USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=26 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: B 185 SER OG : rot -72:sc= 1.49! USER MOD Set 1.2: B 194 TYR OH : rot 150:sc= 0.85 USER MOD Set 2.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -6.05! C(o=-6.1!,f=-8.1!) USER MOD Set 3.1: A 4 HIS : no HE2:sc= -5.27! C(o=-14!,f=-14!) USER MOD Set 3.2: A 66 ASN : amide:sc= -8.51 K(o=-14,f=-22!) USER MOD Single : A 1 ILE N :NH3+ -115:sc= 0.102 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 47:sc= 0.426 USER MOD Single : A 6 THR OG1 : rot -28:sc= 0.16 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00213 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.23 K(o=-3.2,f=-4.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.565 (180deg=-0.779) USER MOD Single : A 27 MET CE :methyl -118:sc= -5.55! (180deg=-12.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 150:sc= -0.064 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 23:sc= 0.292 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 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.8!) USER MOD Single : B 181 LYS NZ :NH3+ -144:sc= 0.708 (180deg=-2.07!) USER MOD Single : B 183 THR OG1 : rot 74:sc= 1.33 USER MOD Single : B 187 TYR OH : rot 153:sc= 0.016 USER MOD Single : B 191 LYS NZ :NH3+ 177:sc= -0.56 (180deg=-0.567) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.426 13.625 -6.565 1.00 1.46 N ATOM 2 CA ILE A 1 1.522 12.147 -6.695 1.00 1.08 C ATOM 3 C ILE A 1 0.573 11.451 -5.717 1.00 1.00 C ATOM 4 O ILE A 1 -0.049 12.099 -4.875 1.00 1.15 O ATOM 5 CB ILE A 1 2.973 11.664 -6.465 1.00 1.23 C ATOM 6 CG1 ILE A 1 3.217 10.337 -7.187 1.00 1.26 C ATOM 7 CG2 ILE A 1 3.275 11.529 -4.976 1.00 1.83 C ATOM 8 CD1 ILE A 1 4.511 10.303 -7.973 1.00 1.40 C ATOM 0 H1 ILE A 1 1.047 14.027 -7.446 1.00 1.46 H new ATOM 0 H2 ILE A 1 0.793 13.864 -5.775 1.00 1.46 H new ATOM 0 H3 ILE A 1 2.371 14.020 -6.383 1.00 1.46 H new ATOM 0 HA ILE A 1 1.228 11.884 -7.711 1.00 1.08 H new ATOM 0 HB ILE A 1 3.649 12.412 -6.879 1.00 1.23 H new ATOM 0 HG12 ILE A 1 3.226 9.530 -6.454 1.00 1.26 H new ATOM 0 HG13 ILE A 1 2.385 10.143 -7.864 1.00 1.26 H new ATOM 0 HG21 ILE A 1 4.302 11.188 -4.842 1.00 1.83 H new ATOM 0 HG22 ILE A 1 3.148 12.496 -4.490 1.00 1.83 H new ATOM 0 HG23 ILE A 1 2.592 10.806 -4.530 1.00 1.83 H new ATOM 0 HD11 ILE A 1 4.617 9.332 -8.458 1.00 1.40 H new ATOM 0 HD12 ILE A 1 4.498 11.087 -8.730 1.00 1.40 H new ATOM 0 HD13 ILE A 1 5.351 10.465 -7.298 1.00 1.40 H new ATOM 22 N VAL A 2 0.457 10.131 -5.841 1.00 0.90 N ATOM 23 CA VAL A 2 -0.426 9.357 -4.976 1.00 0.85 C ATOM 24 C VAL A 2 0.354 8.383 -4.094 1.00 0.77 C ATOM 25 O VAL A 2 1.487 8.018 -4.403 1.00 0.83 O ATOM 26 CB VAL A 2 -1.450 8.561 -5.811 1.00 0.88 C ATOM 27 CG1 VAL A 2 -0.740 7.605 -6.756 1.00 1.22 C ATOM 28 CG2 VAL A 2 -2.418 7.811 -4.909 1.00 1.68 C ATOM 0 H VAL A 2 0.963 9.577 -6.532 1.00 0.90 H new ATOM 0 HA VAL A 2 -0.945 10.071 -4.337 1.00 0.85 H new ATOM 0 HB VAL A 2 -2.026 9.267 -6.409 1.00 0.88 H new ATOM 0 HG11 VAL A 2 -1.478 7.052 -7.337 1.00 1.22 H new ATOM 0 HG12 VAL A 2 -0.097 8.171 -7.431 1.00 1.22 H new ATOM 0 HG13 VAL A 2 -0.135 6.906 -6.179 1.00 1.22 H new ATOM 0 HG21 VAL A 2 -3.130 7.257 -5.520 1.00 1.68 H new ATOM 0 HG22 VAL A 2 -1.864 7.116 -4.279 1.00 1.68 H new ATOM 0 HG23 VAL A 2 -2.955 8.522 -4.281 1.00 1.68 H new ATOM 38 N CYS A 3 -0.277 7.957 -3.000 1.00 0.75 N ATOM 39 CA CYS A 3 0.336 7.008 -2.078 1.00 0.70 C ATOM 40 C CYS A 3 -0.747 6.225 -1.340 1.00 0.63 C ATOM 41 O CYS A 3 -1.641 6.805 -0.726 1.00 0.70 O ATOM 42 CB CYS A 3 1.266 7.725 -1.088 1.00 0.79 C ATOM 43 SG CYS A 3 2.952 7.034 -1.039 1.00 1.11 S ATOM 0 H CYS A 3 -1.215 8.256 -2.732 1.00 0.75 H new ATOM 0 HA CYS A 3 0.943 6.308 -2.652 1.00 0.70 H new ATOM 0 HB2 CYS A 3 1.323 8.780 -1.355 1.00 0.79 H new ATOM 0 HB3 CYS A 3 0.831 7.671 -0.090 1.00 0.79 H new ATOM 48 N HIS A 4 -0.676 4.903 -1.436 1.00 0.71 N ATOM 49 CA HIS A 4 -1.663 4.029 -0.806 1.00 0.82 C ATOM 50 C HIS A 4 -1.870 4.359 0.670 1.00 1.09 C ATOM 51 O HIS A 4 -1.263 5.286 1.205 1.00 1.60 O ATOM 52 CB HIS A 4 -1.257 2.565 -0.964 1.00 1.02 C ATOM 53 CG HIS A 4 -1.686 1.974 -2.269 1.00 1.26 C ATOM 54 ND1 HIS A 4 -2.943 1.449 -2.481 1.00 1.97 N ATOM 55 CD2 HIS A 4 -1.023 1.843 -3.442 1.00 1.30 C ATOM 56 CE1 HIS A 4 -3.037 1.022 -3.726 1.00 2.45 C ATOM 57 NE2 HIS A 4 -1.886 1.249 -4.331 1.00 2.02 N ATOM 0 H HIS A 4 0.057 4.409 -1.946 1.00 0.71 H new ATOM 0 HA HIS A 4 -2.612 4.199 -1.315 1.00 0.82 H new ATOM 0 HB2 HIS A 4 -0.174 2.483 -0.874 1.00 1.02 H new ATOM 0 HB3 HIS A 4 -1.690 1.984 -0.149 1.00 1.02 H new ATOM 0 HD1 HIS A 4 -3.685 1.398 -1.783 1.00 1.97 H new ATOM 0 HD2 HIS A 4 -0.006 2.148 -3.642 1.00 1.30 H new ATOM 0 HE1 HIS A 4 -3.907 0.565 -4.174 1.00 2.45 H new ATOM 66 N THR A 5 -2.746 3.591 1.315 1.00 1.09 N ATOM 67 CA THR A 5 -3.060 3.793 2.726 1.00 1.47 C ATOM 68 C THR A 5 -2.210 2.881 3.620 1.00 1.49 C ATOM 69 O THR A 5 -1.138 2.430 3.216 1.00 1.87 O ATOM 70 CB THR A 5 -4.553 3.547 2.960 1.00 1.81 C ATOM 71 OG1 THR A 5 -4.881 3.669 4.333 1.00 2.39 O ATOM 72 CG2 THR A 5 -5.013 2.183 2.494 1.00 1.75 C ATOM 0 H THR A 5 -3.252 2.820 0.880 1.00 1.09 H new ATOM 0 HA THR A 5 -2.823 4.823 2.992 1.00 1.47 H new ATOM 0 HB THR A 5 -5.064 4.308 2.370 1.00 1.81 H new ATOM 0 HG1 THR A 5 -4.475 4.484 4.695 1.00 2.39 H new ATOM 0 HG21 THR A 5 -6.080 2.073 2.689 1.00 1.75 H new ATOM 0 HG22 THR A 5 -4.827 2.082 1.425 1.00 1.75 H new ATOM 0 HG23 THR A 5 -4.464 1.410 3.032 1.00 1.75 H new ATOM 80 N THR A 6 -2.685 2.633 4.840 1.00 1.69 N ATOM 81 CA THR A 6 -1.961 1.799 5.797 1.00 1.97 C ATOM 82 C THR A 6 -2.193 0.304 5.562 1.00 1.73 C ATOM 83 O THR A 6 -1.461 -0.527 6.097 1.00 2.23 O ATOM 84 CB THR A 6 -2.373 2.164 7.223 1.00 2.42 C ATOM 85 OG1 THR A 6 -1.703 1.344 8.165 1.00 2.93 O ATOM 86 CG2 THR A 6 -3.860 2.028 7.471 1.00 3.03 C ATOM 0 H THR A 6 -3.571 2.999 5.189 1.00 1.69 H new ATOM 0 HA THR A 6 -0.898 1.993 5.653 1.00 1.97 H new ATOM 0 HB THR A 6 -2.096 3.211 7.344 1.00 2.42 H new ATOM 0 HG1 THR A 6 -1.498 0.477 7.757 1.00 2.93 H new ATOM 0 HG21 THR A 6 -4.084 2.302 8.502 1.00 3.03 H new ATOM 0 HG22 THR A 6 -4.404 2.687 6.794 1.00 3.03 H new ATOM 0 HG23 THR A 6 -4.165 0.996 7.296 1.00 3.03 H new ATOM 94 N ALA A 7 -3.207 -0.039 4.769 1.00 1.30 N ATOM 95 CA ALA A 7 -3.512 -1.443 4.489 1.00 1.15 C ATOM 96 C ALA A 7 -4.159 -2.117 5.688 1.00 1.07 C ATOM 97 O ALA A 7 -3.902 -3.289 5.961 1.00 1.22 O ATOM 98 CB ALA A 7 -2.251 -2.195 4.084 1.00 1.54 C ATOM 0 H ALA A 7 -3.827 0.629 4.312 1.00 1.30 H new ATOM 0 HA ALA A 7 -4.220 -1.469 3.661 1.00 1.15 H new ATOM 0 HB1 ALA A 7 -2.498 -3.237 3.880 1.00 1.54 H new ATOM 0 HB2 ALA A 7 -1.828 -1.740 3.188 1.00 1.54 H new ATOM 0 HB3 ALA A 7 -1.523 -2.147 4.894 1.00 1.54 H new ATOM 104 N THR A 8 -5.014 -1.382 6.398 1.00 1.08 N ATOM 105 CA THR A 8 -5.705 -1.936 7.559 1.00 1.30 C ATOM 106 C THR A 8 -6.321 -3.281 7.189 1.00 1.29 C ATOM 107 O THR A 8 -6.335 -4.220 7.984 1.00 2.06 O ATOM 108 CB THR A 8 -6.791 -0.975 8.052 1.00 1.54 C ATOM 109 OG1 THR A 8 -6.822 0.201 7.261 1.00 2.07 O ATOM 110 CG2 THR A 8 -6.602 -0.552 9.493 1.00 2.05 C ATOM 0 H THR A 8 -5.243 -0.410 6.191 1.00 1.08 H new ATOM 0 HA THR A 8 -4.985 -2.077 8.365 1.00 1.30 H new ATOM 0 HB THR A 8 -7.726 -1.529 7.969 1.00 1.54 H new ATOM 0 HG1 THR A 8 -7.524 0.800 7.592 1.00 2.07 H new ATOM 0 HG21 THR A 8 -7.404 0.128 9.781 1.00 2.05 H new ATOM 0 HG22 THR A 8 -6.624 -1.432 10.136 1.00 2.05 H new ATOM 0 HG23 THR A 8 -5.642 -0.047 9.601 1.00 2.05 H new ATOM 118 N SER A 9 -6.813 -3.357 5.956 1.00 0.85 N ATOM 119 CA SER A 9 -7.416 -4.570 5.436 1.00 0.83 C ATOM 120 C SER A 9 -7.899 -4.350 4.003 1.00 0.92 C ATOM 121 O SER A 9 -7.402 -4.987 3.073 1.00 1.10 O ATOM 122 CB SER A 9 -8.553 -5.025 6.339 1.00 0.97 C ATOM 123 OG SER A 9 -9.583 -5.664 5.605 1.00 1.23 O ATOM 0 H SER A 9 -6.803 -2.580 5.295 1.00 0.85 H new ATOM 0 HA SER A 9 -6.665 -5.360 5.420 1.00 0.83 H new ATOM 0 HB2 SER A 9 -8.166 -5.709 7.094 1.00 0.97 H new ATOM 0 HB3 SER A 9 -8.963 -4.165 6.868 1.00 0.97 H new ATOM 0 HG SER A 9 -10.295 -5.944 6.217 1.00 1.23 H new ATOM 129 N PRO A 10 -8.856 -3.430 3.797 1.00 1.07 N ATOM 130 CA PRO A 10 -9.371 -3.125 2.466 1.00 1.23 C ATOM 131 C PRO A 10 -8.440 -2.190 1.705 1.00 1.08 C ATOM 132 O PRO A 10 -8.555 -0.968 1.800 1.00 1.21 O ATOM 133 CB PRO A 10 -10.689 -2.429 2.757 1.00 1.51 C ATOM 134 CG PRO A 10 -10.462 -1.737 4.058 1.00 1.71 C ATOM 135 CD PRO A 10 -9.500 -2.602 4.837 1.00 1.37 C ATOM 0 HA PRO A 10 -9.470 -4.014 1.844 1.00 1.23 H new ATOM 0 HB2 PRO A 10 -10.947 -1.721 1.970 1.00 1.51 H new ATOM 0 HB3 PRO A 10 -11.509 -3.143 2.824 1.00 1.51 H new ATOM 0 HG2 PRO A 10 -10.049 -0.740 3.901 1.00 1.71 H new ATOM 0 HG3 PRO A 10 -11.399 -1.612 4.600 1.00 1.71 H new ATOM 0 HD2 PRO A 10 -8.770 -2.001 5.380 1.00 1.37 H new ATOM 0 HD3 PRO A 10 -10.019 -3.216 5.573 1.00 1.37 H new ATOM 143 N ILE A 11 -7.512 -2.772 0.961 1.00 1.02 N ATOM 144 CA ILE A 11 -6.548 -1.995 0.192 1.00 1.04 C ATOM 145 C ILE A 11 -7.253 -1.100 -0.827 1.00 1.16 C ATOM 146 O ILE A 11 -8.052 -1.571 -1.635 1.00 1.22 O ATOM 147 CB ILE A 11 -5.520 -2.920 -0.518 1.00 1.10 C ATOM 148 CG1 ILE A 11 -4.110 -2.659 0.019 1.00 1.33 C ATOM 149 CG2 ILE A 11 -5.552 -2.745 -2.033 1.00 1.54 C ATOM 150 CD1 ILE A 11 -3.601 -3.746 0.941 1.00 0.91 C ATOM 0 H ILE A 11 -7.405 -3.782 0.872 1.00 1.02 H new ATOM 0 HA ILE A 11 -6.006 -1.358 0.891 1.00 1.04 H new ATOM 0 HB ILE A 11 -5.799 -3.951 -0.300 1.00 1.10 H new ATOM 0 HG12 ILE A 11 -3.424 -2.556 -0.821 1.00 1.33 H new ATOM 0 HG13 ILE A 11 -4.104 -1.709 0.553 1.00 1.33 H new ATOM 0 HG21 ILE A 11 -4.819 -3.409 -2.492 1.00 1.54 H new ATOM 0 HG22 ILE A 11 -6.546 -2.989 -2.407 1.00 1.54 H new ATOM 0 HG23 ILE A 11 -5.313 -1.712 -2.285 1.00 1.54 H new ATOM 0 HD11 ILE A 11 -2.597 -3.493 1.282 1.00 0.91 H new ATOM 0 HD12 ILE A 11 -4.265 -3.834 1.801 1.00 0.91 H new ATOM 0 HD13 ILE A 11 -3.574 -4.695 0.405 1.00 0.91 H new ATOM 162 N SER A 12 -6.942 0.192 -0.782 1.00 1.35 N ATOM 163 CA SER A 12 -7.536 1.156 -1.700 1.00 1.59 C ATOM 164 C SER A 12 -6.464 2.089 -2.266 1.00 1.67 C ATOM 165 O SER A 12 -5.749 1.718 -3.197 1.00 2.36 O ATOM 166 CB SER A 12 -8.640 1.952 -0.996 1.00 1.98 C ATOM 167 OG SER A 12 -8.299 2.211 0.355 1.00 2.52 O ATOM 0 H SER A 12 -6.281 0.595 -0.118 1.00 1.35 H new ATOM 0 HA SER A 12 -7.985 0.614 -2.532 1.00 1.59 H new ATOM 0 HB2 SER A 12 -8.804 2.894 -1.520 1.00 1.98 H new ATOM 0 HB3 SER A 12 -9.577 1.396 -1.038 1.00 1.98 H new ATOM 0 HG SER A 12 -9.018 2.721 0.782 1.00 2.52 H new ATOM 173 N ALA A 13 -6.343 3.293 -1.698 1.00 1.81 N ATOM 174 CA ALA A 13 -5.347 4.267 -2.150 1.00 2.23 C ATOM 175 C ALA A 13 -5.666 5.663 -1.631 1.00 2.01 C ATOM 176 O ALA A 13 -6.709 6.230 -1.957 1.00 2.59 O ATOM 177 CB ALA A 13 -5.259 4.290 -3.670 1.00 2.98 C ATOM 0 H ALA A 13 -6.923 3.616 -0.924 1.00 1.81 H new ATOM 0 HA ALA A 13 -4.383 3.958 -1.746 1.00 2.23 H new ATOM 0 HB1 ALA A 13 -4.513 5.021 -3.980 1.00 2.98 H new ATOM 0 HB2 ALA A 13 -4.973 3.303 -4.033 1.00 2.98 H new ATOM 0 HB3 ALA A 13 -6.229 4.562 -4.087 1.00 2.98 H new ATOM 183 N VAL A 14 -4.763 6.224 -0.831 1.00 1.42 N ATOM 184 CA VAL A 14 -4.961 7.562 -0.288 1.00 1.47 C ATOM 185 C VAL A 14 -3.938 8.540 -0.862 1.00 1.18 C ATOM 186 O VAL A 14 -3.426 8.345 -1.965 1.00 1.25 O ATOM 187 CB VAL A 14 -4.902 7.568 1.263 1.00 2.12 C ATOM 188 CG1 VAL A 14 -3.470 7.590 1.785 1.00 2.72 C ATOM 189 CG2 VAL A 14 -5.712 8.729 1.830 1.00 2.60 C ATOM 0 H VAL A 14 -3.892 5.775 -0.547 1.00 1.42 H new ATOM 0 HA VAL A 14 -5.959 7.886 -0.585 1.00 1.47 H new ATOM 0 HB VAL A 14 -5.349 6.636 1.607 1.00 2.12 H new ATOM 0 HG11 VAL A 14 -3.480 7.594 2.875 1.00 2.72 H new ATOM 0 HG12 VAL A 14 -2.940 6.706 1.430 1.00 2.72 H new ATOM 0 HG13 VAL A 14 -2.965 8.486 1.424 1.00 2.72 H new ATOM 0 HG21 VAL A 14 -5.657 8.714 2.918 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -5.307 9.671 1.459 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -6.752 8.634 1.518 1.00 2.60 H new ATOM 199 N THR A 15 -3.651 9.590 -0.109 1.00 1.40 N ATOM 200 CA THR A 15 -2.696 10.601 -0.544 1.00 1.51 C ATOM 201 C THR A 15 -1.721 10.955 0.573 1.00 1.11 C ATOM 202 O THR A 15 -2.124 11.236 1.702 1.00 1.51 O ATOM 203 CB THR A 15 -3.430 11.860 -1.010 1.00 2.24 C ATOM 204 OG1 THR A 15 -4.370 11.546 -2.022 1.00 2.88 O ATOM 205 CG2 THR A 15 -2.505 12.924 -1.557 1.00 2.67 C ATOM 0 H THR A 15 -4.065 9.766 0.807 1.00 1.40 H new ATOM 0 HA THR A 15 -2.128 10.187 -1.377 1.00 1.51 H new ATOM 0 HB THR A 15 -3.923 12.253 -0.121 1.00 2.24 H new ATOM 0 HG1 THR A 15 -4.830 12.363 -2.306 1.00 2.88 H new ATOM 0 HG21 THR A 15 -3.090 13.789 -1.869 1.00 2.67 H new ATOM 0 HG22 THR A 15 -1.798 13.224 -0.784 1.00 2.67 H new ATOM 0 HG23 THR A 15 -1.959 12.527 -2.413 1.00 2.67 H new ATOM 213 N CYS A 16 -0.433 10.944 0.246 1.00 1.25 N ATOM 214 CA CYS A 16 0.606 11.268 1.214 1.00 0.96 C ATOM 215 C CYS A 16 0.919 12.769 1.181 1.00 1.09 C ATOM 216 O CYS A 16 0.981 13.365 0.105 1.00 1.57 O ATOM 217 CB CYS A 16 1.868 10.453 0.918 1.00 1.10 C ATOM 218 SG CYS A 16 3.135 10.533 2.224 1.00 1.48 S ATOM 0 H CYS A 16 -0.084 10.714 -0.684 1.00 1.25 H new ATOM 0 HA CYS A 16 0.249 11.014 2.212 1.00 0.96 H new ATOM 0 HB2 CYS A 16 1.586 9.411 0.765 1.00 1.10 H new ATOM 0 HB3 CYS A 16 2.304 10.806 -0.017 1.00 1.10 H new ATOM 223 N PRO A 17 1.103 13.406 2.357 1.00 1.51 N ATOM 224 CA PRO A 17 1.394 14.845 2.455 1.00 1.98 C ATOM 225 C PRO A 17 2.345 15.356 1.368 1.00 1.78 C ATOM 226 O PRO A 17 2.981 14.575 0.665 1.00 2.07 O ATOM 227 CB PRO A 17 2.042 14.956 3.830 1.00 2.91 C ATOM 228 CG PRO A 17 1.365 13.906 4.643 1.00 3.06 C ATOM 229 CD PRO A 17 1.025 12.780 3.694 1.00 2.21 C ATOM 0 HA PRO A 17 0.497 15.450 2.322 1.00 1.98 H new ATOM 0 HB2 PRO A 17 3.117 14.786 3.778 1.00 2.91 H new ATOM 0 HB3 PRO A 17 1.896 15.947 4.260 1.00 2.91 H new ATOM 0 HG2 PRO A 17 2.017 13.555 5.443 1.00 3.06 H new ATOM 0 HG3 PRO A 17 0.465 14.301 5.115 1.00 3.06 H new ATOM 0 HD2 PRO A 17 1.727 11.952 3.789 1.00 2.21 H new ATOM 0 HD3 PRO A 17 0.031 12.379 3.890 1.00 2.21 H new ATOM 237 N PRO A 18 2.444 16.692 1.217 1.00 2.10 N ATOM 238 CA PRO A 18 3.309 17.321 0.208 1.00 2.55 C ATOM 239 C PRO A 18 4.771 16.894 0.331 1.00 2.46 C ATOM 240 O PRO A 18 5.284 16.174 -0.528 1.00 2.98 O ATOM 241 CB PRO A 18 3.160 18.821 0.485 1.00 3.33 C ATOM 242 CG PRO A 18 1.862 18.952 1.204 1.00 3.40 C ATOM 243 CD PRO A 18 1.712 17.695 2.012 1.00 2.76 C ATOM 0 HA PRO A 18 3.020 17.032 -0.802 1.00 2.55 H new ATOM 0 HB2 PRO A 18 3.986 19.195 1.090 1.00 3.33 H new ATOM 0 HB3 PRO A 18 3.158 19.395 -0.441 1.00 3.33 H new ATOM 0 HG2 PRO A 18 1.858 19.832 1.847 1.00 3.40 H new ATOM 0 HG3 PRO A 18 1.036 19.066 0.502 1.00 3.40 H new ATOM 0 HD2 PRO A 18 2.136 17.805 3.010 1.00 2.76 H new ATOM 0 HD3 PRO A 18 0.665 17.421 2.139 1.00 2.76 H new ATOM 251 N GLY A 19 5.442 17.337 1.396 1.00 2.33 N ATOM 252 CA GLY A 19 6.841 16.978 1.592 1.00 2.55 C ATOM 253 C GLY A 19 7.076 15.493 1.396 1.00 2.13 C ATOM 254 O GLY A 19 7.611 15.071 0.372 1.00 2.21 O ATOM 0 H GLY A 19 5.045 17.934 2.122 1.00 2.33 H new ATOM 0 HA2 GLY A 19 7.461 17.539 0.893 1.00 2.55 H new ATOM 0 HA3 GLY A 19 7.152 17.265 2.596 1.00 2.55 H new ATOM 258 N GLU A 20 6.641 14.702 2.368 1.00 2.23 N ATOM 259 CA GLU A 20 6.766 13.263 2.297 1.00 1.98 C ATOM 260 C GLU A 20 5.683 12.730 1.362 1.00 1.93 C ATOM 261 O GLU A 20 4.499 12.945 1.611 1.00 2.60 O ATOM 262 CB GLU A 20 6.644 12.679 3.713 1.00 2.70 C ATOM 263 CG GLU A 20 5.610 11.583 3.847 1.00 3.40 C ATOM 264 CD GLU A 20 5.865 10.672 5.031 1.00 4.06 C ATOM 265 OE1 GLU A 20 6.910 10.840 5.697 1.00 4.58 O ATOM 266 OE2 GLU A 20 5.022 9.790 5.294 1.00 4.42 O ATOM 0 H GLU A 20 6.195 15.043 3.220 1.00 2.23 H new ATOM 0 HA GLU A 20 7.737 12.968 1.899 1.00 1.98 H new ATOM 0 HB2 GLU A 20 7.614 12.286 4.016 1.00 2.70 H new ATOM 0 HB3 GLU A 20 6.396 13.484 4.405 1.00 2.70 H new ATOM 0 HG2 GLU A 20 4.622 12.033 3.947 1.00 3.40 H new ATOM 0 HG3 GLU A 20 5.598 10.988 2.934 1.00 3.40 H new ATOM 273 N ASN A 21 6.078 12.071 0.275 1.00 1.63 N ATOM 274 CA ASN A 21 5.091 11.570 -0.677 1.00 2.24 C ATOM 275 C ASN A 21 5.469 10.223 -1.299 1.00 1.93 C ATOM 276 O ASN A 21 4.809 9.782 -2.240 1.00 2.55 O ATOM 277 CB ASN A 21 4.869 12.603 -1.785 1.00 3.07 C ATOM 278 CG ASN A 21 3.468 13.183 -1.762 1.00 4.04 C ATOM 279 OD1 ASN A 21 2.482 12.455 -1.646 1.00 4.71 O ATOM 280 ND2 ASN A 21 3.375 14.503 -1.875 1.00 4.42 N ATOM 0 H ASN A 21 7.050 11.875 0.035 1.00 1.63 H new ATOM 0 HA ASN A 21 4.173 11.407 -0.113 1.00 2.24 H new ATOM 0 HB2 ASN A 21 5.595 13.409 -1.677 1.00 3.07 H new ATOM 0 HB3 ASN A 21 5.051 12.138 -2.754 1.00 3.07 H new ATOM 0 HD21 ASN A 21 2.459 14.952 -1.868 1.00 4.42 H new ATOM 0 HD22 ASN A 21 4.219 15.068 -1.969 1.00 4.42 H new ATOM 287 N LEU A 22 6.499 9.553 -0.785 1.00 1.21 N ATOM 288 CA LEU A 22 6.863 8.252 -1.347 1.00 1.01 C ATOM 289 C LEU A 22 6.097 7.142 -0.658 1.00 0.79 C ATOM 290 O LEU A 22 5.471 7.356 0.379 1.00 1.02 O ATOM 291 CB LEU A 22 8.365 7.956 -1.294 1.00 1.12 C ATOM 292 CG LEU A 22 9.213 8.762 -0.323 1.00 1.11 C ATOM 293 CD1 LEU A 22 9.329 8.026 1.002 1.00 1.62 C ATOM 294 CD2 LEU A 22 10.585 8.987 -0.940 1.00 1.15 C ATOM 0 H LEU A 22 7.078 9.873 -0.009 1.00 1.21 H new ATOM 0 HA LEU A 22 6.590 8.297 -2.401 1.00 1.01 H new ATOM 0 HB2 LEU A 22 8.490 6.901 -1.051 1.00 1.12 H new ATOM 0 HB3 LEU A 22 8.771 8.103 -2.295 1.00 1.12 H new ATOM 0 HG LEU A 22 8.744 9.727 -0.131 1.00 1.11 H new ATOM 0 HD11 LEU A 22 9.938 8.611 1.691 1.00 1.62 H new ATOM 0 HD12 LEU A 22 8.336 7.884 1.427 1.00 1.62 H new ATOM 0 HD13 LEU A 22 9.797 7.055 0.839 1.00 1.62 H new ATOM 0 HD21 LEU A 22 11.203 9.565 -0.252 1.00 1.15 H new ATOM 0 HD22 LEU A 22 11.059 8.025 -1.133 1.00 1.15 H new ATOM 0 HD23 LEU A 22 10.477 9.533 -1.877 1.00 1.15 H new ATOM 306 N CYS A 23 6.134 5.956 -1.250 1.00 0.61 N ATOM 307 CA CYS A 23 5.418 4.817 -0.691 1.00 0.58 C ATOM 308 C CYS A 23 6.356 3.654 -0.396 1.00 0.64 C ATOM 309 O CYS A 23 6.980 3.100 -1.302 1.00 0.85 O ATOM 310 CB CYS A 23 4.312 4.376 -1.649 1.00 0.74 C ATOM 311 SG CYS A 23 2.663 5.033 -1.236 1.00 1.06 S ATOM 0 H CYS A 23 6.647 5.758 -2.109 1.00 0.61 H new ATOM 0 HA CYS A 23 4.974 5.130 0.254 1.00 0.58 H new ATOM 0 HB2 CYS A 23 4.574 4.691 -2.659 1.00 0.74 H new ATOM 0 HB3 CYS A 23 4.266 3.287 -1.657 1.00 0.74 H new ATOM 316 N TYR A 24 6.452 3.291 0.879 1.00 0.67 N ATOM 317 CA TYR A 24 7.308 2.206 1.303 1.00 0.80 C ATOM 318 C TYR A 24 6.548 0.884 1.348 1.00 0.77 C ATOM 319 O TYR A 24 5.318 0.860 1.325 1.00 1.20 O ATOM 320 CB TYR A 24 7.877 2.517 2.682 1.00 0.96 C ATOM 321 CG TYR A 24 6.835 2.598 3.773 1.00 0.91 C ATOM 322 CD1 TYR A 24 6.450 1.461 4.471 1.00 1.30 C ATOM 323 CD2 TYR A 24 6.237 3.808 4.105 1.00 1.64 C ATOM 324 CE1 TYR A 24 5.501 1.527 5.473 1.00 1.43 C ATOM 325 CE2 TYR A 24 5.288 3.881 5.106 1.00 1.74 C ATOM 326 CZ TYR A 24 4.922 2.738 5.786 1.00 1.22 C ATOM 327 OH TYR A 24 3.975 2.806 6.786 1.00 1.48 O ATOM 0 H TYR A 24 5.940 3.742 1.637 1.00 0.67 H new ATOM 0 HA TYR A 24 8.117 2.107 0.579 1.00 0.80 H new ATOM 0 HB2 TYR A 24 8.605 1.749 2.945 1.00 0.96 H new ATOM 0 HB3 TYR A 24 8.415 3.464 2.637 1.00 0.96 H new ATOM 0 HD1 TYR A 24 6.900 0.510 4.227 1.00 1.30 H new ATOM 0 HD2 TYR A 24 6.519 4.704 3.572 1.00 1.64 H new ATOM 0 HE1 TYR A 24 5.214 0.634 6.008 1.00 1.43 H new ATOM 0 HE2 TYR A 24 4.834 4.829 5.355 1.00 1.74 H new ATOM 0 HH TYR A 24 3.667 3.731 6.882 1.00 1.48 H new ATOM 337 N ARG A 25 7.294 -0.209 1.429 1.00 0.98 N ATOM 338 CA ARG A 25 6.705 -1.539 1.494 1.00 0.97 C ATOM 339 C ARG A 25 7.419 -2.381 2.545 1.00 1.00 C ATOM 340 O ARG A 25 8.445 -3.000 2.263 1.00 1.24 O ATOM 341 CB ARG A 25 6.783 -2.226 0.128 1.00 1.18 C ATOM 342 CG ARG A 25 6.211 -3.635 0.122 1.00 1.73 C ATOM 343 CD ARG A 25 6.755 -4.456 -1.038 1.00 2.06 C ATOM 344 NE ARG A 25 5.737 -4.703 -2.056 1.00 2.58 N ATOM 345 CZ ARG A 25 5.991 -5.259 -3.239 1.00 2.95 C ATOM 346 NH1 ARG A 25 7.226 -5.629 -3.553 1.00 2.99 N ATOM 347 NH2 ARG A 25 5.008 -5.444 -4.108 1.00 3.73 N ATOM 0 H ARG A 25 8.314 -0.200 1.451 1.00 0.98 H new ATOM 0 HA ARG A 25 5.656 -1.439 1.775 1.00 0.97 H new ATOM 0 HB2 ARG A 25 6.247 -1.622 -0.604 1.00 1.18 H new ATOM 0 HB3 ARG A 25 7.824 -2.264 -0.191 1.00 1.18 H new ATOM 0 HG2 ARG A 25 6.452 -4.130 1.063 1.00 1.73 H new ATOM 0 HG3 ARG A 25 5.124 -3.587 0.056 1.00 1.73 H new ATOM 0 HD2 ARG A 25 7.599 -3.933 -1.488 1.00 2.06 H new ATOM 0 HD3 ARG A 25 7.132 -5.408 -0.664 1.00 2.06 H new ATOM 0 HE ARG A 25 4.775 -4.434 -1.849 1.00 2.58 H new ATOM 0 HH11 ARG A 25 7.986 -5.488 -2.887 1.00 2.99 H new ATOM 0 HH12 ARG A 25 7.416 -6.055 -4.460 1.00 2.99 H new ATOM 0 HH21 ARG A 25 4.057 -5.161 -3.871 1.00 3.73 H new ATOM 0 HH22 ARG A 25 5.202 -5.870 -5.014 1.00 3.73 H new ATOM 361 N LYS A 26 6.875 -2.395 3.756 1.00 0.97 N ATOM 362 CA LYS A 26 7.473 -3.162 4.844 1.00 1.17 C ATOM 363 C LYS A 26 7.127 -4.640 4.708 1.00 0.97 C ATOM 364 O LYS A 26 5.963 -5.021 4.816 1.00 1.08 O ATOM 365 CB LYS A 26 6.991 -2.627 6.194 1.00 1.51 C ATOM 366 CG LYS A 26 8.091 -1.983 7.021 1.00 1.81 C ATOM 367 CD LYS A 26 7.537 -0.905 7.935 1.00 2.60 C ATOM 368 CE LYS A 26 7.185 -1.464 9.305 1.00 3.26 C ATOM 369 NZ LYS A 26 5.756 -1.871 9.387 1.00 4.09 N ATOM 0 H LYS A 26 6.027 -1.888 4.009 1.00 0.97 H new ATOM 0 HA LYS A 26 8.556 -3.054 4.790 1.00 1.17 H new ATOM 0 HB2 LYS A 26 6.200 -1.896 6.024 1.00 1.51 H new ATOM 0 HB3 LYS A 26 6.551 -3.446 6.764 1.00 1.51 H new ATOM 0 HG2 LYS A 26 8.594 -2.745 7.617 1.00 1.81 H new ATOM 0 HG3 LYS A 26 8.841 -1.551 6.358 1.00 1.81 H new ATOM 0 HD2 LYS A 26 8.271 -0.106 8.044 1.00 2.60 H new ATOM 0 HD3 LYS A 26 6.650 -0.463 7.482 1.00 2.60 H new ATOM 0 HE2 LYS A 26 7.820 -2.323 9.521 1.00 3.26 H new ATOM 0 HE3 LYS A 26 7.393 -0.714 10.068 1.00 3.26 H new ATOM 0 HZ1 LYS A 26 5.599 -2.413 10.260 1.00 4.09 H new ATOM 0 HZ2 LYS A 26 5.153 -1.023 9.393 1.00 4.09 H new ATOM 0 HZ3 LYS A 26 5.515 -2.461 8.565 1.00 4.09 H new ATOM 383 N MET A 27 8.135 -5.473 4.462 1.00 0.81 N ATOM 384 CA MET A 27 7.896 -6.905 4.301 1.00 0.72 C ATOM 385 C MET A 27 8.829 -7.737 5.171 1.00 0.71 C ATOM 386 O MET A 27 10.022 -7.455 5.269 1.00 0.78 O ATOM 387 CB MET A 27 8.051 -7.319 2.836 1.00 0.82 C ATOM 388 CG MET A 27 8.956 -6.406 2.027 1.00 1.28 C ATOM 389 SD MET A 27 10.707 -6.721 2.321 1.00 1.82 S ATOM 390 CE MET A 27 11.346 -6.672 0.648 1.00 2.26 C ATOM 0 H MET A 27 9.110 -5.188 4.371 1.00 0.81 H new ATOM 0 HA MET A 27 6.872 -7.096 4.623 1.00 0.72 H new ATOM 0 HB2 MET A 27 8.447 -8.334 2.796 1.00 0.82 H new ATOM 0 HB3 MET A 27 7.066 -7.343 2.370 1.00 0.82 H new ATOM 0 HG2 MET A 27 8.741 -6.536 0.966 1.00 1.28 H new ATOM 0 HG3 MET A 27 8.732 -5.368 2.273 1.00 1.28 H new ATOM 0 HE1 MET A 27 11.773 -7.642 0.393 1.00 2.26 H new ATOM 0 HE2 MET A 27 10.537 -6.439 -0.044 1.00 2.26 H new ATOM 0 HE3 MET A 27 12.118 -5.906 0.576 1.00 2.26 H new ATOM 400 N TRP A 28 8.276 -8.786 5.781 1.00 0.72 N ATOM 401 CA TRP A 28 9.065 -9.689 6.617 1.00 0.84 C ATOM 402 C TRP A 28 9.420 -10.946 5.835 1.00 1.01 C ATOM 403 O TRP A 28 10.014 -11.882 6.372 1.00 1.86 O ATOM 404 CB TRP A 28 8.332 -10.114 7.904 1.00 1.06 C ATOM 405 CG TRP A 28 7.289 -9.168 8.428 1.00 0.93 C ATOM 406 CD1 TRP A 28 6.126 -9.512 9.057 1.00 1.03 C ATOM 407 CD2 TRP A 28 7.318 -7.743 8.399 1.00 0.99 C ATOM 408 NE1 TRP A 28 5.432 -8.383 9.416 1.00 1.13 N ATOM 409 CE2 TRP A 28 6.145 -7.283 9.021 1.00 1.13 C ATOM 410 CE3 TRP A 28 8.219 -6.819 7.904 1.00 1.14 C ATOM 411 CZ2 TRP A 28 5.858 -5.927 9.158 1.00 1.39 C ATOM 412 CZ3 TRP A 28 7.939 -5.470 8.038 1.00 1.40 C ATOM 413 CH2 TRP A 28 6.767 -5.037 8.662 1.00 1.51 C ATOM 0 H TRP A 28 7.288 -9.030 5.712 1.00 0.72 H new ATOM 0 HA TRP A 28 9.960 -9.136 6.903 1.00 0.84 H new ATOM 0 HB2 TRP A 28 7.857 -11.078 7.723 1.00 1.06 H new ATOM 0 HB3 TRP A 28 9.076 -10.267 8.685 1.00 1.06 H new ATOM 0 HD1 TRP A 28 5.800 -10.524 9.245 1.00 1.03 H new ATOM 0 HE1 TRP A 28 4.533 -8.367 9.898 1.00 1.13 H new ATOM 0 HE3 TRP A 28 9.128 -7.145 7.420 1.00 1.14 H new ATOM 0 HZ2 TRP A 28 4.951 -5.592 9.638 1.00 1.39 H new ATOM 0 HZ3 TRP A 28 8.638 -4.741 7.654 1.00 1.40 H new ATOM 0 HH2 TRP A 28 6.576 -3.978 8.754 1.00 1.51 H new ATOM 424 N CYS A 29 9.039 -10.963 4.568 1.00 0.78 N ATOM 425 CA CYS A 29 9.296 -12.103 3.702 1.00 1.08 C ATOM 426 C CYS A 29 9.710 -11.641 2.310 1.00 1.23 C ATOM 427 O CYS A 29 10.873 -11.759 1.923 1.00 1.76 O ATOM 428 CB CYS A 29 8.048 -12.985 3.609 1.00 1.22 C ATOM 429 SG CYS A 29 8.341 -14.739 4.010 1.00 2.01 S ATOM 0 H CYS A 29 8.547 -10.194 4.113 1.00 0.78 H new ATOM 0 HA CYS A 29 10.113 -12.683 4.132 1.00 1.08 H new ATOM 0 HB2 CYS A 29 7.288 -12.592 4.284 1.00 1.22 H new ATOM 0 HB3 CYS A 29 7.643 -12.917 2.599 1.00 1.22 H new ATOM 434 N ASP A 30 8.746 -11.115 1.564 1.00 1.09 N ATOM 435 CA ASP A 30 8.999 -10.631 0.212 1.00 1.49 C ATOM 436 C ASP A 30 9.769 -11.664 -0.606 1.00 1.84 C ATOM 437 O ASP A 30 10.696 -11.328 -1.341 1.00 2.08 O ATOM 438 CB ASP A 30 9.774 -9.313 0.262 1.00 1.82 C ATOM 439 CG ASP A 30 9.586 -8.484 -0.995 1.00 2.16 C ATOM 440 OD1 ASP A 30 8.423 -8.246 -1.383 1.00 2.17 O ATOM 441 OD2 ASP A 30 10.605 -8.074 -1.592 1.00 2.87 O ATOM 0 H ASP A 30 7.779 -11.013 1.873 1.00 1.09 H new ATOM 0 HA ASP A 30 8.038 -10.462 -0.274 1.00 1.49 H new ATOM 0 HB2 ASP A 30 9.448 -8.735 1.127 1.00 1.82 H new ATOM 0 HB3 ASP A 30 10.835 -9.523 0.400 1.00 1.82 H new ATOM 446 N ALA A 31 9.371 -12.924 -0.468 1.00 2.10 N ATOM 447 CA ALA A 31 10.014 -14.014 -1.188 1.00 2.57 C ATOM 448 C ALA A 31 9.298 -15.336 -0.929 1.00 2.31 C ATOM 449 O ALA A 31 9.871 -16.261 -0.353 1.00 2.80 O ATOM 450 CB ALA A 31 11.480 -14.114 -0.791 1.00 3.06 C ATOM 0 H ALA A 31 8.604 -13.215 0.138 1.00 2.10 H new ATOM 0 HA ALA A 31 9.954 -13.802 -2.256 1.00 2.57 H new ATOM 0 HB1 ALA A 31 11.950 -14.933 -1.336 1.00 3.06 H new ATOM 0 HB2 ALA A 31 11.987 -13.180 -1.032 1.00 3.06 H new ATOM 0 HB3 ALA A 31 11.555 -14.301 0.280 1.00 3.06 H new ATOM 456 N PHE A 32 8.042 -15.416 -1.359 1.00 2.03 N ATOM 457 CA PHE A 32 7.245 -16.626 -1.176 1.00 2.15 C ATOM 458 C PHE A 32 7.042 -16.924 0.308 1.00 1.81 C ATOM 459 O PHE A 32 7.900 -17.530 0.951 1.00 2.10 O ATOM 460 CB PHE A 32 7.924 -17.812 -1.874 1.00 2.88 C ATOM 461 CG PHE A 32 7.352 -19.154 -1.505 1.00 3.55 C ATOM 462 CD1 PHE A 32 6.113 -19.549 -1.983 1.00 4.39 C ATOM 463 CD2 PHE A 32 8.057 -20.019 -0.685 1.00 3.90 C ATOM 464 CE1 PHE A 32 5.588 -20.783 -1.647 1.00 5.34 C ATOM 465 CE2 PHE A 32 7.537 -21.254 -0.346 1.00 4.89 C ATOM 466 CZ PHE A 32 6.301 -21.637 -0.829 1.00 5.54 C ATOM 0 H PHE A 32 7.554 -14.658 -1.836 1.00 2.03 H new ATOM 0 HA PHE A 32 6.265 -16.466 -1.625 1.00 2.15 H new ATOM 0 HB2 PHE A 32 7.843 -17.679 -2.953 1.00 2.88 H new ATOM 0 HB3 PHE A 32 8.986 -17.803 -1.631 1.00 2.88 H new ATOM 0 HD1 PHE A 32 5.552 -18.886 -2.625 1.00 4.39 H new ATOM 0 HD2 PHE A 32 9.025 -19.725 -0.306 1.00 3.90 H new ATOM 0 HE1 PHE A 32 4.620 -21.079 -2.024 1.00 5.34 H new ATOM 0 HE2 PHE A 32 8.096 -21.919 0.296 1.00 4.89 H new ATOM 0 HZ PHE A 32 5.893 -22.602 -0.568 1.00 5.54 H new ATOM 476 N CYS A 33 5.900 -16.502 0.844 1.00 1.48 N ATOM 477 CA CYS A 33 5.585 -16.732 2.251 1.00 1.52 C ATOM 478 C CYS A 33 4.258 -17.470 2.412 1.00 1.57 C ATOM 479 O CYS A 33 3.749 -17.617 3.524 1.00 2.29 O ATOM 480 CB CYS A 33 5.549 -15.407 3.017 1.00 1.89 C ATOM 481 SG CYS A 33 6.510 -15.419 4.566 1.00 2.00 S ATOM 0 H CYS A 33 5.179 -16.000 0.327 1.00 1.48 H new ATOM 0 HA CYS A 33 6.373 -17.360 2.667 1.00 1.52 H new ATOM 0 HB2 CYS A 33 5.930 -14.616 2.371 1.00 1.89 H new ATOM 0 HB3 CYS A 33 4.512 -15.160 3.247 1.00 1.89 H new ATOM 486 N SER A 34 3.718 -17.947 1.297 1.00 1.46 N ATOM 487 CA SER A 34 2.459 -18.691 1.294 1.00 1.71 C ATOM 488 C SER A 34 1.318 -17.904 1.941 1.00 1.29 C ATOM 489 O SER A 34 1.413 -17.481 3.093 1.00 1.73 O ATOM 490 CB SER A 34 2.639 -20.028 2.015 1.00 2.39 C ATOM 491 OG SER A 34 3.044 -21.044 1.115 1.00 3.26 O ATOM 0 H SER A 34 4.135 -17.831 0.373 1.00 1.46 H new ATOM 0 HA SER A 34 2.189 -18.864 0.252 1.00 1.71 H new ATOM 0 HB2 SER A 34 3.382 -19.921 2.805 1.00 2.39 H new ATOM 0 HB3 SER A 34 1.703 -20.315 2.494 1.00 2.39 H new ATOM 0 HG SER A 34 3.154 -21.888 1.602 1.00 3.26 H new ATOM 497 N SER A 35 0.229 -17.735 1.194 1.00 1.18 N ATOM 498 CA SER A 35 -0.948 -17.023 1.688 1.00 1.15 C ATOM 499 C SER A 35 -0.687 -15.528 1.829 1.00 1.15 C ATOM 500 O SER A 35 0.299 -15.112 2.439 1.00 1.62 O ATOM 501 CB SER A 35 -1.395 -17.600 3.035 1.00 1.44 C ATOM 502 OG SER A 35 -2.809 -17.619 3.138 1.00 1.93 O ATOM 0 H SER A 35 0.137 -18.083 0.240 1.00 1.18 H new ATOM 0 HA SER A 35 -1.742 -17.159 0.953 1.00 1.15 H new ATOM 0 HB2 SER A 35 -1.005 -18.612 3.148 1.00 1.44 H new ATOM 0 HB3 SER A 35 -0.976 -17.005 3.846 1.00 1.44 H new ATOM 0 HG SER A 35 -3.085 -18.367 3.708 1.00 1.93 H new ATOM 508 N ARG A 36 -1.588 -14.727 1.267 1.00 1.06 N ATOM 509 CA ARG A 36 -1.482 -13.270 1.326 1.00 1.09 C ATOM 510 C ARG A 36 -0.056 -12.802 1.038 1.00 1.13 C ATOM 511 O ARG A 36 0.445 -11.892 1.697 1.00 1.71 O ATOM 512 CB ARG A 36 -1.931 -12.764 2.702 1.00 1.10 C ATOM 513 CG ARG A 36 -3.113 -11.800 2.666 1.00 0.90 C ATOM 514 CD ARG A 36 -4.281 -12.372 1.861 1.00 1.67 C ATOM 515 NE ARG A 36 -4.216 -13.827 1.707 1.00 2.63 N ATOM 516 CZ ARG A 36 -4.751 -14.491 0.682 1.00 3.41 C ATOM 517 NH1 ARG A 36 -5.404 -13.840 -0.273 1.00 3.43 N ATOM 518 NH2 ARG A 36 -4.638 -15.809 0.618 1.00 4.49 N ATOM 0 H ARG A 36 -2.407 -15.065 0.761 1.00 1.06 H new ATOM 0 HA ARG A 36 -2.135 -12.856 0.557 1.00 1.09 H new ATOM 0 HB2 ARG A 36 -2.196 -13.621 3.322 1.00 1.10 H new ATOM 0 HB3 ARG A 36 -1.089 -12.269 3.186 1.00 1.10 H new ATOM 0 HG2 ARG A 36 -3.441 -11.587 3.683 1.00 0.90 H new ATOM 0 HG3 ARG A 36 -2.798 -10.853 2.228 1.00 0.90 H new ATOM 0 HD2 ARG A 36 -5.217 -12.106 2.352 1.00 1.67 H new ATOM 0 HD3 ARG A 36 -4.296 -11.909 0.874 1.00 1.67 H new ATOM 0 HE ARG A 36 -3.733 -14.364 2.427 1.00 2.63 H new ATOM 0 HH11 ARG A 36 -5.499 -12.826 -0.225 1.00 3.43 H new ATOM 0 HH12 ARG A 36 -5.811 -14.354 -1.054 1.00 3.43 H new ATOM 0 HH21 ARG A 36 -4.142 -16.315 1.352 1.00 4.49 H new ATOM 0 HH22 ARG A 36 -5.047 -16.318 -0.165 1.00 4.49 H new ATOM 532 N GLY A 37 0.592 -13.427 0.053 1.00 0.96 N ATOM 533 CA GLY A 37 1.956 -13.053 -0.305 1.00 1.04 C ATOM 534 C GLY A 37 2.819 -12.740 0.904 1.00 1.12 C ATOM 535 O GLY A 37 3.423 -13.639 1.491 1.00 1.71 O ATOM 0 H GLY A 37 0.198 -14.185 -0.504 1.00 0.96 H new ATOM 0 HA2 GLY A 37 2.413 -13.864 -0.871 1.00 1.04 H new ATOM 0 HA3 GLY A 37 1.929 -12.183 -0.961 1.00 1.04 H new ATOM 539 N LYS A 38 2.865 -11.465 1.286 1.00 1.05 N ATOM 540 CA LYS A 38 3.647 -11.047 2.441 1.00 1.17 C ATOM 541 C LYS A 38 2.966 -9.915 3.201 1.00 1.21 C ATOM 542 O LYS A 38 1.987 -9.326 2.745 1.00 2.19 O ATOM 543 CB LYS A 38 5.051 -10.592 2.029 1.00 1.41 C ATOM 544 CG LYS A 38 5.051 -9.353 1.147 1.00 2.21 C ATOM 545 CD LYS A 38 5.770 -9.595 -0.169 1.00 2.86 C ATOM 546 CE LYS A 38 4.950 -9.105 -1.353 1.00 3.70 C ATOM 547 NZ LYS A 38 5.015 -10.049 -2.504 1.00 4.40 N ATOM 0 H LYS A 38 2.371 -10.708 0.813 1.00 1.05 H new ATOM 0 HA LYS A 38 3.725 -11.917 3.093 1.00 1.17 H new ATOM 0 HB2 LYS A 38 5.637 -10.390 2.926 1.00 1.41 H new ATOM 0 HB3 LYS A 38 5.548 -11.405 1.500 1.00 1.41 H new ATOM 0 HG2 LYS A 38 4.023 -9.048 0.949 1.00 2.21 H new ATOM 0 HG3 LYS A 38 5.531 -8.530 1.677 1.00 2.21 H new ATOM 0 HD2 LYS A 38 6.733 -9.085 -0.157 1.00 2.86 H new ATOM 0 HD3 LYS A 38 5.974 -10.660 -0.283 1.00 2.86 H new ATOM 0 HE2 LYS A 38 3.912 -8.977 -1.047 1.00 3.70 H new ATOM 0 HE3 LYS A 38 5.313 -8.126 -1.666 1.00 3.70 H new ATOM 0 HZ1 LYS A 38 4.443 -9.678 -3.290 1.00 4.40 H new ATOM 0 HZ2 LYS A 38 6.003 -10.152 -2.813 1.00 4.40 H new ATOM 0 HZ3 LYS A 38 4.645 -10.976 -2.214 1.00 4.40 H new ATOM 561 N VAL A 39 3.524 -9.626 4.363 1.00 0.75 N ATOM 562 CA VAL A 39 3.047 -8.564 5.247 1.00 0.72 C ATOM 563 C VAL A 39 2.886 -7.243 4.499 1.00 0.79 C ATOM 564 O VAL A 39 1.869 -6.563 4.637 1.00 1.70 O ATOM 565 CB VAL A 39 4.029 -8.397 6.436 1.00 0.80 C ATOM 566 CG1 VAL A 39 5.431 -8.741 6.011 1.00 0.78 C ATOM 567 CG2 VAL A 39 3.996 -7.003 7.026 1.00 0.95 C ATOM 0 H VAL A 39 4.334 -10.127 4.729 1.00 0.75 H new ATOM 0 HA VAL A 39 2.065 -8.848 5.625 1.00 0.72 H new ATOM 0 HB VAL A 39 3.702 -9.087 7.214 1.00 0.80 H new ATOM 0 HG11 VAL A 39 6.108 -8.619 6.857 1.00 0.78 H new ATOM 0 HG12 VAL A 39 5.464 -9.775 5.667 1.00 0.78 H new ATOM 0 HG13 VAL A 39 5.739 -8.079 5.201 1.00 0.78 H new ATOM 0 HG21 VAL A 39 4.702 -6.942 7.854 1.00 0.95 H new ATOM 0 HG22 VAL A 39 4.271 -6.277 6.261 1.00 0.95 H new ATOM 0 HG23 VAL A 39 2.991 -6.785 7.389 1.00 0.95 H new ATOM 577 N VAL A 40 3.899 -6.891 3.719 1.00 0.89 N ATOM 578 CA VAL A 40 3.910 -5.649 2.941 1.00 0.85 C ATOM 579 C VAL A 40 3.126 -4.525 3.602 1.00 0.98 C ATOM 580 O VAL A 40 2.134 -4.040 3.057 1.00 1.50 O ATOM 581 CB VAL A 40 3.376 -5.838 1.513 1.00 0.85 C ATOM 582 CG1 VAL A 40 4.492 -6.295 0.597 1.00 0.85 C ATOM 583 CG2 VAL A 40 2.205 -6.810 1.483 1.00 1.30 C ATOM 0 H VAL A 40 4.740 -7.456 3.604 1.00 0.89 H new ATOM 0 HA VAL A 40 4.962 -5.369 2.898 1.00 0.85 H new ATOM 0 HB VAL A 40 3.006 -4.878 1.155 1.00 0.85 H new ATOM 0 HG11 VAL A 40 4.103 -6.426 -0.413 1.00 0.85 H new ATOM 0 HG12 VAL A 40 5.284 -5.546 0.587 1.00 0.85 H new ATOM 0 HG13 VAL A 40 4.893 -7.242 0.957 1.00 0.85 H new ATOM 0 HG21 VAL A 40 1.851 -6.921 0.458 1.00 1.30 H new ATOM 0 HG22 VAL A 40 2.527 -7.780 1.863 1.00 1.30 H new ATOM 0 HG23 VAL A 40 1.397 -6.426 2.106 1.00 1.30 H new ATOM 593 N GLU A 41 3.595 -4.089 4.757 1.00 1.20 N ATOM 594 CA GLU A 41 2.956 -2.991 5.459 1.00 1.47 C ATOM 595 C GLU A 41 3.147 -1.717 4.654 1.00 1.04 C ATOM 596 O GLU A 41 4.064 -0.935 4.907 1.00 1.45 O ATOM 597 CB GLU A 41 3.541 -2.815 6.855 1.00 1.99 C ATOM 598 CG GLU A 41 2.940 -3.750 7.892 1.00 2.53 C ATOM 599 CD GLU A 41 1.674 -3.193 8.512 1.00 3.25 C ATOM 600 OE1 GLU A 41 0.691 -2.985 7.771 1.00 3.85 O ATOM 601 OE2 GLU A 41 1.665 -2.965 9.740 1.00 3.63 O ATOM 0 H GLU A 41 4.413 -4.477 5.227 1.00 1.20 H new ATOM 0 HA GLU A 41 1.894 -3.212 5.568 1.00 1.47 H new ATOM 0 HB2 GLU A 41 4.618 -2.979 6.811 1.00 1.99 H new ATOM 0 HB3 GLU A 41 3.388 -1.785 7.176 1.00 1.99 H new ATOM 0 HG2 GLU A 41 2.720 -4.711 7.426 1.00 2.53 H new ATOM 0 HG3 GLU A 41 3.673 -3.936 8.677 1.00 2.53 H new ATOM 608 N LEU A 42 2.298 -1.546 3.654 1.00 0.67 N ATOM 609 CA LEU A 42 2.376 -0.395 2.766 1.00 1.06 C ATOM 610 C LEU A 42 1.888 0.889 3.430 1.00 0.83 C ATOM 611 O LEU A 42 0.824 0.932 4.044 1.00 1.09 O ATOM 612 CB LEU A 42 1.568 -0.655 1.494 1.00 1.92 C ATOM 613 CG LEU A 42 0.092 -0.982 1.723 1.00 2.75 C ATOM 614 CD1 LEU A 42 -0.778 -0.297 0.681 1.00 3.67 C ATOM 615 CD2 LEU A 42 -0.127 -2.488 1.704 1.00 3.27 C ATOM 0 H LEU A 42 1.541 -2.194 3.435 1.00 0.67 H new ATOM 0 HA LEU A 42 3.428 -0.256 2.517 1.00 1.06 H new ATOM 0 HB2 LEU A 42 1.635 0.224 0.853 1.00 1.92 H new ATOM 0 HB3 LEU A 42 2.028 -1.481 0.952 1.00 1.92 H new ATOM 0 HG LEU A 42 -0.197 -0.606 2.704 1.00 2.75 H new ATOM 0 HD11 LEU A 42 -1.824 -0.543 0.862 1.00 3.67 H new ATOM 0 HD12 LEU A 42 -0.642 0.783 0.746 1.00 3.67 H new ATOM 0 HD13 LEU A 42 -0.492 -0.639 -0.314 1.00 3.67 H new ATOM 0 HD21 LEU A 42 -1.183 -2.704 1.868 1.00 3.27 H new ATOM 0 HD22 LEU A 42 0.179 -2.888 0.737 1.00 3.27 H new ATOM 0 HD23 LEU A 42 0.465 -2.952 2.493 1.00 3.27 H new ATOM 627 N GLY A 43 2.685 1.938 3.267 1.00 0.70 N ATOM 628 CA GLY A 43 2.373 3.239 3.802 1.00 0.68 C ATOM 629 C GLY A 43 3.096 4.305 3.011 1.00 0.67 C ATOM 630 O GLY A 43 3.407 4.101 1.836 1.00 0.87 O ATOM 0 H GLY A 43 3.567 1.900 2.757 1.00 0.70 H new ATOM 0 HA2 GLY A 43 1.297 3.410 3.762 1.00 0.68 H new ATOM 0 HA3 GLY A 43 2.665 3.291 4.851 1.00 0.68 H new ATOM 634 N CYS A 44 3.393 5.429 3.637 1.00 0.62 N ATOM 635 CA CYS A 44 4.110 6.495 2.941 1.00 0.67 C ATOM 636 C CYS A 44 5.140 7.159 3.848 1.00 0.76 C ATOM 637 O CYS A 44 4.929 7.311 5.052 1.00 0.97 O ATOM 638 CB CYS A 44 3.124 7.513 2.353 1.00 0.87 C ATOM 639 SG CYS A 44 2.737 8.941 3.417 1.00 1.28 S ATOM 0 H CYS A 44 3.156 5.631 4.608 1.00 0.62 H new ATOM 0 HA CYS A 44 4.661 6.050 2.113 1.00 0.67 H new ATOM 0 HB2 CYS A 44 3.530 7.884 1.412 1.00 0.87 H new ATOM 0 HB3 CYS A 44 2.194 6.996 2.117 1.00 0.87 H new ATOM 644 N ALA A 45 6.264 7.534 3.248 1.00 0.73 N ATOM 645 CA ALA A 45 7.361 8.166 3.981 1.00 0.93 C ATOM 646 C ALA A 45 7.905 9.390 3.245 1.00 0.87 C ATOM 647 O ALA A 45 7.360 9.809 2.224 1.00 0.86 O ATOM 648 CB ALA A 45 8.474 7.158 4.220 1.00 1.14 C ATOM 0 H ALA A 45 6.442 7.412 2.251 1.00 0.73 H new ATOM 0 HA ALA A 45 6.969 8.507 4.939 1.00 0.93 H new ATOM 0 HB1 ALA A 45 9.287 7.636 4.766 1.00 1.14 H new ATOM 0 HB2 ALA A 45 8.088 6.321 4.803 1.00 1.14 H new ATOM 0 HB3 ALA A 45 8.846 6.793 3.263 1.00 1.14 H new ATOM 654 N ALA A 46 8.985 9.960 3.780 1.00 1.03 N ATOM 655 CA ALA A 46 9.609 11.139 3.185 1.00 1.10 C ATOM 656 C ALA A 46 10.848 10.772 2.379 1.00 1.00 C ATOM 657 O ALA A 46 11.160 11.414 1.375 1.00 1.04 O ATOM 658 CB ALA A 46 9.972 12.145 4.268 1.00 1.43 C ATOM 0 H ALA A 46 9.445 9.623 4.625 1.00 1.03 H new ATOM 0 HA ALA A 46 8.886 11.587 2.503 1.00 1.10 H new ATOM 0 HB1 ALA A 46 10.436 13.019 3.812 1.00 1.43 H new ATOM 0 HB2 ALA A 46 9.070 12.449 4.799 1.00 1.43 H new ATOM 0 HB3 ALA A 46 10.670 11.688 4.970 1.00 1.43 H new ATOM 664 N THR A 47 11.555 9.741 2.824 1.00 1.08 N ATOM 665 CA THR A 47 12.766 9.295 2.142 1.00 1.13 C ATOM 666 C THR A 47 12.851 7.774 2.120 1.00 1.23 C ATOM 667 O THR A 47 12.113 7.092 2.832 1.00 1.75 O ATOM 668 CB THR A 47 14.005 9.879 2.824 1.00 1.32 C ATOM 669 OG1 THR A 47 13.663 11.007 3.610 1.00 1.83 O ATOM 670 CG2 THR A 47 15.080 10.310 1.848 1.00 1.85 C ATOM 0 H THR A 47 11.312 9.198 3.653 1.00 1.08 H new ATOM 0 HA THR A 47 12.725 9.651 1.113 1.00 1.13 H new ATOM 0 HB THR A 47 14.399 9.072 3.442 1.00 1.32 H new ATOM 0 HG1 THR A 47 14.469 11.364 4.038 1.00 1.83 H new ATOM 0 HG21 THR A 47 15.930 10.715 2.398 1.00 1.85 H new ATOM 0 HG22 THR A 47 15.404 9.451 1.261 1.00 1.85 H new ATOM 0 HG23 THR A 47 14.681 11.075 1.182 1.00 1.85 H new ATOM 678 N CYS A 48 13.756 7.246 1.301 1.00 1.40 N ATOM 679 CA CYS A 48 13.932 5.804 1.194 1.00 1.65 C ATOM 680 C CYS A 48 15.090 5.448 0.265 1.00 1.43 C ATOM 681 O CYS A 48 14.884 5.162 -0.914 1.00 1.73 O ATOM 682 CB CYS A 48 12.648 5.151 0.687 1.00 2.35 C ATOM 683 SG CYS A 48 12.552 3.363 1.010 1.00 2.33 S ATOM 0 H CYS A 48 14.376 7.794 0.704 1.00 1.40 H new ATOM 0 HA CYS A 48 14.165 5.426 2.189 1.00 1.65 H new ATOM 0 HB2 CYS A 48 11.794 5.641 1.154 1.00 2.35 H new ATOM 0 HB3 CYS A 48 12.565 5.321 -0.386 1.00 2.35 H new ATOM 688 N PRO A 49 16.329 5.460 0.790 1.00 1.66 N ATOM 689 CA PRO A 49 17.526 5.130 0.008 1.00 2.03 C ATOM 690 C PRO A 49 17.396 3.787 -0.707 1.00 1.93 C ATOM 691 O PRO A 49 16.299 3.247 -0.848 1.00 2.63 O ATOM 692 CB PRO A 49 18.635 5.063 1.059 1.00 2.86 C ATOM 693 CG PRO A 49 18.154 5.919 2.180 1.00 3.04 C ATOM 694 CD PRO A 49 16.655 5.796 2.187 1.00 2.28 C ATOM 0 HA PRO A 49 17.710 5.861 -0.779 1.00 2.03 H new ATOM 0 HB2 PRO A 49 18.805 4.038 1.389 1.00 2.86 H new ATOM 0 HB3 PRO A 49 19.580 5.430 0.659 1.00 2.86 H new ATOM 0 HG2 PRO A 49 18.576 5.591 3.130 1.00 3.04 H new ATOM 0 HG3 PRO A 49 18.459 6.956 2.037 1.00 3.04 H new ATOM 0 HD2 PRO A 49 16.320 5.020 2.875 1.00 2.28 H new ATOM 0 HD3 PRO A 49 16.178 6.725 2.498 1.00 2.28 H new ATOM 702 N SER A 50 18.524 3.248 -1.159 1.00 1.76 N ATOM 703 CA SER A 50 18.527 1.969 -1.861 1.00 2.00 C ATOM 704 C SER A 50 19.713 1.105 -1.439 1.00 1.81 C ATOM 705 O SER A 50 20.866 1.528 -1.533 1.00 1.83 O ATOM 706 CB SER A 50 18.562 2.197 -3.372 1.00 2.73 C ATOM 707 OG SER A 50 19.785 2.796 -3.768 1.00 3.18 O ATOM 0 H SER A 50 19.444 3.675 -1.052 1.00 1.76 H new ATOM 0 HA SER A 50 17.611 1.441 -1.596 1.00 2.00 H new ATOM 0 HB2 SER A 50 18.434 1.246 -3.890 1.00 2.73 H new ATOM 0 HB3 SER A 50 17.729 2.835 -3.666 1.00 2.73 H new ATOM 0 HG SER A 50 20.473 2.612 -3.094 1.00 3.18 H new ATOM 713 N LYS A 51 19.422 -0.108 -0.981 1.00 2.00 N ATOM 714 CA LYS A 51 20.460 -1.037 -0.552 1.00 2.22 C ATOM 715 C LYS A 51 20.019 -2.477 -0.803 1.00 2.20 C ATOM 716 O LYS A 51 19.101 -2.723 -1.587 1.00 2.41 O ATOM 717 CB LYS A 51 20.774 -0.829 0.933 1.00 2.64 C ATOM 718 CG LYS A 51 22.254 -0.932 1.264 1.00 2.64 C ATOM 719 CD LYS A 51 22.647 0.030 2.375 1.00 3.16 C ATOM 720 CE LYS A 51 23.509 1.170 1.855 1.00 3.17 C ATOM 721 NZ LYS A 51 24.865 1.166 2.470 1.00 3.40 N ATOM 0 H LYS A 51 18.473 -0.471 -0.897 1.00 2.00 H new ATOM 0 HA LYS A 51 21.363 -0.844 -1.131 1.00 2.22 H new ATOM 0 HB2 LYS A 51 20.410 0.152 1.239 1.00 2.64 H new ATOM 0 HB3 LYS A 51 20.227 -1.569 1.518 1.00 2.64 H new ATOM 0 HG2 LYS A 51 22.490 -1.953 1.565 1.00 2.64 H new ATOM 0 HG3 LYS A 51 22.843 -0.719 0.372 1.00 2.64 H new ATOM 0 HD2 LYS A 51 21.748 0.436 2.839 1.00 3.16 H new ATOM 0 HD3 LYS A 51 23.189 -0.512 3.150 1.00 3.16 H new ATOM 0 HE2 LYS A 51 23.601 1.090 0.772 1.00 3.17 H new ATOM 0 HE3 LYS A 51 23.018 2.121 2.064 1.00 3.17 H new ATOM 0 HZ1 LYS A 51 25.421 1.958 2.089 1.00 3.40 H new ATOM 0 HZ2 LYS A 51 24.779 1.268 3.501 1.00 3.40 H new ATOM 0 HZ3 LYS A 51 25.344 0.269 2.249 1.00 3.40 H new ATOM 735 N LYS A 52 20.666 -3.424 -0.133 1.00 2.49 N ATOM 736 CA LYS A 52 20.324 -4.832 -0.285 1.00 2.62 C ATOM 737 C LYS A 52 19.769 -5.397 1.019 1.00 2.34 C ATOM 738 O LYS A 52 20.385 -6.266 1.639 1.00 2.60 O ATOM 739 CB LYS A 52 21.551 -5.638 -0.719 1.00 3.22 C ATOM 740 CG LYS A 52 22.820 -5.263 0.029 1.00 3.27 C ATOM 741 CD LYS A 52 23.629 -6.493 0.412 1.00 3.32 C ATOM 742 CE LYS A 52 24.815 -6.695 -0.518 1.00 3.49 C ATOM 743 NZ LYS A 52 25.028 -8.132 -0.843 1.00 3.70 N ATOM 0 H LYS A 52 21.429 -3.242 0.519 1.00 2.49 H new ATOM 0 HA LYS A 52 19.557 -4.911 -1.055 1.00 2.62 H new ATOM 0 HB2 LYS A 52 21.350 -6.699 -0.569 1.00 3.22 H new ATOM 0 HB3 LYS A 52 21.712 -5.492 -1.787 1.00 3.22 H new ATOM 0 HG2 LYS A 52 23.428 -4.606 -0.592 1.00 3.27 H new ATOM 0 HG3 LYS A 52 22.561 -4.703 0.928 1.00 3.27 H new ATOM 0 HD2 LYS A 52 23.983 -6.391 1.438 1.00 3.32 H new ATOM 0 HD3 LYS A 52 22.988 -7.374 0.382 1.00 3.32 H new ATOM 0 HE2 LYS A 52 24.654 -6.135 -1.439 1.00 3.49 H new ATOM 0 HE3 LYS A 52 25.714 -6.291 -0.053 1.00 3.49 H new ATOM 0 HZ1 LYS A 52 25.845 -8.227 -1.479 1.00 3.70 H new ATOM 0 HZ2 LYS A 52 25.207 -8.663 0.033 1.00 3.70 H new ATOM 0 HZ3 LYS A 52 24.180 -8.512 -1.310 1.00 3.70 H new ATOM 757 N PRO A 53 18.598 -4.909 1.461 1.00 1.90 N ATOM 758 CA PRO A 53 17.980 -5.376 2.700 1.00 1.72 C ATOM 759 C PRO A 53 17.345 -6.746 2.561 1.00 1.80 C ATOM 760 O PRO A 53 16.314 -6.888 1.904 1.00 2.40 O ATOM 761 CB PRO A 53 16.882 -4.351 2.972 1.00 1.32 C ATOM 762 CG PRO A 53 16.532 -3.803 1.631 1.00 1.43 C ATOM 763 CD PRO A 53 17.788 -3.867 0.797 1.00 1.73 C ATOM 0 HA PRO A 53 18.724 -5.467 3.492 1.00 1.72 H new ATOM 0 HB2 PRO A 53 16.018 -4.814 3.448 1.00 1.32 H new ATOM 0 HB3 PRO A 53 17.232 -3.565 3.642 1.00 1.32 H new ATOM 0 HG2 PRO A 53 15.732 -4.384 1.172 1.00 1.43 H new ATOM 0 HG3 PRO A 53 16.174 -2.777 1.713 1.00 1.43 H new ATOM 0 HD2 PRO A 53 17.568 -4.130 -0.238 1.00 1.73 H new ATOM 0 HD3 PRO A 53 18.306 -2.908 0.779 1.00 1.73 H new ATOM 771 N TYR A 54 17.920 -7.747 3.220 1.00 1.65 N ATOM 772 CA TYR A 54 17.332 -9.078 3.184 1.00 1.79 C ATOM 773 C TYR A 54 15.868 -8.956 3.595 1.00 1.31 C ATOM 774 O TYR A 54 15.012 -9.716 3.148 1.00 1.54 O ATOM 775 CB TYR A 54 18.080 -10.028 4.119 1.00 2.24 C ATOM 776 CG TYR A 54 19.246 -10.729 3.457 1.00 2.75 C ATOM 777 CD1 TYR A 54 20.227 -10.008 2.789 1.00 3.48 C ATOM 778 CD2 TYR A 54 19.363 -12.113 3.498 1.00 3.03 C ATOM 779 CE1 TYR A 54 21.292 -10.644 2.181 1.00 4.17 C ATOM 780 CE2 TYR A 54 20.426 -12.757 2.893 1.00 3.63 C ATOM 781 CZ TYR A 54 21.387 -12.020 2.236 1.00 4.11 C ATOM 782 OH TYR A 54 22.447 -12.657 1.633 1.00 4.87 O ATOM 0 H TYR A 54 18.773 -7.665 3.773 1.00 1.65 H new ATOM 0 HA TYR A 54 17.406 -9.492 2.178 1.00 1.79 H new ATOM 0 HB2 TYR A 54 18.444 -9.467 4.980 1.00 2.24 H new ATOM 0 HB3 TYR A 54 17.384 -10.776 4.498 1.00 2.24 H new ATOM 0 HD1 TYR A 54 20.156 -8.931 2.744 1.00 3.48 H new ATOM 0 HD2 TYR A 54 18.611 -12.695 4.011 1.00 3.03 H new ATOM 0 HE1 TYR A 54 22.046 -10.068 1.665 1.00 4.17 H new ATOM 0 HE2 TYR A 54 20.503 -13.833 2.935 1.00 3.63 H new ATOM 0 HH TYR A 54 22.365 -13.625 1.765 1.00 4.87 H new ATOM 792 N GLU A 55 15.607 -7.943 4.428 1.00 1.05 N ATOM 793 CA GLU A 55 14.272 -7.626 4.904 1.00 1.20 C ATOM 794 C GLU A 55 14.279 -6.243 5.547 1.00 1.91 C ATOM 795 O GLU A 55 14.887 -6.040 6.598 1.00 2.79 O ATOM 796 CB GLU A 55 13.778 -8.673 5.910 1.00 1.54 C ATOM 797 CG GLU A 55 13.341 -9.990 5.281 1.00 1.94 C ATOM 798 CD GLU A 55 12.468 -9.800 4.054 1.00 2.50 C ATOM 799 OE1 GLU A 55 11.577 -8.927 4.089 1.00 2.88 O ATOM 800 OE2 GLU A 55 12.679 -10.524 3.059 1.00 3.22 O ATOM 0 H GLU A 55 16.329 -7.319 4.789 1.00 1.05 H new ATOM 0 HA GLU A 55 13.590 -7.633 4.054 1.00 1.20 H new ATOM 0 HB2 GLU A 55 14.573 -8.873 6.628 1.00 1.54 H new ATOM 0 HB3 GLU A 55 12.941 -8.256 6.469 1.00 1.54 H new ATOM 0 HG2 GLU A 55 14.225 -10.566 5.006 1.00 1.94 H new ATOM 0 HG3 GLU A 55 12.796 -10.576 6.021 1.00 1.94 H new ATOM 807 N GLU A 56 13.613 -5.290 4.900 1.00 1.72 N ATOM 808 CA GLU A 56 13.560 -3.924 5.401 1.00 2.56 C ATOM 809 C GLU A 56 12.494 -3.125 4.655 1.00 2.26 C ATOM 810 O GLU A 56 11.478 -3.684 4.243 1.00 2.25 O ATOM 811 CB GLU A 56 14.935 -3.263 5.258 1.00 3.34 C ATOM 812 CG GLU A 56 15.292 -2.342 6.413 1.00 4.41 C ATOM 813 CD GLU A 56 16.760 -2.414 6.784 1.00 5.26 C ATOM 814 OE1 GLU A 56 17.608 -2.202 5.892 1.00 5.66 O ATOM 815 OE2 GLU A 56 17.063 -2.686 7.965 1.00 5.85 O ATOM 0 H GLU A 56 13.104 -5.441 4.029 1.00 1.72 H new ATOM 0 HA GLU A 56 13.291 -3.943 6.457 1.00 2.56 H new ATOM 0 HB2 GLU A 56 15.695 -4.040 5.176 1.00 3.34 H new ATOM 0 HB3 GLU A 56 14.960 -2.693 4.329 1.00 3.34 H new ATOM 0 HG2 GLU A 56 15.038 -1.316 6.146 1.00 4.41 H new ATOM 0 HG3 GLU A 56 14.688 -2.604 7.282 1.00 4.41 H new ATOM 822 N VAL A 57 12.712 -1.822 4.487 1.00 2.15 N ATOM 823 CA VAL A 57 11.737 -0.989 3.796 1.00 1.91 C ATOM 824 C VAL A 57 12.183 -0.637 2.382 1.00 1.97 C ATOM 825 O VAL A 57 13.230 -0.021 2.177 1.00 2.25 O ATOM 826 CB VAL A 57 11.456 0.321 4.553 1.00 1.88 C ATOM 827 CG1 VAL A 57 10.223 1.016 3.982 1.00 1.65 C ATOM 828 CG2 VAL A 57 11.295 0.061 6.044 1.00 1.99 C ATOM 0 H VAL A 57 13.542 -1.329 4.815 1.00 2.15 H new ATOM 0 HA VAL A 57 10.826 -1.586 3.751 1.00 1.91 H new ATOM 0 HB VAL A 57 12.311 0.984 4.420 1.00 1.88 H new ATOM 0 HG11 VAL A 57 10.040 1.940 4.530 1.00 1.65 H new ATOM 0 HG12 VAL A 57 10.389 1.245 2.929 1.00 1.65 H new ATOM 0 HG13 VAL A 57 9.358 0.360 4.078 1.00 1.65 H new ATOM 0 HG21 VAL A 57 11.097 1.002 6.558 1.00 1.99 H new ATOM 0 HG22 VAL A 57 10.462 -0.623 6.206 1.00 1.99 H new ATOM 0 HG23 VAL A 57 12.210 -0.382 6.437 1.00 1.99 H new ATOM 838 N THR A 58 11.352 -1.002 1.420 1.00 1.79 N ATOM 839 CA THR A 58 11.603 -0.706 0.015 1.00 1.93 C ATOM 840 C THR A 58 10.555 0.290 -0.457 1.00 1.67 C ATOM 841 O THR A 58 9.366 0.104 -0.195 1.00 1.86 O ATOM 842 CB THR A 58 11.547 -1.981 -0.829 1.00 2.13 C ATOM 843 OG1 THR A 58 11.829 -1.697 -2.187 1.00 2.55 O ATOM 844 CG2 THR A 58 10.204 -2.675 -0.773 1.00 2.45 C ATOM 0 H THR A 58 10.485 -1.511 1.588 1.00 1.79 H new ATOM 0 HA THR A 58 12.601 -0.282 -0.098 1.00 1.93 H new ATOM 0 HB THR A 58 12.299 -2.644 -0.402 1.00 2.13 H new ATOM 0 HG1 THR A 58 11.790 -2.525 -2.709 1.00 2.55 H new ATOM 0 HG21 THR A 58 10.232 -3.571 -1.393 1.00 2.45 H new ATOM 0 HG22 THR A 58 9.981 -2.953 0.257 1.00 2.45 H new ATOM 0 HG23 THR A 58 9.431 -2.002 -1.143 1.00 2.45 H new ATOM 852 N CYS A 59 10.978 1.369 -1.108 1.00 1.38 N ATOM 853 CA CYS A 59 10.018 2.382 -1.537 1.00 1.19 C ATOM 854 C CYS A 59 10.371 3.003 -2.885 1.00 1.17 C ATOM 855 O CYS A 59 11.178 2.472 -3.647 1.00 1.36 O ATOM 856 CB CYS A 59 9.910 3.482 -0.471 1.00 1.33 C ATOM 857 SG CYS A 59 10.560 3.018 1.169 1.00 1.84 S ATOM 0 H CYS A 59 11.951 1.563 -1.345 1.00 1.38 H new ATOM 0 HA CYS A 59 9.059 1.879 -1.659 1.00 1.19 H new ATOM 0 HB2 CYS A 59 10.445 4.364 -0.823 1.00 1.33 H new ATOM 0 HB3 CYS A 59 8.863 3.765 -0.365 1.00 1.33 H new ATOM 862 N CYS A 60 9.739 4.143 -3.155 1.00 1.01 N ATOM 863 CA CYS A 60 9.941 4.886 -4.385 1.00 1.07 C ATOM 864 C CYS A 60 9.648 6.357 -4.123 1.00 1.14 C ATOM 865 O CYS A 60 8.604 6.687 -3.551 1.00 1.00 O ATOM 866 CB CYS A 60 9.030 4.348 -5.493 1.00 1.19 C ATOM 867 SG CYS A 60 9.237 2.567 -5.831 1.00 1.42 S ATOM 0 H CYS A 60 9.069 4.575 -2.519 1.00 1.01 H new ATOM 0 HA CYS A 60 10.973 4.771 -4.715 1.00 1.07 H new ATOM 0 HB2 CYS A 60 7.992 4.536 -5.218 1.00 1.19 H new ATOM 0 HB3 CYS A 60 9.223 4.905 -6.410 1.00 1.19 H new ATOM 872 N SER A 61 10.597 7.215 -4.519 1.00 1.70 N ATOM 873 CA SER A 61 10.522 8.672 -4.325 1.00 2.09 C ATOM 874 C SER A 61 9.105 9.214 -4.238 1.00 1.80 C ATOM 875 O SER A 61 8.829 10.145 -3.483 1.00 2.46 O ATOM 876 CB SER A 61 11.282 9.392 -5.441 1.00 2.87 C ATOM 877 OG SER A 61 12.611 8.911 -5.544 1.00 3.66 O ATOM 0 H SER A 61 11.451 6.914 -4.990 1.00 1.70 H new ATOM 0 HA SER A 61 10.985 8.868 -3.358 1.00 2.09 H new ATOM 0 HB2 SER A 61 10.765 9.248 -6.390 1.00 2.87 H new ATOM 0 HB3 SER A 61 11.294 10.464 -5.244 1.00 2.87 H new ATOM 0 HG SER A 61 13.076 9.385 -6.265 1.00 3.66 H new ATOM 883 N THR A 62 8.227 8.625 -5.003 1.00 1.31 N ATOM 884 CA THR A 62 6.833 9.018 -5.035 1.00 1.51 C ATOM 885 C THR A 62 6.042 8.089 -5.942 1.00 1.26 C ATOM 886 O THR A 62 6.589 7.510 -6.882 1.00 2.01 O ATOM 887 CB THR A 62 6.695 10.462 -5.517 1.00 2.19 C ATOM 888 OG1 THR A 62 7.730 10.795 -6.426 1.00 2.67 O ATOM 889 CG2 THR A 62 6.722 11.471 -4.392 1.00 3.16 C ATOM 0 H THR A 62 8.454 7.852 -5.629 1.00 1.31 H new ATOM 0 HA THR A 62 6.433 8.947 -4.023 1.00 1.51 H new ATOM 0 HB THR A 62 5.721 10.511 -6.003 1.00 2.19 H new ATOM 0 HG1 THR A 62 7.620 11.723 -6.722 1.00 2.67 H new ATOM 0 HG21 THR A 62 6.620 12.476 -4.802 1.00 3.16 H new ATOM 0 HG22 THR A 62 5.898 11.273 -3.706 1.00 3.16 H new ATOM 0 HG23 THR A 62 7.668 11.393 -3.856 1.00 3.16 H new ATOM 897 N ASP A 63 4.752 7.965 -5.646 1.00 0.98 N ATOM 898 CA ASP A 63 3.824 7.122 -6.409 1.00 1.03 C ATOM 899 C ASP A 63 3.447 5.876 -5.646 1.00 1.09 C ATOM 900 O ASP A 63 4.223 5.371 -4.838 1.00 1.53 O ATOM 901 CB ASP A 63 4.385 6.739 -7.784 1.00 1.26 C ATOM 902 CG ASP A 63 3.318 6.190 -8.710 1.00 1.85 C ATOM 903 OD1 ASP A 63 2.979 4.995 -8.581 1.00 2.65 O ATOM 904 OD2 ASP A 63 2.822 6.954 -9.563 1.00 2.27 O ATOM 0 H ASP A 63 4.313 8.449 -4.863 1.00 0.98 H new ATOM 0 HA ASP A 63 2.927 7.722 -6.564 1.00 1.03 H new ATOM 0 HB2 ASP A 63 4.845 7.614 -8.243 1.00 1.26 H new ATOM 0 HB3 ASP A 63 5.171 5.995 -7.658 1.00 1.26 H new ATOM 909 N LYS A 64 2.235 5.396 -5.920 1.00 0.91 N ATOM 910 CA LYS A 64 1.702 4.197 -5.287 1.00 0.94 C ATOM 911 C LYS A 64 2.624 3.010 -5.540 1.00 0.87 C ATOM 912 O LYS A 64 2.234 2.021 -6.161 1.00 0.95 O ATOM 913 CB LYS A 64 0.302 3.896 -5.827 1.00 1.12 C ATOM 914 CG LYS A 64 0.260 3.720 -7.337 1.00 1.23 C ATOM 915 CD LYS A 64 -0.661 4.734 -7.995 1.00 1.47 C ATOM 916 CE LYS A 64 -1.194 4.221 -9.323 1.00 1.90 C ATOM 917 NZ LYS A 64 -2.229 5.127 -9.893 1.00 2.24 N ATOM 0 H LYS A 64 1.597 5.829 -6.588 1.00 0.91 H new ATOM 0 HA LYS A 64 1.639 4.369 -4.212 1.00 0.94 H new ATOM 0 HB2 LYS A 64 -0.075 2.990 -5.353 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -0.370 4.707 -5.545 1.00 1.12 H new ATOM 0 HG2 LYS A 64 1.266 3.824 -7.744 1.00 1.23 H new ATOM 0 HG3 LYS A 64 -0.078 2.712 -7.577 1.00 1.23 H new ATOM 0 HD2 LYS A 64 -1.494 4.957 -7.329 1.00 1.47 H new ATOM 0 HD3 LYS A 64 -0.122 5.668 -8.154 1.00 1.47 H new ATOM 0 HE2 LYS A 64 -0.371 4.120 -10.030 1.00 1.90 H new ATOM 0 HE3 LYS A 64 -1.619 3.227 -9.184 1.00 1.90 H new ATOM 0 HZ1 LYS A 64 -2.567 4.742 -10.798 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -3.027 5.204 -9.230 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -1.817 6.069 -10.050 1.00 2.24 H new ATOM 931 N CYS A 65 3.855 3.138 -5.075 1.00 0.85 N ATOM 932 CA CYS A 65 4.871 2.104 -5.252 1.00 0.94 C ATOM 933 C CYS A 65 4.851 1.069 -4.121 1.00 0.97 C ATOM 934 O CYS A 65 5.714 0.196 -4.068 1.00 1.23 O ATOM 935 CB CYS A 65 6.253 2.758 -5.319 1.00 1.08 C ATOM 936 SG CYS A 65 7.408 1.969 -6.485 1.00 1.24 S ATOM 0 H CYS A 65 4.182 3.958 -4.565 1.00 0.85 H new ATOM 0 HA CYS A 65 4.649 1.579 -6.181 1.00 0.94 H new ATOM 0 HB2 CYS A 65 6.132 3.804 -5.599 1.00 1.08 H new ATOM 0 HB3 CYS A 65 6.696 2.744 -4.323 1.00 1.08 H new ATOM 941 N ASN A 66 3.886 1.176 -3.206 1.00 0.87 N ATOM 942 CA ASN A 66 3.809 0.244 -2.080 1.00 1.05 C ATOM 943 C ASN A 66 2.726 -0.845 -2.218 1.00 0.85 C ATOM 944 O ASN A 66 2.550 -1.644 -1.298 1.00 1.10 O ATOM 945 CB ASN A 66 3.584 1.019 -0.781 1.00 1.49 C ATOM 946 CG ASN A 66 2.352 1.900 -0.845 1.00 1.47 C ATOM 947 OD1 ASN A 66 1.689 1.982 -1.877 1.00 2.23 O ATOM 948 ND2 ASN A 66 2.045 2.568 0.262 1.00 1.38 N ATOM 0 H ASN A 66 3.156 1.888 -3.221 1.00 0.87 H new ATOM 0 HA ASN A 66 4.765 -0.280 -2.069 1.00 1.05 H new ATOM 0 HB2 ASN A 66 3.483 0.316 0.046 1.00 1.49 H new ATOM 0 HB3 ASN A 66 4.458 1.635 -0.571 1.00 1.49 H new ATOM 0 HD21 ASN A 66 1.229 3.180 0.279 1.00 1.38 H new ATOM 0 HD22 ASN A 66 2.625 2.469 1.095 1.00 1.38 H new ATOM 955 N PRO A 67 1.978 -0.907 -3.335 1.00 0.82 N ATOM 956 CA PRO A 67 0.933 -1.910 -3.518 1.00 1.02 C ATOM 957 C PRO A 67 1.449 -3.207 -4.135 1.00 1.06 C ATOM 958 O PRO A 67 2.657 -3.426 -4.232 1.00 1.88 O ATOM 959 CB PRO A 67 -0.028 -1.213 -4.470 1.00 1.34 C ATOM 960 CG PRO A 67 0.841 -0.340 -5.314 1.00 1.49 C ATOM 961 CD PRO A 67 2.070 -0.013 -4.496 1.00 1.08 C ATOM 0 HA PRO A 67 0.491 -2.219 -2.571 1.00 1.02 H new ATOM 0 HB2 PRO A 67 -0.575 -1.933 -5.078 1.00 1.34 H new ATOM 0 HB3 PRO A 67 -0.769 -0.627 -3.926 1.00 1.34 H new ATOM 0 HG2 PRO A 67 1.117 -0.849 -6.238 1.00 1.49 H new ATOM 0 HG3 PRO A 67 0.313 0.571 -5.597 1.00 1.49 H new ATOM 0 HD2 PRO A 67 2.984 -0.189 -5.063 1.00 1.08 H new ATOM 0 HD3 PRO A 67 2.080 1.034 -4.193 1.00 1.08 H new ATOM 969 N HIS A 68 0.519 -4.064 -4.549 1.00 1.03 N ATOM 970 CA HIS A 68 0.863 -5.344 -5.159 1.00 1.25 C ATOM 971 C HIS A 68 0.660 -5.299 -6.675 1.00 1.62 C ATOM 972 O HIS A 68 -0.312 -4.720 -7.158 1.00 1.90 O ATOM 973 CB HIS A 68 0.005 -6.460 -4.556 1.00 1.49 C ATOM 974 CG HIS A 68 0.665 -7.189 -3.427 1.00 1.35 C ATOM 975 ND1 HIS A 68 1.436 -8.318 -3.608 1.00 2.01 N ATOM 976 CD2 HIS A 68 0.661 -6.950 -2.093 1.00 1.43 C ATOM 977 CE1 HIS A 68 1.875 -8.743 -2.438 1.00 2.50 C ATOM 978 NE2 HIS A 68 1.419 -7.930 -1.502 1.00 2.11 N ATOM 0 H HIS A 68 -0.484 -3.893 -4.472 1.00 1.03 H new ATOM 0 HA HIS A 68 1.915 -5.546 -4.956 1.00 1.25 H new ATOM 0 HB2 HIS A 68 -0.933 -6.033 -4.201 1.00 1.49 H new ATOM 0 HB3 HIS A 68 -0.247 -7.175 -5.339 1.00 1.49 H new ATOM 0 HD1 HIS A 68 1.636 -8.757 -4.507 1.00 2.01 H new ATOM 0 HD2 HIS A 68 0.156 -6.140 -1.589 1.00 1.43 H new ATOM 0 HE1 HIS A 68 2.500 -9.608 -2.274 1.00 2.50 H new ATOM 987 N PRO A 69 1.575 -5.914 -7.445 1.00 2.33 N ATOM 988 CA PRO A 69 1.483 -5.937 -8.908 1.00 2.85 C ATOM 989 C PRO A 69 0.463 -6.957 -9.407 1.00 2.45 C ATOM 990 O PRO A 69 0.803 -8.106 -9.683 1.00 3.04 O ATOM 991 CB PRO A 69 2.892 -6.342 -9.336 1.00 4.03 C ATOM 992 CG PRO A 69 3.395 -7.184 -8.214 1.00 4.23 C ATOM 993 CD PRO A 69 2.770 -6.633 -6.959 1.00 3.14 C ATOM 0 HA PRO A 69 1.153 -4.981 -9.315 1.00 2.85 H new ATOM 0 HB2 PRO A 69 2.878 -6.898 -10.274 1.00 4.03 H new ATOM 0 HB3 PRO A 69 3.526 -5.469 -9.492 1.00 4.03 H new ATOM 0 HG2 PRO A 69 3.121 -8.229 -8.359 1.00 4.23 H new ATOM 0 HG3 PRO A 69 4.483 -7.145 -8.156 1.00 4.23 H new ATOM 0 HD2 PRO A 69 2.503 -7.428 -6.263 1.00 3.14 H new ATOM 0 HD3 PRO A 69 3.452 -5.965 -6.433 1.00 3.14 H new ATOM 1001 N LYS A 70 -0.791 -6.528 -9.517 1.00 2.14 N ATOM 1002 CA LYS A 70 -1.861 -7.404 -9.982 1.00 2.45 C ATOM 1003 C LYS A 70 -1.749 -7.655 -11.482 1.00 2.26 C ATOM 1004 O LYS A 70 -2.426 -7.010 -12.283 1.00 2.90 O ATOM 1005 CB LYS A 70 -3.227 -6.796 -9.654 1.00 3.14 C ATOM 1006 CG LYS A 70 -3.454 -5.433 -10.290 1.00 3.52 C ATOM 1007 CD LYS A 70 -3.739 -4.368 -9.242 1.00 4.18 C ATOM 1008 CE LYS A 70 -5.016 -4.670 -8.473 1.00 5.07 C ATOM 1009 NZ LYS A 70 -6.232 -4.399 -9.289 1.00 5.76 N ATOM 0 H LYS A 70 -1.091 -5.580 -9.291 1.00 2.14 H new ATOM 0 HA LYS A 70 -1.763 -8.359 -9.465 1.00 2.45 H new ATOM 0 HB2 LYS A 70 -4.009 -7.478 -9.988 1.00 3.14 H new ATOM 0 HB3 LYS A 70 -3.324 -6.704 -8.572 1.00 3.14 H new ATOM 0 HG2 LYS A 70 -2.575 -5.149 -10.868 1.00 3.52 H new ATOM 0 HG3 LYS A 70 -4.289 -5.491 -10.988 1.00 3.52 H new ATOM 0 HD2 LYS A 70 -2.901 -4.306 -8.548 1.00 4.18 H new ATOM 0 HD3 LYS A 70 -3.826 -3.395 -9.725 1.00 4.18 H new ATOM 0 HE2 LYS A 70 -5.014 -5.714 -8.161 1.00 5.07 H new ATOM 0 HE3 LYS A 70 -5.045 -4.066 -7.566 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 -7.081 -4.617 -8.730 1.00 5.76 H new ATOM 0 HZ2 LYS A 70 -6.248 -3.397 -9.566 1.00 5.76 H new ATOM 0 HZ3 LYS A 70 -6.217 -4.994 -10.142 1.00 5.76 H new ATOM 1023 N GLN A 71 -0.891 -8.600 -11.856 1.00 2.06 N ATOM 1024 CA GLN A 71 -0.691 -8.939 -13.260 1.00 2.35 C ATOM 1025 C GLN A 71 -1.994 -9.410 -13.898 1.00 1.83 C ATOM 1026 O GLN A 71 -2.719 -10.223 -13.324 1.00 2.38 O ATOM 1027 CB GLN A 71 0.378 -10.026 -13.394 1.00 3.35 C ATOM 1028 CG GLN A 71 0.111 -11.249 -12.530 1.00 4.20 C ATOM 1029 CD GLN A 71 1.370 -11.793 -11.883 1.00 5.25 C ATOM 1030 OE1 GLN A 71 2.410 -11.134 -11.871 1.00 5.76 O ATOM 1031 NE2 GLN A 71 1.282 -13.001 -11.341 1.00 5.91 N ATOM 0 H GLN A 71 -0.324 -9.144 -11.206 1.00 2.06 H new ATOM 0 HA GLN A 71 -0.357 -8.042 -13.781 1.00 2.35 H new ATOM 0 HB2 GLN A 71 0.442 -10.335 -14.437 1.00 3.35 H new ATOM 0 HB3 GLN A 71 1.347 -9.606 -13.126 1.00 3.35 H new ATOM 0 HG2 GLN A 71 -0.609 -10.990 -11.754 1.00 4.20 H new ATOM 0 HG3 GLN A 71 -0.345 -12.028 -13.141 1.00 4.20 H new ATOM 0 HE21 GLN A 71 0.400 -13.512 -11.374 1.00 5.91 H new ATOM 0 HE22 GLN A 71 2.097 -13.419 -10.891 1.00 5.91 H new ATOM 1040 N ARG A 72 -2.287 -8.893 -15.086 1.00 1.65 N ATOM 1041 CA ARG A 72 -3.506 -9.259 -15.801 1.00 1.72 C ATOM 1042 C ARG A 72 -3.176 -9.841 -17.176 1.00 1.50 C ATOM 1043 O ARG A 72 -2.859 -9.102 -18.108 1.00 1.91 O ATOM 1044 CB ARG A 72 -4.414 -8.038 -15.957 1.00 2.57 C ATOM 1045 CG ARG A 72 -5.745 -8.350 -16.622 1.00 3.12 C ATOM 1046 CD ARG A 72 -6.573 -7.094 -16.839 1.00 3.94 C ATOM 1047 NE ARG A 72 -6.638 -6.718 -18.249 1.00 4.76 N ATOM 1048 CZ ARG A 72 -7.000 -5.511 -18.679 1.00 5.44 C ATOM 1049 NH1 ARG A 72 -7.327 -4.561 -17.812 1.00 5.52 N ATOM 1050 NH2 ARG A 72 -7.034 -5.252 -19.980 1.00 6.38 N ATOM 0 H ARG A 72 -1.698 -8.219 -15.575 1.00 1.65 H new ATOM 0 HA ARG A 72 -4.026 -10.020 -15.219 1.00 1.72 H new ATOM 0 HB2 ARG A 72 -4.601 -7.607 -14.974 1.00 2.57 H new ATOM 0 HB3 ARG A 72 -3.893 -7.281 -16.543 1.00 2.57 H new ATOM 0 HG2 ARG A 72 -5.567 -8.839 -17.580 1.00 3.12 H new ATOM 0 HG3 ARG A 72 -6.305 -9.053 -16.004 1.00 3.12 H new ATOM 0 HD2 ARG A 72 -7.582 -7.255 -16.460 1.00 3.94 H new ATOM 0 HD3 ARG A 72 -6.144 -6.273 -16.264 1.00 3.94 H new ATOM 0 HE ARG A 72 -6.392 -7.422 -18.945 1.00 4.76 H new ATOM 0 HH11 ARG A 72 -7.302 -4.754 -16.811 1.00 5.52 H new ATOM 0 HH12 ARG A 72 -7.604 -3.638 -18.147 1.00 5.52 H new ATOM 0 HH21 ARG A 72 -6.783 -5.978 -20.651 1.00 6.38 H new ATOM 0 HH22 ARG A 72 -7.311 -4.327 -20.309 1.00 6.38 H new ATOM 1064 N PRO A 73 -3.249 -11.177 -17.323 1.00 1.93 N ATOM 1065 CA PRO A 73 -2.955 -11.844 -18.595 1.00 2.42 C ATOM 1066 C PRO A 73 -4.012 -11.560 -19.658 1.00 2.46 C ATOM 1067 O PRO A 73 -5.107 -12.123 -19.626 1.00 2.93 O ATOM 1068 CB PRO A 73 -2.954 -13.330 -18.229 1.00 3.42 C ATOM 1069 CG PRO A 73 -3.823 -13.423 -17.022 1.00 3.69 C ATOM 1070 CD PRO A 73 -3.618 -12.139 -16.267 1.00 2.80 C ATOM 0 HA PRO A 73 -2.016 -11.497 -19.026 1.00 2.42 H new ATOM 0 HB2 PRO A 73 -3.343 -13.939 -19.045 1.00 3.42 H new ATOM 0 HB3 PRO A 73 -1.945 -13.685 -18.019 1.00 3.42 H new ATOM 0 HG2 PRO A 73 -4.869 -13.549 -17.302 1.00 3.69 H new ATOM 0 HG3 PRO A 73 -3.551 -14.283 -16.410 1.00 3.69 H new ATOM 0 HD2 PRO A 73 -4.523 -11.832 -15.742 1.00 2.80 H new ATOM 0 HD3 PRO A 73 -2.832 -12.234 -15.518 1.00 2.80 H new ATOM 1078 N GLY A 74 -3.676 -10.682 -20.597 1.00 2.73 N ATOM 1079 CA GLY A 74 -4.604 -10.338 -21.657 1.00 3.34 C ATOM 1080 C GLY A 74 -3.900 -9.846 -22.907 1.00 3.98 C ATOM 1081 O GLY A 74 -4.409 -10.109 -24.017 1.00 4.37 O ATOM 1082 OXT GLY A 74 -2.840 -9.199 -22.776 1.00 4.56 O ATOM 0 H GLY A 74 -2.777 -10.202 -20.642 1.00 2.73 H new ATOM 0 HA2 GLY A 74 -5.209 -11.211 -21.904 1.00 3.34 H new ATOM 0 HA3 GLY A 74 -5.288 -9.567 -21.301 1.00 3.34 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 -5.735 -13.502 26.495 1.00 3.04 N ATOM 1088 CA ILE B 178 -5.036 -14.814 26.505 1.00 2.43 C ATOM 1089 C ILE B 178 -4.700 -15.286 25.089 1.00 1.75 C ATOM 1090 O ILE B 178 -3.577 -15.714 24.824 1.00 1.94 O ATOM 1091 CB ILE B 178 -5.874 -15.900 27.209 1.00 2.91 C ATOM 1092 CG1 ILE B 178 -6.492 -15.349 28.499 1.00 3.35 C ATOM 1093 CG2 ILE B 178 -5.014 -17.120 27.506 1.00 3.53 C ATOM 1094 CD1 ILE B 178 -7.994 -15.180 28.424 1.00 4.29 C ATOM 0 HA ILE B 178 -4.110 -14.662 27.060 1.00 2.43 H new ATOM 0 HB ILE B 178 -6.683 -16.201 26.544 1.00 2.91 H new ATOM 0 HG12 ILE B 178 -6.250 -16.020 29.324 1.00 3.35 H new ATOM 0 HG13 ILE B 178 -6.037 -14.385 28.728 1.00 3.35 H new ATOM 0 HG21 ILE B 178 -5.618 -17.879 28.003 1.00 3.53 H new ATOM 0 HG22 ILE B 178 -4.620 -17.523 26.573 1.00 3.53 H new ATOM 0 HG23 ILE B 178 -4.187 -16.833 28.155 1.00 3.53 H new ATOM 0 HD11 ILE B 178 -8.364 -14.787 29.371 1.00 4.29 H new ATOM 0 HD12 ILE B 178 -8.242 -14.486 27.621 1.00 4.29 H new ATOM 0 HD13 ILE B 178 -8.459 -16.146 28.226 1.00 4.29 H new ATOM 1108 N PRO B 179 -5.667 -15.218 24.152 1.00 1.95 N ATOM 1109 CA PRO B 179 -5.447 -15.644 22.765 1.00 2.20 C ATOM 1110 C PRO B 179 -4.156 -15.081 22.181 1.00 1.86 C ATOM 1111 O PRO B 179 -3.982 -13.866 22.092 1.00 2.05 O ATOM 1112 CB PRO B 179 -6.660 -15.077 22.028 1.00 3.39 C ATOM 1113 CG PRO B 179 -7.732 -15.021 23.058 1.00 3.73 C ATOM 1114 CD PRO B 179 -7.044 -14.722 24.362 1.00 2.94 C ATOM 0 HA PRO B 179 -5.345 -16.726 22.681 1.00 2.20 H new ATOM 0 HB2 PRO B 179 -6.450 -14.088 21.620 1.00 3.39 H new ATOM 0 HB3 PRO B 179 -6.948 -15.712 21.190 1.00 3.39 H new ATOM 0 HG2 PRO B 179 -8.463 -14.249 22.818 1.00 3.73 H new ATOM 0 HG3 PRO B 179 -8.272 -15.967 23.110 1.00 3.73 H new ATOM 0 HD2 PRO B 179 -7.056 -13.655 24.586 1.00 2.94 H new ATOM 0 HD3 PRO B 179 -7.529 -15.228 25.196 1.00 2.94 H new ATOM 1122 N GLY B 180 -3.252 -15.973 21.791 1.00 2.19 N ATOM 1123 CA GLY B 180 -1.987 -15.545 21.224 1.00 2.27 C ATOM 1124 C GLY B 180 -2.020 -15.467 19.710 1.00 1.83 C ATOM 1125 O GLY B 180 -1.069 -15.870 19.041 1.00 2.29 O ATOM 0 H GLY B 180 -3.373 -16.984 21.857 1.00 2.19 H new ATOM 0 HA2 GLY B 180 -1.725 -14.567 21.628 1.00 2.27 H new ATOM 0 HA3 GLY B 180 -1.203 -16.238 21.531 1.00 2.27 H new ATOM 1129 N LYS B 181 -3.116 -14.944 19.168 1.00 1.82 N ATOM 1130 CA LYS B 181 -3.268 -14.812 17.735 1.00 2.03 C ATOM 1131 C LYS B 181 -3.850 -13.445 17.395 1.00 1.64 C ATOM 1132 O LYS B 181 -3.835 -12.531 18.220 1.00 2.18 O ATOM 1133 CB LYS B 181 -4.174 -15.923 17.190 1.00 3.19 C ATOM 1134 CG LYS B 181 -4.029 -17.249 17.920 1.00 3.92 C ATOM 1135 CD LYS B 181 -2.668 -17.878 17.667 1.00 4.53 C ATOM 1136 CE LYS B 181 -2.731 -18.912 16.556 1.00 5.50 C ATOM 1137 NZ LYS B 181 -1.382 -19.215 16.002 1.00 6.01 N ATOM 0 H LYS B 181 -3.912 -14.605 19.709 1.00 1.82 H new ATOM 0 HA LYS B 181 -2.287 -14.904 17.269 1.00 2.03 H new ATOM 0 HB2 LYS B 181 -5.212 -15.596 17.253 1.00 3.19 H new ATOM 0 HB3 LYS B 181 -3.952 -16.075 16.134 1.00 3.19 H new ATOM 0 HG2 LYS B 181 -4.166 -17.093 18.990 1.00 3.92 H new ATOM 0 HG3 LYS B 181 -4.813 -17.933 17.594 1.00 3.92 H new ATOM 0 HD2 LYS B 181 -1.950 -17.101 17.402 1.00 4.53 H new ATOM 0 HD3 LYS B 181 -2.307 -18.347 18.582 1.00 4.53 H new ATOM 0 HE2 LYS B 181 -3.181 -19.828 16.938 1.00 5.50 H new ATOM 0 HE3 LYS B 181 -3.378 -18.548 15.758 1.00 5.50 H new ATOM 0 HZ1 LYS B 181 -1.457 -19.382 14.978 1.00 6.01 H new ATOM 0 HZ2 LYS B 181 -0.746 -18.411 16.177 1.00 6.01 H new ATOM 0 HZ3 LYS B 181 -1.000 -20.065 16.464 1.00 6.01 H new ATOM 1151 N ARG B 182 -4.367 -13.324 16.179 1.00 1.66 N ATOM 1152 CA ARG B 182 -4.974 -12.083 15.689 1.00 2.06 C ATOM 1153 C ARG B 182 -4.333 -10.842 16.311 1.00 1.96 C ATOM 1154 O ARG B 182 -5.022 -9.886 16.667 1.00 2.87 O ATOM 1155 CB ARG B 182 -6.476 -12.094 15.971 1.00 3.27 C ATOM 1156 CG ARG B 182 -7.293 -12.741 14.866 1.00 4.04 C ATOM 1157 CD ARG B 182 -8.756 -12.875 15.261 1.00 4.81 C ATOM 1158 NE ARG B 182 -9.299 -14.186 14.908 1.00 5.38 N ATOM 1159 CZ ARG B 182 -10.601 -14.441 14.795 1.00 5.95 C ATOM 1160 NH1 ARG B 182 -11.494 -13.482 15.003 1.00 6.10 N ATOM 1161 NH2 ARG B 182 -11.010 -15.661 14.471 1.00 6.67 N ATOM 0 H ARG B 182 -4.379 -14.084 15.499 1.00 1.66 H new ATOM 0 HA ARG B 182 -4.800 -12.034 14.614 1.00 2.06 H new ATOM 0 HB2 ARG B 182 -6.659 -12.624 16.906 1.00 3.27 H new ATOM 0 HB3 ARG B 182 -6.819 -11.069 16.114 1.00 3.27 H new ATOM 0 HG2 ARG B 182 -7.213 -12.145 13.957 1.00 4.04 H new ATOM 0 HG3 ARG B 182 -6.885 -13.726 14.639 1.00 4.04 H new ATOM 0 HD2 ARG B 182 -8.858 -12.717 16.335 1.00 4.81 H new ATOM 0 HD3 ARG B 182 -9.338 -12.096 14.768 1.00 4.81 H new ATOM 0 HE ARG B 182 -8.643 -14.949 14.739 1.00 5.38 H new ATOM 0 HH11 ARG B 182 -11.185 -12.542 15.251 1.00 6.10 H new ATOM 0 HH12 ARG B 182 -12.490 -13.685 14.915 1.00 6.10 H new ATOM 0 HH21 ARG B 182 -10.327 -16.401 14.309 1.00 6.67 H new ATOM 0 HH22 ARG B 182 -12.007 -15.858 14.384 1.00 6.67 H new ATOM 1175 N THR B 183 -3.010 -10.863 16.440 1.00 1.59 N ATOM 1176 CA THR B 183 -2.285 -9.739 17.020 1.00 2.20 C ATOM 1177 C THR B 183 -0.924 -9.559 16.353 1.00 2.09 C ATOM 1178 O THR B 183 0.098 -9.433 17.028 1.00 2.78 O ATOM 1179 CB THR B 183 -2.107 -9.943 18.525 1.00 3.19 C ATOM 1180 OG1 THR B 183 -3.357 -10.161 19.153 1.00 3.61 O ATOM 1181 CG2 THR B 183 -1.445 -8.768 19.212 1.00 4.26 C ATOM 0 H THR B 183 -2.420 -11.644 16.152 1.00 1.59 H new ATOM 0 HA THR B 183 -2.871 -8.836 16.849 1.00 2.20 H new ATOM 0 HB THR B 183 -1.459 -10.814 18.625 1.00 3.19 H new ATOM 0 HG1 THR B 183 -3.677 -11.062 18.940 1.00 3.61 H new ATOM 0 HG21 THR B 183 -1.348 -8.977 20.277 1.00 4.26 H new ATOM 0 HG22 THR B 183 -0.456 -8.606 18.783 1.00 4.26 H new ATOM 0 HG23 THR B 183 -2.053 -7.874 19.071 1.00 4.26 H new ATOM 1189 N GLU B 184 -0.917 -9.541 15.024 1.00 1.92 N ATOM 1190 CA GLU B 184 0.317 -9.369 14.270 1.00 2.53 C ATOM 1191 C GLU B 184 0.276 -8.077 13.456 1.00 1.88 C ATOM 1192 O GLU B 184 0.805 -7.051 13.886 1.00 1.78 O ATOM 1193 CB GLU B 184 0.560 -10.575 13.356 1.00 3.62 C ATOM 1194 CG GLU B 184 1.841 -11.328 13.673 1.00 4.59 C ATOM 1195 CD GLU B 184 1.918 -11.762 15.124 1.00 5.38 C ATOM 1196 OE1 GLU B 184 1.111 -12.625 15.529 1.00 6.05 O ATOM 1197 OE2 GLU B 184 2.784 -11.238 15.855 1.00 5.66 O ATOM 0 H GLU B 184 -1.753 -9.644 14.448 1.00 1.92 H new ATOM 0 HA GLU B 184 1.144 -9.301 14.977 1.00 2.53 H new ATOM 0 HB2 GLU B 184 -0.284 -11.259 13.439 1.00 3.62 H new ATOM 0 HB3 GLU B 184 0.594 -10.235 12.321 1.00 3.62 H new ATOM 0 HG2 GLU B 184 1.910 -12.206 13.031 1.00 4.59 H new ATOM 0 HG3 GLU B 184 2.697 -10.695 13.441 1.00 4.59 H new ATOM 1204 N SER B 185 -0.354 -8.126 12.284 1.00 1.58 N ATOM 1205 CA SER B 185 -0.456 -6.949 11.427 1.00 1.18 C ATOM 1206 C SER B 185 -1.260 -7.277 10.168 1.00 1.01 C ATOM 1207 O SER B 185 -2.194 -8.074 10.219 1.00 1.15 O ATOM 1208 CB SER B 185 0.945 -6.434 11.068 1.00 1.56 C ATOM 1209 OG SER B 185 1.411 -6.992 9.853 1.00 1.90 O ATOM 0 H SER B 185 -0.799 -8.964 11.908 1.00 1.58 H new ATOM 0 HA SER B 185 -0.981 -6.161 11.967 1.00 1.18 H new ATOM 0 HB2 SER B 185 0.923 -5.347 10.985 1.00 1.56 H new ATOM 0 HB3 SER B 185 1.640 -6.679 11.871 1.00 1.56 H new ATOM 0 HG SER B 185 1.630 -7.937 9.990 1.00 1.90 H new ATOM 1215 N PHE B 186 -0.901 -6.667 9.044 1.00 0.90 N ATOM 1216 CA PHE B 186 -1.597 -6.922 7.792 1.00 0.80 C ATOM 1217 C PHE B 186 -0.668 -7.580 6.787 1.00 0.76 C ATOM 1218 O PHE B 186 0.533 -7.312 6.765 1.00 1.01 O ATOM 1219 CB PHE B 186 -2.149 -5.630 7.200 1.00 0.81 C ATOM 1220 CG PHE B 186 -3.037 -5.864 6.011 1.00 0.71 C ATOM 1221 CD1 PHE B 186 -4.245 -6.533 6.154 1.00 1.32 C ATOM 1222 CD2 PHE B 186 -2.674 -5.417 4.745 1.00 1.14 C ATOM 1223 CE1 PHE B 186 -5.058 -6.738 5.077 1.00 1.39 C ATOM 1224 CE2 PHE B 186 -3.492 -5.631 3.671 1.00 1.10 C ATOM 1225 CZ PHE B 186 -4.682 -6.284 3.839 1.00 0.77 C ATOM 0 H PHE B 186 -0.136 -5.996 8.976 1.00 0.90 H new ATOM 0 HA PHE B 186 -2.427 -7.594 8.008 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -2.710 -5.096 7.967 1.00 0.81 H new ATOM 0 HB3 PHE B 186 -1.319 -4.987 6.906 1.00 0.81 H new ATOM 0 HD1 PHE B 186 -4.544 -6.895 7.127 1.00 1.32 H new ATOM 0 HD2 PHE B 186 -1.738 -4.896 4.609 1.00 1.14 H new ATOM 0 HE1 PHE B 186 -5.997 -7.257 5.200 1.00 1.39 H new ATOM 0 HE2 PHE B 186 -3.199 -5.285 2.691 1.00 1.10 H new ATOM 0 HZ PHE B 186 -5.330 -6.443 2.990 1.00 0.77 H new ATOM 1235 N TYR B 187 -1.230 -8.441 5.950 1.00 0.73 N ATOM 1236 CA TYR B 187 -0.451 -9.130 4.937 1.00 0.72 C ATOM 1237 C TYR B 187 -0.812 -8.612 3.542 1.00 0.79 C ATOM 1238 O TYR B 187 -0.919 -7.400 3.352 1.00 1.50 O ATOM 1239 CB TYR B 187 -0.609 -10.651 5.101 1.00 0.81 C ATOM 1240 CG TYR B 187 0.720 -11.391 5.200 1.00 0.77 C ATOM 1241 CD1 TYR B 187 1.703 -10.980 6.095 1.00 1.42 C ATOM 1242 CD2 TYR B 187 0.995 -12.497 4.406 1.00 1.43 C ATOM 1243 CE1 TYR B 187 2.911 -11.648 6.190 1.00 1.47 C ATOM 1244 CE2 TYR B 187 2.198 -13.170 4.497 1.00 1.60 C ATOM 1245 CZ TYR B 187 3.152 -12.741 5.390 1.00 1.11 C ATOM 1246 OH TYR B 187 4.352 -13.408 5.483 1.00 1.38 O ATOM 0 H TYR B 187 -2.222 -8.677 5.954 1.00 0.73 H new ATOM 0 HA TYR B 187 0.610 -8.916 5.066 1.00 0.72 H new ATOM 0 HB2 TYR B 187 -1.196 -10.853 5.997 1.00 0.81 H new ATOM 0 HB3 TYR B 187 -1.173 -11.044 4.255 1.00 0.81 H new ATOM 0 HD1 TYR B 187 1.520 -10.124 6.727 1.00 1.42 H new ATOM 0 HD2 TYR B 187 0.251 -12.839 3.701 1.00 1.43 H new ATOM 0 HE1 TYR B 187 3.662 -11.313 6.890 1.00 1.47 H new ATOM 0 HE2 TYR B 187 2.388 -14.029 3.870 1.00 1.60 H new ATOM 0 HH TYR B 187 4.228 -14.343 5.216 1.00 1.38 H new ATOM 1256 N GLU B 188 -0.971 -9.489 2.564 1.00 0.91 N ATOM 1257 CA GLU B 188 -1.281 -9.045 1.215 1.00 1.02 C ATOM 1258 C GLU B 188 -2.715 -8.555 1.089 1.00 1.10 C ATOM 1259 O GLU B 188 -3.058 -7.928 0.086 1.00 1.30 O ATOM 1260 CB GLU B 188 -1.029 -10.157 0.197 1.00 1.06 C ATOM 1261 CG GLU B 188 -1.351 -9.760 -1.235 1.00 1.38 C ATOM 1262 CD GLU B 188 -0.739 -10.702 -2.252 1.00 1.69 C ATOM 1263 OE1 GLU B 188 -0.606 -11.904 -1.943 1.00 2.25 O ATOM 1264 OE2 GLU B 188 -0.392 -10.237 -3.359 1.00 2.31 O ATOM 0 H GLU B 188 -0.892 -10.500 2.676 1.00 0.91 H new ATOM 0 HA GLU B 188 -0.616 -8.208 1.004 1.00 1.02 H new ATOM 0 HB2 GLU B 188 0.017 -10.460 0.254 1.00 1.06 H new ATOM 0 HB3 GLU B 188 -1.628 -11.027 0.467 1.00 1.06 H new ATOM 0 HG2 GLU B 188 -2.433 -9.740 -1.368 1.00 1.38 H new ATOM 0 HG3 GLU B 188 -0.989 -8.748 -1.418 1.00 1.38 H new ATOM 1271 N CYS B 189 -3.560 -8.816 2.090 1.00 1.06 N ATOM 1272 CA CYS B 189 -4.939 -8.347 1.994 1.00 1.30 C ATOM 1273 C CYS B 189 -5.853 -8.777 3.112 1.00 1.39 C ATOM 1274 O CYS B 189 -6.781 -8.044 3.461 1.00 1.52 O ATOM 1275 CB CYS B 189 -5.617 -8.847 0.703 1.00 1.66 C ATOM 1276 SG CYS B 189 -6.547 -10.440 0.884 1.00 2.11 S ATOM 0 H CYS B 189 -3.326 -9.327 2.941 1.00 1.06 H new ATOM 0 HA CYS B 189 -4.821 -7.264 2.029 1.00 1.30 H new ATOM 0 HB2 CYS B 189 -6.304 -8.079 0.349 1.00 1.66 H new ATOM 0 HB3 CYS B 189 -4.855 -8.972 -0.066 1.00 1.66 H new ATOM 1281 N CYS B 190 -5.717 -10.001 3.562 1.00 1.48 N ATOM 1282 CA CYS B 190 -6.695 -10.499 4.502 1.00 1.74 C ATOM 1283 C CYS B 190 -6.191 -11.627 5.395 1.00 2.01 C ATOM 1284 O CYS B 190 -6.986 -12.336 6.011 1.00 2.33 O ATOM 1285 CB CYS B 190 -7.900 -10.973 3.669 1.00 2.06 C ATOM 1286 SG CYS B 190 -8.170 -10.052 2.084 1.00 2.22 S ATOM 0 H CYS B 190 -4.972 -10.649 3.307 1.00 1.48 H new ATOM 0 HA CYS B 190 -6.952 -9.696 5.193 1.00 1.74 H new ATOM 0 HB2 CYS B 190 -7.770 -12.030 3.439 1.00 2.06 H new ATOM 0 HB3 CYS B 190 -8.800 -10.888 4.279 1.00 2.06 H new ATOM 1291 N LYS B 191 -4.885 -11.777 5.491 1.00 2.39 N ATOM 1292 CA LYS B 191 -4.310 -12.809 6.343 1.00 2.79 C ATOM 1293 C LYS B 191 -4.044 -12.266 7.742 1.00 2.64 C ATOM 1294 O LYS B 191 -3.477 -12.965 8.578 1.00 3.24 O ATOM 1295 CB LYS B 191 -3.016 -13.355 5.745 1.00 3.55 C ATOM 1296 CG LYS B 191 -3.147 -14.770 5.204 1.00 4.09 C ATOM 1297 CD LYS B 191 -3.661 -15.732 6.266 1.00 4.63 C ATOM 1298 CE LYS B 191 -4.830 -16.557 5.754 1.00 5.40 C ATOM 1299 NZ LYS B 191 -6.045 -15.724 5.533 1.00 6.03 N ATOM 0 H LYS B 191 -4.203 -11.204 4.995 1.00 2.39 H new ATOM 0 HA LYS B 191 -5.032 -13.623 6.411 1.00 2.79 H new ATOM 0 HB2 LYS B 191 -2.690 -12.696 4.940 1.00 3.55 H new ATOM 0 HB3 LYS B 191 -2.237 -13.337 6.507 1.00 3.55 H new ATOM 0 HG2 LYS B 191 -3.826 -14.772 4.351 1.00 4.09 H new ATOM 0 HG3 LYS B 191 -2.178 -15.112 4.841 1.00 4.09 H new ATOM 0 HD2 LYS B 191 -2.855 -16.396 6.577 1.00 4.63 H new ATOM 0 HD3 LYS B 191 -3.970 -15.170 7.148 1.00 4.63 H new ATOM 0 HE2 LYS B 191 -4.549 -17.044 4.820 1.00 5.40 H new ATOM 0 HE3 LYS B 191 -5.057 -17.347 6.469 1.00 5.40 H new ATOM 0 HZ1 LYS B 191 -6.803 -16.315 5.136 1.00 6.03 H new ATOM 0 HZ2 LYS B 191 -6.359 -15.320 6.439 1.00 6.03 H new ATOM 0 HZ3 LYS B 191 -5.822 -14.955 4.870 1.00 6.03 H new ATOM 1313 N GLU B 192 -4.437 -11.008 7.973 1.00 2.26 N ATOM 1314 CA GLU B 192 -4.228 -10.337 9.257 1.00 2.67 C ATOM 1315 C GLU B 192 -2.967 -10.860 9.968 1.00 2.38 C ATOM 1316 O GLU B 192 -1.883 -10.323 9.749 1.00 2.93 O ATOM 1317 CB GLU B 192 -5.476 -10.442 10.136 1.00 3.10 C ATOM 1318 CG GLU B 192 -6.536 -9.403 9.809 1.00 3.47 C ATOM 1319 CD GLU B 192 -7.494 -9.165 10.959 1.00 4.40 C ATOM 1320 OE1 GLU B 192 -7.019 -8.925 12.088 1.00 4.89 O ATOM 1321 OE2 GLU B 192 -8.721 -9.221 10.730 1.00 5.00 O ATOM 0 H GLU B 192 -4.907 -10.430 7.276 1.00 2.26 H new ATOM 0 HA GLU B 192 -4.058 -9.278 9.063 1.00 2.67 H new ATOM 0 HB2 GLU B 192 -5.907 -11.437 10.024 1.00 3.10 H new ATOM 0 HB3 GLU B 192 -5.185 -10.336 11.181 1.00 3.10 H new ATOM 0 HG2 GLU B 192 -6.050 -8.464 9.546 1.00 3.47 H new ATOM 0 HG3 GLU B 192 -7.099 -9.727 8.933 1.00 3.47 H new ATOM 1328 N PRO B 193 -3.050 -11.917 10.809 1.00 2.14 N ATOM 1329 CA PRO B 193 -1.867 -12.446 11.487 1.00 2.47 C ATOM 1330 C PRO B 193 -1.082 -13.440 10.627 1.00 1.99 C ATOM 1331 O PRO B 193 -0.560 -14.418 11.155 1.00 2.45 O ATOM 1332 CB PRO B 193 -2.471 -13.163 12.685 1.00 3.13 C ATOM 1333 CG PRO B 193 -3.746 -13.715 12.154 1.00 3.10 C ATOM 1334 CD PRO B 193 -4.264 -12.688 11.177 1.00 2.42 C ATOM 0 HA PRO B 193 -1.151 -11.662 11.733 1.00 2.47 H new ATOM 0 HB2 PRO B 193 -1.815 -13.952 13.053 1.00 3.13 H new ATOM 0 HB3 PRO B 193 -2.645 -12.479 13.516 1.00 3.13 H new ATOM 0 HG2 PRO B 193 -3.582 -14.674 11.663 1.00 3.10 H new ATOM 0 HG3 PRO B 193 -4.462 -13.887 12.957 1.00 3.10 H new ATOM 0 HD2 PRO B 193 -4.721 -13.157 10.306 1.00 2.42 H new ATOM 0 HD3 PRO B 193 -5.023 -12.050 11.630 1.00 2.42 H new ATOM 1342 N TYR B 194 -1.017 -13.193 9.307 1.00 1.31 N ATOM 1343 CA TYR B 194 -0.306 -14.073 8.363 1.00 1.18 C ATOM 1344 C TYR B 194 -0.091 -15.499 8.911 1.00 1.71 C ATOM 1345 O TYR B 194 -0.861 -16.400 8.581 1.00 2.54 O ATOM 1346 CB TYR B 194 1.023 -13.451 7.888 1.00 1.12 C ATOM 1347 CG TYR B 194 1.478 -12.213 8.650 1.00 0.95 C ATOM 1348 CD1 TYR B 194 0.641 -11.113 8.814 1.00 1.53 C ATOM 1349 CD2 TYR B 194 2.759 -12.138 9.187 1.00 1.68 C ATOM 1350 CE1 TYR B 194 1.062 -9.988 9.491 1.00 1.83 C ATOM 1351 CE2 TYR B 194 3.186 -11.017 9.865 1.00 2.15 C ATOM 1352 CZ TYR B 194 2.336 -9.944 10.016 1.00 1.92 C ATOM 1353 OH TYR B 194 2.761 -8.827 10.697 1.00 2.59 O ATOM 0 H TYR B 194 -1.453 -12.383 8.867 1.00 1.31 H new ATOM 0 HA TYR B 194 -0.960 -14.169 7.496 1.00 1.18 H new ATOM 0 HB2 TYR B 194 1.804 -14.208 7.960 1.00 1.12 H new ATOM 0 HB3 TYR B 194 0.926 -13.192 6.834 1.00 1.12 H new ATOM 0 HD1 TYR B 194 -0.357 -11.141 8.403 1.00 1.53 H new ATOM 0 HD2 TYR B 194 3.432 -12.975 9.070 1.00 1.68 H new ATOM 0 HE1 TYR B 194 0.397 -9.145 9.609 1.00 1.83 H new ATOM 0 HE2 TYR B 194 4.184 -10.980 10.277 1.00 2.15 H new ATOM 0 HH TYR B 194 3.416 -9.088 11.377 1.00 2.59 H new ATOM 1363 N PRO B 195 0.944 -15.742 9.749 1.00 1.85 N ATOM 1364 CA PRO B 195 1.199 -17.082 10.300 1.00 2.64 C ATOM 1365 C PRO B 195 0.066 -17.567 11.199 1.00 2.98 C ATOM 1366 O PRO B 195 -0.509 -18.631 10.971 1.00 3.23 O ATOM 1367 CB PRO B 195 2.485 -16.905 11.116 1.00 3.06 C ATOM 1368 CG PRO B 195 2.555 -15.448 11.411 1.00 2.77 C ATOM 1369 CD PRO B 195 1.939 -14.764 10.226 1.00 2.02 C ATOM 0 HA PRO B 195 1.281 -17.830 9.511 1.00 2.64 H new ATOM 0 HB2 PRO B 195 2.455 -17.493 12.034 1.00 3.06 H new ATOM 0 HB3 PRO B 195 3.358 -17.237 10.554 1.00 3.06 H new ATOM 0 HG2 PRO B 195 2.015 -15.207 12.327 1.00 2.77 H new ATOM 0 HG3 PRO B 195 3.587 -15.127 11.556 1.00 2.77 H new ATOM 0 HD2 PRO B 195 1.473 -13.819 10.505 1.00 2.02 H new ATOM 0 HD3 PRO B 195 2.682 -14.540 9.460 1.00 2.02 H new ATOM 1377 N ASP B 196 -0.246 -16.780 12.225 1.00 3.61 N ATOM 1378 CA ASP B 196 -1.306 -17.129 13.163 1.00 4.37 C ATOM 1379 C ASP B 196 -2.678 -16.783 12.590 1.00 5.06 C ATOM 1380 O ASP B 196 -3.595 -16.490 13.386 1.00 5.38 O ATOM 1381 CB ASP B 196 -1.097 -16.402 14.493 1.00 4.92 C ATOM 1382 CG ASP B 196 0.337 -16.480 14.980 1.00 5.20 C ATOM 1383 OD1 ASP B 196 1.189 -15.746 14.436 1.00 5.72 O ATOM 1384 OD2 ASP B 196 0.608 -17.276 15.904 1.00 5.27 O ATOM 0 H ASP B 196 0.221 -15.896 12.427 1.00 3.61 H new ATOM 0 HA ASP B 196 -1.266 -18.205 13.334 1.00 4.37 H new ATOM 0 HB2 ASP B 196 -1.382 -15.356 14.380 1.00 4.92 H new ATOM 0 HB3 ASP B 196 -1.757 -16.833 15.246 1.00 4.92 H new TER 1389 ASP B 196