USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=28 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 -49:sc= 0.192! USER MOD Set 1.2: B 194 TYR OH : rot -166:sc= -0.829 USER MOD Set 2.1: A 27 MET CE :methyl -119:sc= -0.039 (180deg=-2.15!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 LYS NZ :NH3+ 144:sc= -0.0991 (180deg=-2.82!) USER MOD Single : A 1 ILE N :NH3+ -109:sc= 0.0692 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-6.6!) USER MOD Single : A 5 THR OG1 : rot 50:sc= 0.28! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 9 SER OG : rot 180:sc= -0.68 USER MOD Single : A 12 SER OG : rot 180:sc= 0.142 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -7.32! C(o=-7.3!,f=-4.3!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.652 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -133:sc= 0.0567 (180deg=-0.141) 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= 0.00751 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.118) USER MOD Single : A 66 ASN : amide:sc= -9.85! C(o=-9.8!,f=-18!) USER MOD Single : A 68 HIS : no HE2:sc= -6.59 K(o=-6.6,f=-9.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : B 181 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0417) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 187 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 LYS NZ :NH3+ 160:sc= 1.29 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.069 14.336 -4.566 1.00 1.84 N ATOM 2 CA ILE A 1 1.396 12.909 -4.819 1.00 1.28 C ATOM 3 C ILE A 1 0.411 11.988 -4.101 1.00 1.18 C ATOM 4 O ILE A 1 -0.211 12.384 -3.119 1.00 1.52 O ATOM 5 CB ILE A 1 2.839 12.583 -4.371 1.00 1.23 C ATOM 6 CG1 ILE A 1 3.341 11.319 -5.067 1.00 1.40 C ATOM 7 CG2 ILE A 1 2.924 12.432 -2.857 1.00 1.76 C ATOM 8 CD1 ILE A 1 4.716 11.482 -5.677 1.00 1.67 C ATOM 0 H1 ILE A 1 0.690 14.765 -5.434 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.358 14.400 -3.809 1.00 1.84 H new ATOM 0 H3 ILE A 1 1.930 14.843 -4.277 1.00 1.84 H new ATOM 0 HA ILE A 1 1.317 12.740 -5.893 1.00 1.28 H new ATOM 0 HB ILE A 1 3.479 13.417 -4.660 1.00 1.23 H new ATOM 0 HG12 ILE A 1 3.364 10.500 -4.348 1.00 1.40 H new ATOM 0 HG13 ILE A 1 2.635 11.037 -5.848 1.00 1.40 H new ATOM 0 HG21 ILE A 1 3.951 12.203 -2.571 1.00 1.76 H new ATOM 0 HG22 ILE A 1 2.614 13.362 -2.381 1.00 1.76 H new ATOM 0 HG23 ILE A 1 2.269 11.623 -2.535 1.00 1.76 H new ATOM 0 HD11 ILE A 1 5.015 10.549 -6.156 1.00 1.67 H new ATOM 0 HD12 ILE A 1 4.692 12.280 -6.420 1.00 1.67 H new ATOM 0 HD13 ILE A 1 5.433 11.735 -4.896 1.00 1.67 H new ATOM 22 N VAL A 2 0.272 10.764 -4.600 1.00 0.91 N ATOM 23 CA VAL A 2 -0.646 9.798 -4.004 1.00 0.84 C ATOM 24 C VAL A 2 0.089 8.526 -3.579 1.00 0.73 C ATOM 25 O VAL A 2 1.205 8.268 -4.029 1.00 0.75 O ATOM 26 CB VAL A 2 -1.788 9.440 -4.981 1.00 0.97 C ATOM 27 CG1 VAL A 2 -1.266 8.653 -6.175 1.00 1.37 C ATOM 28 CG2 VAL A 2 -2.886 8.671 -4.269 1.00 1.66 C ATOM 0 H VAL A 2 0.781 10.418 -5.413 1.00 0.91 H new ATOM 0 HA VAL A 2 -1.076 10.265 -3.118 1.00 0.84 H new ATOM 0 HB VAL A 2 -2.211 10.373 -5.355 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -2.093 8.416 -6.844 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -0.527 9.250 -6.709 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -0.804 7.729 -5.828 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.679 8.430 -4.977 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.476 7.749 -3.856 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -3.293 9.281 -3.462 1.00 1.66 H new ATOM 38 N CYS A 3 -0.541 7.736 -2.714 1.00 0.75 N ATOM 39 CA CYS A 3 0.061 6.499 -2.239 1.00 0.76 C ATOM 40 C CYS A 3 -0.964 5.626 -1.534 1.00 0.74 C ATOM 41 O CYS A 3 -1.795 6.108 -0.762 1.00 0.79 O ATOM 42 CB CYS A 3 1.225 6.795 -1.298 1.00 0.86 C ATOM 43 SG CYS A 3 2.422 5.432 -1.149 1.00 1.18 S ATOM 0 H CYS A 3 -1.465 7.932 -2.330 1.00 0.75 H new ATOM 0 HA CYS A 3 0.436 5.958 -3.108 1.00 0.76 H new ATOM 0 HB2 CYS A 3 1.746 7.685 -1.650 1.00 0.86 H new ATOM 0 HB3 CYS A 3 0.829 7.027 -0.309 1.00 0.86 H new ATOM 48 N HIS A 4 -0.888 4.337 -1.809 1.00 1.00 N ATOM 49 CA HIS A 4 -1.792 3.360 -1.218 1.00 1.15 C ATOM 50 C HIS A 4 -1.953 3.586 0.287 1.00 1.39 C ATOM 51 O HIS A 4 -1.074 4.148 0.939 1.00 1.83 O ATOM 52 CB HIS A 4 -1.278 1.947 -1.495 1.00 1.50 C ATOM 53 CG HIS A 4 -1.634 1.448 -2.861 1.00 1.65 C ATOM 54 ND1 HIS A 4 -2.781 0.726 -3.115 1.00 2.53 N ATOM 55 CD2 HIS A 4 -1.002 1.579 -4.058 1.00 1.60 C ATOM 56 CE1 HIS A 4 -2.841 0.434 -4.402 1.00 3.06 C ATOM 57 NE2 HIS A 4 -1.777 0.940 -4.995 1.00 2.46 N ATOM 0 H HIS A 4 -0.200 3.936 -2.447 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.774 3.482 -1.675 1.00 1.15 H new ATOM 0 HB2 HIS A 4 -0.194 1.933 -1.381 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.686 1.266 -0.748 1.00 1.50 H new ATOM 0 HD1 HIS A 4 -3.475 0.459 -2.417 1.00 2.53 H new ATOM 0 HD2 HIS A 4 -0.067 2.089 -4.238 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -3.628 -0.125 -4.887 1.00 3.06 H new ATOM 66 N THR A 5 -3.092 3.154 0.822 1.00 1.34 N ATOM 67 CA THR A 5 -3.392 3.309 2.244 1.00 1.76 C ATOM 68 C THR A 5 -2.317 2.660 3.119 1.00 1.62 C ATOM 69 O THR A 5 -1.198 2.426 2.669 1.00 2.15 O ATOM 70 CB THR A 5 -4.771 2.715 2.547 1.00 2.22 C ATOM 71 OG1 THR A 5 -5.048 2.743 3.936 1.00 2.90 O ATOM 72 CG2 THR A 5 -4.920 1.287 2.076 1.00 2.13 C ATOM 0 H THR A 5 -3.827 2.691 0.288 1.00 1.34 H new ATOM 0 HA THR A 5 -3.401 4.373 2.480 1.00 1.76 H new ATOM 0 HB THR A 5 -5.476 3.340 1.999 1.00 2.22 H new ATOM 0 HG1 THR A 5 -4.874 3.641 4.286 1.00 2.90 H new ATOM 0 HG21 THR A 5 -5.919 0.925 2.321 1.00 2.13 H new ATOM 0 HG22 THR A 5 -4.772 1.242 0.997 1.00 2.13 H new ATOM 0 HG23 THR A 5 -4.177 0.661 2.570 1.00 2.13 H new ATOM 80 N THR A 6 -2.658 2.384 4.374 1.00 1.66 N ATOM 81 CA THR A 6 -1.714 1.775 5.306 1.00 2.10 C ATOM 82 C THR A 6 -1.909 0.262 5.392 1.00 1.68 C ATOM 83 O THR A 6 -1.488 -0.373 6.359 1.00 2.39 O ATOM 84 CB THR A 6 -1.875 2.398 6.693 1.00 2.95 C ATOM 85 OG1 THR A 6 -1.722 3.805 6.632 1.00 3.66 O ATOM 86 CG2 THR A 6 -0.880 1.871 7.700 1.00 3.19 C ATOM 0 H THR A 6 -3.579 2.572 4.769 1.00 1.66 H new ATOM 0 HA THR A 6 -0.707 1.965 4.934 1.00 2.10 H new ATOM 0 HB THR A 6 -2.879 2.125 7.019 1.00 2.95 H new ATOM 0 HG1 THR A 6 -1.830 4.185 7.529 1.00 3.66 H new ATOM 0 HG21 THR A 6 -1.047 2.353 8.663 1.00 3.19 H new ATOM 0 HG22 THR A 6 -1.006 0.794 7.806 1.00 3.19 H new ATOM 0 HG23 THR A 6 0.132 2.086 7.358 1.00 3.19 H new ATOM 94 N ALA A 7 -2.542 -0.316 4.377 1.00 1.08 N ATOM 95 CA ALA A 7 -2.779 -1.755 4.351 1.00 1.16 C ATOM 96 C ALA A 7 -3.606 -2.201 5.550 1.00 1.13 C ATOM 97 O ALA A 7 -3.417 -3.301 6.068 1.00 1.34 O ATOM 98 CB ALA A 7 -1.454 -2.502 4.317 1.00 1.59 C ATOM 0 H ALA A 7 -2.899 0.187 3.565 1.00 1.08 H new ATOM 0 HA ALA A 7 -3.344 -1.989 3.449 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -1.642 -3.576 4.298 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -0.897 -2.215 3.425 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -0.872 -2.251 5.204 1.00 1.59 H new ATOM 104 N THR A 8 -4.533 -1.349 5.986 1.00 1.25 N ATOM 105 CA THR A 8 -5.392 -1.683 7.120 1.00 1.44 C ATOM 106 C THR A 8 -6.006 -3.060 6.909 1.00 1.50 C ATOM 107 O THR A 8 -6.031 -3.895 7.814 1.00 2.19 O ATOM 108 CB THR A 8 -6.493 -0.631 7.287 1.00 1.67 C ATOM 109 OG1 THR A 8 -6.602 0.172 6.124 1.00 2.24 O ATOM 110 CG2 THR A 8 -6.266 0.293 8.463 1.00 2.08 C ATOM 0 H THR A 8 -4.707 -0.432 5.576 1.00 1.25 H new ATOM 0 HA THR A 8 -4.790 -1.695 8.028 1.00 1.44 H new ATOM 0 HB THR A 8 -7.407 -1.198 7.463 1.00 1.67 H new ATOM 0 HG1 THR A 8 -7.312 0.836 6.250 1.00 2.24 H new ATOM 0 HG21 THR A 8 -7.082 1.013 8.523 1.00 2.08 H new ATOM 0 HG22 THR A 8 -6.229 -0.291 9.383 1.00 2.08 H new ATOM 0 HG23 THR A 8 -5.323 0.824 8.332 1.00 2.08 H new ATOM 118 N SER A 9 -6.485 -3.286 5.693 1.00 1.21 N ATOM 119 CA SER A 9 -7.087 -4.553 5.318 1.00 1.26 C ATOM 120 C SER A 9 -7.480 -4.535 3.841 1.00 1.26 C ATOM 121 O SER A 9 -6.938 -5.298 3.041 1.00 1.68 O ATOM 122 CB SER A 9 -8.290 -4.857 6.207 1.00 1.48 C ATOM 123 OG SER A 9 -9.375 -5.384 5.462 1.00 1.90 O ATOM 0 H SER A 9 -6.466 -2.596 4.942 1.00 1.21 H new ATOM 0 HA SER A 9 -6.355 -5.348 5.464 1.00 1.26 H new ATOM 0 HB2 SER A 9 -8.000 -5.569 6.980 1.00 1.48 H new ATOM 0 HB3 SER A 9 -8.606 -3.946 6.715 1.00 1.48 H new ATOM 0 HG SER A 9 -10.126 -5.568 6.064 1.00 1.90 H new ATOM 129 N PRO A 10 -8.419 -3.653 3.450 1.00 1.28 N ATOM 130 CA PRO A 10 -8.858 -3.539 2.064 1.00 1.45 C ATOM 131 C PRO A 10 -7.985 -2.576 1.269 1.00 1.28 C ATOM 132 O PRO A 10 -8.196 -1.363 1.300 1.00 1.62 O ATOM 133 CB PRO A 10 -10.259 -2.973 2.210 1.00 1.78 C ATOM 134 CG PRO A 10 -10.171 -2.082 3.405 1.00 2.09 C ATOM 135 CD PRO A 10 -9.125 -2.686 4.317 1.00 1.74 C ATOM 0 HA PRO A 10 -8.808 -4.486 1.527 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -10.559 -2.418 1.321 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -10.995 -3.764 2.356 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -9.893 -1.069 3.114 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -11.134 -2.015 3.911 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -8.446 -1.927 4.705 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -9.580 -3.177 5.177 1.00 1.74 H new ATOM 143 N ILE A 11 -7.002 -3.119 0.563 1.00 1.07 N ATOM 144 CA ILE A 11 -6.094 -2.304 -0.238 1.00 1.06 C ATOM 145 C ILE A 11 -6.874 -1.329 -1.124 1.00 1.20 C ATOM 146 O ILE A 11 -7.455 -1.723 -2.137 1.00 1.48 O ATOM 147 CB ILE A 11 -5.161 -3.193 -1.102 1.00 1.22 C ATOM 148 CG1 ILE A 11 -3.847 -3.455 -0.361 1.00 1.28 C ATOM 149 CG2 ILE A 11 -4.877 -2.558 -2.460 1.00 1.71 C ATOM 150 CD1 ILE A 11 -4.027 -4.142 0.975 1.00 1.20 C ATOM 0 H ILE A 11 -6.812 -4.120 0.528 1.00 1.07 H new ATOM 0 HA ILE A 11 -5.474 -1.726 0.448 1.00 1.06 H new ATOM 0 HB ILE A 11 -5.673 -4.139 -1.276 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -3.202 -4.068 -0.990 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -3.333 -2.507 -0.205 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -4.220 -3.210 -3.036 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -5.814 -2.418 -2.999 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -4.394 -1.592 -2.316 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -3.053 -4.294 1.440 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -4.646 -3.521 1.623 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -4.512 -5.107 0.826 1.00 1.20 H new ATOM 162 N SER A 12 -6.884 -0.058 -0.732 1.00 1.20 N ATOM 163 CA SER A 12 -7.592 0.969 -1.485 1.00 1.43 C ATOM 164 C SER A 12 -6.605 1.915 -2.178 1.00 1.63 C ATOM 165 O SER A 12 -5.957 1.529 -3.151 1.00 2.44 O ATOM 166 CB SER A 12 -8.538 1.743 -0.559 1.00 1.77 C ATOM 167 OG SER A 12 -7.857 2.209 0.594 1.00 2.15 O ATOM 0 H SER A 12 -6.409 0.284 0.103 1.00 1.20 H new ATOM 0 HA SER A 12 -8.187 0.485 -2.260 1.00 1.43 H new ATOM 0 HB2 SER A 12 -8.968 2.588 -1.097 1.00 1.77 H new ATOM 0 HB3 SER A 12 -9.366 1.100 -0.261 1.00 1.77 H new ATOM 0 HG SER A 12 -8.482 2.701 1.167 1.00 2.15 H new ATOM 173 N ALA A 13 -6.484 3.153 -1.683 1.00 1.65 N ATOM 174 CA ALA A 13 -5.568 4.126 -2.275 1.00 2.14 C ATOM 175 C ALA A 13 -5.772 5.519 -1.683 1.00 1.82 C ATOM 176 O ALA A 13 -6.699 6.233 -2.063 1.00 2.37 O ATOM 177 CB ALA A 13 -5.744 4.171 -3.788 1.00 2.97 C ATOM 0 H ALA A 13 -7.007 3.500 -0.879 1.00 1.65 H new ATOM 0 HA ALA A 13 -4.552 3.806 -2.043 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -5.055 4.900 -4.213 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -5.535 3.187 -4.208 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -6.768 4.458 -4.027 1.00 2.97 H new ATOM 183 N VAL A 14 -4.894 5.903 -0.760 1.00 1.28 N ATOM 184 CA VAL A 14 -4.976 7.219 -0.128 1.00 1.35 C ATOM 185 C VAL A 14 -3.872 8.137 -0.656 1.00 1.06 C ATOM 186 O VAL A 14 -3.259 7.848 -1.682 1.00 1.09 O ATOM 187 CB VAL A 14 -4.891 7.133 1.415 1.00 2.08 C ATOM 188 CG1 VAL A 14 -5.723 8.232 2.060 1.00 2.82 C ATOM 189 CG2 VAL A 14 -5.348 5.767 1.911 1.00 2.60 C ATOM 0 H VAL A 14 -4.120 5.325 -0.433 1.00 1.28 H new ATOM 0 HA VAL A 14 -5.950 7.635 -0.385 1.00 1.35 H new ATOM 0 HB VAL A 14 -3.848 7.271 1.701 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -5.650 8.154 3.145 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -5.351 9.205 1.740 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -6.765 8.125 1.758 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -5.279 5.733 2.998 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -6.381 5.597 1.608 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -4.712 4.993 1.482 1.00 2.60 H new ATOM 199 N THR A 15 -3.627 9.250 0.036 1.00 1.36 N ATOM 200 CA THR A 15 -2.604 10.204 -0.387 1.00 1.37 C ATOM 201 C THR A 15 -1.572 10.439 0.715 1.00 1.15 C ATOM 202 O THR A 15 -1.889 10.359 1.902 1.00 1.63 O ATOM 203 CB THR A 15 -3.263 11.530 -0.769 1.00 1.93 C ATOM 204 OG1 THR A 15 -4.372 11.311 -1.623 1.00 2.45 O ATOM 205 CG2 THR A 15 -2.326 12.487 -1.470 1.00 2.47 C ATOM 0 H THR A 15 -4.122 9.512 0.889 1.00 1.36 H new ATOM 0 HA THR A 15 -2.087 9.786 -1.251 1.00 1.37 H new ATOM 0 HB THR A 15 -3.573 11.979 0.175 1.00 1.93 H new ATOM 0 HG1 THR A 15 -4.781 12.171 -1.855 1.00 2.45 H new ATOM 0 HG21 THR A 15 -2.859 13.406 -1.712 1.00 2.47 H new ATOM 0 HG22 THR A 15 -1.485 12.717 -0.816 1.00 2.47 H new ATOM 0 HG23 THR A 15 -1.958 12.029 -2.388 1.00 2.47 H new ATOM 213 N CYS A 16 -0.338 10.743 0.316 1.00 1.00 N ATOM 214 CA CYS A 16 0.732 11.003 1.276 1.00 0.91 C ATOM 215 C CYS A 16 0.724 12.470 1.703 1.00 1.05 C ATOM 216 O CYS A 16 0.329 13.344 0.931 1.00 1.59 O ATOM 217 CB CYS A 16 2.102 10.671 0.677 1.00 1.11 C ATOM 218 SG CYS A 16 2.415 8.892 0.468 1.00 1.82 S ATOM 0 H CYS A 16 -0.056 10.815 -0.661 1.00 1.00 H new ATOM 0 HA CYS A 16 0.555 10.366 2.142 1.00 0.91 H new ATOM 0 HB2 CYS A 16 2.190 11.160 -0.293 1.00 1.11 H new ATOM 0 HB3 CYS A 16 2.877 11.092 1.317 1.00 1.11 H new ATOM 223 N PRO A 17 1.176 12.767 2.935 1.00 1.33 N ATOM 224 CA PRO A 17 1.236 14.137 3.453 1.00 1.72 C ATOM 225 C PRO A 17 1.887 15.101 2.454 1.00 1.75 C ATOM 226 O PRO A 17 2.315 14.691 1.377 1.00 2.05 O ATOM 227 CB PRO A 17 2.098 14.011 4.723 1.00 2.51 C ATOM 228 CG PRO A 17 2.653 12.624 4.700 1.00 2.77 C ATOM 229 CD PRO A 17 1.673 11.802 3.916 1.00 2.00 C ATOM 0 HA PRO A 17 0.243 14.545 3.643 1.00 1.72 H new ATOM 0 HB2 PRO A 17 2.897 14.752 4.729 1.00 2.51 H new ATOM 0 HB3 PRO A 17 1.501 14.179 5.619 1.00 2.51 H new ATOM 0 HG2 PRO A 17 3.639 12.605 4.235 1.00 2.77 H new ATOM 0 HG3 PRO A 17 2.770 12.233 5.711 1.00 2.77 H new ATOM 0 HD2 PRO A 17 2.149 10.945 3.439 1.00 2.00 H new ATOM 0 HD3 PRO A 17 0.873 11.412 4.545 1.00 2.00 H new ATOM 237 N PRO A 18 1.962 16.399 2.797 1.00 2.25 N ATOM 238 CA PRO A 18 2.552 17.413 1.914 1.00 2.90 C ATOM 239 C PRO A 18 4.061 17.242 1.728 1.00 2.81 C ATOM 240 O PRO A 18 4.536 17.045 0.610 1.00 3.40 O ATOM 241 CB PRO A 18 2.247 18.736 2.622 1.00 3.70 C ATOM 242 CG PRO A 18 2.024 18.378 4.051 1.00 3.66 C ATOM 243 CD PRO A 18 1.466 16.981 4.058 1.00 2.83 C ATOM 0 HA PRO A 18 2.140 17.347 0.907 1.00 2.90 H new ATOM 0 HB2 PRO A 18 3.075 19.437 2.517 1.00 3.70 H new ATOM 0 HB3 PRO A 18 1.366 19.216 2.195 1.00 3.70 H new ATOM 0 HG2 PRO A 18 2.957 18.426 4.613 1.00 3.66 H new ATOM 0 HG3 PRO A 18 1.331 19.075 4.522 1.00 3.66 H new ATOM 0 HD2 PRO A 18 1.813 16.416 4.923 1.00 2.83 H new ATOM 0 HD3 PRO A 18 0.377 16.985 4.096 1.00 2.83 H new ATOM 251 N GLY A 19 4.807 17.329 2.825 1.00 2.46 N ATOM 252 CA GLY A 19 6.251 17.192 2.752 1.00 2.58 C ATOM 253 C GLY A 19 6.687 15.877 2.133 1.00 1.98 C ATOM 254 O GLY A 19 5.857 15.105 1.653 1.00 2.27 O ATOM 0 H GLY A 19 4.438 17.492 3.762 1.00 2.46 H new ATOM 0 HA2 GLY A 19 6.660 18.016 2.168 1.00 2.58 H new ATOM 0 HA3 GLY A 19 6.670 17.273 3.755 1.00 2.58 H new ATOM 258 N GLU A 20 7.995 15.622 2.145 1.00 1.91 N ATOM 259 CA GLU A 20 8.548 14.391 1.585 1.00 1.74 C ATOM 260 C GLU A 20 7.769 13.178 2.063 1.00 1.36 C ATOM 261 O GLU A 20 7.356 13.121 3.221 1.00 2.07 O ATOM 262 CB GLU A 20 10.012 14.225 1.995 1.00 2.62 C ATOM 263 CG GLU A 20 10.952 15.206 1.314 1.00 3.53 C ATOM 264 CD GLU A 20 11.232 16.432 2.161 1.00 4.03 C ATOM 265 OE1 GLU A 20 12.103 16.352 3.052 1.00 4.12 O ATOM 266 OE2 GLU A 20 10.581 17.473 1.933 1.00 4.69 O ATOM 0 H GLU A 20 8.693 16.254 2.538 1.00 1.91 H new ATOM 0 HA GLU A 20 8.474 14.464 0.500 1.00 1.74 H new ATOM 0 HB2 GLU A 20 10.094 14.347 3.075 1.00 2.62 H new ATOM 0 HB3 GLU A 20 10.332 13.209 1.764 1.00 2.62 H new ATOM 0 HG2 GLU A 20 11.892 14.704 1.087 1.00 3.53 H new ATOM 0 HG3 GLU A 20 10.519 15.517 0.363 1.00 3.53 H new ATOM 273 N ASN A 21 7.577 12.202 1.180 1.00 1.08 N ATOM 274 CA ASN A 21 6.858 10.995 1.546 1.00 1.79 C ATOM 275 C ASN A 21 6.621 10.075 0.349 1.00 1.57 C ATOM 276 O ASN A 21 5.543 10.078 -0.248 1.00 2.07 O ATOM 277 CB ASN A 21 5.536 11.366 2.209 1.00 2.76 C ATOM 278 CG ASN A 21 5.511 10.986 3.678 1.00 3.80 C ATOM 279 OD1 ASN A 21 6.487 11.185 4.402 1.00 4.47 O ATOM 280 ND2 ASN A 21 4.396 10.432 4.123 1.00 4.30 N ATOM 0 H ASN A 21 7.908 12.226 0.215 1.00 1.08 H new ATOM 0 HA ASN A 21 7.477 10.440 2.251 1.00 1.79 H new ATOM 0 HB2 ASN A 21 5.369 12.438 2.109 1.00 2.76 H new ATOM 0 HB3 ASN A 21 4.718 10.866 1.691 1.00 2.76 H new ATOM 0 HD21 ASN A 21 4.321 10.151 5.101 1.00 4.30 H new ATOM 0 HD22 ASN A 21 3.611 10.285 3.489 1.00 4.30 H new ATOM 287 N LEU A 22 7.630 9.269 0.024 1.00 1.06 N ATOM 288 CA LEU A 22 7.527 8.314 -1.082 1.00 0.90 C ATOM 289 C LEU A 22 6.711 7.102 -0.660 1.00 0.77 C ATOM 290 O LEU A 22 6.263 7.007 0.483 1.00 0.92 O ATOM 291 CB LEU A 22 8.907 7.846 -1.581 1.00 1.01 C ATOM 292 CG LEU A 22 10.107 8.154 -0.682 1.00 0.89 C ATOM 293 CD1 LEU A 22 11.169 7.074 -0.814 1.00 1.70 C ATOM 294 CD2 LEU A 22 10.683 9.511 -1.038 1.00 1.13 C ATOM 0 H LEU A 22 8.527 9.257 0.509 1.00 1.06 H new ATOM 0 HA LEU A 22 7.030 8.833 -1.901 1.00 0.90 H new ATOM 0 HB2 LEU A 22 8.865 6.768 -1.734 1.00 1.01 H new ATOM 0 HB3 LEU A 22 9.087 8.299 -2.556 1.00 1.01 H new ATOM 0 HG LEU A 22 9.771 8.173 0.355 1.00 0.89 H new ATOM 0 HD11 LEU A 22 12.013 7.313 -0.167 1.00 1.70 H new ATOM 0 HD12 LEU A 22 10.748 6.112 -0.522 1.00 1.70 H new ATOM 0 HD13 LEU A 22 11.509 7.022 -1.848 1.00 1.70 H new ATOM 0 HD21 LEU A 22 11.537 9.724 -0.395 1.00 1.13 H new ATOM 0 HD22 LEU A 22 11.005 9.508 -2.079 1.00 1.13 H new ATOM 0 HD23 LEU A 22 9.922 10.278 -0.896 1.00 1.13 H new ATOM 306 N CYS A 23 6.525 6.172 -1.588 1.00 0.69 N ATOM 307 CA CYS A 23 5.766 4.959 -1.310 1.00 0.71 C ATOM 308 C CYS A 23 6.704 3.832 -0.899 1.00 0.76 C ATOM 309 O CYS A 23 7.568 3.427 -1.677 1.00 0.99 O ATOM 310 CB CYS A 23 4.967 4.546 -2.544 1.00 0.84 C ATOM 311 SG CYS A 23 3.502 5.578 -2.860 1.00 1.02 S ATOM 0 H CYS A 23 6.889 6.234 -2.539 1.00 0.69 H new ATOM 0 HA CYS A 23 5.076 5.160 -0.490 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.620 4.584 -3.416 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.650 3.510 -2.428 1.00 0.84 H new ATOM 316 N TYR A 24 6.548 3.333 0.325 1.00 0.74 N ATOM 317 CA TYR A 24 7.400 2.273 0.810 1.00 0.84 C ATOM 318 C TYR A 24 6.604 0.987 1.021 1.00 0.86 C ATOM 319 O TYR A 24 5.374 0.999 1.021 1.00 1.23 O ATOM 320 CB TYR A 24 8.058 2.711 2.122 1.00 1.01 C ATOM 321 CG TYR A 24 7.161 2.606 3.346 1.00 1.03 C ATOM 322 CD1 TYR A 24 6.759 1.371 3.846 1.00 1.57 C ATOM 323 CD2 TYR A 24 6.716 3.748 3.998 1.00 1.62 C ATOM 324 CE1 TYR A 24 5.943 1.279 4.956 1.00 1.68 C ATOM 325 CE2 TYR A 24 5.900 3.663 5.112 1.00 1.74 C ATOM 326 CZ TYR A 24 5.516 2.428 5.584 1.00 1.34 C ATOM 327 OH TYR A 24 4.704 2.343 6.692 1.00 1.57 O ATOM 0 H TYR A 24 5.841 3.650 0.989 1.00 0.74 H new ATOM 0 HA TYR A 24 8.170 2.072 0.066 1.00 0.84 H new ATOM 0 HB2 TYR A 24 8.948 2.104 2.287 1.00 1.01 H new ATOM 0 HB3 TYR A 24 8.391 3.744 2.019 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.092 0.468 3.357 1.00 1.57 H new ATOM 0 HD2 TYR A 24 7.012 4.719 3.629 1.00 1.62 H new ATOM 0 HE1 TYR A 24 5.641 0.312 5.330 1.00 1.68 H new ATOM 0 HE2 TYR A 24 5.566 4.562 5.609 1.00 1.74 H new ATOM 0 HH TYR A 24 4.495 3.245 7.014 1.00 1.57 H new ATOM 337 N ARG A 25 7.318 -0.109 1.233 1.00 0.81 N ATOM 338 CA ARG A 25 6.690 -1.400 1.483 1.00 0.85 C ATOM 339 C ARG A 25 7.595 -2.248 2.365 1.00 0.85 C ATOM 340 O ARG A 25 8.718 -2.575 1.978 1.00 1.02 O ATOM 341 CB ARG A 25 6.400 -2.126 0.167 1.00 0.99 C ATOM 342 CG ARG A 25 7.599 -2.222 -0.760 1.00 1.29 C ATOM 343 CD ARG A 25 7.267 -3.022 -2.010 1.00 1.64 C ATOM 344 NE ARG A 25 8.407 -3.114 -2.920 1.00 1.83 N ATOM 345 CZ ARG A 25 8.459 -3.948 -3.956 1.00 2.23 C ATOM 346 NH1 ARG A 25 7.443 -4.761 -4.215 1.00 2.63 N ATOM 347 NH2 ARG A 25 9.532 -3.970 -4.736 1.00 2.91 N ATOM 0 H ARG A 25 8.338 -0.130 1.237 1.00 0.81 H new ATOM 0 HA ARG A 25 5.742 -1.235 1.995 1.00 0.85 H new ATOM 0 HB2 ARG A 25 6.043 -3.132 0.389 1.00 0.99 H new ATOM 0 HB3 ARG A 25 5.593 -1.609 -0.352 1.00 0.99 H new ATOM 0 HG2 ARG A 25 7.925 -1.221 -1.042 1.00 1.29 H new ATOM 0 HG3 ARG A 25 8.431 -2.692 -0.235 1.00 1.29 H new ATOM 0 HD2 ARG A 25 6.949 -4.025 -1.725 1.00 1.64 H new ATOM 0 HD3 ARG A 25 6.428 -2.556 -2.526 1.00 1.64 H new ATOM 0 HE ARG A 25 9.208 -2.505 -2.752 1.00 1.83 H new ATOM 0 HH11 ARG A 25 6.616 -4.749 -3.619 1.00 2.63 H new ATOM 0 HH12 ARG A 25 7.489 -5.398 -5.011 1.00 2.63 H new ATOM 0 HH21 ARG A 25 10.317 -3.348 -4.542 1.00 2.91 H new ATOM 0 HH22 ARG A 25 9.572 -4.609 -5.530 1.00 2.91 H new ATOM 361 N LYS A 26 7.121 -2.595 3.559 1.00 0.83 N ATOM 362 CA LYS A 26 7.931 -3.397 4.476 1.00 0.89 C ATOM 363 C LYS A 26 7.402 -4.819 4.580 1.00 0.86 C ATOM 364 O LYS A 26 6.237 -5.033 4.915 1.00 1.06 O ATOM 365 CB LYS A 26 7.994 -2.746 5.860 1.00 1.09 C ATOM 366 CG LYS A 26 6.639 -2.560 6.521 1.00 1.23 C ATOM 367 CD LYS A 26 6.658 -1.399 7.503 1.00 1.40 C ATOM 368 CE LYS A 26 5.733 -1.646 8.683 1.00 1.63 C ATOM 369 NZ LYS A 26 4.549 -0.743 8.658 1.00 2.19 N ATOM 0 H LYS A 26 6.198 -2.340 3.911 1.00 0.83 H new ATOM 0 HA LYS A 26 8.942 -3.442 4.070 1.00 0.89 H new ATOM 0 HB2 LYS A 26 8.622 -3.357 6.509 1.00 1.09 H new ATOM 0 HB3 LYS A 26 8.479 -1.774 5.771 1.00 1.09 H new ATOM 0 HG2 LYS A 26 5.881 -2.381 5.758 1.00 1.23 H new ATOM 0 HG3 LYS A 26 6.357 -3.475 7.042 1.00 1.23 H new ATOM 0 HD2 LYS A 26 7.675 -1.244 7.864 1.00 1.40 H new ATOM 0 HD3 LYS A 26 6.359 -0.484 6.991 1.00 1.40 H new ATOM 0 HE2 LYS A 26 5.399 -2.683 8.672 1.00 1.63 H new ATOM 0 HE3 LYS A 26 6.283 -1.498 9.613 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 3.715 -1.254 9.012 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 4.730 0.084 9.262 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 4.374 -0.427 7.683 1.00 2.19 H new ATOM 383 N MET A 27 8.263 -5.794 4.287 1.00 0.79 N ATOM 384 CA MET A 27 7.860 -7.200 4.343 1.00 0.85 C ATOM 385 C MET A 27 8.808 -8.012 5.221 1.00 0.79 C ATOM 386 O MET A 27 10.019 -7.793 5.209 1.00 0.84 O ATOM 387 CB MET A 27 7.805 -7.810 2.934 1.00 1.03 C ATOM 388 CG MET A 27 8.013 -6.804 1.810 1.00 1.28 C ATOM 389 SD MET A 27 9.751 -6.400 1.553 1.00 1.66 S ATOM 390 CE MET A 27 9.628 -5.180 0.247 1.00 2.08 C ATOM 0 H MET A 27 9.233 -5.640 4.012 1.00 0.79 H new ATOM 0 HA MET A 27 6.863 -7.236 4.783 1.00 0.85 H new ATOM 0 HB2 MET A 27 8.566 -8.587 2.857 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.839 -8.295 2.798 1.00 1.03 H new ATOM 0 HG2 MET A 27 7.597 -7.206 0.886 1.00 1.28 H new ATOM 0 HG3 MET A 27 7.462 -5.892 2.037 1.00 1.28 H new ATOM 0 HE1 MET A 27 10.159 -5.537 -0.635 1.00 2.08 H new ATOM 0 HE2 MET A 27 8.579 -5.018 -0.002 1.00 2.08 H new ATOM 0 HE3 MET A 27 10.070 -4.242 0.582 1.00 2.08 H new ATOM 400 N TRP A 28 8.250 -8.958 5.979 1.00 0.77 N ATOM 401 CA TRP A 28 9.063 -9.807 6.854 1.00 0.81 C ATOM 402 C TRP A 28 9.595 -10.988 6.076 1.00 0.98 C ATOM 403 O TRP A 28 10.794 -11.109 5.819 1.00 1.57 O ATOM 404 CB TRP A 28 8.273 -10.328 8.068 1.00 1.07 C ATOM 405 CG TRP A 28 7.532 -9.285 8.856 1.00 0.86 C ATOM 406 CD1 TRP A 28 6.569 -9.519 9.794 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.668 -7.861 8.777 1.00 0.85 C ATOM 408 NE1 TRP A 28 6.106 -8.336 10.303 1.00 0.89 N ATOM 409 CE2 TRP A 28 6.758 -7.306 9.691 1.00 0.89 C ATOM 410 CE3 TRP A 28 8.463 -7.002 8.026 1.00 1.00 C ATOM 411 CZ2 TRP A 28 6.622 -5.938 9.868 1.00 1.07 C ATOM 412 CZ3 TRP A 28 8.330 -5.638 8.204 1.00 1.15 C ATOM 413 CH2 TRP A 28 7.412 -5.118 9.120 1.00 1.19 C ATOM 0 H TRP A 28 7.250 -9.155 6.006 1.00 0.77 H new ATOM 0 HA TRP A 28 9.881 -9.189 7.224 1.00 0.81 H new ATOM 0 HB2 TRP A 28 7.557 -11.072 7.720 1.00 1.07 H new ATOM 0 HB3 TRP A 28 8.965 -10.840 8.737 1.00 1.07 H new ATOM 0 HD1 TRP A 28 6.222 -10.497 10.092 1.00 0.88 H new ATOM 0 HE1 TRP A 28 5.390 -8.240 11.023 1.00 0.89 H new ATOM 0 HE3 TRP A 28 9.174 -7.395 7.314 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 5.913 -5.535 10.576 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 8.945 -4.964 7.626 1.00 1.15 H new ATOM 0 HH2 TRP A 28 7.327 -4.048 9.237 1.00 1.19 H new ATOM 424 N CYS A 29 8.678 -11.847 5.704 1.00 1.10 N ATOM 425 CA CYS A 29 8.993 -13.045 4.938 1.00 1.39 C ATOM 426 C CYS A 29 9.812 -12.682 3.707 1.00 1.62 C ATOM 427 O CYS A 29 10.899 -13.215 3.490 1.00 2.20 O ATOM 428 CB CYS A 29 7.707 -13.763 4.520 1.00 1.50 C ATOM 429 SG CYS A 29 7.690 -15.550 4.881 1.00 1.87 S ATOM 0 H CYS A 29 7.687 -11.742 5.921 1.00 1.10 H new ATOM 0 HA CYS A 29 9.579 -13.715 5.567 1.00 1.39 H new ATOM 0 HB2 CYS A 29 6.863 -13.295 5.026 1.00 1.50 H new ATOM 0 HB3 CYS A 29 7.557 -13.620 3.450 1.00 1.50 H new ATOM 434 N ASP A 30 9.273 -11.752 2.918 1.00 1.38 N ATOM 435 CA ASP A 30 9.927 -11.271 1.700 1.00 1.74 C ATOM 436 C ASP A 30 10.748 -12.366 1.021 1.00 1.96 C ATOM 437 O ASP A 30 11.830 -12.107 0.496 1.00 2.52 O ATOM 438 CB ASP A 30 10.818 -10.073 2.031 1.00 2.08 C ATOM 439 CG ASP A 30 11.067 -9.186 0.828 1.00 2.33 C ATOM 440 OD1 ASP A 30 10.105 -8.920 0.078 1.00 2.64 O ATOM 441 OD2 ASP A 30 12.224 -8.757 0.636 1.00 2.75 O ATOM 0 H ASP A 30 8.372 -11.311 3.105 1.00 1.38 H new ATOM 0 HA ASP A 30 9.148 -10.968 1.001 1.00 1.74 H new ATOM 0 HB2 ASP A 30 10.352 -9.485 2.822 1.00 2.08 H new ATOM 0 HB3 ASP A 30 11.772 -10.430 2.419 1.00 2.08 H new ATOM 446 N ALA A 31 10.227 -13.590 1.040 1.00 2.10 N ATOM 447 CA ALA A 31 10.919 -14.720 0.430 1.00 2.46 C ATOM 448 C ALA A 31 9.936 -15.692 -0.218 1.00 2.26 C ATOM 449 O ALA A 31 9.826 -15.750 -1.442 1.00 2.66 O ATOM 450 CB ALA A 31 11.765 -15.440 1.469 1.00 2.98 C ATOM 0 H ALA A 31 9.332 -13.823 1.469 1.00 2.10 H new ATOM 0 HA ALA A 31 11.570 -14.332 -0.354 1.00 2.46 H new ATOM 0 HB1 ALA A 31 12.277 -16.282 1.002 1.00 2.98 H new ATOM 0 HB2 ALA A 31 12.502 -14.750 1.880 1.00 2.98 H new ATOM 0 HB3 ALA A 31 11.123 -15.805 2.271 1.00 2.98 H new ATOM 456 N PHE A 32 9.232 -16.461 0.608 1.00 2.11 N ATOM 457 CA PHE A 32 8.269 -17.435 0.101 1.00 2.17 C ATOM 458 C PHE A 32 6.920 -17.301 0.804 1.00 1.75 C ATOM 459 O PHE A 32 5.981 -16.722 0.255 1.00 2.16 O ATOM 460 CB PHE A 32 8.803 -18.868 0.259 1.00 2.77 C ATOM 461 CG PHE A 32 10.195 -18.946 0.821 1.00 3.17 C ATOM 462 CD1 PHE A 32 10.450 -18.562 2.128 1.00 3.67 C ATOM 463 CD2 PHE A 32 11.246 -19.403 0.044 1.00 3.74 C ATOM 464 CE1 PHE A 32 11.728 -18.631 2.650 1.00 4.50 C ATOM 465 CE2 PHE A 32 12.527 -19.476 0.559 1.00 4.54 C ATOM 466 CZ PHE A 32 12.769 -19.089 1.864 1.00 4.85 C ATOM 0 H PHE A 32 9.309 -16.430 1.625 1.00 2.11 H new ATOM 0 HA PHE A 32 8.125 -17.228 -0.960 1.00 2.17 H new ATOM 0 HB2 PHE A 32 8.129 -19.426 0.909 1.00 2.77 H new ATOM 0 HB3 PHE A 32 8.787 -19.359 -0.714 1.00 2.77 H new ATOM 0 HD1 PHE A 32 9.640 -18.204 2.746 1.00 3.67 H new ATOM 0 HD2 PHE A 32 11.063 -19.706 -0.976 1.00 3.74 H new ATOM 0 HE1 PHE A 32 11.913 -18.328 3.670 1.00 4.50 H new ATOM 0 HE2 PHE A 32 13.338 -19.835 -0.058 1.00 4.54 H new ATOM 0 HZ PHE A 32 13.769 -19.144 2.268 1.00 4.85 H new ATOM 476 N CYS A 33 6.820 -17.849 2.014 1.00 1.44 N ATOM 477 CA CYS A 33 5.576 -17.796 2.776 1.00 1.44 C ATOM 478 C CYS A 33 4.420 -18.350 1.943 1.00 1.67 C ATOM 479 O CYS A 33 4.643 -18.956 0.895 1.00 2.41 O ATOM 480 CB CYS A 33 5.281 -16.360 3.213 1.00 1.66 C ATOM 481 SG CYS A 33 5.714 -16.008 4.948 1.00 1.93 S ATOM 0 H CYS A 33 7.584 -18.333 2.486 1.00 1.44 H new ATOM 0 HA CYS A 33 5.687 -18.413 3.668 1.00 1.44 H new ATOM 0 HB2 CYS A 33 5.829 -15.675 2.566 1.00 1.66 H new ATOM 0 HB3 CYS A 33 4.220 -16.157 3.066 1.00 1.66 H new ATOM 486 N SER A 34 3.188 -18.148 2.404 1.00 1.74 N ATOM 487 CA SER A 34 2.025 -18.644 1.675 1.00 2.21 C ATOM 488 C SER A 34 0.735 -17.967 2.135 1.00 2.07 C ATOM 489 O SER A 34 0.723 -17.221 3.113 1.00 2.39 O ATOM 490 CB SER A 34 1.912 -20.161 1.842 1.00 2.92 C ATOM 491 OG SER A 34 0.612 -20.619 1.509 1.00 3.47 O ATOM 0 H SER A 34 2.971 -17.651 3.268 1.00 1.74 H new ATOM 0 HA SER A 34 2.166 -18.403 0.621 1.00 2.21 H new ATOM 0 HB2 SER A 34 2.648 -20.655 1.208 1.00 2.92 H new ATOM 0 HB3 SER A 34 2.144 -20.434 2.871 1.00 2.92 H new ATOM 0 HG SER A 34 0.569 -21.591 1.623 1.00 3.47 H new ATOM 497 N SER A 35 -0.346 -18.242 1.406 1.00 2.23 N ATOM 498 CA SER A 35 -1.662 -17.684 1.704 1.00 2.38 C ATOM 499 C SER A 35 -1.722 -16.197 1.359 1.00 2.12 C ATOM 500 O SER A 35 -2.180 -15.821 0.281 1.00 2.53 O ATOM 501 CB SER A 35 -2.033 -17.909 3.175 1.00 2.81 C ATOM 502 OG SER A 35 -3.322 -17.389 3.458 1.00 3.24 O ATOM 0 H SER A 35 -0.333 -18.858 0.593 1.00 2.23 H new ATOM 0 HA SER A 35 -2.390 -18.206 1.083 1.00 2.38 H new ATOM 0 HB2 SER A 35 -2.009 -18.975 3.401 1.00 2.81 H new ATOM 0 HB3 SER A 35 -1.294 -17.430 3.818 1.00 2.81 H new ATOM 0 HG SER A 35 -3.538 -17.545 4.401 1.00 3.24 H new ATOM 508 N ARG A 36 -1.265 -15.358 2.279 1.00 2.05 N ATOM 509 CA ARG A 36 -1.273 -13.918 2.079 1.00 2.00 C ATOM 510 C ARG A 36 0.138 -13.399 1.854 1.00 2.04 C ATOM 511 O ARG A 36 0.542 -12.399 2.447 1.00 2.72 O ATOM 512 CB ARG A 36 -1.902 -13.237 3.300 1.00 2.08 C ATOM 513 CG ARG A 36 -2.884 -12.112 2.986 1.00 1.74 C ATOM 514 CD ARG A 36 -3.753 -12.454 1.778 1.00 2.68 C ATOM 515 NE ARG A 36 -4.082 -13.876 1.711 1.00 3.20 N ATOM 516 CZ ARG A 36 -4.503 -14.489 0.607 1.00 3.94 C ATOM 517 NH1 ARG A 36 -4.643 -13.811 -0.526 1.00 4.27 N ATOM 518 NH2 ARG A 36 -4.784 -15.785 0.635 1.00 4.76 N ATOM 0 H ARG A 36 -0.882 -15.654 3.177 1.00 2.05 H new ATOM 0 HA ARG A 36 -1.863 -13.687 1.192 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -2.418 -13.993 3.891 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -1.103 -12.836 3.923 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -3.519 -11.928 3.853 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -2.335 -11.191 2.792 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -4.674 -11.873 1.821 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -3.233 -12.161 0.866 1.00 2.68 H new ATOM 0 HE ARG A 36 -3.983 -14.432 2.560 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -4.427 -12.814 -0.554 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -4.966 -14.287 -1.368 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -4.677 -16.311 1.502 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -5.107 -16.255 -0.211 1.00 4.76 H new ATOM 532 N GLY A 37 0.886 -14.088 0.995 1.00 1.75 N ATOM 533 CA GLY A 37 2.250 -13.680 0.702 1.00 2.21 C ATOM 534 C GLY A 37 3.025 -13.326 1.954 1.00 1.79 C ATOM 535 O GLY A 37 3.582 -14.199 2.615 1.00 2.20 O ATOM 0 H GLY A 37 0.572 -14.921 0.497 1.00 1.75 H new ATOM 0 HA2 GLY A 37 2.763 -14.485 0.175 1.00 2.21 H new ATOM 0 HA3 GLY A 37 2.234 -12.820 0.032 1.00 2.21 H new ATOM 539 N LYS A 38 3.049 -12.041 2.289 1.00 1.40 N ATOM 540 CA LYS A 38 3.751 -11.583 3.480 1.00 1.39 C ATOM 541 C LYS A 38 3.072 -10.371 4.098 1.00 1.23 C ATOM 542 O LYS A 38 2.133 -9.804 3.544 1.00 1.86 O ATOM 543 CB LYS A 38 5.204 -11.220 3.162 1.00 1.66 C ATOM 544 CG LYS A 38 5.901 -12.205 2.248 1.00 2.44 C ATOM 545 CD LYS A 38 5.636 -11.884 0.789 1.00 3.26 C ATOM 546 CE LYS A 38 5.637 -13.140 -0.068 1.00 4.06 C ATOM 547 NZ LYS A 38 6.785 -14.033 0.254 1.00 4.85 N ATOM 0 H LYS A 38 2.592 -11.302 1.755 1.00 1.40 H new ATOM 0 HA LYS A 38 3.728 -12.409 4.191 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.228 -10.233 2.701 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.762 -11.149 4.096 1.00 1.66 H new ATOM 0 HG2 LYS A 38 6.974 -12.185 2.438 1.00 2.44 H new ATOM 0 HG3 LYS A 38 5.557 -13.216 2.469 1.00 2.44 H new ATOM 0 HD2 LYS A 38 4.674 -11.379 0.695 1.00 3.26 H new ATOM 0 HD3 LYS A 38 6.396 -11.193 0.424 1.00 3.26 H new ATOM 0 HE2 LYS A 38 4.703 -13.682 0.081 1.00 4.06 H new ATOM 0 HE3 LYS A 38 5.679 -12.861 -1.121 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 7.245 -14.339 -0.627 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 7.471 -13.518 0.842 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 6.442 -14.866 0.773 1.00 4.85 H new ATOM 561 N VAL A 39 3.593 -9.978 5.249 1.00 0.90 N ATOM 562 CA VAL A 39 3.109 -8.816 5.988 1.00 0.75 C ATOM 563 C VAL A 39 2.939 -7.607 5.067 1.00 0.80 C ATOM 564 O VAL A 39 1.893 -6.959 5.057 1.00 1.62 O ATOM 565 CB VAL A 39 4.090 -8.464 7.145 1.00 0.73 C ATOM 566 CG1 VAL A 39 5.467 -8.999 6.867 1.00 0.77 C ATOM 567 CG2 VAL A 39 4.171 -6.973 7.391 1.00 0.82 C ATOM 0 H VAL A 39 4.370 -10.458 5.703 1.00 0.90 H new ATOM 0 HA VAL A 39 2.135 -9.069 6.407 1.00 0.75 H new ATOM 0 HB VAL A 39 3.692 -8.937 8.043 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.132 -8.739 7.691 1.00 0.77 H new ATOM 0 HG12 VAL A 39 5.422 -10.083 6.765 1.00 0.77 H new ATOM 0 HG13 VAL A 39 5.847 -8.563 5.943 1.00 0.77 H new ATOM 0 HG21 VAL A 39 4.867 -6.776 8.206 1.00 0.82 H new ATOM 0 HG22 VAL A 39 4.520 -6.474 6.487 1.00 0.82 H new ATOM 0 HG23 VAL A 39 3.184 -6.594 7.657 1.00 0.82 H new ATOM 577 N VAL A 40 3.993 -7.312 4.312 1.00 1.00 N ATOM 578 CA VAL A 40 4.022 -6.176 3.385 1.00 0.94 C ATOM 579 C VAL A 40 3.192 -4.997 3.867 1.00 0.99 C ATOM 580 O VAL A 40 2.270 -4.546 3.186 1.00 1.40 O ATOM 581 CB VAL A 40 3.572 -6.536 1.959 1.00 1.03 C ATOM 582 CG1 VAL A 40 4.777 -6.857 1.104 1.00 1.25 C ATOM 583 CG2 VAL A 40 2.576 -7.685 1.957 1.00 1.31 C ATOM 0 H VAL A 40 4.857 -7.854 4.323 1.00 1.00 H new ATOM 0 HA VAL A 40 5.074 -5.890 3.358 1.00 0.94 H new ATOM 0 HB VAL A 40 3.060 -5.672 1.535 1.00 1.03 H new ATOM 0 HG11 VAL A 40 4.450 -7.111 0.096 1.00 1.25 H new ATOM 0 HG12 VAL A 40 5.436 -5.990 1.064 1.00 1.25 H new ATOM 0 HG13 VAL A 40 5.314 -7.702 1.535 1.00 1.25 H new ATOM 0 HG21 VAL A 40 2.282 -7.910 0.932 1.00 1.31 H new ATOM 0 HG22 VAL A 40 3.036 -8.566 2.404 1.00 1.31 H new ATOM 0 HG23 VAL A 40 1.695 -7.404 2.534 1.00 1.31 H new ATOM 593 N GLU A 41 3.552 -4.472 5.018 1.00 1.12 N ATOM 594 CA GLU A 41 2.872 -3.314 5.554 1.00 1.31 C ATOM 595 C GLU A 41 3.167 -2.115 4.660 1.00 1.09 C ATOM 596 O GLU A 41 4.134 -1.377 4.875 1.00 1.20 O ATOM 597 CB GLU A 41 3.313 -3.034 6.987 1.00 1.75 C ATOM 598 CG GLU A 41 2.571 -3.862 8.025 1.00 2.24 C ATOM 599 CD GLU A 41 2.025 -3.024 9.164 1.00 2.85 C ATOM 600 OE1 GLU A 41 2.833 -2.394 9.878 1.00 3.33 O ATOM 601 OE2 GLU A 41 0.789 -2.997 9.342 1.00 3.41 O ATOM 0 H GLU A 41 4.311 -4.828 5.600 1.00 1.12 H new ATOM 0 HA GLU A 41 1.799 -3.505 5.574 1.00 1.31 H new ATOM 0 HB2 GLU A 41 4.382 -3.230 7.074 1.00 1.75 H new ATOM 0 HB3 GLU A 41 3.164 -1.976 7.204 1.00 1.75 H new ATOM 0 HG2 GLU A 41 1.749 -4.390 7.542 1.00 2.24 H new ATOM 0 HG3 GLU A 41 3.244 -4.620 8.427 1.00 2.24 H new ATOM 608 N LEU A 42 2.340 -1.960 3.638 1.00 1.16 N ATOM 609 CA LEU A 42 2.483 -0.878 2.670 1.00 1.39 C ATOM 610 C LEU A 42 2.089 0.464 3.297 1.00 1.07 C ATOM 611 O LEU A 42 1.049 0.570 3.946 1.00 1.33 O ATOM 612 CB LEU A 42 1.616 -1.195 1.439 1.00 2.10 C ATOM 613 CG LEU A 42 1.035 0.001 0.680 1.00 2.81 C ATOM 614 CD1 LEU A 42 0.968 -0.300 -0.811 1.00 3.51 C ATOM 615 CD2 LEU A 42 -0.348 0.345 1.208 1.00 3.51 C ATOM 0 H LEU A 42 1.550 -2.579 3.454 1.00 1.16 H new ATOM 0 HA LEU A 42 3.525 -0.796 2.361 1.00 1.39 H new ATOM 0 HB2 LEU A 42 2.216 -1.781 0.743 1.00 2.10 H new ATOM 0 HB3 LEU A 42 0.789 -1.829 1.759 1.00 2.10 H new ATOM 0 HG LEU A 42 1.690 0.859 0.835 1.00 2.81 H new ATOM 0 HD11 LEU A 42 0.553 0.559 -1.337 1.00 3.51 H new ATOM 0 HD12 LEU A 42 1.971 -0.506 -1.186 1.00 3.51 H new ATOM 0 HD13 LEU A 42 0.333 -1.170 -0.978 1.00 3.51 H new ATOM 0 HD21 LEU A 42 -0.746 1.197 0.657 1.00 3.51 H new ATOM 0 HD22 LEU A 42 -1.010 -0.511 1.079 1.00 3.51 H new ATOM 0 HD23 LEU A 42 -0.281 0.596 2.267 1.00 3.51 H new ATOM 627 N GLY A 43 2.932 1.481 3.111 1.00 0.94 N ATOM 628 CA GLY A 43 2.650 2.786 3.674 1.00 1.07 C ATOM 629 C GLY A 43 3.352 3.906 2.928 1.00 0.96 C ATOM 630 O GLY A 43 3.525 3.841 1.709 1.00 1.16 O ATOM 0 H GLY A 43 3.802 1.421 2.581 1.00 0.94 H new ATOM 0 HA2 GLY A 43 1.574 2.961 3.656 1.00 1.07 H new ATOM 0 HA3 GLY A 43 2.958 2.801 4.719 1.00 1.07 H new ATOM 634 N CYS A 44 3.753 4.936 3.664 1.00 0.84 N ATOM 635 CA CYS A 44 4.433 6.086 3.068 1.00 0.76 C ATOM 636 C CYS A 44 5.525 6.636 3.995 1.00 0.86 C ATOM 637 O CYS A 44 5.332 6.729 5.206 1.00 1.07 O ATOM 638 CB CYS A 44 3.407 7.176 2.746 1.00 0.81 C ATOM 639 SG CYS A 44 4.019 8.487 1.643 1.00 1.35 S ATOM 0 H CYS A 44 3.621 5.001 4.673 1.00 0.84 H new ATOM 0 HA CYS A 44 4.919 5.760 2.148 1.00 0.76 H new ATOM 0 HB2 CYS A 44 2.534 6.711 2.288 1.00 0.81 H new ATOM 0 HB3 CYS A 44 3.073 7.630 3.679 1.00 0.81 H new ATOM 644 N ALA A 45 6.676 6.994 3.413 1.00 0.87 N ATOM 645 CA ALA A 45 7.801 7.529 4.187 1.00 1.04 C ATOM 646 C ALA A 45 8.504 8.669 3.444 1.00 1.05 C ATOM 647 O ALA A 45 8.630 8.637 2.223 1.00 1.16 O ATOM 648 CB ALA A 45 8.789 6.418 4.509 1.00 1.21 C ATOM 0 H ALA A 45 6.852 6.923 2.411 1.00 0.87 H new ATOM 0 HA ALA A 45 7.405 7.936 5.117 1.00 1.04 H new ATOM 0 HB1 ALA A 45 9.620 6.826 5.084 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.289 5.645 5.092 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.166 5.986 3.582 1.00 1.21 H new ATOM 654 N ALA A 46 8.952 9.680 4.195 1.00 1.25 N ATOM 655 CA ALA A 46 9.628 10.844 3.629 1.00 1.34 C ATOM 656 C ALA A 46 10.661 10.471 2.572 1.00 1.36 C ATOM 657 O ALA A 46 10.647 11.009 1.466 1.00 1.78 O ATOM 658 CB ALA A 46 10.286 11.654 4.737 1.00 1.57 C ATOM 0 H ALA A 46 8.855 9.711 5.210 1.00 1.25 H new ATOM 0 HA ALA A 46 8.866 11.444 3.132 1.00 1.34 H new ATOM 0 HB1 ALA A 46 10.788 12.520 4.306 1.00 1.57 H new ATOM 0 HB2 ALA A 46 9.526 11.989 5.443 1.00 1.57 H new ATOM 0 HB3 ALA A 46 11.016 11.034 5.257 1.00 1.57 H new ATOM 664 N THR A 47 11.563 9.564 2.918 1.00 1.21 N ATOM 665 CA THR A 47 12.605 9.144 1.989 1.00 1.35 C ATOM 666 C THR A 47 13.243 7.830 2.423 1.00 1.45 C ATOM 667 O THR A 47 13.372 7.553 3.617 1.00 2.27 O ATOM 668 CB THR A 47 13.679 10.229 1.874 1.00 1.55 C ATOM 669 OG1 THR A 47 13.663 11.071 3.013 1.00 2.06 O ATOM 670 CG2 THR A 47 13.515 11.109 0.652 1.00 2.18 C ATOM 0 H THR A 47 11.596 9.107 3.829 1.00 1.21 H new ATOM 0 HA THR A 47 12.139 8.989 1.016 1.00 1.35 H new ATOM 0 HB THR A 47 14.624 9.692 1.791 1.00 1.55 H new ATOM 0 HG1 THR A 47 14.357 11.757 2.922 1.00 2.06 H new ATOM 0 HG21 THR A 47 14.309 11.856 0.632 1.00 2.18 H new ATOM 0 HG22 THR A 47 13.571 10.496 -0.248 1.00 2.18 H new ATOM 0 HG23 THR A 47 12.547 11.609 0.691 1.00 2.18 H new ATOM 678 N CYS A 48 13.637 7.024 1.443 1.00 1.30 N ATOM 679 CA CYS A 48 14.264 5.730 1.708 1.00 1.60 C ATOM 680 C CYS A 48 14.424 4.931 0.415 1.00 1.50 C ATOM 681 O CYS A 48 13.789 3.891 0.235 1.00 1.89 O ATOM 682 CB CYS A 48 13.438 4.923 2.718 1.00 2.23 C ATOM 683 SG CYS A 48 11.636 5.174 2.591 1.00 2.27 S ATOM 0 H CYS A 48 13.533 7.244 0.452 1.00 1.30 H new ATOM 0 HA CYS A 48 15.251 5.917 2.130 1.00 1.60 H new ATOM 0 HB2 CYS A 48 13.655 3.864 2.582 1.00 2.23 H new ATOM 0 HB3 CYS A 48 13.759 5.188 3.725 1.00 2.23 H new ATOM 688 N PRO A 49 15.278 5.409 -0.508 1.00 1.67 N ATOM 689 CA PRO A 49 15.514 4.734 -1.789 1.00 2.01 C ATOM 690 C PRO A 49 16.162 3.364 -1.613 1.00 1.97 C ATOM 691 O PRO A 49 16.181 2.809 -0.515 1.00 2.38 O ATOM 692 CB PRO A 49 16.461 5.681 -2.531 1.00 2.64 C ATOM 693 CG PRO A 49 17.105 6.493 -1.462 1.00 2.84 C ATOM 694 CD PRO A 49 16.076 6.640 -0.378 1.00 2.20 C ATOM 0 HA PRO A 49 14.582 4.543 -2.321 1.00 2.01 H new ATOM 0 HB2 PRO A 49 17.202 5.127 -3.107 1.00 2.64 H new ATOM 0 HB3 PRO A 49 15.918 6.313 -3.234 1.00 2.64 H new ATOM 0 HG2 PRO A 49 18.002 6.001 -1.085 1.00 2.84 H new ATOM 0 HG3 PRO A 49 17.412 7.467 -1.843 1.00 2.84 H new ATOM 0 HD2 PRO A 49 16.536 6.720 0.607 1.00 2.20 H new ATOM 0 HD3 PRO A 49 15.466 7.533 -0.519 1.00 2.20 H new ATOM 702 N SER A 50 16.687 2.826 -2.709 1.00 2.11 N ATOM 703 CA SER A 50 17.335 1.519 -2.689 1.00 2.30 C ATOM 704 C SER A 50 18.467 1.479 -1.664 1.00 1.95 C ATOM 705 O SER A 50 19.114 2.491 -1.395 1.00 2.12 O ATOM 706 CB SER A 50 17.878 1.177 -4.077 1.00 3.06 C ATOM 707 OG SER A 50 17.757 -0.209 -4.347 1.00 3.47 O ATOM 0 H SER A 50 16.676 3.276 -3.624 1.00 2.11 H new ATOM 0 HA SER A 50 16.588 0.779 -2.402 1.00 2.30 H new ATOM 0 HB2 SER A 50 17.337 1.746 -4.833 1.00 3.06 H new ATOM 0 HB3 SER A 50 18.925 1.473 -4.144 1.00 3.06 H new ATOM 0 HG SER A 50 18.110 -0.400 -5.241 1.00 3.47 H new ATOM 713 N LYS A 51 18.696 0.300 -1.097 1.00 1.81 N ATOM 714 CA LYS A 51 19.742 0.115 -0.102 1.00 1.81 C ATOM 715 C LYS A 51 19.932 -1.373 0.184 1.00 1.86 C ATOM 716 O LYS A 51 19.528 -2.218 -0.614 1.00 2.42 O ATOM 717 CB LYS A 51 19.382 0.870 1.185 1.00 2.17 C ATOM 718 CG LYS A 51 18.164 0.309 1.902 1.00 2.27 C ATOM 719 CD LYS A 51 18.196 0.631 3.389 1.00 2.64 C ATOM 720 CE LYS A 51 17.167 1.690 3.754 1.00 3.02 C ATOM 721 NZ LYS A 51 15.894 1.085 4.234 1.00 3.62 N ATOM 0 H LYS A 51 18.167 -0.545 -1.312 1.00 1.81 H new ATOM 0 HA LYS A 51 20.679 0.517 -0.489 1.00 1.81 H new ATOM 0 HB2 LYS A 51 20.236 0.843 1.862 1.00 2.17 H new ATOM 0 HB3 LYS A 51 19.200 1.917 0.943 1.00 2.17 H new ATOM 0 HG2 LYS A 51 17.257 0.721 1.459 1.00 2.27 H new ATOM 0 HG3 LYS A 51 18.124 -0.771 1.763 1.00 2.27 H new ATOM 0 HD2 LYS A 51 18.005 -0.276 3.963 1.00 2.64 H new ATOM 0 HD3 LYS A 51 19.191 0.979 3.665 1.00 2.64 H new ATOM 0 HE2 LYS A 51 17.574 2.340 4.528 1.00 3.02 H new ATOM 0 HE3 LYS A 51 16.966 2.316 2.885 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 15.219 1.840 4.472 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 15.492 0.484 3.486 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 16.081 0.508 5.079 1.00 3.62 H new ATOM 735 N LYS A 52 20.533 -1.691 1.323 1.00 1.89 N ATOM 736 CA LYS A 52 20.752 -3.082 1.703 1.00 2.02 C ATOM 737 C LYS A 52 19.802 -3.470 2.834 1.00 1.85 C ATOM 738 O LYS A 52 20.210 -3.566 3.992 1.00 2.17 O ATOM 739 CB LYS A 52 22.207 -3.311 2.131 1.00 2.50 C ATOM 740 CG LYS A 52 22.868 -2.096 2.768 1.00 2.79 C ATOM 741 CD LYS A 52 22.246 -1.762 4.116 1.00 2.92 C ATOM 742 CE LYS A 52 23.095 -0.767 4.889 1.00 2.95 C ATOM 743 NZ LYS A 52 23.123 0.570 4.234 1.00 3.19 N ATOM 0 H LYS A 52 20.877 -1.008 1.998 1.00 1.89 H new ATOM 0 HA LYS A 52 20.550 -3.711 0.836 1.00 2.02 H new ATOM 0 HB2 LYS A 52 22.240 -4.141 2.837 1.00 2.50 H new ATOM 0 HB3 LYS A 52 22.788 -3.611 1.259 1.00 2.50 H new ATOM 0 HG2 LYS A 52 23.934 -2.286 2.896 1.00 2.79 H new ATOM 0 HG3 LYS A 52 22.775 -1.239 2.101 1.00 2.79 H new ATOM 0 HD2 LYS A 52 21.248 -1.351 3.966 1.00 2.92 H new ATOM 0 HD3 LYS A 52 22.130 -2.675 4.701 1.00 2.92 H new ATOM 0 HE2 LYS A 52 22.704 -0.667 5.902 1.00 2.95 H new ATOM 0 HE3 LYS A 52 24.112 -1.149 4.976 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 23.713 1.218 4.794 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 23.520 0.479 3.277 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 22.156 0.947 4.173 1.00 3.19 H new ATOM 757 N PRO A 53 18.513 -3.686 2.515 1.00 1.54 N ATOM 758 CA PRO A 53 17.509 -4.047 3.514 1.00 1.53 C ATOM 759 C PRO A 53 17.628 -5.480 3.994 1.00 1.70 C ATOM 760 O PRO A 53 17.447 -5.758 5.180 1.00 2.18 O ATOM 761 CB PRO A 53 16.184 -3.868 2.772 1.00 1.31 C ATOM 762 CG PRO A 53 16.526 -4.102 1.345 1.00 1.55 C ATOM 763 CD PRO A 53 17.928 -3.581 1.162 1.00 1.49 C ATOM 0 HA PRO A 53 17.615 -3.436 4.410 1.00 1.53 H new ATOM 0 HB2 PRO A 53 15.433 -4.577 3.122 1.00 1.31 H new ATOM 0 HB3 PRO A 53 15.775 -2.869 2.924 1.00 1.31 H new ATOM 0 HG2 PRO A 53 16.469 -5.162 1.099 1.00 1.55 H new ATOM 0 HG3 PRO A 53 15.828 -3.584 0.687 1.00 1.55 H new ATOM 0 HD2 PRO A 53 18.485 -4.174 0.436 1.00 1.49 H new ATOM 0 HD3 PRO A 53 17.930 -2.552 0.802 1.00 1.49 H new ATOM 771 N TYR A 54 17.884 -6.401 3.068 1.00 1.87 N ATOM 772 CA TYR A 54 17.964 -7.814 3.422 1.00 2.10 C ATOM 773 C TYR A 54 16.727 -8.163 4.242 1.00 1.75 C ATOM 774 O TYR A 54 16.776 -8.973 5.167 1.00 2.06 O ATOM 775 CB TYR A 54 19.238 -8.104 4.218 1.00 2.60 C ATOM 776 CG TYR A 54 20.507 -7.816 3.448 1.00 3.05 C ATOM 777 CD1 TYR A 54 20.686 -8.305 2.159 1.00 3.32 C ATOM 778 CD2 TYR A 54 21.526 -7.055 4.007 1.00 3.73 C ATOM 779 CE1 TYR A 54 21.842 -8.042 1.450 1.00 3.91 C ATOM 780 CE2 TYR A 54 22.685 -6.787 3.304 1.00 4.38 C ATOM 781 CZ TYR A 54 22.838 -7.284 2.027 1.00 4.33 C ATOM 782 OH TYR A 54 23.992 -7.021 1.323 1.00 5.08 O ATOM 0 H TYR A 54 18.038 -6.198 2.080 1.00 1.87 H new ATOM 0 HA TYR A 54 18.001 -8.423 2.519 1.00 2.10 H new ATOM 0 HB2 TYR A 54 19.232 -7.506 5.130 1.00 2.60 H new ATOM 0 HB3 TYR A 54 19.237 -9.151 4.523 1.00 2.60 H new ATOM 0 HD1 TYR A 54 19.908 -8.901 1.704 1.00 3.32 H new ATOM 0 HD2 TYR A 54 21.410 -6.666 5.008 1.00 3.73 H new ATOM 0 HE1 TYR A 54 21.965 -8.428 0.449 1.00 3.91 H new ATOM 0 HE2 TYR A 54 23.467 -6.192 3.752 1.00 4.38 H new ATOM 0 HH TYR A 54 24.592 -6.473 1.871 1.00 5.08 H new ATOM 792 N GLU A 55 15.631 -7.477 3.891 1.00 1.38 N ATOM 793 CA GLU A 55 14.336 -7.590 4.554 1.00 1.41 C ATOM 794 C GLU A 55 14.085 -6.313 5.342 1.00 1.82 C ATOM 795 O GLU A 55 14.386 -6.231 6.532 1.00 2.76 O ATOM 796 CB GLU A 55 14.246 -8.815 5.473 1.00 1.83 C ATOM 797 CG GLU A 55 12.855 -9.052 6.033 1.00 2.25 C ATOM 798 CD GLU A 55 12.861 -9.987 7.227 1.00 2.84 C ATOM 799 OE1 GLU A 55 13.083 -11.200 7.030 1.00 3.23 O ATOM 800 OE2 GLU A 55 12.643 -9.503 8.358 1.00 3.44 O ATOM 0 H GLU A 55 15.626 -6.812 3.117 1.00 1.38 H new ATOM 0 HA GLU A 55 13.571 -7.726 3.790 1.00 1.41 H new ATOM 0 HB2 GLU A 55 14.561 -9.699 4.919 1.00 1.83 H new ATOM 0 HB3 GLU A 55 14.945 -8.691 6.300 1.00 1.83 H new ATOM 0 HG2 GLU A 55 12.417 -8.098 6.325 1.00 2.25 H new ATOM 0 HG3 GLU A 55 12.219 -9.469 5.252 1.00 2.25 H new ATOM 807 N GLU A 56 13.555 -5.308 4.652 1.00 1.48 N ATOM 808 CA GLU A 56 13.286 -4.013 5.257 1.00 2.23 C ATOM 809 C GLU A 56 12.233 -3.265 4.447 1.00 1.95 C ATOM 810 O GLU A 56 11.247 -3.863 4.016 1.00 2.10 O ATOM 811 CB GLU A 56 14.586 -3.206 5.355 1.00 3.00 C ATOM 812 CG GLU A 56 14.611 -2.232 6.522 1.00 3.90 C ATOM 813 CD GLU A 56 15.275 -2.815 7.753 1.00 4.81 C ATOM 814 OE1 GLU A 56 14.951 -3.967 8.113 1.00 5.45 O ATOM 815 OE2 GLU A 56 16.121 -2.122 8.356 1.00 5.23 O ATOM 0 H GLU A 56 13.302 -5.369 3.666 1.00 1.48 H new ATOM 0 HA GLU A 56 12.896 -4.157 6.264 1.00 2.23 H new ATOM 0 HB2 GLU A 56 15.425 -3.895 5.450 1.00 3.00 H new ATOM 0 HB3 GLU A 56 14.731 -2.652 4.427 1.00 3.00 H new ATOM 0 HG2 GLU A 56 15.139 -1.326 6.223 1.00 3.90 H new ATOM 0 HG3 GLU A 56 13.590 -1.939 6.768 1.00 3.90 H new ATOM 822 N VAL A 57 12.419 -1.964 4.248 1.00 1.67 N ATOM 823 CA VAL A 57 11.440 -1.186 3.493 1.00 1.42 C ATOM 824 C VAL A 57 12.028 -0.602 2.215 1.00 1.40 C ATOM 825 O VAL A 57 13.024 0.122 2.246 1.00 1.59 O ATOM 826 CB VAL A 57 10.850 -0.038 4.335 1.00 1.41 C ATOM 827 CG1 VAL A 57 9.566 0.484 3.702 1.00 1.30 C ATOM 828 CG2 VAL A 57 10.599 -0.492 5.766 1.00 1.54 C ATOM 0 H VAL A 57 13.220 -1.434 4.590 1.00 1.67 H new ATOM 0 HA VAL A 57 10.648 -1.887 3.229 1.00 1.42 H new ATOM 0 HB VAL A 57 11.575 0.775 4.360 1.00 1.41 H new ATOM 0 HG11 VAL A 57 9.164 1.294 4.310 1.00 1.30 H new ATOM 0 HG12 VAL A 57 9.779 0.854 2.699 1.00 1.30 H new ATOM 0 HG13 VAL A 57 8.835 -0.323 3.643 1.00 1.30 H new ATOM 0 HG21 VAL A 57 10.183 0.334 6.342 1.00 1.54 H new ATOM 0 HG22 VAL A 57 9.896 -1.325 5.765 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.539 -0.811 6.217 1.00 1.54 H new ATOM 838 N THR A 58 11.378 -0.902 1.096 1.00 1.27 N ATOM 839 CA THR A 58 11.799 -0.393 -0.204 1.00 1.34 C ATOM 840 C THR A 58 10.892 0.762 -0.607 1.00 1.12 C ATOM 841 O THR A 58 9.669 0.614 -0.639 1.00 1.30 O ATOM 842 CB THR A 58 11.744 -1.501 -1.259 1.00 1.50 C ATOM 843 OG1 THR A 58 11.821 -2.776 -0.649 1.00 2.10 O ATOM 844 CG2 THR A 58 12.858 -1.412 -2.279 1.00 1.84 C ATOM 0 H THR A 58 10.552 -1.499 1.064 1.00 1.27 H new ATOM 0 HA THR A 58 12.828 -0.041 -0.134 1.00 1.34 H new ATOM 0 HB THR A 58 10.792 -1.365 -1.772 1.00 1.50 H new ATOM 0 HG1 THR A 58 11.783 -3.471 -1.338 1.00 2.10 H new ATOM 0 HG21 THR A 58 12.760 -2.226 -2.997 1.00 1.84 H new ATOM 0 HG22 THR A 58 12.797 -0.458 -2.802 1.00 1.84 H new ATOM 0 HG23 THR A 58 13.821 -1.488 -1.774 1.00 1.84 H new ATOM 852 N CYS A 59 11.481 1.919 -0.878 1.00 0.96 N ATOM 853 CA CYS A 59 10.692 3.095 -1.235 1.00 0.91 C ATOM 854 C CYS A 59 11.036 3.619 -2.625 1.00 0.85 C ATOM 855 O CYS A 59 11.911 3.085 -3.306 1.00 0.97 O ATOM 856 CB CYS A 59 10.903 4.193 -0.192 1.00 1.12 C ATOM 857 SG CYS A 59 11.004 3.573 1.519 1.00 1.76 S ATOM 0 H CYS A 59 12.490 2.070 -0.859 1.00 0.96 H new ATOM 0 HA CYS A 59 9.644 2.797 -1.252 1.00 0.91 H new ATOM 0 HB2 CYS A 59 11.820 4.733 -0.427 1.00 1.12 H new ATOM 0 HB3 CYS A 59 10.084 4.909 -0.261 1.00 1.12 H new ATOM 862 N CYS A 60 10.332 4.673 -3.034 1.00 0.81 N ATOM 863 CA CYS A 60 10.547 5.282 -4.342 1.00 0.92 C ATOM 864 C CYS A 60 9.883 6.654 -4.414 1.00 1.07 C ATOM 865 O CYS A 60 8.703 6.802 -4.087 1.00 1.18 O ATOM 866 CB CYS A 60 10.012 4.377 -5.459 1.00 1.06 C ATOM 867 SG CYS A 60 8.576 3.354 -4.987 1.00 1.28 S ATOM 0 H CYS A 60 9.606 5.123 -2.476 1.00 0.81 H new ATOM 0 HA CYS A 60 11.621 5.407 -4.482 1.00 0.92 H new ATOM 0 HB2 CYS A 60 9.734 4.998 -6.310 1.00 1.06 H new ATOM 0 HB3 CYS A 60 10.815 3.720 -5.792 1.00 1.06 H new ATOM 872 N SER A 61 10.653 7.652 -4.841 1.00 1.42 N ATOM 873 CA SER A 61 10.159 9.020 -4.955 1.00 1.75 C ATOM 874 C SER A 61 9.109 9.140 -6.054 1.00 1.50 C ATOM 875 O SER A 61 9.409 9.562 -7.170 1.00 2.04 O ATOM 876 CB SER A 61 11.318 9.976 -5.243 1.00 2.45 C ATOM 877 OG SER A 61 12.463 9.631 -4.483 1.00 3.07 O ATOM 0 H SER A 61 11.629 7.536 -5.115 1.00 1.42 H new ATOM 0 HA SER A 61 9.694 9.287 -4.006 1.00 1.75 H new ATOM 0 HB2 SER A 61 11.561 9.949 -6.305 1.00 2.45 H new ATOM 0 HB3 SER A 61 11.017 10.998 -5.011 1.00 2.45 H new ATOM 0 HG SER A 61 13.191 10.255 -4.686 1.00 3.07 H new ATOM 883 N THR A 62 7.876 8.767 -5.730 1.00 1.19 N ATOM 884 CA THR A 62 6.784 8.833 -6.680 1.00 1.51 C ATOM 885 C THR A 62 5.451 8.641 -5.960 1.00 1.17 C ATOM 886 O THR A 62 5.352 8.843 -4.750 1.00 1.76 O ATOM 887 CB THR A 62 6.962 7.770 -7.771 1.00 2.24 C ATOM 888 OG1 THR A 62 8.257 7.196 -7.715 1.00 2.63 O ATOM 889 CG2 THR A 62 6.761 8.312 -9.169 1.00 3.17 C ATOM 0 H THR A 62 7.612 8.415 -4.810 1.00 1.19 H new ATOM 0 HA THR A 62 6.788 9.815 -7.152 1.00 1.51 H new ATOM 0 HB THR A 62 6.194 7.023 -7.571 1.00 2.24 H new ATOM 0 HG1 THR A 62 8.346 6.520 -8.419 1.00 2.63 H new ATOM 0 HG21 THR A 62 6.901 7.510 -9.894 1.00 3.17 H new ATOM 0 HG22 THR A 62 5.752 8.713 -9.262 1.00 3.17 H new ATOM 0 HG23 THR A 62 7.485 9.104 -9.360 1.00 3.17 H new ATOM 897 N ASP A 63 4.439 8.241 -6.711 1.00 1.15 N ATOM 898 CA ASP A 63 3.116 8.004 -6.163 1.00 1.03 C ATOM 899 C ASP A 63 2.920 6.514 -5.948 1.00 1.09 C ATOM 900 O ASP A 63 3.885 5.819 -5.656 1.00 1.65 O ATOM 901 CB ASP A 63 2.051 8.583 -7.101 1.00 1.37 C ATOM 902 CG ASP A 63 2.046 7.906 -8.458 1.00 1.72 C ATOM 903 OD1 ASP A 63 1.577 6.751 -8.545 1.00 2.35 O ATOM 904 OD2 ASP A 63 2.511 8.532 -9.434 1.00 2.19 O ATOM 0 H ASP A 63 4.512 8.072 -7.714 1.00 1.15 H new ATOM 0 HA ASP A 63 3.017 8.504 -5.200 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.069 8.476 -6.641 1.00 1.37 H new ATOM 0 HB3 ASP A 63 2.227 9.651 -7.231 1.00 1.37 H new ATOM 909 N LYS A 64 1.684 6.026 -6.085 1.00 0.90 N ATOM 910 CA LYS A 64 1.385 4.605 -5.897 1.00 0.95 C ATOM 911 C LYS A 64 2.441 3.729 -6.564 1.00 0.92 C ATOM 912 O LYS A 64 2.168 3.028 -7.539 1.00 1.04 O ATOM 913 CB LYS A 64 -0.006 4.268 -6.447 1.00 1.17 C ATOM 914 CG LYS A 64 -0.320 4.935 -7.777 1.00 1.41 C ATOM 915 CD LYS A 64 -1.681 4.509 -8.303 1.00 1.82 C ATOM 916 CE LYS A 64 -2.264 5.545 -9.253 1.00 2.05 C ATOM 917 NZ LYS A 64 -3.355 6.332 -8.616 1.00 2.31 N ATOM 0 H LYS A 64 0.873 6.596 -6.326 1.00 0.90 H new ATOM 0 HA LYS A 64 1.398 4.401 -4.826 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.087 3.187 -6.565 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -0.757 4.566 -5.716 1.00 1.17 H new ATOM 0 HG2 LYS A 64 -0.297 6.018 -7.657 1.00 1.41 H new ATOM 0 HG3 LYS A 64 0.450 4.679 -8.505 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -1.590 3.553 -8.818 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -2.363 4.357 -7.467 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -1.474 6.220 -9.582 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -2.648 5.046 -10.143 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -3.586 7.152 -9.213 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -4.198 5.733 -8.509 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -3.044 6.662 -7.680 1.00 2.31 H new ATOM 931 N CYS A 65 3.653 3.791 -6.026 1.00 0.87 N ATOM 932 CA CYS A 65 4.777 3.029 -6.545 1.00 0.95 C ATOM 933 C CYS A 65 5.008 1.760 -5.722 1.00 0.99 C ATOM 934 O CYS A 65 5.787 0.891 -6.116 1.00 1.20 O ATOM 935 CB CYS A 65 6.033 3.913 -6.541 1.00 1.07 C ATOM 936 SG CYS A 65 7.612 3.020 -6.744 1.00 1.10 S ATOM 0 H CYS A 65 3.882 4.371 -5.219 1.00 0.87 H new ATOM 0 HA CYS A 65 4.554 2.721 -7.567 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.944 4.647 -7.342 1.00 1.07 H new ATOM 0 HB3 CYS A 65 6.065 4.467 -5.603 1.00 1.07 H new ATOM 941 N ASN A 66 4.330 1.653 -4.577 1.00 0.97 N ATOM 942 CA ASN A 66 4.484 0.485 -3.721 1.00 1.10 C ATOM 943 C ASN A 66 3.243 -0.433 -3.692 1.00 1.10 C ATOM 944 O ASN A 66 3.144 -1.295 -2.818 1.00 1.36 O ATOM 945 CB ASN A 66 4.864 0.920 -2.298 1.00 1.36 C ATOM 946 CG ASN A 66 3.666 1.190 -1.403 1.00 1.42 C ATOM 947 OD1 ASN A 66 3.480 0.517 -0.390 1.00 2.26 O ATOM 948 ND2 ASN A 66 2.848 2.174 -1.766 1.00 1.30 N ATOM 0 H ASN A 66 3.677 2.355 -4.228 1.00 0.97 H new ATOM 0 HA ASN A 66 5.287 -0.110 -4.155 1.00 1.10 H new ATOM 0 HB2 ASN A 66 5.480 0.144 -1.842 1.00 1.36 H new ATOM 0 HB3 ASN A 66 5.475 1.821 -2.354 1.00 1.36 H new ATOM 0 HD21 ASN A 66 2.031 2.394 -1.197 1.00 1.30 H new ATOM 0 HD22 ASN A 66 3.038 2.708 -2.614 1.00 1.30 H new ATOM 955 N PRO A 67 2.285 -0.291 -4.637 1.00 1.16 N ATOM 956 CA PRO A 67 1.098 -1.150 -4.666 1.00 1.40 C ATOM 957 C PRO A 67 1.470 -2.627 -4.603 1.00 1.32 C ATOM 958 O PRO A 67 2.526 -3.027 -5.092 1.00 2.15 O ATOM 959 CB PRO A 67 0.445 -0.835 -6.014 1.00 1.82 C ATOM 960 CG PRO A 67 0.945 0.516 -6.393 1.00 1.96 C ATOM 961 CD PRO A 67 2.287 0.683 -5.739 1.00 1.39 C ATOM 0 HA PRO A 67 0.445 -0.966 -3.813 1.00 1.40 H new ATOM 0 HB2 PRO A 67 0.715 -1.578 -6.764 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -0.642 -0.843 -5.935 1.00 1.82 H new ATOM 0 HG2 PRO A 67 1.029 0.607 -7.476 1.00 1.96 H new ATOM 0 HG3 PRO A 67 0.254 1.291 -6.061 1.00 1.96 H new ATOM 0 HD2 PRO A 67 3.097 0.486 -6.441 1.00 1.39 H new ATOM 0 HD3 PRO A 67 2.425 1.699 -5.370 1.00 1.39 H new ATOM 969 N HIS A 68 0.603 -3.436 -4.006 1.00 1.17 N ATOM 970 CA HIS A 68 0.862 -4.865 -3.898 1.00 1.35 C ATOM 971 C HIS A 68 0.922 -5.505 -5.285 1.00 1.64 C ATOM 972 O HIS A 68 0.033 -5.295 -6.109 1.00 1.88 O ATOM 973 CB HIS A 68 -0.217 -5.545 -3.053 1.00 1.54 C ATOM 974 CG HIS A 68 0.255 -6.801 -2.391 1.00 1.41 C ATOM 975 ND1 HIS A 68 0.641 -7.923 -3.096 1.00 1.87 N ATOM 976 CD2 HIS A 68 0.411 -7.110 -1.082 1.00 1.36 C ATOM 977 CE1 HIS A 68 1.014 -8.866 -2.249 1.00 2.07 C ATOM 978 NE2 HIS A 68 0.886 -8.398 -1.023 1.00 1.71 N ATOM 0 H HIS A 68 -0.278 -3.130 -3.593 1.00 1.17 H new ATOM 0 HA HIS A 68 1.826 -5.000 -3.408 1.00 1.35 H new ATOM 0 HB2 HIS A 68 -0.564 -4.848 -2.290 1.00 1.54 H new ATOM 0 HB3 HIS A 68 -1.073 -5.776 -3.687 1.00 1.54 H new ATOM 0 HD1 HIS A 68 0.639 -8.011 -4.112 1.00 1.87 H new ATOM 0 HD2 HIS A 68 0.201 -6.465 -0.242 1.00 1.36 H new ATOM 0 HE1 HIS A 68 1.364 -9.852 -2.516 1.00 2.07 H new ATOM 987 N PRO A 69 1.976 -6.297 -5.566 1.00 2.29 N ATOM 988 CA PRO A 69 2.143 -6.958 -6.863 1.00 2.71 C ATOM 989 C PRO A 69 0.855 -7.609 -7.357 1.00 2.34 C ATOM 990 O PRO A 69 0.522 -8.729 -6.968 1.00 3.02 O ATOM 991 CB PRO A 69 3.206 -8.017 -6.576 1.00 3.76 C ATOM 992 CG PRO A 69 4.030 -7.428 -5.485 1.00 4.04 C ATOM 993 CD PRO A 69 3.090 -6.603 -4.644 1.00 3.10 C ATOM 0 HA PRO A 69 2.419 -6.256 -7.650 1.00 2.71 H new ATOM 0 HB2 PRO A 69 2.754 -8.960 -6.268 1.00 3.76 H new ATOM 0 HB3 PRO A 69 3.808 -8.226 -7.460 1.00 3.76 H new ATOM 0 HG2 PRO A 69 4.501 -8.209 -4.889 1.00 4.04 H new ATOM 0 HG3 PRO A 69 4.831 -6.811 -5.892 1.00 4.04 H new ATOM 0 HD2 PRO A 69 2.746 -7.154 -3.769 1.00 3.10 H new ATOM 0 HD3 PRO A 69 3.570 -5.695 -4.280 1.00 3.10 H new ATOM 1001 N LYS A 70 0.135 -6.899 -8.219 1.00 2.00 N ATOM 1002 CA LYS A 70 -1.118 -7.403 -8.770 1.00 2.33 C ATOM 1003 C LYS A 70 -1.073 -7.420 -10.295 1.00 2.26 C ATOM 1004 O LYS A 70 -1.933 -6.844 -10.960 1.00 2.99 O ATOM 1005 CB LYS A 70 -2.291 -6.544 -8.289 1.00 3.09 C ATOM 1006 CG LYS A 70 -2.649 -6.764 -6.828 1.00 3.73 C ATOM 1007 CD LYS A 70 -3.909 -7.600 -6.682 1.00 4.47 C ATOM 1008 CE LYS A 70 -5.140 -6.839 -7.147 1.00 5.07 C ATOM 1009 NZ LYS A 70 -5.650 -5.914 -6.097 1.00 5.67 N ATOM 0 H LYS A 70 0.398 -5.971 -8.552 1.00 2.00 H new ATOM 0 HA LYS A 70 -1.258 -8.425 -8.419 1.00 2.33 H new ATOM 0 HB2 LYS A 70 -2.046 -5.493 -8.440 1.00 3.09 H new ATOM 0 HB3 LYS A 70 -3.164 -6.759 -8.905 1.00 3.09 H new ATOM 0 HG2 LYS A 70 -1.822 -7.260 -6.321 1.00 3.73 H new ATOM 0 HG3 LYS A 70 -2.792 -5.801 -6.338 1.00 3.73 H new ATOM 0 HD2 LYS A 70 -3.807 -8.518 -7.261 1.00 4.47 H new ATOM 0 HD3 LYS A 70 -4.034 -7.893 -5.640 1.00 4.47 H new ATOM 0 HE2 LYS A 70 -4.898 -6.271 -8.045 1.00 5.07 H new ATOM 0 HE3 LYS A 70 -5.923 -7.547 -7.419 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 -6.490 -5.414 -6.453 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 -5.905 -6.459 -5.249 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 -4.912 -5.222 -5.855 1.00 5.67 H new ATOM 1023 N GLN A 71 -0.062 -8.087 -10.844 1.00 2.06 N ATOM 1024 CA GLN A 71 0.098 -8.178 -12.291 1.00 2.50 C ATOM 1025 C GLN A 71 -1.128 -8.819 -12.935 1.00 1.86 C ATOM 1026 O GLN A 71 -1.385 -10.010 -12.757 1.00 2.31 O ATOM 1027 CB GLN A 71 1.351 -8.987 -12.637 1.00 3.57 C ATOM 1028 CG GLN A 71 2.597 -8.134 -12.804 1.00 4.33 C ATOM 1029 CD GLN A 71 3.876 -8.936 -12.661 1.00 5.35 C ATOM 1030 OE1 GLN A 71 3.964 -10.073 -13.122 1.00 5.85 O ATOM 1031 NE2 GLN A 71 4.876 -8.344 -12.016 1.00 6.01 N ATOM 0 H GLN A 71 0.658 -8.572 -10.309 1.00 2.06 H new ATOM 0 HA GLN A 71 0.206 -7.167 -12.684 1.00 2.50 H new ATOM 0 HB2 GLN A 71 1.527 -9.723 -11.852 1.00 3.57 H new ATOM 0 HB3 GLN A 71 1.173 -9.541 -13.559 1.00 3.57 H new ATOM 0 HG2 GLN A 71 2.578 -7.658 -13.785 1.00 4.33 H new ATOM 0 HG3 GLN A 71 2.588 -7.335 -12.062 1.00 4.33 H new ATOM 0 HE21 GLN A 71 4.758 -7.399 -11.650 1.00 6.01 H new ATOM 0 HE22 GLN A 71 5.761 -8.835 -11.887 1.00 6.01 H new ATOM 1040 N ARG A 72 -1.883 -8.020 -13.683 1.00 1.67 N ATOM 1041 CA ARG A 72 -3.083 -8.508 -14.351 1.00 1.59 C ATOM 1042 C ARG A 72 -3.273 -7.816 -15.701 1.00 1.44 C ATOM 1043 O ARG A 72 -3.550 -6.619 -15.757 1.00 1.86 O ATOM 1044 CB ARG A 72 -4.311 -8.275 -13.471 1.00 2.48 C ATOM 1045 CG ARG A 72 -5.533 -9.065 -13.911 1.00 3.28 C ATOM 1046 CD ARG A 72 -6.324 -8.322 -14.975 1.00 4.14 C ATOM 1047 NE ARG A 72 -7.764 -8.494 -14.809 1.00 4.72 N ATOM 1048 CZ ARG A 72 -8.456 -8.001 -13.784 1.00 5.47 C ATOM 1049 NH1 ARG A 72 -7.844 -7.303 -12.836 1.00 5.75 N ATOM 1050 NH2 ARG A 72 -9.764 -8.203 -13.709 1.00 6.26 N ATOM 0 H ARG A 72 -1.684 -7.032 -13.841 1.00 1.67 H new ATOM 0 HA ARG A 72 -2.964 -9.578 -14.523 1.00 1.59 H new ATOM 0 HB2 ARG A 72 -4.067 -8.542 -12.443 1.00 2.48 H new ATOM 0 HB3 ARG A 72 -4.555 -7.213 -13.475 1.00 2.48 H new ATOM 0 HG2 ARG A 72 -5.220 -10.034 -14.299 1.00 3.28 H new ATOM 0 HG3 ARG A 72 -6.172 -9.258 -13.049 1.00 3.28 H new ATOM 0 HD2 ARG A 72 -6.079 -7.261 -14.933 1.00 4.14 H new ATOM 0 HD3 ARG A 72 -6.028 -8.679 -15.961 1.00 4.14 H new ATOM 0 HE ARG A 72 -8.270 -9.023 -15.520 1.00 4.72 H new ATOM 0 HH11 ARG A 72 -6.838 -7.142 -12.890 1.00 5.75 H new ATOM 0 HH12 ARG A 72 -8.379 -6.928 -12.053 1.00 5.75 H new ATOM 0 HH21 ARG A 72 -10.240 -8.736 -14.437 1.00 6.26 H new ATOM 0 HH22 ARG A 72 -10.294 -7.825 -12.924 1.00 6.26 H new ATOM 1064 N PRO A 73 -3.125 -8.560 -16.814 1.00 2.17 N ATOM 1065 CA PRO A 73 -3.284 -8.001 -18.160 1.00 2.96 C ATOM 1066 C PRO A 73 -4.727 -7.604 -18.455 1.00 2.97 C ATOM 1067 O PRO A 73 -5.562 -8.451 -18.772 1.00 3.20 O ATOM 1068 CB PRO A 73 -2.846 -9.144 -19.078 1.00 4.03 C ATOM 1069 CG PRO A 73 -3.064 -10.380 -18.277 1.00 4.11 C ATOM 1070 CD PRO A 73 -2.795 -9.997 -16.848 1.00 3.05 C ATOM 0 HA PRO A 73 -2.704 -7.088 -18.291 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -3.432 -9.160 -19.997 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -1.800 -9.040 -19.368 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -4.083 -10.749 -18.397 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -2.395 -11.178 -18.600 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -3.413 -10.568 -16.155 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -1.756 -10.178 -16.572 1.00 3.05 H new ATOM 1078 N GLY A 74 -5.013 -6.311 -18.348 1.00 3.36 N ATOM 1079 CA GLY A 74 -6.356 -5.825 -18.606 1.00 3.85 C ATOM 1080 C GLY A 74 -7.088 -5.440 -17.334 1.00 4.53 C ATOM 1081 O GLY A 74 -8.233 -5.900 -17.147 1.00 5.10 O ATOM 1082 OXT GLY A 74 -6.514 -4.680 -16.527 1.00 4.92 O ATOM 0 H GLY A 74 -4.339 -5.591 -18.087 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -6.305 -4.961 -19.268 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -6.923 -6.595 -19.129 1.00 3.85 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 -12.179 -16.818 26.762 1.00 3.07 N ATOM 1088 CA ILE B 178 -11.718 -15.423 26.531 1.00 2.53 C ATOM 1089 C ILE B 178 -10.766 -15.350 25.339 1.00 2.20 C ATOM 1090 O ILE B 178 -9.546 -15.346 25.507 1.00 2.61 O ATOM 1091 CB ILE B 178 -11.003 -14.855 27.774 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -11.871 -15.039 29.022 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -10.670 -13.384 27.570 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -11.078 -15.385 30.264 1.00 3.49 C ATOM 0 HA ILE B 178 -12.606 -14.826 26.324 1.00 2.53 H new ATOM 0 HB ILE B 178 -10.072 -15.403 27.917 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -12.432 -14.122 29.203 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -12.600 -15.827 28.835 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -10.166 -12.999 28.456 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -10.016 -13.276 26.705 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -11.589 -12.823 27.403 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -11.757 -15.501 31.109 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -10.538 -16.318 30.103 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -10.367 -14.586 30.476 1.00 3.49 H new ATOM 1108 N PRO B 179 -11.313 -15.288 24.113 1.00 2.20 N ATOM 1109 CA PRO B 179 -10.506 -15.212 22.892 1.00 2.43 C ATOM 1110 C PRO B 179 -9.792 -13.872 22.753 1.00 2.12 C ATOM 1111 O PRO B 179 -10.411 -12.814 22.864 1.00 2.52 O ATOM 1112 CB PRO B 179 -11.533 -15.390 21.772 1.00 3.31 C ATOM 1113 CG PRO B 179 -12.821 -14.929 22.362 1.00 3.56 C ATOM 1114 CD PRO B 179 -12.760 -15.285 23.821 1.00 2.87 C ATOM 0 HA PRO B 179 -9.713 -15.960 22.882 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -11.267 -14.802 20.894 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -11.594 -16.430 21.452 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -12.949 -13.855 22.228 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -13.668 -15.414 21.877 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -13.292 -14.558 24.434 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -13.211 -16.258 24.016 1.00 2.87 H new ATOM 1122 N GLY B 180 -8.488 -13.926 22.509 1.00 2.20 N ATOM 1123 CA GLY B 180 -7.710 -12.711 22.361 1.00 2.49 C ATOM 1124 C GLY B 180 -6.258 -12.901 22.751 1.00 2.05 C ATOM 1125 O GLY B 180 -5.959 -13.337 23.862 1.00 2.79 O ATOM 0 H GLY B 180 -7.955 -14.790 22.411 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -7.764 -12.373 21.326 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -8.148 -11.925 22.976 1.00 2.49 H new ATOM 1129 N LYS B 181 -5.354 -12.581 21.832 1.00 1.68 N ATOM 1130 CA LYS B 181 -3.927 -12.722 22.082 1.00 2.16 C ATOM 1131 C LYS B 181 -3.160 -11.541 21.484 1.00 1.86 C ATOM 1132 O LYS B 181 -3.658 -10.414 21.464 1.00 2.39 O ATOM 1133 CB LYS B 181 -3.424 -14.047 21.496 1.00 3.11 C ATOM 1134 CG LYS B 181 -4.349 -15.223 21.762 1.00 3.99 C ATOM 1135 CD LYS B 181 -3.570 -16.517 21.925 1.00 4.80 C ATOM 1136 CE LYS B 181 -2.903 -16.599 23.288 1.00 5.59 C ATOM 1137 NZ LYS B 181 -3.883 -16.904 24.367 1.00 6.37 N ATOM 0 H LYS B 181 -5.586 -12.222 20.906 1.00 1.68 H new ATOM 0 HA LYS B 181 -3.755 -12.728 23.158 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -3.296 -13.933 20.420 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -2.441 -14.268 21.912 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -4.932 -15.032 22.663 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -5.057 -15.324 20.939 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -4.242 -17.366 21.796 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -2.813 -16.588 21.144 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -2.132 -17.369 23.269 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -2.405 -15.654 23.506 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -3.374 -17.119 25.248 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -4.502 -16.082 24.516 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -4.459 -17.725 24.091 1.00 6.37 H new ATOM 1151 N ARG B 182 -1.947 -11.801 21.004 1.00 1.81 N ATOM 1152 CA ARG B 182 -1.107 -10.775 20.409 1.00 1.93 C ATOM 1153 C ARG B 182 -1.870 -9.975 19.344 1.00 1.94 C ATOM 1154 O ARG B 182 -3.050 -10.224 19.097 1.00 2.65 O ATOM 1155 CB ARG B 182 0.153 -11.448 19.848 1.00 2.78 C ATOM 1156 CG ARG B 182 0.385 -11.286 18.354 1.00 3.51 C ATOM 1157 CD ARG B 182 1.342 -12.350 17.838 1.00 4.27 C ATOM 1158 NE ARG B 182 0.653 -13.602 17.537 1.00 4.96 N ATOM 1159 CZ ARG B 182 1.196 -14.811 17.694 1.00 5.70 C ATOM 1160 NH1 ARG B 182 2.444 -14.938 18.129 1.00 5.93 N ATOM 1161 NH2 ARG B 182 0.488 -15.894 17.410 1.00 6.51 N ATOM 0 H ARG B 182 -1.523 -12.728 21.018 1.00 1.81 H new ATOM 0 HA ARG B 182 -0.811 -10.049 21.166 1.00 1.93 H new ATOM 0 HB2 ARG B 182 1.020 -11.049 20.376 1.00 2.78 H new ATOM 0 HB3 ARG B 182 0.104 -12.513 20.075 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -0.565 -11.357 17.824 1.00 3.51 H new ATOM 0 HG3 ARG B 182 0.791 -10.295 18.150 1.00 3.51 H new ATOM 0 HD2 ARG B 182 1.841 -11.985 16.940 1.00 4.27 H new ATOM 0 HD3 ARG B 182 2.118 -12.532 18.582 1.00 4.27 H new ATOM 0 HE ARG B 182 -0.303 -13.549 17.185 1.00 4.96 H new ATOM 0 HH11 ARG B 182 2.995 -14.108 18.346 1.00 5.93 H new ATOM 0 HH12 ARG B 182 2.851 -15.866 18.246 1.00 5.93 H new ATOM 0 HH21 ARG B 182 -0.470 -15.803 17.072 1.00 6.51 H new ATOM 0 HH22 ARG B 182 0.901 -16.819 17.529 1.00 6.51 H new ATOM 1175 N THR B 183 -1.194 -9.008 18.729 1.00 2.03 N ATOM 1176 CA THR B 183 -1.816 -8.170 17.711 1.00 2.67 C ATOM 1177 C THR B 183 -0.828 -7.847 16.597 1.00 2.51 C ATOM 1178 O THR B 183 -0.395 -6.706 16.447 1.00 3.25 O ATOM 1179 CB THR B 183 -2.336 -6.876 18.339 1.00 3.75 C ATOM 1180 OG1 THR B 183 -3.118 -7.154 19.487 1.00 4.22 O ATOM 1181 CG2 THR B 183 -3.183 -6.050 17.394 1.00 4.70 C ATOM 0 H THR B 183 -0.217 -8.786 18.918 1.00 2.03 H new ATOM 0 HA THR B 183 -2.653 -8.720 17.281 1.00 2.67 H new ATOM 0 HB THR B 183 -1.446 -6.303 18.598 1.00 3.75 H new ATOM 0 HG1 THR B 183 -3.440 -6.314 19.875 1.00 4.22 H new ATOM 0 HG21 THR B 183 -3.519 -5.146 17.902 1.00 4.70 H new ATOM 0 HG22 THR B 183 -2.592 -5.776 16.520 1.00 4.70 H new ATOM 0 HG23 THR B 183 -4.049 -6.632 17.078 1.00 4.70 H new ATOM 1189 N GLU B 184 -0.474 -8.871 15.830 1.00 2.17 N ATOM 1190 CA GLU B 184 0.472 -8.735 14.719 1.00 2.63 C ATOM 1191 C GLU B 184 0.164 -7.501 13.852 1.00 1.99 C ATOM 1192 O GLU B 184 0.316 -6.368 14.306 1.00 2.48 O ATOM 1193 CB GLU B 184 0.458 -10.009 13.867 1.00 3.66 C ATOM 1194 CG GLU B 184 0.866 -11.256 14.630 1.00 4.47 C ATOM 1195 CD GLU B 184 -0.324 -12.025 15.172 1.00 5.39 C ATOM 1196 OE1 GLU B 184 -1.249 -11.381 15.712 1.00 5.91 O ATOM 1197 OE2 GLU B 184 -0.331 -13.268 15.055 1.00 5.92 O ATOM 0 H GLU B 184 -0.831 -9.818 15.956 1.00 2.17 H new ATOM 0 HA GLU B 184 1.467 -8.593 15.139 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -0.543 -10.153 13.461 1.00 3.66 H new ATOM 0 HB3 GLU B 184 1.130 -9.876 13.019 1.00 3.66 H new ATOM 0 HG2 GLU B 184 1.445 -11.906 13.974 1.00 4.47 H new ATOM 0 HG3 GLU B 184 1.519 -10.974 15.456 1.00 4.47 H new ATOM 1204 N SER B 185 -0.254 -7.719 12.602 1.00 1.62 N ATOM 1205 CA SER B 185 -0.562 -6.615 11.697 1.00 1.32 C ATOM 1206 C SER B 185 -1.300 -7.125 10.456 1.00 1.14 C ATOM 1207 O SER B 185 -2.089 -8.067 10.541 1.00 1.33 O ATOM 1208 CB SER B 185 0.730 -5.889 11.289 1.00 1.85 C ATOM 1209 OG SER B 185 1.638 -5.797 12.374 1.00 2.53 O ATOM 0 H SER B 185 -0.386 -8.646 12.198 1.00 1.62 H new ATOM 0 HA SER B 185 -1.212 -5.911 12.217 1.00 1.32 H new ATOM 0 HB2 SER B 185 1.202 -6.420 10.462 1.00 1.85 H new ATOM 0 HB3 SER B 185 0.489 -4.889 10.929 1.00 1.85 H new ATOM 0 HG SER B 185 1.168 -5.462 13.166 1.00 2.53 H new ATOM 1215 N PHE B 186 -1.042 -6.504 9.306 1.00 0.93 N ATOM 1216 CA PHE B 186 -1.680 -6.906 8.058 1.00 0.80 C ATOM 1217 C PHE B 186 -0.728 -7.713 7.188 1.00 0.66 C ATOM 1218 O PHE B 186 0.481 -7.719 7.415 1.00 0.75 O ATOM 1219 CB PHE B 186 -2.149 -5.676 7.286 1.00 0.92 C ATOM 1220 CG PHE B 186 -2.973 -6.007 6.077 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -4.136 -6.759 6.196 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -2.601 -5.558 4.817 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -4.898 -7.045 5.097 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -3.372 -5.837 3.722 1.00 1.51 C ATOM 1225 CZ PHE B 186 -4.517 -6.576 3.865 1.00 0.85 C ATOM 0 H PHE B 186 -0.395 -5.721 9.215 1.00 0.93 H new ATOM 0 HA PHE B 186 -2.537 -7.531 8.309 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -2.733 -5.040 7.951 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -1.279 -5.098 6.976 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -4.441 -7.121 7.167 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -1.694 -4.983 4.700 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -5.795 -7.637 5.198 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -3.079 -5.476 2.747 1.00 1.51 H new ATOM 0 HZ PHE B 186 -5.126 -6.792 2.999 1.00 0.85 H new ATOM 1235 N TYR B 187 -1.277 -8.395 6.190 1.00 0.91 N ATOM 1236 CA TYR B 187 -0.470 -9.200 5.294 1.00 1.05 C ATOM 1237 C TYR B 187 -0.747 -8.840 3.829 1.00 1.22 C ATOM 1238 O TYR B 187 -0.944 -7.667 3.511 1.00 1.44 O ATOM 1239 CB TYR B 187 -0.684 -10.686 5.618 1.00 1.25 C ATOM 1240 CG TYR B 187 0.582 -11.379 6.093 1.00 1.52 C ATOM 1241 CD1 TYR B 187 1.302 -10.893 7.180 1.00 2.13 C ATOM 1242 CD2 TYR B 187 1.057 -12.521 5.459 1.00 2.06 C ATOM 1243 CE1 TYR B 187 2.452 -11.523 7.615 1.00 2.51 C ATOM 1244 CE2 TYR B 187 2.205 -13.156 5.892 1.00 2.50 C ATOM 1245 CZ TYR B 187 2.897 -12.654 6.968 1.00 2.47 C ATOM 1246 OH TYR B 187 4.043 -13.283 7.401 1.00 3.02 O ATOM 0 H TYR B 187 -2.276 -8.404 5.985 1.00 0.91 H new ATOM 0 HA TYR B 187 0.588 -8.986 5.446 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -1.452 -10.778 6.386 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -1.059 -11.195 4.730 1.00 1.25 H new ATOM 0 HD1 TYR B 187 0.956 -10.008 7.693 1.00 2.13 H new ATOM 0 HD2 TYR B 187 0.519 -12.919 4.612 1.00 2.06 H new ATOM 0 HE1 TYR B 187 3.000 -11.130 8.459 1.00 2.51 H new ATOM 0 HE2 TYR B 187 2.557 -14.043 5.387 1.00 2.50 H new ATOM 0 HH TYR B 187 4.219 -14.066 6.838 1.00 3.02 H new ATOM 1256 N GLU B 188 -0.736 -9.820 2.933 1.00 1.44 N ATOM 1257 CA GLU B 188 -0.955 -9.554 1.517 1.00 1.78 C ATOM 1258 C GLU B 188 -2.330 -8.965 1.257 1.00 1.81 C ATOM 1259 O GLU B 188 -2.539 -8.319 0.230 1.00 2.15 O ATOM 1260 CB GLU B 188 -0.769 -10.830 0.691 1.00 2.16 C ATOM 1261 CG GLU B 188 -1.160 -10.682 -0.771 1.00 2.93 C ATOM 1262 CD GLU B 188 -0.292 -11.516 -1.692 1.00 3.70 C ATOM 1263 OE1 GLU B 188 0.896 -11.722 -1.366 1.00 4.13 O ATOM 1264 OE2 GLU B 188 -0.799 -11.964 -2.742 1.00 4.33 O ATOM 0 H GLU B 188 -0.578 -10.802 3.161 1.00 1.44 H new ATOM 0 HA GLU B 188 -0.212 -8.818 1.211 1.00 1.78 H new ATOM 0 HB2 GLU B 188 0.275 -11.139 0.748 1.00 2.16 H new ATOM 0 HB3 GLU B 188 -1.362 -11.629 1.136 1.00 2.16 H new ATOM 0 HG2 GLU B 188 -2.203 -10.975 -0.896 1.00 2.93 H new ATOM 0 HG3 GLU B 188 -1.086 -9.633 -1.059 1.00 2.93 H new ATOM 1271 N CYS B 189 -3.269 -9.164 2.180 1.00 1.58 N ATOM 1272 CA CYS B 189 -4.607 -8.613 1.991 1.00 1.74 C ATOM 1273 C CYS B 189 -5.614 -9.079 3.006 1.00 1.77 C ATOM 1274 O CYS B 189 -6.550 -8.348 3.339 1.00 1.94 O ATOM 1275 CB CYS B 189 -5.199 -8.998 0.617 1.00 2.02 C ATOM 1276 SG CYS B 189 -6.222 -10.544 0.606 1.00 2.25 S ATOM 0 H CYS B 189 -3.134 -9.689 3.044 1.00 1.58 H new ATOM 0 HA CYS B 189 -4.451 -7.539 2.088 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -5.814 -8.172 0.259 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -4.381 -9.117 -0.093 1.00 2.02 H new ATOM 1281 N CYS B 190 -5.525 -10.332 3.379 1.00 1.78 N ATOM 1282 CA CYS B 190 -6.563 -10.889 4.210 1.00 2.00 C ATOM 1283 C CYS B 190 -6.127 -12.121 5.004 1.00 2.10 C ATOM 1284 O CYS B 190 -6.901 -13.067 5.154 1.00 2.27 O ATOM 1285 CB CYS B 190 -7.729 -11.250 3.268 1.00 2.26 C ATOM 1286 SG CYS B 190 -7.885 -10.182 1.760 1.00 2.48 S ATOM 0 H CYS B 190 -4.769 -10.969 3.130 1.00 1.78 H new ATOM 0 HA CYS B 190 -6.844 -10.153 4.963 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -7.610 -12.286 2.950 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -8.661 -11.194 3.831 1.00 2.26 H new ATOM 1291 N LYS B 191 -4.914 -12.103 5.539 1.00 2.47 N ATOM 1292 CA LYS B 191 -4.433 -13.224 6.343 1.00 2.86 C ATOM 1293 C LYS B 191 -4.767 -13.003 7.806 1.00 2.35 C ATOM 1294 O LYS B 191 -4.124 -13.578 8.683 1.00 2.77 O ATOM 1295 CB LYS B 191 -2.921 -13.397 6.207 1.00 3.80 C ATOM 1296 CG LYS B 191 -2.487 -14.850 6.059 1.00 4.39 C ATOM 1297 CD LYS B 191 -0.983 -14.969 5.858 1.00 4.90 C ATOM 1298 CE LYS B 191 -0.474 -16.341 6.270 1.00 5.66 C ATOM 1299 NZ LYS B 191 0.926 -16.577 5.819 1.00 6.10 N ATOM 0 H LYS B 191 -4.250 -11.336 5.434 1.00 2.47 H new ATOM 0 HA LYS B 191 -4.928 -14.124 5.977 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -2.575 -12.833 5.341 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -2.434 -12.968 7.083 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -2.781 -15.410 6.947 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -3.004 -15.300 5.212 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -0.739 -14.788 4.811 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -0.475 -14.201 6.441 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -0.526 -16.436 7.355 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -1.124 -17.109 5.851 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 1.349 -17.341 6.384 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 0.926 -16.848 4.815 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 1.482 -15.707 5.943 1.00 6.10 H new ATOM 1313 N GLU B 192 -5.741 -12.136 8.081 1.00 1.95 N ATOM 1314 CA GLU B 192 -6.080 -11.838 9.455 1.00 2.22 C ATOM 1315 C GLU B 192 -4.824 -11.226 10.097 1.00 1.81 C ATOM 1316 O GLU B 192 -4.102 -10.508 9.403 1.00 2.43 O ATOM 1317 CB GLU B 192 -6.558 -13.117 10.151 1.00 3.14 C ATOM 1318 CG GLU B 192 -7.486 -13.957 9.286 1.00 3.77 C ATOM 1319 CD GLU B 192 -8.626 -14.568 10.077 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -9.096 -13.922 11.037 1.00 5.28 O ATOM 1321 OE2 GLU B 192 -9.046 -15.695 9.739 1.00 5.13 O ATOM 0 H GLU B 192 -6.294 -11.641 7.381 1.00 1.95 H new ATOM 0 HA GLU B 192 -6.900 -11.125 9.542 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -5.692 -13.716 10.432 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -7.074 -12.850 11.074 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -7.894 -13.336 8.488 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -6.912 -14.752 8.810 1.00 3.77 H new ATOM 1328 N PRO B 193 -4.494 -11.469 11.381 1.00 1.51 N ATOM 1329 CA PRO B 193 -3.287 -10.886 11.954 1.00 1.90 C ATOM 1330 C PRO B 193 -2.030 -11.693 11.617 1.00 1.60 C ATOM 1331 O PRO B 193 -1.270 -12.042 12.516 1.00 1.96 O ATOM 1332 CB PRO B 193 -3.569 -10.921 13.453 1.00 2.66 C ATOM 1333 CG PRO B 193 -4.447 -12.108 13.649 1.00 2.76 C ATOM 1334 CD PRO B 193 -5.219 -12.300 12.365 1.00 1.99 C ATOM 0 HA PRO B 193 -3.085 -9.888 11.566 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -2.647 -11.013 14.027 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -4.061 -10.006 13.784 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -3.854 -12.993 13.879 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -5.125 -11.952 14.488 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -5.239 -13.348 12.065 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -6.255 -11.979 12.471 1.00 1.99 H new ATOM 1342 N TYR B 194 -1.815 -11.969 10.311 1.00 1.23 N ATOM 1343 CA TYR B 194 -0.642 -12.722 9.832 1.00 1.39 C ATOM 1344 C TYR B 194 -0.942 -14.220 9.644 1.00 1.45 C ATOM 1345 O TYR B 194 -1.186 -14.648 8.519 1.00 1.96 O ATOM 1346 CB TYR B 194 0.591 -12.512 10.729 1.00 1.75 C ATOM 1347 CG TYR B 194 1.285 -11.185 10.523 1.00 1.52 C ATOM 1348 CD1 TYR B 194 0.591 -10.078 10.052 1.00 1.91 C ATOM 1349 CD2 TYR B 194 2.636 -11.038 10.808 1.00 2.04 C ATOM 1350 CE1 TYR B 194 1.223 -8.866 9.871 1.00 2.18 C ATOM 1351 CE2 TYR B 194 3.272 -9.826 10.634 1.00 2.43 C ATOM 1352 CZ TYR B 194 2.559 -8.744 10.165 1.00 2.27 C ATOM 1353 OH TYR B 194 3.184 -7.532 9.991 1.00 2.93 O ATOM 0 H TYR B 194 -2.448 -11.677 9.566 1.00 1.23 H new ATOM 0 HA TYR B 194 -0.405 -12.314 8.849 1.00 1.39 H new ATOM 0 HB2 TYR B 194 0.286 -12.592 11.772 1.00 1.75 H new ATOM 0 HB3 TYR B 194 1.304 -13.315 10.543 1.00 1.75 H new ATOM 0 HD1 TYR B 194 -0.461 -10.168 9.824 1.00 1.91 H new ATOM 0 HD2 TYR B 194 3.198 -11.886 11.172 1.00 2.04 H new ATOM 0 HE1 TYR B 194 0.670 -8.016 9.500 1.00 2.18 H new ATOM 0 HE2 TYR B 194 4.322 -9.726 10.864 1.00 2.43 H new ATOM 0 HH TYR B 194 4.155 -7.657 10.027 1.00 2.93 H new ATOM 1363 N PRO B 195 -0.926 -15.058 10.710 1.00 1.87 N ATOM 1364 CA PRO B 195 -1.194 -16.491 10.568 1.00 2.22 C ATOM 1365 C PRO B 195 -2.682 -16.819 10.580 1.00 2.24 C ATOM 1366 O PRO B 195 -3.388 -16.500 11.536 1.00 2.85 O ATOM 1367 CB PRO B 195 -0.514 -17.077 11.799 1.00 3.25 C ATOM 1368 CG PRO B 195 -0.703 -16.032 12.841 1.00 3.64 C ATOM 1369 CD PRO B 195 -0.646 -14.707 12.122 1.00 2.77 C ATOM 0 HA PRO B 195 -0.833 -16.885 9.618 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -0.968 -18.023 12.094 1.00 3.25 H new ATOM 0 HB3 PRO B 195 0.543 -17.274 11.617 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -1.659 -16.158 13.350 1.00 3.64 H new ATOM 0 HG3 PRO B 195 0.075 -16.096 13.602 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -1.384 -14.007 12.514 1.00 2.77 H new ATOM 0 HD3 PRO B 195 0.330 -14.235 12.231 1.00 2.77 H new ATOM 1377 N ASP B 196 -3.149 -17.466 9.513 1.00 2.52 N ATOM 1378 CA ASP B 196 -4.554 -17.853 9.396 1.00 3.36 C ATOM 1379 C ASP B 196 -4.874 -18.299 7.971 1.00 4.02 C ATOM 1380 O ASP B 196 -6.036 -18.684 7.721 1.00 4.44 O ATOM 1381 CB ASP B 196 -5.474 -16.696 9.801 1.00 3.87 C ATOM 1382 CG ASP B 196 -6.043 -16.873 11.196 1.00 4.51 C ATOM 1383 OD1 ASP B 196 -5.533 -17.737 11.940 1.00 4.88 O ATOM 1384 OD2 ASP B 196 -6.997 -16.148 11.545 1.00 5.03 O ATOM 0 H ASP B 196 -2.573 -17.734 8.715 1.00 2.52 H new ATOM 0 HA ASP B 196 -4.728 -18.689 10.073 1.00 3.36 H new ATOM 0 HB2 ASP B 196 -4.918 -15.760 9.754 1.00 3.87 H new ATOM 0 HB3 ASP B 196 -6.292 -16.618 9.085 1.00 3.87 H new TER 1389 ASP B 196