.30 H new ATOM 287 N LEU A 22 8.556 9.663 -1.395 1.00 1.06 N ATOM 288 CA LEU A 22 8.206 8.396 -2.035 1.00 0.90 C ATOM 289 C LEU A 22 7.246 7.573 -1.186 1.00 0.77 C ATOM 290 O LEU A 22 6.880 7.965 -0.082 1.00 0.92 O ATOM 291 CB LEU A 22 9.476 7.587 -2.310 1.00 1.01 C ATOM 292 CG LEU A 22 10.699 7.969 -1.471 1.00 0.89 C ATOM 293 CD1 LEU A 22 10.763 7.133 -0.204 1.00 1.70 C ATOM 294 CD2 LEU A 22 11.968 7.806 -2.293 1.00 1.13 C ATOM 0 H LEU A 22 8.341 9.716 -0.399 1.00 1.06 H new ATOM 0 HA LEU A 22 7.701 8.629 -2.973 1.00 0.90 H new ATOM 0 HB2 LEU A 22 9.257 6.533 -2.141 1.00 1.01 H new ATOM 0 HB3 LEU A 22 9.733 7.695 -3.364 1.00 1.01 H new ATOM 0 HG LEU A 22 10.609 9.015 -1.178 1.00 0.89 H new ATOM 0 HD11 LEU A 22 11.639 7.420 0.378 1.00 1.70 H new ATOM 0 HD12 LEU A 22 9.863 7.301 0.388 1.00 1.70 H new ATOM 0 HD13 LEU A 22 10.833 6.078 -0.468 1.00 1.70 H new ATOM 0 HD21 LEU A 22 12.832 8.080 -1.687 1.00 1.13 H new ATOM 0 HD22 LEU A 22 12.064 6.768 -2.613 1.00 1.13 H new ATOM 0 HD23 LEU A 22 11.919 8.453 -3.169 1.00 1.13 H new ATOM 306 N CYS A 23 6.856 6.419 -1.720 1.00 0.69 N ATOM 307 CA CYS A 23 5.950 5.511 -1.023 1.00 0.71 C ATOM 308 C CYS A 23 6.667 4.203 -0.721 1.00 0.76 C ATOM 309 O CYS A 23 7.377 3.673 -1.576 1.00 0.99 O ATOM 310 CB CYS A 23 4.704 5.250 -1.870 1.00 0.84 C ATOM 311 SG CYS A 23 3.459 6.574 -1.784 1.00 1.02 S ATOM 0 H CYS A 23 7.155 6.089 -2.638 1.00 0.69 H new ATOM 0 HA CYS A 23 5.638 5.971 -0.085 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.005 5.116 -2.909 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.247 4.314 -1.547 1.00 0.84 H new ATOM 316 N TYR A 24 6.513 3.693 0.497 1.00 0.74 N ATOM 317 CA TYR A 24 7.186 2.470 0.882 1.00 0.84 C ATOM 318 C TYR A 24 6.204 1.346 1.187 1.00 0.86 C ATOM 319 O TYR A 24 5.000 1.565 1.305 1.00 1.23 O ATOM 320 CB TYR A 24 8.053 2.738 2.110 1.00 1.01 C ATOM 321 CG TYR A 24 7.275 2.766 3.417 1.00 1.03 C ATOM 322 CD1 TYR A 24 6.897 1.584 4.039 1.00 1.62 C ATOM 323 CD2 TYR A 24 6.923 3.966 4.028 1.00 1.57 C ATOM 324 CE1 TYR A 24 6.193 1.591 5.227 1.00 1.74 C ATOM 325 CE2 TYR A 24 6.218 3.981 5.218 1.00 1.68 C ATOM 326 CZ TYR A 24 5.858 2.792 5.814 1.00 1.34 C ATOM 327 OH TYR A 24 5.157 2.803 6.997 1.00 1.57 O ATOM 0 H TYR A 24 5.932 4.108 1.225 1.00 0.74 H new ATOM 0 HA TYR A 24 7.802 2.149 0.042 1.00 0.84 H new ATOM 0 HB2 TYR A 24 8.824 1.970 2.173 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.564 3.692 1.981 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.159 0.640 3.585 1.00 1.62 H new ATOM 0 HD2 TYR A 24 7.205 4.900 3.566 1.00 1.57 H new ATOM 0 HE1 TYR A 24 5.906 0.660 5.694 1.00 1.74 H new ATOM 0 HE2 TYR A 24 5.951 4.921 5.678 1.00 1.68 H new ATOM 0 HH TYR A 24 5.002 3.729 7.277 1.00 1.57 H new ATOM 337 N ARG A 25 6.745 0.144 1.337 1.00 0.81 N ATOM 338 CA ARG A 25 5.942 -1.031 1.656 1.00 0.85 C ATOM 339 C ARG A 25 6.714 -1.970 2.582 1.00 0.85 C ATOM 340 O ARG A 25 7.578 -2.725 2.133 1.00 1.02 O ATOM 341 CB ARG A 25 5.540 -1.766 0.375 1.00 0.99 C ATOM 342 CG ARG A 25 6.722 -2.187 -0.484 1.00 1.29 C ATOM 343 CD ARG A 25 6.398 -2.095 -1.967 1.00 1.64 C ATOM 344 NE ARG A 25 6.529 -3.388 -2.636 1.00 1.83 N ATOM 345 CZ ARG A 25 6.662 -3.530 -3.953 1.00 2.23 C ATOM 346 NH1 ARG A 25 6.686 -2.464 -4.743 1.00 2.63 N ATOM 347 NH2 ARG A 25 6.775 -4.741 -4.481 1.00 2.91 N ATOM 0 H ARG A 25 7.743 -0.044 1.242 1.00 0.81 H new ATOM 0 HA ARG A 25 5.038 -0.702 2.168 1.00 0.85 H new ATOM 0 HB2 ARG A 25 4.962 -2.651 0.641 1.00 0.99 H new ATOM 0 HB3 ARG A 25 4.886 -1.122 -0.213 1.00 0.99 H new ATOM 0 HG2 ARG A 25 7.580 -1.554 -0.259 1.00 1.29 H new ATOM 0 HG3 ARG A 25 7.007 -3.210 -0.236 1.00 1.29 H new ATOM 0 HD2 ARG A 25 5.382 -1.722 -2.094 1.00 1.64 H new ATOM 0 HD3 ARG A 25 7.064 -1.373 -2.440 1.00 1.64 H new ATOM 0 HE ARG A 25 6.518 -4.230 -2.061 1.00 1.83 H new ATOM 0 HH11 ARG A 25 6.602 -1.530 -4.342 1.00 2.63 H new ATOM 0 HH12 ARG A 25 6.788 -2.579 -5.751 1.00 2.63 H new ATOM 0 HH21 ARG A 25 6.760 -5.564 -3.878 1.00 2.91 H new ATOM 0 HH22 ARG A 25 6.877 -4.850 -5.490 1.00 2.91 H new ATOM 361 N LYS A 26 6.395 -1.925 3.876 1.00 0.83 N ATOM 362 CA LYS A 26 7.064 -2.784 4.857 1.00 0.89 C ATOM 363 C LYS A 26 6.702 -4.240 4.585 1.00 0.86 C ATOM 364 O LYS A 26 5.571 -4.652 4.823 1.00 1.06 O ATOM 365 CB LYS A 26 6.650 -2.379 6.274 1.00 1.09 C ATOM 366 CG LYS A 26 7.613 -1.408 6.937 1.00 1.23 C ATOM 367 CD LYS A 26 8.719 -2.140 7.680 1.00 1.40 C ATOM 368 CE LYS A 26 8.949 -1.544 9.060 1.00 1.63 C ATOM 369 NZ LYS A 26 9.338 -2.580 10.057 1.00 2.19 N ATOM 0 H LYS A 26 5.683 -1.308 4.268 1.00 0.83 H new ATOM 0 HA LYS A 26 8.144 -2.667 4.770 1.00 0.89 H new ATOM 0 HB2 LYS A 26 5.659 -1.927 6.238 1.00 1.09 H new ATOM 0 HB3 LYS A 26 6.570 -3.275 6.890 1.00 1.09 H new ATOM 0 HG2 LYS A 26 8.051 -0.755 6.182 1.00 1.23 H new ATOM 0 HG3 LYS A 26 7.067 -0.770 7.632 1.00 1.23 H new ATOM 0 HD2 LYS A 26 8.459 -3.194 7.776 1.00 1.40 H new ATOM 0 HD3 LYS A 26 9.642 -2.091 7.102 1.00 1.40 H new ATOM 0 HE2 LYS A 26 9.730 -0.785 9.002 1.00 1.63 H new ATOM 0 HE3 LYS A 26 8.041 -1.042 9.394 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 9.485 -2.132 10.984 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 8.582 -3.291 10.132 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 10.218 -3.042 9.752 1.00 2.19 H new ATOM 383 N MET A 27 7.646 -5.012 4.047 1.00 0.79 N ATOM 384 CA MET A 27 7.357 -6.407 3.697 1.00 0.85 C ATOM 385 C MET A 27 8.431 -7.371 4.204 1.00 0.79 C ATOM 386 O MET A 27 9.587 -6.976 4.354 1.00 0.84 O ATOM 387 CB MET A 27 7.242 -6.488 2.174 1.00 1.03 C ATOM 388 CG MET A 27 8.512 -6.076 1.446 1.00 1.28 C ATOM 389 SD MET A 27 8.306 -6.048 -0.346 1.00 1.66 S ATOM 390 CE MET A 27 9.445 -4.742 -0.800 1.00 2.08 C ATOM 0 H MET A 27 8.598 -4.706 3.846 1.00 0.79 H new ATOM 0 HA MET A 27 6.427 -6.709 4.178 1.00 0.85 H new ATOM 0 HB2 MET A 27 6.986 -7.509 1.891 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.421 -5.850 1.845 1.00 1.03 H new ATOM 0 HG2 MET A 27 8.818 -5.088 1.788 1.00 1.28 H new ATOM 0 HG3 MET A 27 9.315 -6.766 1.705 1.00 1.28 H new ATOM 0 HE1 MET A 27 9.303 -4.484 -1.849 1.00 2.08 H new ATOM 0 HE2 MET A 27 9.257 -3.864 -0.182 1.00 2.08 H new ATOM 0 HE3 MET A 27 10.469 -5.082 -0.646 1.00 2.08 H new ATOM 400 N TRP A 28 8.063 -8.646 4.473 1.00 0.77 N ATOM 401 CA TRP A 28 9.065 -9.606 4.963 1.00 0.81 C ATOM 402 C TRP A 28 8.521 -11.018 5.232 1.00 0.98 C ATOM 403 O TRP A 28 8.175 -11.351 6.362 1.00 1.57 O ATOM 404 CB TRP A 28 9.722 -9.064 6.236 1.00 1.07 C ATOM 405 CG TRP A 28 8.807 -8.971 7.426 1.00 0.86 C ATOM 406 CD1 TRP A 28 8.603 -9.924 8.378 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.985 -7.865 7.799 1.00 0.85 C ATOM 408 NE1 TRP A 28 7.720 -9.476 9.321 1.00 0.89 N ATOM 409 CE2 TRP A 28 7.323 -8.219 8.987 1.00 0.89 C ATOM 410 CE3 TRP A 28 7.745 -6.614 7.248 1.00 1.00 C ATOM 411 CZ2 TRP A 28 6.441 -7.365 9.631 1.00 1.07 C ATOM 412 CZ3 TRP A 28 6.864 -5.763 7.889 1.00 1.15 C ATOM 413 CH2 TRP A 28 6.221 -6.141 9.070 1.00 1.19 C ATOM 0 H TRP A 28 7.119 -9.017 4.363 1.00 0.77 H new ATOM 0 HA TRP A 28 9.791 -9.711 4.157 1.00 0.81 H new ATOM 0 HB2 TRP A 28 10.566 -9.704 6.493 1.00 1.07 H new ATOM 0 HB3 TRP A 28 10.125 -8.073 6.027 1.00 1.07 H new ATOM 0 HD1 TRP A 28 9.073 -10.896 8.387 1.00 0.88 H new ATOM 0 HE1 TRP A 28 7.410 -9.999 10.140 1.00 0.89 H new ATOM 0 HE3 TRP A 28 8.237 -6.311 6.336 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 5.945 -7.658 10.545 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 6.669 -4.787 7.469 1.00 1.15 H new ATOM 0 HH2 TRP A 28 5.539 -5.453 9.547 1.00 1.19 H new ATOM 424 N CYS A 29 8.500 -11.864 4.201 1.00 1.10 N ATOM 425 CA CYS A 29 8.050 -13.253 4.343 1.00 1.39 C ATOM 426 C CYS A 29 7.824 -13.916 2.984 1.00 1.62 C ATOM 427 O CYS A 29 7.900 -15.139 2.866 1.00 2.20 O ATOM 428 CB CYS A 29 6.764 -13.336 5.164 1.00 1.50 C ATOM 429 SG CYS A 29 6.811 -14.587 6.490 1.00 1.87 S ATOM 0 H CYS A 29 8.790 -11.613 3.256 1.00 1.10 H new ATOM 0 HA CYS A 29 8.844 -13.787 4.865 1.00 1.39 H new ATOM 0 HB2 CYS A 29 6.564 -12.360 5.606 1.00 1.50 H new ATOM 0 HB3 CYS A 29 5.932 -13.560 4.496 1.00 1.50 H new ATOM 434 N ASP A 30 7.526 -13.103 1.973 1.00 1.38 N ATOM 435 CA ASP A 30 7.263 -13.586 0.617 1.00 1.74 C ATOM 436 C ASP A 30 8.146 -14.771 0.223 1.00 1.96 C ATOM 437 O ASP A 30 9.160 -15.047 0.865 1.00 2.52 O ATOM 438 CB ASP A 30 7.455 -12.439 -0.362 1.00 2.08 C ATOM 439 CG ASP A 30 6.405 -12.428 -1.454 1.00 2.33 C ATOM 440 OD1 ASP A 30 6.241 -13.465 -2.130 1.00 2.64 O ATOM 441 OD2 ASP A 30 5.747 -11.382 -1.633 1.00 2.75 O ATOM 0 H ASP A 30 7.460 -12.090 2.070 1.00 1.38 H new ATOM 0 HA ASP A 30 6.235 -13.947 0.588 1.00 1.74 H new ATOM 0 HB2 ASP A 30 7.422 -11.494 0.180 1.00 2.08 H new ATOM 0 HB3 ASP A 30 8.444 -12.513 -0.814 1.00 2.08 H new ATOM 446 N ALA A 31 7.726 -15.466 -0.839 1.00 2.10 N ATOM 447 CA ALA A 31 8.426 -16.643 -1.361 1.00 2.46 C ATOM 448 C ALA A 31 7.770 -17.921 -0.850 1.00 2.26 C ATOM 449 O ALA A 31 7.597 -18.884 -1.597 1.00 2.66 O ATOM 450 CB ALA A 31 9.909 -16.630 -1.003 1.00 2.98 C ATOM 0 H ALA A 31 6.885 -15.226 -1.364 1.00 2.10 H new ATOM 0 HA ALA A 31 8.351 -16.612 -2.448 1.00 2.46 H new ATOM 0 HB1 ALA A 31 10.389 -17.520 -1.409 1.00 2.98 H new ATOM 0 HB2 ALA A 31 10.377 -15.741 -1.425 1.00 2.98 H new ATOM 0 HB3 ALA A 31 10.022 -16.620 0.081 1.00 2.98 H new ATOM 456 N PHE A 32 7.398 -17.914 0.428 1.00 2.11 N ATOM 457 CA PHE A 32 6.754 -19.061 1.055 1.00 2.17 C ATOM 458 C PHE A 32 6.504 -18.783 2.534 1.00 1.75 C ATOM 459 O PHE A 32 7.283 -19.200 3.392 1.00 2.16 O ATOM 460 CB PHE A 32 7.612 -20.319 0.890 1.00 2.77 C ATOM 461 CG PHE A 32 8.976 -20.219 1.520 1.00 3.17 C ATOM 462 CD1 PHE A 32 9.983 -19.472 0.925 1.00 3.74 C ATOM 463 CD2 PHE A 32 9.254 -20.881 2.706 1.00 3.67 C ATOM 464 CE1 PHE A 32 11.236 -19.386 1.502 1.00 4.54 C ATOM 465 CE2 PHE A 32 10.504 -20.799 3.287 1.00 4.50 C ATOM 466 CZ PHE A 32 11.496 -20.050 2.685 1.00 4.85 C ATOM 0 H PHE A 32 7.534 -17.119 1.052 1.00 2.11 H new ATOM 0 HA PHE A 32 5.797 -19.230 0.562 1.00 2.17 H new ATOM 0 HB2 PHE A 32 7.083 -21.166 1.326 1.00 2.77 H new ATOM 0 HB3 PHE A 32 7.729 -20.529 -0.173 1.00 2.77 H new ATOM 0 HD1 PHE A 32 9.785 -18.951 -0.000 1.00 3.74 H new ATOM 0 HD2 PHE A 32 8.483 -21.469 3.182 1.00 3.67 H new ATOM 0 HE1 PHE A 32 12.010 -18.801 1.029 1.00 4.54 H new ATOM 0 HE2 PHE A 32 10.706 -21.320 4.211 1.00 4.50 H new ATOM 0 HZ PHE A 32 12.474 -19.984 3.139 1.00 4.85 H new ATOM 476 N CYS A 33 5.424 -18.063 2.833 1.00 1.44 N ATOM 477 CA CYS A 33 5.104 -17.723 4.217 1.00 1.44 C ATOM 478 C CYS A 33 3.686 -18.131 4.602 1.00 1.67 C ATOM 479 O CYS A 33 3.234 -17.840 5.707 1.00 2.41 O ATOM 480 CB CYS A 33 5.295 -16.224 4.441 1.00 1.66 C ATOM 481 SG CYS A 33 5.147 -15.702 6.179 1.00 1.93 S ATOM 0 H CYS A 33 4.762 -17.707 2.143 1.00 1.44 H new ATOM 0 HA CYS A 33 5.786 -18.283 4.856 1.00 1.44 H new ATOM 0 HB2 CYS A 33 6.278 -15.935 4.069 1.00 1.66 H new ATOM 0 HB3 CYS A 33 4.558 -15.683 3.847 1.00 1.66 H new ATOM 486 N SER A 34 3.002 -18.815 3.689 1.00 1.74 N ATOM 487 CA SER A 34 1.629 -19.288 3.913 1.00 2.21 C ATOM 488 C SER A 34 0.835 -19.286 2.610 1.00 2.07 C ATOM 489 O SER A 34 0.684 -20.323 1.962 1.00 2.39 O ATOM 490 CB SER A 34 0.894 -18.430 4.952 1.00 2.92 C ATOM 491 OG SER A 34 1.098 -18.927 6.264 1.00 3.47 O ATOM 0 H SER A 34 3.378 -19.059 2.773 1.00 1.74 H new ATOM 0 HA SER A 34 1.704 -20.307 4.293 1.00 2.21 H new ATOM 0 HB2 SER A 34 1.246 -17.400 4.892 1.00 2.92 H new ATOM 0 HB3 SER A 34 -0.172 -18.416 4.727 1.00 2.92 H new ATOM 0 HG SER A 34 2.015 -18.731 6.549 1.00 3.47 H new ATOM 497 N SER A 35 0.325 -18.116 2.237 1.00 2.23 N ATOM 498 CA SER A 35 -0.460 -17.976 1.017 1.00 2.38 C ATOM 499 C SER A 35 -0.419 -16.537 0.506 1.00 2.12 C ATOM 500 O SER A 35 -0.237 -16.300 -0.688 1.00 2.53 O ATOM 501 CB SER A 35 -1.907 -18.403 1.266 1.00 2.81 C ATOM 502 OG SER A 35 -2.103 -19.765 0.929 1.00 3.24 O ATOM 0 H SER A 35 0.442 -17.250 2.764 1.00 2.23 H new ATOM 0 HA SER A 35 -0.025 -18.624 0.256 1.00 2.38 H new ATOM 0 HB2 SER A 35 -2.161 -18.245 2.314 1.00 2.81 H new ATOM 0 HB3 SER A 35 -2.580 -17.779 0.677 1.00 2.81 H new ATOM 0 HG SER A 35 -1.300 -20.278 1.158 1.00 3.24 H new ATOM 508 N ARG A 36 -0.586 -15.578 1.416 1.00 2.05 N ATOM 509 CA ARG A 36 -0.561 -14.164 1.046 1.00 2.00 C ATOM 510 C ARG A 36 0.743 -13.828 0.329 1.00 2.04 C ATOM 511 O ARG A 36 0.755 -13.111 -0.671 1.00 2.72 O ATOM 512 CB ARG A 36 -0.708 -13.265 2.298 1.00 2.08 C ATOM 513 CG ARG A 36 -1.618 -12.028 2.135 1.00 1.74 C ATOM 514 CD ARG A 36 -2.104 -11.862 0.699 1.00 2.68 C ATOM 515 NE ARG A 36 -3.286 -12.681 0.423 1.00 3.20 N ATOM 516 CZ ARG A 36 -3.614 -13.130 -0.790 1.00 3.94 C ATOM 517 NH1 ARG A 36 -2.860 -12.838 -1.843 1.00 4.27 N ATOM 518 NH2 ARG A 36 -4.704 -13.867 -0.950 1.00 4.76 N ATOM 0 H ARG A 36 -0.739 -15.753 2.409 1.00 2.05 H new ATOM 0 HA ARG A 36 -1.401 -13.976 0.377 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -1.097 -13.873 3.115 1.00 2.08 H new ATOM 0 HB3 ARG A 36 0.284 -12.926 2.597 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -2.477 -12.119 2.800 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -1.073 -11.134 2.439 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -2.338 -10.814 0.514 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -1.304 -12.136 0.011 1.00 2.68 H new ATOM 0 HE ARG A 36 -3.895 -12.923 1.205 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -2.023 -12.267 -1.728 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -3.118 -13.185 -2.767 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -5.291 -14.090 -0.146 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -4.956 -14.211 -1.877 1.00 4.76 H new ATOM 532 N GLY A 37 1.837 -14.342 0.871 1.00 1.75 N ATOM 533 CA GLY A 37 3.148 -14.081 0.313 1.00 2.21 C ATOM 534 C GLY A 37 4.006 -13.356 1.325 1.00 1.79 C ATOM 535 O GLY A 37 4.439 -13.950 2.313 1.00 2.20 O ATOM 0 H GLY A 37 1.839 -14.942 1.696 1.00 1.75 H new ATOM 0 HA2 GLY A 37 3.624 -15.019 0.026 1.00 2.21 H new ATOM 0 HA3 GLY A 37 3.054 -13.481 -0.592 1.00 2.21 H new ATOM 539 N LYS A 38 4.220 -12.064 1.112 1.00 1.40 N ATOM 540 CA LYS A 38 4.989 -11.276 2.060 1.00 1.39 C ATOM 541 C LYS A 38 4.062 -10.725 3.124 1.00 1.23 C ATOM 542 O LYS A 38 2.910 -11.143 3.232 1.00 1.86 O ATOM 543 CB LYS A 38 5.738 -10.128 1.372 1.00 1.66 C ATOM 544 CG LYS A 38 7.044 -9.752 2.046 1.00 2.44 C ATOM 545 CD LYS A 38 8.156 -9.490 1.034 1.00 3.26 C ATOM 546 CE LYS A 38 9.357 -10.394 1.268 1.00 4.06 C ATOM 547 NZ LYS A 38 10.404 -10.209 0.224 1.00 4.85 N ATOM 0 H LYS A 38 3.877 -11.547 0.302 1.00 1.40 H new ATOM 0 HA LYS A 38 5.735 -11.927 2.516 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.942 -10.409 0.339 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.091 -9.252 1.343 1.00 1.66 H new ATOM 0 HG2 LYS A 38 6.893 -8.862 2.657 1.00 2.44 H new ATOM 0 HG3 LYS A 38 7.348 -10.553 2.719 1.00 2.44 H new ATOM 0 HD2 LYS A 38 7.774 -9.647 0.025 1.00 3.26 H new ATOM 0 HD3 LYS A 38 8.468 -8.447 1.098 1.00 3.26 H new ATOM 0 HE2 LYS A 38 9.782 -10.185 2.250 1.00 4.06 H new ATOM 0 HE3 LYS A 38 9.032 -11.434 1.276 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 11.205 -10.843 0.420 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 10.006 -10.432 -0.710 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 10.733 -9.222 0.233 1.00 4.85 H new ATOM 561 N VAL A 39 4.572 -9.800 3.911 1.00 0.90 N ATOM 562 CA VAL A 39 3.805 -9.197 4.980 1.00 0.75 C ATOM 563 C VAL A 39 3.514 -7.723 4.680 1.00 0.80 C ATOM 564 O VAL A 39 2.844 -7.040 5.452 1.00 1.62 O ATOM 565 CB VAL A 39 4.544 -9.371 6.332 1.00 0.73 C ATOM 566 CG1 VAL A 39 5.807 -10.192 6.176 1.00 0.77 C ATOM 567 CG2 VAL A 39 4.870 -8.056 6.989 1.00 0.82 C ATOM 0 H VAL A 39 5.525 -9.447 3.828 1.00 0.90 H new ATOM 0 HA VAL A 39 2.844 -9.707 5.054 1.00 0.75 H new ATOM 0 HB VAL A 39 3.852 -9.906 6.982 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.298 -10.292 7.144 1.00 0.77 H new ATOM 0 HG12 VAL A 39 5.553 -11.181 5.793 1.00 0.77 H new ATOM 0 HG13 VAL A 39 6.480 -9.695 5.478 1.00 0.77 H new ATOM 0 HG21 VAL A 39 5.387 -8.238 7.931 1.00 0.82 H new ATOM 0 HG22 VAL A 39 5.511 -7.470 6.331 1.00 0.82 H new ATOM 0 HG23 VAL A 39 3.948 -7.507 7.181 1.00 0.82 H new ATOM 577 N VAL A 40 4.033 -7.271 3.542 1.00 1.00 N ATOM 578 CA VAL A 40 3.881 -5.895 3.054 1.00 0.94 C ATOM 579 C VAL A 40 2.869 -5.066 3.836 1.00 0.99 C ATOM 580 O VAL A 40 1.727 -5.475 4.047 1.00 1.40 O ATOM 581 CB VAL A 40 3.482 -5.860 1.567 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.446 -6.688 0.740 1.00 1.25 C ATOM 583 CG2 VAL A 40 2.052 -6.342 1.374 1.00 1.31 C ATOM 0 H VAL A 40 4.583 -7.860 2.917 1.00 1.00 H new ATOM 0 HA VAL A 40 4.865 -5.450 3.198 1.00 0.94 H new ATOM 0 HB VAL A 40 3.535 -4.826 1.225 1.00 1.03 H new ATOM 0 HG11 VAL A 40 4.149 -6.652 -0.308 1.00 1.25 H new ATOM 0 HG12 VAL A 40 5.454 -6.287 0.846 1.00 1.25 H new ATOM 0 HG13 VAL A 40 4.429 -7.721 1.087 1.00 1.25 H new ATOM 0 HG21 VAL A 40 1.796 -6.307 0.315 1.00 1.31 H new ATOM 0 HG22 VAL A 40 1.961 -7.366 1.736 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.373 -5.698 1.933 1.00 1.31 H new ATOM 593 N GLU A 41 3.308 -3.884 4.227 1.00 1.12 N ATOM 594 CA GLU A 41 2.483 -2.948 4.957 1.00 1.31 C ATOM 595 C GLU A 41 2.624 -1.565 4.345 1.00 1.09 C ATOM 596 O GLU A 41 3.350 -0.713 4.860 1.00 1.20 O ATOM 597 CB GLU A 41 2.869 -2.906 6.429 1.00 1.75 C ATOM 598 CG GLU A 41 2.543 -4.183 7.187 1.00 2.24 C ATOM 599 CD GLU A 41 2.179 -3.927 8.636 1.00 2.85 C ATOM 600 OE1 GLU A 41 2.507 -2.835 9.148 1.00 3.33 O ATOM 601 OE2 GLU A 41 1.566 -4.819 9.260 1.00 3.41 O ATOM 0 H GLU A 41 4.253 -3.547 4.044 1.00 1.12 H new ATOM 0 HA GLU A 41 1.446 -3.277 4.890 1.00 1.31 H new ATOM 0 HB2 GLU A 41 3.938 -2.710 6.509 1.00 1.75 H new ATOM 0 HB3 GLU A 41 2.356 -2.071 6.906 1.00 1.75 H new ATOM 0 HG2 GLU A 41 1.715 -4.692 6.693 1.00 2.24 H new ATOM 0 HG3 GLU A 41 3.401 -4.854 7.145 1.00 2.24 H new ATOM 608 N LEU A 42 1.937 -1.374 3.225 1.00 1.16 N ATOM 609 CA LEU A 42 1.960 -0.105 2.487 1.00 1.39 C ATOM 610 C LEU A 42 2.087 1.100 3.424 1.00 1.07 C ATOM 611 O LEU A 42 1.602 1.075 4.556 1.00 1.33 O ATOM 612 CB LEU A 42 0.687 0.041 1.642 1.00 2.10 C ATOM 613 CG LEU A 42 0.129 -1.259 1.052 1.00 2.81 C ATOM 614 CD1 LEU A 42 -1.014 -0.962 0.093 1.00 3.51 C ATOM 615 CD2 LEU A 42 1.226 -2.049 0.350 1.00 3.51 C ATOM 0 H LEU A 42 1.348 -2.089 2.799 1.00 1.16 H new ATOM 0 HA LEU A 42 2.836 -0.125 1.839 1.00 1.39 H new ATOM 0 HB2 LEU A 42 -0.086 0.500 2.259 1.00 2.10 H new ATOM 0 HB3 LEU A 42 0.893 0.731 0.824 1.00 2.10 H new ATOM 0 HG LEU A 42 -0.257 -1.867 1.870 1.00 2.81 H new ATOM 0 HD11 LEU A 42 -1.398 -1.897 -0.316 1.00 3.51 H new ATOM 0 HD12 LEU A 42 -1.812 -0.445 0.627 1.00 3.51 H new ATOM 0 HD13 LEU A 42 -0.653 -0.331 -0.719 1.00 3.51 H new ATOM 0 HD21 LEU A 42 0.807 -2.967 -0.061 1.00 3.51 H new ATOM 0 HD22 LEU A 42 1.647 -1.449 -0.457 1.00 3.51 H new ATOM 0 HD23 LEU A 42 2.011 -2.296 1.065 1.00 3.51 H new ATOM 627 N GLY A 43 2.744 2.152 2.940 1.00 0.94 N ATOM 628 CA GLY A 43 2.935 3.352 3.726 1.00 1.07 C ATOM 629 C GLY A 43 3.844 4.339 3.022 1.00 0.96 C ATOM 630 O GLY A 43 4.820 3.951 2.385 1.00 1.16 O ATOM 0 H GLY A 43 3.151 2.190 2.005 1.00 0.94 H new ATOM 0 HA2 GLY A 43 1.969 3.819 3.919 1.00 1.07 H new ATOM 0 HA3 GLY A 43 3.361 3.090 4.694 1.00 1.07 H new ATOM 634 N CYS A 44 3.509 5.614 3.124 1.00 0.84 N ATOM 635 CA CYS A 44 4.284 6.678 2.488 1.00 0.76 C ATOM 636 C CYS A 44 5.672 6.813 3.123 1.00 0.86 C ATOM 637 O CYS A 44 5.828 6.635 4.330 1.00 1.07 O ATOM 638 CB CYS A 44 3.515 7.998 2.601 1.00 0.81 C ATOM 639 SG CYS A 44 3.258 8.877 1.028 1.00 1.35 S ATOM 0 H CYS A 44 2.697 5.945 3.646 1.00 0.84 H new ATOM 0 HA CYS A 44 4.428 6.425 1.437 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.543 7.797 3.050 1.00 0.81 H new ATOM 0 HB3 CYS A 44 4.052 8.656 3.284 1.00 0.81 H new ATOM 644 N ALA A 45 6.681 7.129 2.302 1.00 0.87 N ATOM 645 CA ALA A 45 8.050 7.281 2.794 1.00 1.04 C ATOM 646 C ALA A 45 8.684 8.579 2.298 1.00 1.05 C ATOM 647 O ALA A 45 8.036 9.392 1.640 1.00 1.16 O ATOM 648 CB ALA A 45 8.900 6.094 2.367 1.00 1.21 C ATOM 0 H ALA A 45 6.573 7.283 1.299 1.00 0.87 H new ATOM 0 HA ALA A 45 8.006 7.321 3.882 1.00 1.04 H new ATOM 0 HB1 ALA A 45 9.916 6.221 2.740 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.475 5.177 2.775 1.00 1.21 H new ATOM 0 HB3 ALA A 45 8.918 6.032 1.279 1.00 1.21 H new ATOM 654 N ALA A 46 9.963 8.757 2.622 1.00 1.25 N ATOM 655 CA ALA A 46 10.708 9.944 2.217 1.00 1.34 C ATOM 656 C ALA A 46 12.044 9.578 1.560 1.00 1.36 C ATOM 657 O ALA A 46 12.578 10.347 0.761 1.00 1.78 O ATOM 658 CB ALA A 46 10.944 10.849 3.418 1.00 1.57 C ATOM 0 H ALA A 46 10.507 8.088 3.168 1.00 1.25 H new ATOM 0 HA ALA A 46 10.110 10.475 1.477 1.00 1.34 H new ATOM 0 HB1 ALA A 46 11.501 11.732 3.104 1.00 1.57 H new ATOM 0 HB2 ALA A 46 9.985 11.155 3.837 1.00 1.57 H new ATOM 0 HB3 ALA A 46 11.515 10.309 4.174 1.00 1.57 H new ATOM 664 N THR A 47 12.581 8.404 1.900 1.00 1.21 N ATOM 665 CA THR A 47 13.854 7.951 1.340 1.00 1.35 C ATOM 666 C THR A 47 13.860 6.434 1.157 1.00 1.45 C ATOM 667 O THR A 47 13.065 5.723 1.773 1.00 2.27 O ATOM 668 CB THR A 47 15.012 8.370 2.246 1.00 1.55 C ATOM 669 OG1 THR A 47 14.662 8.217 3.610 1.00 2.06 O ATOM 670 CG2 THR A 47 15.446 9.807 2.044 1.00 2.18 C ATOM 0 H THR A 47 12.155 7.752 2.559 1.00 1.21 H new ATOM 0 HA THR A 47 13.978 8.418 0.363 1.00 1.35 H new ATOM 0 HB THR A 47 15.840 7.716 1.973 1.00 1.55 H new ATOM 0 HG1 THR A 47 15.416 8.488 4.174 1.00 2.06 H new ATOM 0 HG21 THR A 47 16.271 10.036 2.719 1.00 2.18 H new ATOM 0 HG22 THR A 47 15.771 9.948 1.013 1.00 2.18 H new ATOM 0 HG23 THR A 47 14.609 10.473 2.255 1.00 2.18 H new ATOM 678 N CYS A 48 14.756 5.943 0.301 1.00 1.30 N ATOM 679 CA CYS A 48 14.853 4.509 0.034 1.00 1.60 C ATOM 680 C CYS A 48 16.290 4.003 0.145 1.00 1.50 C ATOM 681 O CYS A 48 16.873 3.545 -0.837 1.00 1.89 O ATOM 682 CB CYS A 48 14.304 4.193 -1.357 1.00 2.23 C ATOM 683 SG CYS A 48 12.627 4.833 -1.651 1.00 2.27 S ATOM 0 H CYS A 48 15.423 6.515 -0.217 1.00 1.30 H new ATOM 0 HA CYS A 48 14.258 3.997 0.790 1.00 1.60 H new ATOM 0 HB2 CYS A 48 14.978 4.610 -2.106 1.00 2.23 H new ATOM 0 HB3 CYS A 48 14.300 3.112 -1.498 1.00 2.23 H new ATOM 688 N PRO A 49 16.879 4.072 1.350 1.00 1.67 N ATOM 689 CA PRO A 49 18.251 3.606 1.589 1.00 2.01 C ATOM 690 C PRO A 49 18.475 2.183 1.084 1.00 1.97 C ATOM 691 O PRO A 49 17.634 1.622 0.382 1.00 2.38 O ATOM 692 CB PRO A 49 18.379 3.650 3.112 1.00 2.64 C ATOM 693 CG PRO A 49 17.397 4.681 3.546 1.00 2.84 C ATOM 694 CD PRO A 49 16.254 4.605 2.572 1.00 2.20 C ATOM 0 HA PRO A 49 18.985 4.218 1.065 1.00 2.01 H new ATOM 0 HB2 PRO A 49 18.156 2.680 3.556 1.00 2.64 H new ATOM 0 HB3 PRO A 49 19.392 3.915 3.416 1.00 2.64 H new ATOM 0 HG2 PRO A 49 17.055 4.490 4.563 1.00 2.84 H new ATOM 0 HG3 PRO A 49 17.847 5.674 3.542 1.00 2.84 H new ATOM 0 HD2 PRO A 49 15.460 3.952 2.935 1.00 2.20 H new ATOM 0 HD3 PRO A 49 15.807 5.584 2.400 1.00 2.20 H new ATOM 702 N SER A 50 19.612 1.602 1.450 1.00 2.11 N ATOM 703 CA SER A 50 19.940 0.241 1.032 1.00 2.30 C ATOM 704 C SER A 50 21.043 -0.352 1.903 1.00 1.95 C ATOM 705 O SER A 50 21.993 0.335 2.275 1.00 2.12 O ATOM 706 CB SER A 50 20.374 0.228 -0.434 1.00 3.06 C ATOM 707 OG SER A 50 21.131 1.383 -0.750 1.00 3.47 O ATOM 0 H SER A 50 20.320 2.048 2.033 1.00 2.11 H new ATOM 0 HA SER A 50 19.045 -0.370 1.148 1.00 2.30 H new ATOM 0 HB2 SER A 50 20.966 -0.665 -0.634 1.00 3.06 H new ATOM 0 HB3 SER A 50 19.495 0.178 -1.077 1.00 3.06 H new ATOM 0 HG SER A 50 21.399 1.351 -1.692 1.00 3.47 H new ATOM 713 N LYS A 51 20.910 -1.639 2.222 1.00 1.81 N ATOM 714 CA LYS A 51 21.895 -2.335 3.046 1.00 1.81 C ATOM 715 C LYS A 51 21.431 -3.754 3.366 1.00 1.86 C ATOM 716 O LYS A 51 21.289 -4.121 4.533 1.00 2.42 O ATOM 717 CB LYS A 51 22.155 -1.561 4.345 1.00 2.17 C ATOM 718 CG LYS A 51 20.892 -1.030 5.004 1.00 2.27 C ATOM 719 CD LYS A 51 21.220 -0.094 6.157 1.00 2.64 C ATOM 720 CE LYS A 51 21.425 1.334 5.675 1.00 3.02 C ATOM 721 NZ LYS A 51 22.856 1.740 5.735 1.00 3.62 N ATOM 0 H LYS A 51 20.128 -2.221 1.921 1.00 1.81 H new ATOM 0 HA LYS A 51 22.825 -2.394 2.480 1.00 1.81 H new ATOM 0 HB2 LYS A 51 22.674 -2.212 5.048 1.00 2.17 H new ATOM 0 HB3 LYS A 51 22.822 -0.725 4.132 1.00 2.17 H new ATOM 0 HG2 LYS A 51 20.288 -0.502 4.265 1.00 2.27 H new ATOM 0 HG3 LYS A 51 20.292 -1.864 5.369 1.00 2.27 H new ATOM 0 HD2 LYS A 51 20.413 -0.120 6.889 1.00 2.64 H new ATOM 0 HD3 LYS A 51 22.121 -0.441 6.664 1.00 2.64 H new ATOM 0 HE2 LYS A 51 21.064 1.427 4.651 1.00 3.02 H new ATOM 0 HE3 LYS A 51 20.829 2.012 6.286 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 22.953 2.719 5.398 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 23.194 1.676 6.716 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 23.422 1.109 5.132 1.00 3.62 H new ATOM 735 N LYS A 52 21.196 -4.543 2.313 1.00 1.89 N ATOM 736 CA LYS A 52 20.744 -5.934 2.449 1.00 2.02 C ATOM 737 C LYS A 52 19.827 -6.122 3.657 1.00 1.85 C ATOM 738 O LYS A 52 20.219 -6.729 4.655 1.00 2.17 O ATOM 739 CB LYS A 52 21.944 -6.882 2.552 1.00 2.50 C ATOM 740 CG LYS A 52 22.814 -6.649 3.778 1.00 2.79 C ATOM 741 CD LYS A 52 24.145 -6.007 3.413 1.00 2.92 C ATOM 742 CE LYS A 52 25.318 -6.907 3.769 1.00 2.95 C ATOM 743 NZ LYS A 52 26.622 -6.301 3.385 1.00 3.19 N ATOM 0 H LYS A 52 21.313 -4.239 1.346 1.00 1.89 H new ATOM 0 HA LYS A 52 20.170 -6.174 1.554 1.00 2.02 H new ATOM 0 HB2 LYS A 52 21.582 -7.910 2.567 1.00 2.50 H new ATOM 0 HB3 LYS A 52 22.558 -6.773 1.658 1.00 2.50 H new ATOM 0 HG2 LYS A 52 22.284 -6.010 4.484 1.00 2.79 H new ATOM 0 HG3 LYS A 52 22.995 -7.599 4.281 1.00 2.79 H new ATOM 0 HD2 LYS A 52 24.164 -5.790 2.345 1.00 2.92 H new ATOM 0 HD3 LYS A 52 24.245 -5.055 3.934 1.00 2.92 H new ATOM 0 HE2 LYS A 52 25.311 -7.104 4.841 1.00 2.95 H new ATOM 0 HE3 LYS A 52 25.203 -7.868 3.267 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 27.395 -6.947 3.645 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 26.639 -6.136 2.358 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 26.744 -5.396 3.883 1.00 3.19 H new ATOM 757 N PRO A 53 18.589 -5.602 3.591 1.00 1.54 N ATOM 758 CA PRO A 53 17.635 -5.717 4.684 1.00 1.53 C ATOM 759 C PRO A 53 16.864 -7.024 4.665 1.00 1.70 C ATOM 760 O PRO A 53 16.021 -7.236 3.794 1.00 2.18 O ATOM 761 CB PRO A 53 16.668 -4.566 4.426 1.00 1.31 C ATOM 762 CG PRO A 53 16.674 -4.392 2.944 1.00 1.55 C ATOM 763 CD PRO A 53 18.026 -4.855 2.450 1.00 1.49 C ATOM 0 HA PRO A 53 18.139 -5.688 5.650 1.00 1.53 H new ATOM 0 HB2 PRO A 53 15.668 -4.798 4.793 1.00 1.31 H new ATOM 0 HB3 PRO A 53 16.990 -3.657 4.933 1.00 1.31 H new ATOM 0 HG2 PRO A 53 15.875 -4.974 2.484 1.00 1.55 H new ATOM 0 HG3 PRO A 53 16.502 -3.349 2.677 1.00 1.55 H new ATOM 0 HD2 PRO A 53 17.933 -5.487 1.567 1.00 1.49 H new ATOM 0 HD3 PRO A 53 18.660 -4.012 2.174 1.00 1.49 H new ATOM 771 N TYR A 54 17.105 -7.879 5.653 1.00 1.87 N ATOM 772 CA TYR A 54 16.361 -9.128 5.743 1.00 2.10 C ATOM 773 C TYR A 54 14.872 -8.797 5.759 1.00 1.75 C ATOM 774 O TYR A 54 14.026 -9.600 5.364 1.00 2.06 O ATOM 775 CB TYR A 54 16.753 -9.905 7.002 1.00 2.60 C ATOM 776 CG TYR A 54 18.241 -9.912 7.269 1.00 3.05 C ATOM 777 CD1 TYR A 54 19.131 -10.463 6.354 1.00 3.32 C ATOM 778 CD2 TYR A 54 18.759 -9.368 8.439 1.00 3.73 C ATOM 779 CE1 TYR A 54 20.492 -10.471 6.597 1.00 3.91 C ATOM 780 CE2 TYR A 54 20.118 -9.373 8.689 1.00 4.38 C ATOM 781 CZ TYR A 54 20.980 -9.925 7.766 1.00 4.33 C ATOM 782 OH TYR A 54 22.334 -9.934 8.014 1.00 5.08 O ATOM 0 H TYR A 54 17.796 -7.734 6.389 1.00 1.87 H new ATOM 0 HA TYR A 54 16.594 -9.759 4.885 1.00 2.10 H new ATOM 0 HB2 TYR A 54 16.240 -9.472 7.861 1.00 2.60 H new ATOM 0 HB3 TYR A 54 16.404 -10.933 6.908 1.00 2.60 H new ATOM 0 HD1 TYR A 54 18.753 -10.892 5.438 1.00 3.32 H new ATOM 0 HD2 TYR A 54 18.088 -8.934 9.165 1.00 3.73 H new ATOM 0 HE1 TYR A 54 21.170 -10.903 5.875 1.00 3.91 H new ATOM 0 HE2 TYR A 54 20.503 -8.946 9.603 1.00 4.38 H new ATOM 0 HH TYR A 54 22.511 -9.510 8.880 1.00 5.08 H new ATOM 792 N GLU A 55 14.581 -7.571 6.202 1.00 1.38 N ATOM 793 CA GLU A 55 13.229 -7.047 6.267 1.00 1.41 C ATOM 794 C GLU A 55 13.272 -5.599 6.734 1.00 1.82 C ATOM 795 O GLU A 55 13.642 -5.317 7.874 1.00 2.76 O ATOM 796 CB GLU A 55 12.362 -7.889 7.203 1.00 1.83 C ATOM 797 CG GLU A 55 12.970 -8.097 8.580 1.00 2.25 C ATOM 798 CD GLU A 55 12.126 -9.004 9.456 1.00 2.84 C ATOM 799 OE1 GLU A 55 12.229 -10.240 9.303 1.00 3.44 O ATOM 800 OE2 GLU A 55 11.362 -8.479 10.291 1.00 3.23 O ATOM 0 H GLU A 55 15.290 -6.914 6.527 1.00 1.38 H new ATOM 0 HA GLU A 55 12.783 -7.092 5.273 1.00 1.41 H new ATOM 0 HB2 GLU A 55 11.390 -7.408 7.314 1.00 1.83 H new ATOM 0 HB3 GLU A 55 12.186 -8.861 6.743 1.00 1.83 H new ATOM 0 HG2 GLU A 55 13.967 -8.525 8.473 1.00 2.25 H new ATOM 0 HG3 GLU A 55 13.089 -7.131 9.071 1.00 2.25 H new ATOM 807 N GLU A 56 12.912 -4.678 5.844 1.00 1.48 N ATOM 808 CA GLU A 56 12.935 -3.260 6.175 1.00 2.23 C ATOM 809 C GLU A 56 11.936 -2.493 5.317 1.00 1.95 C ATOM 810 O GLU A 56 10.884 -3.024 4.962 1.00 2.10 O ATOM 811 CB GLU A 56 14.351 -2.703 5.990 1.00 3.00 C ATOM 812 CG GLU A 56 14.711 -1.612 6.986 1.00 3.90 C ATOM 813 CD GLU A 56 15.325 -0.393 6.324 1.00 4.81 C ATOM 814 OE1 GLU A 56 16.439 -0.515 5.774 1.00 5.23 O ATOM 815 OE2 GLU A 56 14.692 0.683 6.356 1.00 5.45 O ATOM 0 H GLU A 56 12.603 -4.888 4.895 1.00 1.48 H new ATOM 0 HA GLU A 56 12.646 -3.137 7.219 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.068 -3.519 6.082 1.00 3.00 H new ATOM 0 HB3 GLU A 56 14.447 -2.307 4.979 1.00 3.00 H new ATOM 0 HG2 GLU A 56 13.815 -1.312 7.530 1.00 3.90 H new ATOM 0 HG3 GLU A 56 15.410 -2.012 7.720 1.00 3.90 H new ATOM 822 N VAL A 57 12.252 -1.243 4.991 1.00 1.67 N ATOM 823 CA VAL A 57 11.348 -0.436 4.186 1.00 1.42 C ATOM 824 C VAL A 57 11.929 -0.138 2.809 1.00 1.40 C ATOM 825 O VAL A 57 12.989 0.474 2.681 1.00 1.59 O ATOM 826 CB VAL A 57 11.020 0.901 4.880 1.00 1.41 C ATOM 827 CG1 VAL A 57 9.838 1.582 4.205 1.00 1.30 C ATOM 828 CG2 VAL A 57 10.749 0.690 6.365 1.00 1.54 C ATOM 0 H VAL A 57 13.115 -0.774 5.268 1.00 1.67 H new ATOM 0 HA VAL A 57 10.436 -1.022 4.071 1.00 1.42 H new ATOM 0 HB VAL A 57 11.888 1.554 4.786 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.623 2.524 4.710 1.00 1.30 H new ATOM 0 HG12 VAL A 57 10.079 1.778 3.160 1.00 1.30 H new ATOM 0 HG13 VAL A 57 8.964 0.933 4.260 1.00 1.30 H new ATOM 0 HG21 VAL A 57 10.520 1.648 6.833 1.00 1.54 H new ATOM 0 HG22 VAL A 57 9.902 0.014 6.488 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.630 0.257 6.838 1.00 1.54 H new ATOM 838 N THR A 58 11.201 -0.555 1.784 1.00 1.27 N ATOM 839 CA THR A 58 11.598 -0.318 0.401 1.00 1.34 C ATOM 840 C THR A 58 10.648 0.697 -0.209 1.00 1.12 C ATOM 841 O THR A 58 9.543 0.879 0.298 1.00 1.30 O ATOM 842 CB THR A 58 11.567 -1.621 -0.401 1.00 1.50 C ATOM 843 OG1 THR A 58 12.378 -2.608 0.210 1.00 2.10 O ATOM 844 CG2 THR A 58 12.040 -1.451 -1.829 1.00 1.84 C ATOM 0 H THR A 58 10.323 -1.064 1.884 1.00 1.27 H new ATOM 0 HA THR A 58 12.618 0.066 0.376 1.00 1.34 H new ATOM 0 HB THR A 58 10.522 -1.929 -0.415 1.00 1.50 H new ATOM 0 HG1 THR A 58 12.343 -3.433 -0.318 1.00 2.10 H new ATOM 0 HG21 THR A 58 11.994 -2.410 -2.344 1.00 1.84 H new ATOM 0 HG22 THR A 58 11.400 -0.733 -2.341 1.00 1.84 H new ATOM 0 HG23 THR A 58 13.067 -1.087 -1.831 1.00 1.84 H new ATOM 852 N CYS A 59 11.059 1.380 -1.272 1.00 0.96 N ATOM 853 CA CYS A 59 10.177 2.382 -1.866 1.00 0.91 C ATOM 854 C CYS A 59 10.706 2.919 -3.187 1.00 0.85 C ATOM 855 O CYS A 59 11.715 2.448 -3.711 1.00 0.97 O ATOM 856 CB CYS A 59 9.999 3.541 -0.882 1.00 1.12 C ATOM 857 SG CYS A 59 11.551 4.088 -0.101 1.00 1.76 S ATOM 0 H CYS A 59 11.964 1.266 -1.728 1.00 0.96 H new ATOM 0 HA CYS A 59 9.223 1.897 -2.073 1.00 0.91 H new ATOM 0 HB2 CYS A 59 9.550 4.385 -1.406 1.00 1.12 H new ATOM 0 HB3 CYS A 59 9.298 3.240 -0.104 1.00 1.12 H new ATOM 862 N CYS A 60 10.017 3.934 -3.707 1.00 0.81 N ATOM 863 CA CYS A 60 10.415 4.568 -4.957 1.00 0.92 C ATOM 864 C CYS A 60 9.846 5.987 -5.046 1.00 1.07 C ATOM 865 O CYS A 60 8.740 6.262 -4.568 1.00 1.18 O ATOM 866 CB CYS A 60 9.995 3.712 -6.161 1.00 1.06 C ATOM 867 SG CYS A 60 8.286 3.963 -6.733 1.00 1.28 S ATOM 0 H CYS A 60 9.181 4.333 -3.280 1.00 0.81 H new ATOM 0 HA CYS A 60 11.502 4.646 -4.976 1.00 0.92 H new ATOM 0 HB2 CYS A 60 10.672 3.921 -6.989 1.00 1.06 H new ATOM 0 HB3 CYS A 60 10.124 2.661 -5.902 1.00 1.06 H new ATOM 872 N SER A 61 10.637 6.884 -5.632 1.00 1.42 N ATOM 873 CA SER A 61 10.276 8.294 -5.771 1.00 1.75 C ATOM 874 C SER A 61 9.034 8.505 -6.622 1.00 1.50 C ATOM 875 O SER A 61 9.129 8.752 -7.825 1.00 2.04 O ATOM 876 CB SER A 61 11.444 9.073 -6.378 1.00 2.45 C ATOM 877 OG SER A 61 12.671 8.705 -5.772 1.00 3.07 O ATOM 0 H SER A 61 11.549 6.653 -6.025 1.00 1.42 H new ATOM 0 HA SER A 61 10.051 8.662 -4.770 1.00 1.75 H new ATOM 0 HB2 SER A 61 11.493 8.884 -7.450 1.00 2.45 H new ATOM 0 HB3 SER A 61 11.278 10.143 -6.250 1.00 2.45 H new ATOM 0 HG SER A 61 13.402 9.215 -6.178 1.00 3.07 H new ATOM 883 N THR A 62 7.871 8.443 -5.987 1.00 1.19 N ATOM 884 CA THR A 62 6.613 8.666 -6.686 1.00 1.51 C ATOM 885 C THR A 62 5.419 8.612 -5.734 1.00 1.17 C ATOM 886 O THR A 62 5.510 9.002 -4.570 1.00 1.76 O ATOM 887 CB THR A 62 6.431 7.657 -7.821 1.00 2.24 C ATOM 888 OG1 THR A 62 5.310 7.993 -8.616 1.00 2.63 O ATOM 889 CG2 THR A 62 6.239 6.238 -7.347 1.00 3.17 C ATOM 0 H THR A 62 7.773 8.241 -4.992 1.00 1.19 H new ATOM 0 HA THR A 62 6.656 9.668 -7.112 1.00 1.51 H new ATOM 0 HB THR A 62 7.357 7.707 -8.393 1.00 2.24 H new ATOM 0 HG1 THR A 62 5.212 7.337 -9.337 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.117 5.580 -8.208 1.00 3.17 H new ATOM 0 HG22 THR A 62 7.111 5.925 -6.772 1.00 3.17 H new ATOM 0 HG23 THR A 62 5.351 6.182 -6.718 1.00 3.17 H new ATOM 897 N ASP A 63 4.302 8.137 -6.261 1.00 1.15 N ATOM 898 CA ASP A 63 3.053 8.028 -5.506 1.00 1.03 C ATOM 899 C ASP A 63 2.804 6.593 -5.069 1.00 1.09 C ATOM 900 O ASP A 63 3.735 5.912 -4.648 1.00 1.65 O ATOM 901 CB ASP A 63 1.887 8.551 -6.353 1.00 1.37 C ATOM 902 CG ASP A 63 2.227 9.833 -7.089 1.00 1.72 C ATOM 903 OD1 ASP A 63 3.230 9.843 -7.833 1.00 2.35 O ATOM 904 OD2 ASP A 63 1.490 10.827 -6.921 1.00 2.19 O ATOM 0 H ASP A 63 4.230 7.814 -7.226 1.00 1.15 H new ATOM 0 HA ASP A 63 3.135 8.637 -4.606 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.597 7.788 -7.075 1.00 1.37 H new ATOM 0 HB3 ASP A 63 1.025 8.724 -5.709 1.00 1.37 H new ATOM 909 N LYS A 64 1.548 6.145 -5.154 1.00 0.90 N ATOM 910 CA LYS A 64 1.172 4.789 -4.758 1.00 0.95 C ATOM 911 C LYS A 64 2.167 3.767 -5.295 1.00 0.92 C ATOM 912 O LYS A 64 1.849 2.970 -6.178 1.00 1.04 O ATOM 913 CB LYS A 64 -0.240 4.459 -5.253 1.00 1.17 C ATOM 914 CG LYS A 64 -0.449 4.737 -6.732 1.00 1.41 C ATOM 915 CD LYS A 64 -1.811 4.252 -7.203 1.00 1.82 C ATOM 916 CE LYS A 64 -1.726 2.864 -7.818 1.00 2.05 C ATOM 917 NZ LYS A 64 -2.947 2.055 -7.542 1.00 2.31 N ATOM 0 H LYS A 64 0.770 6.709 -5.497 1.00 0.90 H new ATOM 0 HA LYS A 64 1.185 4.741 -3.669 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.448 3.407 -5.057 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -0.962 5.039 -4.678 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -0.358 5.807 -6.919 1.00 1.41 H new ATOM 0 HG3 LYS A 64 0.333 4.245 -7.310 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -2.504 4.237 -6.362 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -2.214 4.952 -7.935 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -1.586 2.953 -8.895 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -0.851 2.346 -7.424 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -2.848 1.116 -7.979 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -3.067 1.948 -6.515 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -3.779 2.536 -7.940 1.00 2.31 H new ATOM 931 N CYS A 65 3.377 3.814 -4.755 1.00 0.87 N ATOM 932 CA CYS A 65 4.447 2.909 -5.160 1.00 0.95 C ATOM 933 C CYS A 65 4.472 1.656 -4.285 1.00 0.99 C ATOM 934 O CYS A 65 5.288 0.759 -4.494 1.00 1.20 O ATOM 935 CB CYS A 65 5.791 3.629 -5.067 1.00 1.07 C ATOM 936 SG CYS A 65 7.209 2.641 -5.638 1.00 1.10 S ATOM 0 H CYS A 65 3.645 4.477 -4.027 1.00 0.87 H new ATOM 0 HA CYS A 65 4.263 2.602 -6.189 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.741 4.545 -5.655 1.00 1.07 H new ATOM 0 HB3 CYS A 65 5.962 3.924 -4.032 1.00 1.07 H new ATOM 941 N ASN A 66 3.585 1.610 -3.295 1.00 0.97 N ATOM 942 CA ASN A 66 3.516 0.479 -2.379 1.00 1.10 C ATOM 943 C ASN A 66 2.569 -0.640 -2.842 1.00 1.10 C ATOM 944 O ASN A 66 2.591 -1.733 -2.275 1.00 1.36 O ATOM 945 CB ASN A 66 3.103 0.960 -0.989 1.00 1.36 C ATOM 946 CG ASN A 66 1.931 1.918 -1.031 1.00 1.42 C ATOM 947 OD1 ASN A 66 0.985 1.725 -1.792 1.00 2.26 O ATOM 948 ND2 ASN A 66 1.993 2.963 -0.214 1.00 1.30 N ATOM 0 H ASN A 66 2.903 2.345 -3.108 1.00 0.97 H new ATOM 0 HA ASN A 66 4.516 0.046 -2.355 1.00 1.10 H new ATOM 0 HB2 ASN A 66 2.843 0.099 -0.373 1.00 1.36 H new ATOM 0 HB3 ASN A 66 3.951 1.450 -0.511 1.00 1.36 H new ATOM 0 HD21 ASN A 66 1.235 3.646 -0.201 1.00 1.30 H new ATOM 0 HD22 ASN A 66 2.798 3.083 0.401 1.00 1.30 H new ATOM 955 N PRO A 67 1.722 -0.405 -3.860 1.00 1.16 N ATOM 956 CA PRO A 67 0.788 -1.423 -4.350 1.00 1.40 C ATOM 957 C PRO A 67 1.487 -2.740 -4.662 1.00 1.32 C ATOM 958 O PRO A 67 2.648 -2.758 -5.068 1.00 2.15 O ATOM 959 CB PRO A 67 0.212 -0.799 -5.621 1.00 1.82 C ATOM 960 CG PRO A 67 0.342 0.668 -5.407 1.00 1.96 C ATOM 961 CD PRO A 67 1.598 0.853 -4.606 1.00 1.39 C ATOM 0 HA PRO A 67 0.029 -1.674 -3.609 1.00 1.40 H new ATOM 0 HB2 PRO A 67 0.761 -1.121 -6.506 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -0.829 -1.088 -5.769 1.00 1.82 H new ATOM 0 HG2 PRO A 67 0.402 1.198 -6.357 1.00 1.96 H new ATOM 0 HG3 PRO A 67 -0.523 1.064 -4.875 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.461 1.024 -5.249 1.00 1.39 H new ATOM 0 HD3 PRO A 67 1.524 1.710 -3.937 1.00 1.39 H new ATOM 969 N HIS A 68 0.773 -3.841 -4.464 1.00 1.17 N ATOM 970 CA HIS A 68 1.328 -5.163 -4.717 1.00 1.35 C ATOM 971 C HIS A 68 0.280 -6.098 -5.322 1.00 1.64 C ATOM 972 O HIS A 68 0.032 -7.185 -4.799 1.00 1.88 O ATOM 973 CB HIS A 68 1.868 -5.755 -3.414 1.00 1.54 C ATOM 974 CG HIS A 68 0.968 -5.530 -2.238 1.00 1.41 C ATOM 975 ND1 HIS A 68 -0.231 -6.188 -2.071 1.00 1.87 N ATOM 976 CD2 HIS A 68 1.093 -4.706 -1.167 1.00 1.36 C ATOM 977 CE1 HIS A 68 -0.803 -5.781 -0.955 1.00 2.07 C ATOM 978 NE2 HIS A 68 -0.020 -4.882 -0.387 1.00 1.71 N ATOM 0 H HIS A 68 -0.191 -3.844 -4.129 1.00 1.17 H new ATOM 0 HA HIS A 68 2.141 -5.060 -5.435 1.00 1.35 H new ATOM 0 HB2 HIS A 68 2.019 -6.826 -3.546 1.00 1.54 H new ATOM 0 HB3 HIS A 68 2.844 -5.319 -3.203 1.00 1.54 H new ATOM 0 HD1 HIS A 68 -0.616 -6.882 -2.711 1.00 1.87 H new ATOM 0 HD2 HIS A 68 1.916 -4.036 -0.967 1.00 1.36 H new ATOM 0 HE1 HIS A 68 -1.752 -6.125 -0.570 1.00 2.07 H new ATOM 987 N PRO A 69 -0.354 -5.693 -6.439 1.00 2.29 N ATOM 988 CA PRO A 69 -1.365 -6.500 -7.103 1.00 2.71 C ATOM 989 C PRO A 69 -0.767 -7.436 -8.152 1.00 2.34 C ATOM 990 O PRO A 69 -0.659 -8.642 -7.927 1.00 3.02 O ATOM 991 CB PRO A 69 -2.265 -5.450 -7.757 1.00 3.76 C ATOM 992 CG PRO A 69 -1.411 -4.230 -7.947 1.00 4.04 C ATOM 993 CD PRO A 69 -0.139 -4.422 -7.148 1.00 3.10 C ATOM 0 HA PRO A 69 -1.889 -7.161 -6.412 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -2.651 -5.808 -8.711 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -3.127 -5.228 -7.127 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -1.180 -4.087 -9.003 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -1.941 -3.338 -7.612 1.00 4.04 H new ATOM 0 HD2 PRO A 69 0.736 -4.469 -7.796 1.00 3.10 H new ATOM 0 HD3 PRO A 69 0.024 -3.599 -6.452 1.00 3.10 H new ATOM 1001 N LYS A 70 -0.377 -6.875 -9.293 1.00 2.00 N ATOM 1002 CA LYS A 70 0.216 -7.658 -10.376 1.00 2.33 C ATOM 1003 C LYS A 70 -0.647 -8.873 -10.710 1.00 2.26 C ATOM 1004 O LYS A 70 -0.141 -9.890 -11.185 1.00 2.99 O ATOM 1005 CB LYS A 70 1.628 -8.119 -10.003 1.00 3.09 C ATOM 1006 CG LYS A 70 2.385 -7.148 -9.105 1.00 3.73 C ATOM 1007 CD LYS A 70 2.670 -7.757 -7.740 1.00 4.47 C ATOM 1008 CE LYS A 70 3.506 -9.022 -7.857 1.00 5.07 C ATOM 1009 NZ LYS A 70 4.041 -9.458 -6.537 1.00 5.67 N ATOM 0 H LYS A 70 -0.461 -5.878 -9.493 1.00 2.00 H new ATOM 0 HA LYS A 70 0.272 -7.015 -11.254 1.00 2.33 H new ATOM 0 HB2 LYS A 70 1.562 -9.084 -9.501 1.00 3.09 H new ATOM 0 HB3 LYS A 70 2.201 -8.273 -10.917 1.00 3.09 H new ATOM 0 HG2 LYS A 70 3.324 -6.866 -9.582 1.00 3.73 H new ATOM 0 HG3 LYS A 70 1.803 -6.235 -8.983 1.00 3.73 H new ATOM 0 HD2 LYS A 70 3.193 -7.030 -7.118 1.00 4.47 H new ATOM 0 HD3 LYS A 70 1.729 -7.986 -7.239 1.00 4.47 H new ATOM 0 HE2 LYS A 70 2.899 -9.820 -8.284 1.00 5.07 H new ATOM 0 HE3 LYS A 70 4.334 -8.848 -8.545 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 4.605 -10.323 -6.660 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 4.641 -8.707 -6.140 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 3.251 -9.649 -5.888 1.00 5.67 H new ATOM 1023 N GLN A 71 -1.947 -8.763 -10.458 1.00 2.06 N ATOM 1024 CA GLN A 71 -2.869 -9.859 -10.734 1.00 2.50 C ATOM 1025 C GLN A 71 -2.807 -10.269 -12.201 1.00 1.86 C ATOM 1026 O GLN A 71 -2.831 -11.457 -12.527 1.00 2.31 O ATOM 1027 CB GLN A 71 -4.301 -9.466 -10.358 1.00 3.57 C ATOM 1028 CG GLN A 71 -4.670 -8.043 -10.746 1.00 4.33 C ATOM 1029 CD GLN A 71 -4.908 -7.154 -9.540 1.00 5.35 C ATOM 1030 OE1 GLN A 71 -5.231 -7.636 -8.454 1.00 5.85 O ATOM 1031 NE2 GLN A 71 -4.749 -5.849 -9.728 1.00 6.01 N ATOM 0 H GLN A 71 -2.385 -7.930 -10.065 1.00 2.06 H new ATOM 0 HA GLN A 71 -2.567 -10.711 -10.125 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -4.995 -10.155 -10.839 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -4.429 -9.584 -9.282 1.00 3.57 H new ATOM 0 HG2 GLN A 71 -3.872 -7.618 -11.355 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -5.568 -8.060 -11.364 1.00 4.33 H new ATOM 0 HE21 GLN A 71 -4.480 -5.495 -10.646 1.00 6.01 H new ATOM 0 HE22 GLN A 71 -4.895 -5.201 -8.954 1.00 6.01 H new ATOM 1040 N ARG A 72 -2.725 -9.280 -13.087 1.00 1.67 N ATOM 1041 CA ARG A 72 -2.659 -9.536 -14.524 1.00 1.59 C ATOM 1042 C ARG A 72 -3.727 -10.540 -14.954 1.00 1.44 C ATOM 1043 O ARG A 72 -3.415 -11.620 -15.456 1.00 1.86 O ATOM 1044 CB ARG A 72 -1.269 -10.055 -14.904 1.00 2.48 C ATOM 1045 CG ARG A 72 -0.903 -9.807 -16.358 1.00 3.28 C ATOM 1046 CD ARG A 72 -0.129 -8.511 -16.524 1.00 4.14 C ATOM 1047 NE ARG A 72 -0.257 -7.963 -17.873 1.00 4.72 N ATOM 1048 CZ ARG A 72 -1.316 -7.278 -18.298 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -2.346 -7.065 -17.489 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -1.345 -6.805 -19.537 1.00 6.26 N ATOM 0 H ARG A 72 -2.703 -8.292 -12.835 1.00 1.67 H new ATOM 0 HA ARG A 72 -2.846 -8.596 -15.044 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -0.525 -9.579 -14.265 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -1.223 -11.126 -14.704 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -0.306 -10.639 -16.731 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -1.810 -9.770 -16.961 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -0.488 -7.779 -15.800 1.00 4.14 H new ATOM 0 HD3 ARG A 72 0.924 -8.687 -16.303 1.00 4.14 H new ATOM 0 HE ARG A 72 0.511 -8.115 -18.527 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -2.329 -7.427 -16.536 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -3.155 -6.539 -17.821 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -0.556 -6.966 -20.163 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -2.156 -6.280 -19.864 1.00 6.26 H new ATOM 1064 N PRO A 73 -5.011 -10.193 -14.757 1.00 2.17 N ATOM 1065 CA PRO A 73 -6.130 -11.064 -15.121 1.00 2.96 C ATOM 1066 C PRO A 73 -6.408 -11.058 -16.620 1.00 2.97 C ATOM 1067 O PRO A 73 -6.451 -10.002 -17.251 1.00 3.20 O ATOM 1068 CB PRO A 73 -7.304 -10.455 -14.355 1.00 4.03 C ATOM 1069 CG PRO A 73 -6.972 -9.006 -14.253 1.00 4.11 C ATOM 1070 CD PRO A 73 -5.469 -8.923 -14.160 1.00 3.05 C ATOM 0 HA PRO A 73 -5.935 -12.108 -14.877 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -8.245 -10.610 -14.882 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -7.412 -10.908 -13.369 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -7.339 -8.461 -15.123 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -7.441 -8.560 -13.376 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -5.081 -8.062 -14.704 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -5.137 -8.823 -13.127 1.00 3.05 H new ATOM 1078 N GLY A 74 -6.597 -12.247 -17.185 1.00 3.36 N ATOM 1079 CA GLY A 74 -6.869 -12.357 -18.606 1.00 3.85 C ATOM 1080 C GLY A 74 -6.529 -13.729 -19.156 1.00 4.53 C ATOM 1081 O GLY A 74 -6.804 -14.731 -18.463 1.00 5.10 O ATOM 1082 OXT GLY A 74 -5.989 -13.800 -20.280 1.00 4.92 O ATOM 0 H GLY A 74 -6.567 -13.135 -16.684 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -7.923 -12.146 -18.789 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -6.295 -11.601 -19.142 1.00 3.85 H new ATOM 1087 N ILE B 178 -9.002 -18.763 23.282 1.00 3.07 N ATOM 1088 CA ILE B 178 -10.339 -18.108 23.265 1.00 2.53 C ATOM 1089 C ILE B 178 -10.222 -16.589 23.144 1.00 2.20 C ATOM 1090 O ILE B 178 -10.930 -15.971 22.350 1.00 2.61 O ATOM 1091 CB ILE B 178 -11.154 -18.446 24.531 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -10.994 -19.925 24.895 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -12.621 -18.101 24.321 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -10.047 -20.164 26.049 1.00 3.49 C ATOM 0 HA ILE B 178 -10.858 -18.498 22.389 1.00 2.53 H new ATOM 0 HB ILE B 178 -10.773 -17.849 25.359 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -11.971 -20.337 25.146 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -10.634 -20.469 24.022 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -13.185 -18.344 25.222 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -12.718 -17.036 24.109 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -13.013 -18.675 23.481 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -9.983 -21.233 26.251 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -9.058 -19.783 25.793 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -10.416 -19.649 26.936 1.00 3.49 H new ATOM 1108 N PRO B 179 -9.325 -15.960 23.930 1.00 2.20 N ATOM 1109 CA PRO B 179 -9.136 -14.506 23.890 1.00 2.43 C ATOM 1110 C PRO B 179 -8.790 -14.006 22.492 1.00 2.12 C ATOM 1111 O PRO B 179 -8.704 -14.789 21.546 1.00 2.52 O ATOM 1112 CB PRO B 179 -7.963 -14.264 24.846 1.00 3.31 C ATOM 1113 CG PRO B 179 -7.947 -15.453 25.744 1.00 3.56 C ATOM 1114 CD PRO B 179 -8.431 -16.605 24.909 1.00 2.87 C ATOM 0 HA PRO B 179 -10.045 -13.974 24.170 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -7.024 -14.168 24.302 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -8.099 -13.343 25.413 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -6.943 -15.641 26.125 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -8.593 -15.299 26.609 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -7.606 -17.123 24.420 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -8.960 -17.344 25.511 1.00 2.87 H new ATOM 1122 N GLY B 180 -8.592 -12.699 22.367 1.00 2.20 N ATOM 1123 CA GLY B 180 -8.255 -12.120 21.081 1.00 2.49 C ATOM 1124 C GLY B 180 -6.758 -12.064 20.846 1.00 2.05 C ATOM 1125 O GLY B 180 -6.291 -12.280 19.728 1.00 2.79 O ATOM 0 H GLY B 180 -8.659 -12.030 23.134 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -8.723 -12.705 20.289 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -8.667 -11.113 21.020 1.00 2.49 H new ATOM 1129 N LYS B 181 -6.007 -11.775 21.905 1.00 1.68 N ATOM 1130 CA LYS B 181 -4.554 -11.693 21.818 1.00 2.16 C ATOM 1131 C LYS B 181 -4.120 -10.605 20.840 1.00 1.86 C ATOM 1132 O LYS B 181 -4.579 -10.558 19.699 1.00 2.39 O ATOM 1133 CB LYS B 181 -3.979 -13.045 21.399 1.00 3.11 C ATOM 1134 CG LYS B 181 -2.901 -13.561 22.339 1.00 3.99 C ATOM 1135 CD LYS B 181 -1.978 -14.545 21.642 1.00 4.80 C ATOM 1136 CE LYS B 181 -2.606 -15.927 21.545 1.00 5.59 C ATOM 1137 NZ LYS B 181 -1.598 -17.009 21.715 1.00 6.37 N ATOM 0 H LYS B 181 -6.383 -11.593 22.836 1.00 1.68 H new ATOM 0 HA LYS B 181 -4.167 -11.430 22.803 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -4.787 -13.775 21.349 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -3.564 -12.959 20.395 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -2.319 -12.723 22.721 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -3.367 -14.044 23.198 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -1.744 -14.180 20.642 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -1.036 -14.610 22.186 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -3.379 -16.028 22.307 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -3.096 -16.036 20.577 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -2.067 -17.935 21.642 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -0.874 -16.928 20.973 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -1.148 -16.921 22.649 1.00 6.37 H new ATOM 1151 N ARG B 182 -3.231 -9.732 21.298 1.00 1.81 N ATOM 1152 CA ARG B 182 -2.731 -8.640 20.469 1.00 1.93 C ATOM 1153 C ARG B 182 -2.081 -9.169 19.195 1.00 1.94 C ATOM 1154 O ARG B 182 -0.933 -9.615 19.211 1.00 2.65 O ATOM 1155 CB ARG B 182 -1.723 -7.797 21.251 1.00 2.78 C ATOM 1156 CG ARG B 182 -2.366 -6.840 22.241 1.00 3.51 C ATOM 1157 CD ARG B 182 -1.322 -6.034 23.001 1.00 4.27 C ATOM 1158 NE ARG B 182 -0.191 -6.862 23.424 1.00 4.96 N ATOM 1159 CZ ARG B 182 0.878 -7.107 22.669 1.00 5.70 C ATOM 1160 NH1 ARG B 182 0.980 -6.577 21.455 1.00 5.93 N ATOM 1161 NH2 ARG B 182 1.849 -7.880 23.131 1.00 6.51 N ATOM 0 H ARG B 182 -2.841 -9.758 22.240 1.00 1.81 H new ATOM 0 HA ARG B 182 -3.581 -8.018 20.190 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -1.046 -8.461 21.788 1.00 2.78 H new ATOM 0 HB3 ARG B 182 -1.117 -7.226 20.548 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -3.034 -6.162 21.711 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -2.977 -7.402 22.947 1.00 3.51 H new ATOM 0 HD2 ARG B 182 -0.961 -5.222 22.370 1.00 4.27 H new ATOM 0 HD3 ARG B 182 -1.784 -5.576 23.876 1.00 4.27 H new ATOM 0 HE ARG B 182 -0.224 -7.277 24.355 1.00 4.96 H new ATOM 0 HH11 ARG B 182 0.237 -5.978 21.096 1.00 5.93 H new ATOM 0 HH12 ARG B 182 1.802 -6.769 20.882 1.00 5.93 H new ATOM 0 HH21 ARG B 182 1.777 -8.287 24.064 1.00 6.51 H new ATOM 0 HH22 ARG B 182 2.669 -8.069 22.554 1.00 6.51 H new ATOM 1175 N THR B 183 -2.818 -9.111 18.092 1.00 2.03 N ATOM 1176 CA THR B 183 -2.312 -9.577 16.807 1.00 2.67 C ATOM 1177 C THR B 183 -2.993 -8.839 15.660 1.00 2.51 C ATOM 1178 O THR B 183 -3.762 -9.425 14.897 1.00 3.25 O ATOM 1179 CB THR B 183 -2.528 -11.085 16.661 1.00 3.75 C ATOM 1180 OG1 THR B 183 -1.958 -11.782 17.753 1.00 4.22 O ATOM 1181 CG2 THR B 183 -1.930 -11.652 15.392 1.00 4.70 C ATOM 0 H THR B 183 -3.770 -8.745 18.062 1.00 2.03 H new ATOM 0 HA THR B 183 -1.243 -9.369 16.768 1.00 2.67 H new ATOM 0 HB THR B 183 -3.609 -11.221 16.628 1.00 3.75 H new ATOM 0 HG1 THR B 183 -2.108 -12.744 17.641 1.00 4.22 H new ATOM 0 HG21 THR B 183 -2.118 -12.725 15.349 1.00 4.70 H new ATOM 0 HG22 THR B 183 -2.386 -11.169 14.528 1.00 4.70 H new ATOM 0 HG23 THR B 183 -0.855 -11.471 15.384 1.00 4.70 H new ATOM 1189 N GLU B 184 -2.713 -7.545 15.552 1.00 2.17 N ATOM 1190 CA GLU B 184 -3.303 -6.721 14.505 1.00 2.63 C ATOM 1191 C GLU B 184 -2.236 -6.185 13.557 1.00 1.99 C ATOM 1192 O GLU B 184 -1.779 -5.050 13.700 1.00 2.48 O ATOM 1193 CB GLU B 184 -4.082 -5.559 15.127 1.00 3.66 C ATOM 1194 CG GLU B 184 -3.224 -4.644 15.988 1.00 4.47 C ATOM 1195 CD GLU B 184 -3.803 -4.429 17.373 1.00 5.39 C ATOM 1196 OE1 GLU B 184 -3.785 -5.384 18.178 1.00 5.91 O ATOM 1197 OE2 GLU B 184 -4.277 -3.307 17.650 1.00 5.92 O ATOM 0 H GLU B 184 -2.081 -7.044 16.177 1.00 2.17 H new ATOM 0 HA GLU B 184 -3.986 -7.345 13.929 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -4.540 -4.972 14.331 1.00 3.66 H new ATOM 0 HB3 GLU B 184 -4.894 -5.960 15.734 1.00 3.66 H new ATOM 0 HG2 GLU B 184 -2.225 -5.070 16.079 1.00 4.47 H new ATOM 0 HG3 GLU B 184 -3.116 -3.680 15.490 1.00 4.47 H new ATOM 1204 N SER B 185 -1.850 -7.000 12.580 1.00 1.62 N ATOM 1205 CA SER B 185 -0.847 -6.599 11.603 1.00 1.32 C ATOM 1206 C SER B 185 -1.372 -6.856 10.197 1.00 1.14 C ATOM 1207 O SER B 185 -2.582 -6.832 9.975 1.00 1.33 O ATOM 1208 CB SER B 185 0.458 -7.364 11.839 1.00 1.85 C ATOM 1209 OG SER B 185 1.583 -6.529 11.627 1.00 2.53 O ATOM 0 H SER B 185 -2.217 -7.942 12.445 1.00 1.62 H new ATOM 0 HA SER B 185 -0.643 -5.534 11.714 1.00 1.32 H new ATOM 0 HB2 SER B 185 0.476 -7.753 12.857 1.00 1.85 H new ATOM 0 HB3 SER B 185 0.507 -8.222 11.169 1.00 1.85 H new ATOM 0 HG SER B 185 1.448 -5.999 10.814 1.00 2.53 H new ATOM 1215 N PHE B 186 -0.477 -7.115 9.248 1.00 0.93 N ATOM 1216 CA PHE B 186 -0.902 -7.387 7.886 1.00 0.80 C ATOM 1217 C PHE B 186 0.085 -8.287 7.174 1.00 0.66 C ATOM 1218 O PHE B 186 1.241 -8.416 7.577 1.00 0.75 O ATOM 1219 CB PHE B 186 -1.068 -6.099 7.087 1.00 0.92 C ATOM 1220 CG PHE B 186 -1.832 -6.295 5.806 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -3.003 -7.046 5.787 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -1.394 -5.722 4.617 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -3.709 -7.213 4.626 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -2.110 -5.885 3.462 1.00 1.51 C ATOM 1225 CZ PHE B 186 -3.263 -6.627 3.471 1.00 0.85 C ATOM 0 H PHE B 186 0.532 -7.141 9.397 1.00 0.93 H new ATOM 0 HA PHE B 186 -1.866 -7.891 7.951 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -1.583 -5.361 7.701 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -0.084 -5.691 6.857 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -3.359 -7.503 6.699 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -0.482 -5.144 4.605 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -4.613 -7.804 4.621 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -1.767 -5.430 2.545 1.00 1.51 H new ATOM 0 HZ PHE B 186 -3.826 -6.751 2.557 1.00 0.85 H new ATOM 1235 N TYR B 187 -0.385 -8.891 6.100 1.00 0.91 N ATOM 1236 CA TYR B 187 0.430 -9.767 5.299 1.00 1.05 C ATOM 1237 C TYR B 187 0.539 -9.199 3.885 1.00 1.22 C ATOM 1238 O TYR B 187 0.619 -7.982 3.720 1.00 1.44 O ATOM 1239 CB TYR B 187 -0.151 -11.184 5.347 1.00 1.25 C ATOM 1240 CG TYR B 187 0.737 -12.175 6.072 1.00 1.52 C ATOM 1241 CD1 TYR B 187 2.124 -12.156 5.930 1.00 2.13 C ATOM 1242 CD2 TYR B 187 0.181 -13.143 6.893 1.00 2.06 C ATOM 1243 CE1 TYR B 187 2.919 -13.074 6.589 1.00 2.51 C ATOM 1244 CE2 TYR B 187 0.967 -14.060 7.557 1.00 2.50 C ATOM 1245 CZ TYR B 187 2.334 -14.023 7.400 1.00 2.47 C ATOM 1246 OH TYR B 187 3.120 -14.936 8.062 1.00 3.02 O ATOM 0 H TYR B 187 -1.342 -8.785 5.763 1.00 0.91 H new ATOM 0 HA TYR B 187 1.445 -9.831 5.691 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -1.124 -11.153 5.837 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.318 -11.535 4.329 1.00 1.25 H new ATOM 0 HD1 TYR B 187 2.584 -11.413 5.295 1.00 2.13 H new ATOM 0 HD2 TYR B 187 -0.891 -13.180 7.015 1.00 2.06 H new ATOM 0 HE1 TYR B 187 3.992 -13.048 6.470 1.00 2.51 H new ATOM 0 HE2 TYR B 187 0.513 -14.803 8.196 1.00 2.50 H new ATOM 0 HH TYR B 187 3.496 -15.572 7.418 1.00 3.02 H new ATOM 1256 N GLU B 188 0.553 -10.048 2.873 1.00 1.44 N ATOM 1257 CA GLU B 188 0.668 -9.579 1.507 1.00 1.78 C ATOM 1258 C GLU B 188 -0.622 -8.922 1.024 1.00 1.81 C ATOM 1259 O GLU B 188 -0.609 -8.241 0.002 1.00 2.15 O ATOM 1260 CB GLU B 188 1.048 -10.733 0.586 1.00 2.16 C ATOM 1261 CG GLU B 188 1.098 -10.351 -0.885 1.00 2.93 C ATOM 1262 CD GLU B 188 2.268 -10.986 -1.610 1.00 3.70 C ATOM 1263 OE1 GLU B 188 3.408 -10.851 -1.124 1.00 4.13 O ATOM 1264 OE2 GLU B 188 2.041 -11.619 -2.663 1.00 4.33 O ATOM 0 H GLU B 188 0.486 -11.061 2.972 1.00 1.44 H new ATOM 0 HA GLU B 188 1.453 -8.823 1.481 1.00 1.78 H new ATOM 0 HB2 GLU B 188 2.022 -11.119 0.885 1.00 2.16 H new ATOM 0 HB3 GLU B 188 0.330 -11.543 0.718 1.00 2.16 H new ATOM 0 HG2 GLU B 188 0.168 -10.653 -1.367 1.00 2.93 H new ATOM 0 HG3 GLU B 188 1.165 -9.267 -0.973 1.00 2.93 H new ATOM 1271 N CYS B 189 -1.730 -9.100 1.754 1.00 1.58 N ATOM 1272 CA CYS B 189 -2.992 -8.471 1.347 1.00 1.74 C ATOM 1273 C CYS B 189 -4.218 -8.954 2.091 1.00 1.77 C ATOM 1274 O CYS B 189 -5.136 -8.170 2.341 1.00 1.94 O ATOM 1275 CB CYS B 189 -3.305 -8.690 -0.155 1.00 2.02 C ATOM 1276 SG CYS B 189 -4.442 -10.108 -0.539 1.00 2.25 S ATOM 0 H CYS B 189 -1.780 -9.658 2.606 1.00 1.58 H new ATOM 0 HA CYS B 189 -2.812 -7.422 1.583 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -3.746 -7.776 -0.553 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -2.365 -8.847 -0.684 1.00 2.02 H new ATOM 1281 N CYS B 190 -4.328 -10.247 2.306 1.00 1.78 N ATOM 1282 CA CYS B 190 -5.574 -10.740 2.848 1.00 2.00 C ATOM 1283 C CYS B 190 -5.459 -12.044 3.636 1.00 2.10 C ATOM 1284 O CYS B 190 -6.438 -12.782 3.758 1.00 2.27 O ATOM 1285 CB CYS B 190 -6.529 -10.906 1.652 1.00 2.26 C ATOM 1286 SG CYS B 190 -6.276 -9.682 0.286 1.00 2.48 S ATOM 0 H CYS B 190 -3.608 -10.946 2.125 1.00 1.78 H new ATOM 0 HA CYS B 190 -5.940 -10.023 3.583 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -6.412 -11.911 1.247 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -7.555 -10.824 2.010 1.00 2.26 H new ATOM 1291 N LYS B 191 -4.295 -12.310 4.205 1.00 2.47 N ATOM 1292 CA LYS B 191 -4.113 -13.511 5.017 1.00 2.86 C ATOM 1293 C LYS B 191 -4.419 -13.193 6.473 1.00 2.35 C ATOM 1294 O LYS B 191 -3.745 -13.683 7.380 1.00 2.77 O ATOM 1295 CB LYS B 191 -2.685 -14.041 4.892 1.00 3.80 C ATOM 1296 CG LYS B 191 -2.602 -15.411 4.238 1.00 4.39 C ATOM 1297 CD LYS B 191 -3.321 -16.464 5.065 1.00 4.90 C ATOM 1298 CE LYS B 191 -4.095 -17.435 4.187 1.00 5.66 C ATOM 1299 NZ LYS B 191 -5.524 -17.537 4.597 1.00 6.10 N ATOM 0 H LYS B 191 -3.467 -11.720 4.124 1.00 2.47 H new ATOM 0 HA LYS B 191 -4.797 -14.280 4.658 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -2.093 -13.334 4.312 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -2.237 -14.093 5.884 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -3.040 -15.367 3.241 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -1.557 -15.694 4.114 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -2.596 -17.014 5.665 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -4.005 -15.977 5.760 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -4.038 -17.110 3.148 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -3.631 -18.420 4.239 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -6.017 -18.208 3.974 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -5.580 -17.872 5.580 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -5.974 -16.602 4.523 1.00 6.10 H new ATOM 1313 N GLU B 192 -5.408 -12.336 6.696 1.00 1.95 N ATOM 1314 CA GLU B 192 -5.750 -11.925 8.046 1.00 2.22 C ATOM 1315 C GLU B 192 -4.563 -11.173 8.632 1.00 1.81 C ATOM 1316 O GLU B 192 -3.437 -11.349 8.171 1.00 2.43 O ATOM 1317 CB GLU B 192 -6.098 -13.137 8.916 1.00 3.14 C ATOM 1318 CG GLU B 192 -6.937 -14.185 8.198 1.00 3.77 C ATOM 1319 CD GLU B 192 -7.472 -15.249 9.137 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -7.218 -15.149 10.358 1.00 5.13 O ATOM 1321 OE2 GLU B 192 -8.145 -16.183 8.653 1.00 5.28 O ATOM 0 H GLU B 192 -5.981 -11.917 5.964 1.00 1.95 H new ATOM 0 HA GLU B 192 -6.627 -11.279 8.020 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -5.175 -13.600 9.265 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -6.637 -12.796 9.800 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -7.772 -13.695 7.697 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -6.334 -14.659 7.424 1.00 3.77 H new ATOM 1328 N PRO B 193 -4.780 -10.323 9.640 1.00 1.51 N ATOM 1329 CA PRO B 193 -3.690 -9.561 10.253 1.00 1.90 C ATOM 1330 C PRO B 193 -2.568 -10.474 10.735 1.00 1.60 C ATOM 1331 O PRO B 193 -2.468 -10.764 11.928 1.00 1.96 O ATOM 1332 CB PRO B 193 -4.363 -8.857 11.435 1.00 2.66 C ATOM 1333 CG PRO B 193 -5.812 -8.810 11.085 1.00 2.76 C ATOM 1334 CD PRO B 193 -6.085 -10.034 10.257 1.00 1.99 C ATOM 0 HA PRO B 193 -3.221 -8.870 9.552 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -4.199 -9.403 12.364 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -3.959 -7.855 11.579 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -6.429 -8.803 11.983 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -6.048 -7.903 10.528 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -6.433 -10.865 10.870 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -6.853 -9.849 9.506 1.00 1.99 H new ATOM 1342 N TYR B 194 -1.731 -10.949 9.807 1.00 1.23 N ATOM 1343 CA TYR B 194 -0.640 -11.849 10.175 1.00 1.39 C ATOM 1344 C TYR B 194 -1.231 -13.120 10.813 1.00 1.45 C ATOM 1345 O TYR B 194 -2.447 -13.313 10.744 1.00 1.96 O ATOM 1346 CB TYR B 194 0.324 -11.122 11.120 1.00 1.75 C ATOM 1347 CG TYR B 194 1.747 -11.014 10.588 1.00 1.52 C ATOM 1348 CD1 TYR B 194 2.284 -11.998 9.763 1.00 1.91 C ATOM 1349 CD2 TYR B 194 2.551 -9.929 10.916 1.00 2.04 C ATOM 1350 CE1 TYR B 194 3.574 -11.904 9.287 1.00 2.18 C ATOM 1351 CE2 TYR B 194 3.845 -9.832 10.440 1.00 2.43 C ATOM 1352 CZ TYR B 194 4.349 -10.823 9.628 1.00 2.27 C ATOM 1353 OH TYR B 194 5.635 -10.735 9.157 1.00 2.93 O ATOM 0 H TYR B 194 -1.788 -10.729 8.813 1.00 1.23 H new ATOM 0 HA TYR B 194 -0.073 -12.148 9.294 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -0.058 -10.120 11.312 1.00 1.75 H new ATOM 0 HB3 TYR B 194 0.343 -11.645 12.076 1.00 1.75 H new ATOM 0 HD1 TYR B 194 1.679 -12.850 9.491 1.00 1.91 H new ATOM 0 HD2 TYR B 194 2.159 -9.150 11.553 1.00 2.04 H new ATOM 0 HE1 TYR B 194 3.974 -12.678 8.648 1.00 2.18 H new ATOM 0 HE2 TYR B 194 4.458 -8.983 10.704 1.00 2.43 H new ATOM 0 HH TYR B 194 5.939 -9.805 9.207 1.00 2.93 H new ATOM 1363 N PRO B 195 -0.418 -14.021 11.431 1.00 1.87 N ATOM 1364 CA PRO B 195 -0.929 -15.253 12.042 1.00 2.22 C ATOM 1365 C PRO B 195 -2.350 -15.124 12.594 1.00 2.24 C ATOM 1366 O PRO B 195 -3.227 -15.920 12.256 1.00 2.85 O ATOM 1367 CB PRO B 195 0.071 -15.485 13.165 1.00 3.25 C ATOM 1368 CG PRO B 195 1.371 -15.033 12.589 1.00 3.64 C ATOM 1369 CD PRO B 195 1.053 -13.946 11.583 1.00 2.77 C ATOM 0 HA PRO B 195 -1.010 -16.067 11.322 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -0.190 -14.915 14.056 1.00 3.25 H new ATOM 0 HB3 PRO B 195 0.107 -16.535 13.457 1.00 3.25 H new ATOM 0 HG2 PRO B 195 2.029 -14.655 13.371 1.00 3.64 H new ATOM 0 HG3 PRO B 195 1.890 -15.863 12.110 1.00 3.64 H new ATOM 0 HD2 PRO B 195 1.368 -12.966 11.941 1.00 2.77 H new ATOM 0 HD3 PRO B 195 1.562 -14.118 10.635 1.00 2.77 H new ATOM 1377 N ASP B 196 -2.576 -14.120 13.434 1.00 2.52 N ATOM 1378 CA ASP B 196 -3.898 -13.898 14.012 1.00 3.36 C ATOM 1379 C ASP B 196 -4.377 -15.133 14.774 1.00 4.02 C ATOM 1380 O ASP B 196 -5.561 -15.163 15.170 1.00 4.44 O ATOM 1381 CB ASP B 196 -4.896 -13.539 12.909 1.00 3.87 C ATOM 1382 CG ASP B 196 -6.272 -13.203 13.449 1.00 4.51 C ATOM 1383 OD1 ASP B 196 -6.349 -12.562 14.519 1.00 4.88 O ATOM 1384 OD2 ASP B 196 -7.272 -13.582 12.805 1.00 5.03 O ATOM 0 H ASP B 196 -1.866 -13.450 13.729 1.00 2.52 H new ATOM 0 HA ASP B 196 -3.829 -13.070 14.717 1.00 3.36 H new ATOM 0 HB2 ASP B 196 -4.515 -12.689 12.343 1.00 3.87 H new ATOM 0 HB3 ASP B 196 -4.978 -14.374 12.213 1.00 3.87 H new