USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -109:sc= -6.92! (180deg=-3.82!) USER MOD Set 1.2: A 71 GLN : amide:sc= -5.85! K(o=-13!,f=0.53) USER MOD Set 2.1: A 48 CYS SG : rot -45:sc= 0.11! USER MOD Set 2.2: A 59 CYS SG : rot 129:sc= -9.21! USER MOD Set 3.1: A 29 CYS SG : rot -143:sc= -3.64! USER MOD Set 3.2: A 33 CYS SG : rot -63:sc= 1.61! USER MOD Set 3.3: A 38 LYS NZ :NH3+ -134:sc= 0.84 (180deg=0) USER MOD Set 4.1: A 5 THR OG1 : rot -26:sc= 1.26! USER MOD Set 4.2: A 8 THR OG1 : rot 78:sc= -1.37 USER MOD Set 4.3: A 9 SER OG : rot 180:sc= 0.0531 USER MOD Set 5.1: A 3 CYS SG : rot -94:sc= -10! USER MOD Set 5.2: A 16 CYS SG : rot 121:sc= -5.84! USER MOD Set 5.3: A 23 CYS SG : rot -89:sc= -11.8! USER MOD Set 5.4: A 44 CYS SG : rot -74:sc= -12.1! USER MOD Set 5.5: A 60 CYS SG : rot -45:sc= -20.9! USER MOD Set 5.6: A 62 THR OG1 : rot 54:sc= -1.55! USER MOD Set 5.7: A 65 CYS SG : rot 18:sc= -26.6! USER MOD Set 5.8: A 66 ASN : amide:sc= -11.1! C(o=-1e+02!,f=-1e+02!) USER MOD Single : A 1 ILE N :NH3+ -116:sc= -0.157 (180deg=-0.423) USER MOD Single : A 4 HIS : no HD1:sc= -13.9! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -76:sc= -3.01 USER MOD Single : A 12 SER OG : rot 180:sc= -0.402 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 21 ASN : amide:sc= -5.31! K(o=-5.3!,f=-1.9) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 140:sc= -1.3 (180deg=-1.71!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 47:sc= 1.13 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.03 (180deg=-1.46) 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 72:sc= -0.204 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -37.3! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-0.71) USER MOD Single : B 1 HIS N :NH3+ -151:sc= -19.1! (180deg=-20.6!) USER MOD Single : B 3 TYR OH : rot 127:sc= 0.151 USER MOD Single : B 4 TYR OH : rot -117:sc= -0.336 USER MOD Single : B 6 SER OG : rot 14:sc= 0.347! USER MOD Single : B 7 SER OG : rot 67:sc= -5.87! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.808 6.230 12.461 1.00 0.00 N ATOM 2 CA ILE A 1 -6.453 6.437 11.176 1.00 0.00 C ATOM 3 C ILE A 1 -6.780 5.080 10.550 1.00 0.00 C ATOM 4 O ILE A 1 -6.691 4.048 11.212 1.00 0.00 O ATOM 5 CB ILE A 1 -5.593 7.335 10.283 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.220 6.707 10.035 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.482 8.744 10.868 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.529 7.356 8.834 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.410 6.613 13.217 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.662 5.212 12.616 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.889 6.717 12.471 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.398 6.965 11.305 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.085 7.426 9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.598 6.822 10.923 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.332 5.637 9.860 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.866 9.362 10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.476 9.183 10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.025 8.693 11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.555 6.891 8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.142 7.218 7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.397 8.421 9.022 1.00 0.00 H new ATOM 20 N VAL A 2 -7.153 5.126 9.278 1.00 0.00 N ATOM 21 CA VAL A 2 -7.495 3.913 8.555 1.00 0.00 C ATOM 22 C VAL A 2 -6.594 3.785 7.325 1.00 0.00 C ATOM 23 O VAL A 2 -6.128 4.789 6.787 1.00 0.00 O ATOM 24 CB VAL A 2 -8.986 3.915 8.205 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.472 2.501 7.875 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.813 4.530 9.335 1.00 0.00 C ATOM 0 H VAL A 2 -7.226 5.984 8.731 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.321 3.036 9.178 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.122 4.532 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.534 2.529 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.913 2.114 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.316 1.852 8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.868 4.519 9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.669 3.952 10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.492 5.558 9.503 1.00 0.00 H new ATOM 36 N CYS A 3 -6.374 2.545 6.919 1.00 0.00 N ATOM 37 CA CYS A 3 -5.536 2.273 5.763 1.00 0.00 C ATOM 38 C CYS A 3 -6.121 1.074 5.014 1.00 0.00 C ATOM 39 O CYS A 3 -6.726 0.192 5.624 1.00 0.00 O ATOM 40 CB CYS A 3 -4.078 2.040 6.163 1.00 0.00 C ATOM 41 SG CYS A 3 -3.677 3.011 7.662 1.00 0.00 S ATOM 0 H CYS A 3 -6.761 1.716 7.369 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.529 3.142 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.909 0.980 6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.417 2.328 5.345 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.151 4.148 7.315 1.00 0.00 H new ATOM 47 N HIS A 4 -5.922 1.080 3.705 1.00 0.00 N ATOM 48 CA HIS A 4 -6.424 0.003 2.867 1.00 0.00 C ATOM 49 C HIS A 4 -5.418 -1.149 2.855 1.00 0.00 C ATOM 50 O HIS A 4 -4.210 -0.924 2.909 1.00 0.00 O ATOM 51 CB HIS A 4 -6.755 0.516 1.464 1.00 0.00 C ATOM 52 CG HIS A 4 -7.411 1.875 1.446 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.653 2.117 2.010 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.986 3.064 0.929 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.951 3.395 1.833 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.918 3.980 1.162 1.00 0.00 N ATOM 0 H HIS A 4 -5.420 1.813 3.203 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.357 -0.380 3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.837 0.559 0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.413 -0.200 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.050 3.231 0.417 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.854 3.888 2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.869 4.960 0.885 1.00 0.00 H new ATOM 65 N THR A 5 -5.953 -2.359 2.784 1.00 0.00 N ATOM 66 CA THR A 5 -5.117 -3.548 2.765 1.00 0.00 C ATOM 67 C THR A 5 -5.197 -4.234 1.400 1.00 0.00 C ATOM 68 O THR A 5 -6.255 -4.725 1.009 1.00 0.00 O ATOM 69 CB THR A 5 -5.549 -4.448 3.924 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.572 -5.266 3.366 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.256 -3.672 5.036 1.00 0.00 C ATOM 0 H THR A 5 -6.955 -2.542 2.739 1.00 0.00 H new ATOM 0 HA THR A 5 -4.066 -3.295 2.905 1.00 0.00 H new ATOM 0 HB THR A 5 -4.676 -4.955 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.998 -4.794 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.541 -4.358 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.583 -2.912 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.148 -3.192 4.634 1.00 0.00 H new ATOM 79 N THR A 6 -4.064 -4.246 0.712 1.00 0.00 N ATOM 80 CA THR A 6 -3.994 -4.864 -0.601 1.00 0.00 C ATOM 81 C THR A 6 -3.301 -6.224 -0.514 1.00 0.00 C ATOM 82 O THR A 6 -3.419 -7.046 -1.422 1.00 0.00 O ATOM 83 CB THR A 6 -3.295 -3.885 -1.547 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.841 -2.839 -0.692 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.271 -3.190 -2.498 1.00 0.00 C ATOM 0 H THR A 6 -3.188 -3.838 1.039 1.00 0.00 H new ATOM 0 HA THR A 6 -4.989 -5.067 -0.997 1.00 0.00 H new ATOM 0 HB THR A 6 -2.541 -4.418 -2.126 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.598 -2.269 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.723 -2.507 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.781 -3.937 -3.106 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.006 -2.630 -1.920 1.00 0.00 H new ATOM 93 N ALA A 7 -2.591 -6.421 0.587 1.00 0.00 N ATOM 94 CA ALA A 7 -1.877 -7.669 0.805 1.00 0.00 C ATOM 95 C ALA A 7 -2.834 -8.699 1.409 1.00 0.00 C ATOM 96 O ALA A 7 -2.915 -9.830 0.931 1.00 0.00 O ATOM 97 CB ALA A 7 -0.660 -7.412 1.695 1.00 0.00 C ATOM 0 H ALA A 7 -2.494 -5.738 1.338 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.511 -8.072 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.125 -8.347 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.002 -6.695 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.989 -7.010 2.653 1.00 0.00 H new ATOM 103 N THR A 8 -3.534 -8.271 2.450 1.00 0.00 N ATOM 104 CA THR A 8 -4.482 -9.144 3.123 1.00 0.00 C ATOM 105 C THR A 8 -5.748 -9.308 2.281 1.00 0.00 C ATOM 106 O THR A 8 -5.745 -10.031 1.285 1.00 0.00 O ATOM 107 CB THR A 8 -4.748 -8.566 4.515 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.639 -7.157 4.332 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.636 -8.900 5.510 1.00 0.00 C ATOM 0 H THR A 8 -3.464 -7.333 2.843 1.00 0.00 H new ATOM 0 HA THR A 8 -4.078 -10.149 3.243 1.00 0.00 H new ATOM 0 HB THR A 8 -5.697 -8.947 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.455 -6.818 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.874 -8.466 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.548 -9.982 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.692 -8.490 5.152 1.00 0.00 H new ATOM 117 N SER A 9 -6.799 -8.625 2.710 1.00 0.00 N ATOM 118 CA SER A 9 -8.069 -8.686 2.008 1.00 0.00 C ATOM 119 C SER A 9 -7.915 -8.117 0.596 1.00 0.00 C ATOM 120 O SER A 9 -6.800 -8.011 0.084 1.00 0.00 O ATOM 121 CB SER A 9 -9.157 -7.926 2.769 1.00 0.00 C ATOM 122 OG SER A 9 -8.862 -7.823 4.160 1.00 0.00 O ATOM 0 H SER A 9 -6.797 -8.026 3.536 1.00 0.00 H new ATOM 0 HA SER A 9 -8.372 -9.731 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.265 -6.927 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.113 -8.433 2.638 1.00 0.00 H new ATOM 0 HG SER A 9 -9.579 -7.330 4.611 1.00 0.00 H new ATOM 128 N PRO A 10 -9.078 -7.759 -0.010 1.00 0.00 N ATOM 129 CA PRO A 10 -9.082 -7.205 -1.353 1.00 0.00 C ATOM 130 C PRO A 10 -8.597 -5.754 -1.349 1.00 0.00 C ATOM 131 O PRO A 10 -7.664 -5.405 -2.071 1.00 0.00 O ATOM 132 CB PRO A 10 -10.517 -7.350 -1.834 1.00 0.00 C ATOM 133 CG PRO A 10 -11.358 -7.550 -0.583 1.00 0.00 C ATOM 134 CD PRO A 10 -10.415 -7.872 0.565 1.00 0.00 C ATOM 0 HA PRO A 10 -8.397 -7.723 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.837 -6.464 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.618 -8.197 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.935 -6.652 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.073 -8.360 -0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.549 -7.177 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.595 -8.874 0.956 1.00 0.00 H new ATOM 142 N ILE A 11 -9.253 -4.946 -0.528 1.00 0.00 N ATOM 143 CA ILE A 11 -8.900 -3.541 -0.420 1.00 0.00 C ATOM 144 C ILE A 11 -10.019 -2.792 0.307 1.00 0.00 C ATOM 145 O ILE A 11 -11.061 -2.503 -0.281 1.00 0.00 O ATOM 146 CB ILE A 11 -8.569 -2.964 -1.798 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.073 -2.672 -1.926 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.423 -1.729 -2.095 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.739 -2.118 -3.312 1.00 0.00 C ATOM 0 H ILE A 11 -10.027 -5.238 0.069 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.996 -3.421 0.176 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.815 -3.714 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.772 -1.955 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.504 -3.585 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.168 -1.339 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.478 -2.003 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.232 -0.965 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.669 -1.919 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.019 -2.847 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.291 -1.192 -3.477 1.00 0.00 H new ATOM 161 N SER A 12 -9.767 -2.502 1.574 1.00 0.00 N ATOM 162 CA SER A 12 -10.741 -1.795 2.388 1.00 0.00 C ATOM 163 C SER A 12 -10.030 -1.013 3.494 1.00 0.00 C ATOM 164 O SER A 12 -9.083 -1.513 4.102 1.00 0.00 O ATOM 165 CB SER A 12 -11.762 -2.761 2.993 1.00 0.00 C ATOM 166 OG SER A 12 -11.208 -3.516 4.068 1.00 0.00 O ATOM 0 H SER A 12 -8.902 -2.744 2.058 1.00 0.00 H new ATOM 0 HA SER A 12 -11.279 -1.097 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.625 -2.200 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.122 -3.440 2.220 1.00 0.00 H new ATOM 0 HG SER A 12 -11.890 -4.120 4.429 1.00 0.00 H new ATOM 172 N ALA A 13 -10.513 0.199 3.723 1.00 0.00 N ATOM 173 CA ALA A 13 -9.933 1.055 4.746 1.00 0.00 C ATOM 174 C ALA A 13 -10.431 0.605 6.121 1.00 0.00 C ATOM 175 O ALA A 13 -11.569 0.888 6.496 1.00 0.00 O ATOM 176 CB ALA A 13 -10.281 2.514 4.447 1.00 0.00 C ATOM 0 H ALA A 13 -11.299 0.609 3.219 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.846 0.974 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.847 3.156 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.881 2.791 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.364 2.636 4.443 1.00 0.00 H new ATOM 182 N VAL A 14 -9.556 -0.084 6.836 1.00 0.00 N ATOM 183 CA VAL A 14 -9.893 -0.574 8.162 1.00 0.00 C ATOM 184 C VAL A 14 -8.775 -0.200 9.138 1.00 0.00 C ATOM 185 O VAL A 14 -7.606 -0.491 8.891 1.00 0.00 O ATOM 186 CB VAL A 14 -10.161 -2.080 8.110 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.716 -2.491 6.745 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.899 -2.874 8.451 1.00 0.00 C ATOM 0 H VAL A 14 -8.613 -0.315 6.523 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.809 -0.106 8.521 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.915 -2.312 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.898 -3.566 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.651 -1.963 6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.995 -2.237 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.117 -3.941 8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.114 -2.634 7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.565 -2.613 9.455 1.00 0.00 H new ATOM 198 N THR A 15 -9.176 0.439 10.228 1.00 0.00 N ATOM 199 CA THR A 15 -8.223 0.857 11.242 1.00 0.00 C ATOM 200 C THR A 15 -7.298 -0.302 11.615 1.00 0.00 C ATOM 201 O THR A 15 -7.733 -1.449 11.689 1.00 0.00 O ATOM 202 CB THR A 15 -9.012 1.412 12.430 1.00 0.00 C ATOM 203 OG1 THR A 15 -9.973 2.279 11.836 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.169 2.338 13.311 1.00 0.00 C ATOM 0 H THR A 15 -10.147 0.677 10.431 1.00 0.00 H new ATOM 0 HA THR A 15 -7.569 1.646 10.870 1.00 0.00 H new ATOM 0 HB THR A 15 -9.392 0.585 13.030 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.529 2.680 12.536 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.776 2.704 14.139 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.314 1.788 13.704 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.816 3.182 12.719 1.00 0.00 H new ATOM 212 N CYS A 16 -6.037 0.038 11.839 1.00 0.00 N ATOM 213 CA CYS A 16 -5.045 -0.960 12.202 1.00 0.00 C ATOM 214 C CYS A 16 -4.893 -0.956 13.725 1.00 0.00 C ATOM 215 O CYS A 16 -5.529 -0.160 14.413 1.00 0.00 O ATOM 216 CB CYS A 16 -3.711 -0.717 11.494 1.00 0.00 C ATOM 217 SG CYS A 16 -3.307 -2.136 10.413 1.00 0.00 S ATOM 0 H CYS A 16 -5.679 0.991 11.776 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.380 -1.944 11.874 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.765 0.197 10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.920 -0.574 12.230 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.176 -1.724 9.187 1.00 0.00 H new ATOM 223 N PRO A 17 -4.024 -1.878 14.218 1.00 0.00 N ATOM 224 CA PRO A 17 -3.780 -1.988 15.646 1.00 0.00 C ATOM 225 C PRO A 17 -2.898 -0.839 16.141 1.00 0.00 C ATOM 226 O PRO A 17 -2.594 0.083 15.388 1.00 0.00 O ATOM 227 CB PRO A 17 -3.138 -3.352 15.832 1.00 0.00 C ATOM 228 CG PRO A 17 -2.622 -3.761 14.461 1.00 0.00 C ATOM 229 CD PRO A 17 -3.252 -2.836 13.432 1.00 0.00 C ATOM 0 HA PRO A 17 -4.693 -1.909 16.236 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.325 -3.306 16.557 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.861 -4.076 16.209 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.535 -3.689 14.425 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.880 -4.799 14.250 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.492 -2.335 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.890 -3.388 12.742 1.00 0.00 H new ATOM 237 N PRO A 18 -2.502 -0.937 17.439 1.00 0.00 N ATOM 238 CA PRO A 18 -1.661 0.082 18.044 1.00 0.00 C ATOM 239 C PRO A 18 -0.216 -0.040 17.558 1.00 0.00 C ATOM 240 O PRO A 18 0.467 -1.014 17.869 1.00 0.00 O ATOM 241 CB PRO A 18 -1.805 -0.129 19.542 1.00 0.00 C ATOM 242 CG PRO A 18 -2.345 -1.539 19.715 1.00 0.00 C ATOM 243 CD PRO A 18 -2.844 -2.016 18.362 1.00 0.00 C ATOM 0 HA PRO A 18 -1.959 1.093 17.767 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.846 -0.014 20.047 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.484 0.605 19.976 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.566 -2.203 20.090 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.153 -1.551 20.446 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.367 -2.952 18.071 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.919 -2.198 18.378 1.00 0.00 H new ATOM 251 N GLY A 19 0.207 0.962 16.801 1.00 0.00 N ATOM 252 CA GLY A 19 1.558 0.979 16.270 1.00 0.00 C ATOM 253 C GLY A 19 1.644 1.856 15.019 1.00 0.00 C ATOM 254 O GLY A 19 2.428 2.803 14.973 1.00 0.00 O ATOM 0 H GLY A 19 -0.363 1.768 16.543 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.246 1.352 17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.871 -0.037 16.029 1.00 0.00 H new ATOM 258 N GLU A 20 0.828 1.510 14.035 1.00 0.00 N ATOM 259 CA GLU A 20 0.801 2.253 12.788 1.00 0.00 C ATOM 260 C GLU A 20 0.256 3.663 13.021 1.00 0.00 C ATOM 261 O GLU A 20 -0.950 3.847 13.181 1.00 0.00 O ATOM 262 CB GLU A 20 -0.019 1.516 11.727 1.00 0.00 C ATOM 263 CG GLU A 20 0.580 0.141 11.427 1.00 0.00 C ATOM 264 CD GLU A 20 -0.060 -0.938 12.304 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.648 -1.895 11.777 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.071 -0.757 13.574 1.00 0.00 O ATOM 0 H GLU A 20 0.180 0.724 14.077 1.00 0.00 H new ATOM 0 HA GLU A 20 1.822 2.337 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.047 1.401 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.054 2.109 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.430 -0.104 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.656 0.164 11.599 1.00 0.00 H new ATOM 274 N ASN A 21 1.170 4.623 13.032 1.00 0.00 N ATOM 275 CA ASN A 21 0.795 6.011 13.244 1.00 0.00 C ATOM 276 C ASN A 21 0.344 6.620 11.916 1.00 0.00 C ATOM 277 O ASN A 21 0.106 7.825 11.830 1.00 0.00 O ATOM 278 CB ASN A 21 1.980 6.828 13.761 1.00 0.00 C ATOM 279 CG ASN A 21 2.723 6.078 14.868 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.880 6.334 15.160 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.996 5.139 15.467 1.00 0.00 N ATOM 0 H ASN A 21 2.169 4.467 12.898 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.008 6.036 13.980 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.664 7.042 12.940 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.627 7.787 14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.402 4.582 16.219 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.033 4.975 15.174 1.00 0.00 H new ATOM 288 N LEU A 22 0.235 5.762 10.913 1.00 0.00 N ATOM 289 CA LEU A 22 -0.185 6.201 9.592 1.00 0.00 C ATOM 290 C LEU A 22 -0.319 4.985 8.675 1.00 0.00 C ATOM 291 O LEU A 22 -0.239 3.845 9.132 1.00 0.00 O ATOM 292 CB LEU A 22 0.767 7.273 9.058 1.00 0.00 C ATOM 293 CG LEU A 22 2.174 6.797 8.689 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.440 6.981 7.193 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.230 7.492 9.549 1.00 0.00 C ATOM 0 H LEU A 22 0.430 4.764 10.988 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.166 6.673 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.315 7.725 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.856 8.058 9.809 1.00 0.00 H new ATOM 0 HG LEU A 22 2.240 5.729 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.446 6.635 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.714 6.403 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.349 8.036 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.221 7.136 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.174 8.569 9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.049 7.267 10.600 1.00 0.00 H new ATOM 307 N CYS A 23 -0.523 5.268 7.396 1.00 0.00 N ATOM 308 CA CYS A 23 -0.671 4.212 6.409 1.00 0.00 C ATOM 309 C CYS A 23 0.633 4.111 5.615 1.00 0.00 C ATOM 310 O CYS A 23 1.638 4.716 5.985 1.00 0.00 O ATOM 311 CB CYS A 23 -1.877 4.453 5.499 1.00 0.00 C ATOM 312 SG CYS A 23 -3.204 5.298 6.431 1.00 0.00 S ATOM 0 H CYS A 23 -0.589 6.214 7.021 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.863 3.264 6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.581 5.058 4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.243 3.504 5.108 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.968 4.412 6.998 1.00 0.00 H new ATOM 318 N TYR A 24 0.574 3.341 4.538 1.00 0.00 N ATOM 319 CA TYR A 24 1.737 3.152 3.688 1.00 0.00 C ATOM 320 C TYR A 24 1.352 2.474 2.373 1.00 0.00 C ATOM 321 O TYR A 24 0.244 1.953 2.240 1.00 0.00 O ATOM 322 CB TYR A 24 2.682 2.233 4.465 1.00 0.00 C ATOM 323 CG TYR A 24 2.289 0.755 4.418 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.764 -0.053 3.405 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.461 0.231 5.389 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.395 -1.444 3.361 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.091 -1.160 5.346 1.00 0.00 C ATOM 328 CZ TYR A 24 1.576 -1.930 4.334 1.00 0.00 C ATOM 329 OH TYR A 24 1.227 -3.243 4.293 1.00 0.00 O ATOM 0 H TYR A 24 -0.262 2.841 4.235 1.00 0.00 H new ATOM 0 HA TYR A 24 2.193 4.111 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.690 2.343 4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.714 2.557 5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.412 0.358 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.090 0.864 6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.760 -2.087 2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.443 -1.583 6.100 1.00 0.00 H new ATOM 0 HH TYR A 24 0.640 -3.449 5.050 1.00 0.00 H new ATOM 339 N ARG A 25 2.285 2.501 1.434 1.00 0.00 N ATOM 340 CA ARG A 25 2.057 1.896 0.132 1.00 0.00 C ATOM 341 C ARG A 25 3.289 1.103 -0.308 1.00 0.00 C ATOM 342 O ARG A 25 4.254 1.678 -0.812 1.00 0.00 O ATOM 343 CB ARG A 25 1.738 2.958 -0.922 1.00 0.00 C ATOM 344 CG ARG A 25 0.957 4.121 -0.309 1.00 0.00 C ATOM 345 CD ARG A 25 1.075 5.377 -1.174 1.00 0.00 C ATOM 346 NE ARG A 25 -0.268 5.824 -1.606 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.506 6.521 -2.737 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.508 6.857 -3.561 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.747 6.868 -3.025 1.00 0.00 N ATOM 0 H ARG A 25 3.202 2.933 1.548 1.00 0.00 H new ATOM 0 HA ARG A 25 1.203 1.225 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.664 3.329 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.158 2.511 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.092 3.844 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.333 4.328 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.568 6.170 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.696 5.171 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.064 5.591 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.464 6.584 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.319 7.384 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.508 6.609 -2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.945 7.395 -3.876 1.00 0.00 H new ATOM 363 N LYS A 26 3.218 -0.204 -0.104 1.00 0.00 N ATOM 364 CA LYS A 26 4.316 -1.081 -0.474 1.00 0.00 C ATOM 365 C LYS A 26 4.223 -1.407 -1.966 1.00 0.00 C ATOM 366 O LYS A 26 3.147 -1.325 -2.557 1.00 0.00 O ATOM 367 CB LYS A 26 4.339 -2.319 0.426 1.00 0.00 C ATOM 368 CG LYS A 26 5.629 -2.376 1.247 1.00 0.00 C ATOM 369 CD LYS A 26 5.574 -3.507 2.275 1.00 0.00 C ATOM 370 CE LYS A 26 5.306 -2.960 3.679 1.00 0.00 C ATOM 371 NZ LYS A 26 6.225 -3.576 4.660 1.00 0.00 N ATOM 0 H LYS A 26 2.417 -0.677 0.313 1.00 0.00 H new ATOM 0 HA LYS A 26 5.272 -0.582 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.478 -2.303 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.252 -3.218 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.481 -2.524 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.783 -1.424 1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.791 -4.214 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.516 -4.055 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.432 -1.877 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.273 -3.162 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.029 -3.193 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.085 -4.607 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.208 -3.362 4.397 1.00 0.00 H new ATOM 385 N MET A 27 5.364 -1.767 -2.533 1.00 0.00 N ATOM 386 CA MET A 27 5.426 -2.105 -3.945 1.00 0.00 C ATOM 387 C MET A 27 6.525 -3.134 -4.215 1.00 0.00 C ATOM 388 O MET A 27 7.517 -3.192 -3.491 1.00 0.00 O ATOM 389 CB MET A 27 5.699 -0.840 -4.760 1.00 0.00 C ATOM 390 CG MET A 27 4.451 -0.404 -5.531 1.00 0.00 C ATOM 391 SD MET A 27 4.514 1.350 -5.853 1.00 0.00 S ATOM 392 CE MET A 27 2.824 1.635 -6.352 1.00 0.00 C ATOM 0 H MET A 27 6.254 -1.832 -2.040 1.00 0.00 H new ATOM 0 HA MET A 27 4.470 -2.538 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.019 -0.037 -4.096 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.517 -1.022 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.384 -0.952 -6.471 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.556 -0.645 -4.957 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.474 2.578 -5.931 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.768 1.680 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.196 0.821 -5.990 1.00 0.00 H new ATOM 402 N TRP A 28 6.309 -3.922 -5.258 1.00 0.00 N ATOM 403 CA TRP A 28 7.269 -4.946 -5.633 1.00 0.00 C ATOM 404 C TRP A 28 6.884 -5.470 -7.018 1.00 0.00 C ATOM 405 O TRP A 28 7.161 -4.825 -8.028 1.00 0.00 O ATOM 406 CB TRP A 28 7.335 -6.049 -4.574 1.00 0.00 C ATOM 407 CG TRP A 28 6.017 -6.282 -3.835 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.856 -6.726 -4.337 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.768 -6.064 -2.431 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.881 -6.810 -3.363 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.454 -6.393 -2.167 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.624 -5.601 -1.416 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.880 -6.298 -0.894 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.036 -5.512 -0.148 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.715 -5.840 0.133 1.00 0.00 C ATOM 0 H TRP A 28 5.483 -3.872 -5.855 1.00 0.00 H new ATOM 0 HA TRP A 28 8.276 -4.531 -5.685 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.641 -6.980 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.107 -5.795 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.702 -6.986 -5.374 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.919 -7.120 -3.496 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.654 -5.335 -1.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.849 -6.564 -0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.652 -5.164 0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.334 -5.742 1.139 1.00 0.00 H new ATOM 426 N CYS A 29 6.252 -6.635 -7.021 1.00 0.00 N ATOM 427 CA CYS A 29 5.826 -7.253 -8.266 1.00 0.00 C ATOM 428 C CYS A 29 5.067 -8.538 -7.928 1.00 0.00 C ATOM 429 O CYS A 29 5.630 -9.458 -7.339 1.00 0.00 O ATOM 430 CB CYS A 29 7.010 -7.516 -9.199 1.00 0.00 C ATOM 431 SG CYS A 29 6.877 -6.464 -10.690 1.00 0.00 S ATOM 0 H CYS A 29 6.025 -7.167 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 29 5.166 -6.575 -8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.946 -7.309 -8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.031 -8.567 -9.486 1.00 0.00 H new ATOM 0 HG CYS A 29 7.293 -7.127 -11.728 1.00 0.00 H new ATOM 437 N ASP A 30 3.801 -8.558 -8.320 1.00 0.00 N ATOM 438 CA ASP A 30 2.959 -9.715 -8.067 1.00 0.00 C ATOM 439 C ASP A 30 3.696 -10.982 -8.504 1.00 0.00 C ATOM 440 O ASP A 30 4.800 -10.909 -9.040 1.00 0.00 O ATOM 441 CB ASP A 30 1.654 -9.630 -8.861 1.00 0.00 C ATOM 442 CG ASP A 30 0.568 -10.617 -8.426 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.540 -10.631 -8.981 1.00 0.00 O ATOM 444 OD2 ASP A 30 0.903 -11.407 -7.463 1.00 0.00 O ATOM 0 H ASP A 30 3.339 -7.792 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 30 2.732 -9.740 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.259 -8.618 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.876 -9.798 -9.915 1.00 0.00 H new ATOM 450 N ALA A 31 3.056 -12.116 -8.258 1.00 0.00 N ATOM 451 CA ALA A 31 3.636 -13.398 -8.619 1.00 0.00 C ATOM 452 C ALA A 31 3.609 -13.554 -10.140 1.00 0.00 C ATOM 453 O ALA A 31 4.070 -14.563 -10.673 1.00 0.00 O ATOM 454 CB ALA A 31 2.881 -14.520 -7.903 1.00 0.00 C ATOM 0 H ALA A 31 2.140 -12.173 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 31 4.677 -13.452 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.316 -15.482 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.956 -14.379 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.832 -14.500 -8.200 1.00 0.00 H new ATOM 460 N PHE A 32 3.062 -12.542 -10.798 1.00 0.00 N ATOM 461 CA PHE A 32 2.968 -12.556 -12.249 1.00 0.00 C ATOM 462 C PHE A 32 3.741 -11.385 -12.859 1.00 0.00 C ATOM 463 O PHE A 32 3.941 -11.333 -14.071 1.00 0.00 O ATOM 464 CB PHE A 32 1.486 -12.412 -12.601 1.00 0.00 C ATOM 465 CG PHE A 32 0.626 -13.600 -12.170 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.496 -13.903 -10.851 1.00 0.00 C ATOM 467 CD2 PHE A 32 -0.010 -14.355 -13.106 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.303 -15.008 -10.450 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.808 -15.459 -12.707 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.938 -15.762 -11.387 1.00 0.00 C ATOM 0 H PHE A 32 2.679 -11.707 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 32 3.392 -13.480 -12.642 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.098 -11.507 -12.133 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.390 -12.279 -13.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.000 -13.304 -10.107 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.092 -14.114 -14.154 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.406 -15.249 -9.402 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.312 -16.058 -13.451 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.546 -16.602 -11.083 1.00 0.00 H new ATOM 480 N CYS A 33 4.157 -10.474 -11.990 1.00 0.00 N ATOM 481 CA CYS A 33 4.903 -9.308 -12.429 1.00 0.00 C ATOM 482 C CYS A 33 4.372 -8.884 -13.800 1.00 0.00 C ATOM 483 O CYS A 33 5.116 -8.865 -14.779 1.00 0.00 O ATOM 484 CB CYS A 33 6.409 -9.578 -12.459 1.00 0.00 C ATOM 485 SG CYS A 33 7.253 -8.310 -13.474 1.00 0.00 S ATOM 0 H CYS A 33 3.991 -10.521 -10.985 1.00 0.00 H new ATOM 0 HA CYS A 33 4.760 -8.494 -11.718 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.809 -9.569 -11.445 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.601 -10.570 -12.868 1.00 0.00 H new ATOM 0 HG CYS A 33 6.836 -8.390 -14.703 1.00 0.00 H new ATOM 491 N SER A 34 3.088 -8.555 -13.826 1.00 0.00 N ATOM 492 CA SER A 34 2.449 -8.134 -15.060 1.00 0.00 C ATOM 493 C SER A 34 3.145 -6.889 -15.612 1.00 0.00 C ATOM 494 O SER A 34 4.050 -6.347 -14.979 1.00 0.00 O ATOM 495 CB SER A 34 0.960 -7.857 -14.842 1.00 0.00 C ATOM 496 OG SER A 34 0.252 -9.026 -14.438 1.00 0.00 O ATOM 0 H SER A 34 2.474 -8.572 -13.012 1.00 0.00 H new ATOM 0 HA SER A 34 2.538 -8.943 -15.785 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.843 -7.082 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.525 -7.470 -15.763 1.00 0.00 H new ATOM 0 HG SER A 34 -0.694 -8.807 -14.308 1.00 0.00 H new ATOM 502 N SER A 35 2.697 -6.471 -16.787 1.00 0.00 N ATOM 503 CA SER A 35 3.266 -5.298 -17.430 1.00 0.00 C ATOM 504 C SER A 35 2.823 -4.031 -16.698 1.00 0.00 C ATOM 505 O SER A 35 3.227 -2.927 -17.060 1.00 0.00 O ATOM 506 CB SER A 35 2.860 -5.228 -18.904 1.00 0.00 C ATOM 507 OG SER A 35 3.221 -6.411 -19.614 1.00 0.00 O ATOM 0 H SER A 35 1.947 -6.923 -17.310 1.00 0.00 H new ATOM 0 HA SER A 35 4.352 -5.376 -17.382 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.783 -5.076 -18.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.336 -4.366 -19.371 1.00 0.00 H new ATOM 0 HG SER A 35 2.944 -6.328 -20.550 1.00 0.00 H new ATOM 513 N ARG A 36 2.000 -4.232 -15.680 1.00 0.00 N ATOM 514 CA ARG A 36 1.497 -3.118 -14.893 1.00 0.00 C ATOM 515 C ARG A 36 2.566 -2.638 -13.909 1.00 0.00 C ATOM 516 O ARG A 36 2.307 -1.764 -13.085 1.00 0.00 O ATOM 517 CB ARG A 36 0.240 -3.517 -14.116 1.00 0.00 C ATOM 518 CG ARG A 36 -0.705 -4.344 -14.988 1.00 0.00 C ATOM 519 CD ARG A 36 -1.571 -3.442 -15.869 1.00 0.00 C ATOM 520 NE ARG A 36 -0.748 -2.354 -16.441 1.00 0.00 N ATOM 521 CZ ARG A 36 -0.069 -2.451 -17.605 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.109 -3.589 -18.330 1.00 0.00 N ATOM 523 NH2 ARG A 36 0.636 -1.416 -18.024 1.00 0.00 N ATOM 0 H ARG A 36 1.669 -5.149 -15.381 1.00 0.00 H new ATOM 0 HA ARG A 36 1.244 -2.312 -15.582 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.521 -4.091 -13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.274 -2.622 -13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.126 -5.023 -15.615 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.343 -4.961 -14.355 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.023 -4.027 -16.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.387 -3.022 -15.282 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.690 -1.476 -15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.655 -4.385 -18.000 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.407 -3.653 -19.208 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.662 -0.559 -17.471 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.154 -1.473 -18.901 1.00 0.00 H new ATOM 537 N GLY A 37 3.745 -3.233 -14.029 1.00 0.00 N ATOM 538 CA GLY A 37 4.854 -2.876 -13.161 1.00 0.00 C ATOM 539 C GLY A 37 4.821 -3.693 -11.867 1.00 0.00 C ATOM 540 O GLY A 37 4.807 -4.923 -11.904 1.00 0.00 O ATOM 0 H GLY A 37 3.955 -3.959 -14.714 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.797 -3.048 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.809 -1.813 -12.926 1.00 0.00 H new ATOM 544 N LYS A 38 4.809 -2.976 -10.753 1.00 0.00 N ATOM 545 CA LYS A 38 4.779 -3.619 -9.450 1.00 0.00 C ATOM 546 C LYS A 38 3.337 -3.654 -8.936 1.00 0.00 C ATOM 547 O LYS A 38 2.402 -3.372 -9.684 1.00 0.00 O ATOM 548 CB LYS A 38 5.756 -2.935 -8.492 1.00 0.00 C ATOM 549 CG LYS A 38 6.922 -2.305 -9.256 1.00 0.00 C ATOM 550 CD LYS A 38 7.461 -3.262 -10.322 1.00 0.00 C ATOM 551 CE LYS A 38 8.987 -3.185 -10.409 1.00 0.00 C ATOM 552 NZ LYS A 38 9.539 -4.450 -10.943 1.00 0.00 N ATOM 0 H LYS A 38 4.820 -1.956 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 38 5.116 -4.653 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.234 -2.167 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.137 -3.662 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.594 -1.378 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.719 -2.044 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.158 -4.282 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.025 -3.016 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.279 -2.354 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.404 -2.987 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.349 -4.748 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.805 -5.187 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.851 -4.306 -11.924 1.00 0.00 H new ATOM 566 N VAL A 39 3.204 -4.000 -7.664 1.00 0.00 N ATOM 567 CA VAL A 39 1.894 -4.075 -7.043 1.00 0.00 C ATOM 568 C VAL A 39 1.689 -2.855 -6.144 1.00 0.00 C ATOM 569 O VAL A 39 2.417 -1.869 -6.255 1.00 0.00 O ATOM 570 CB VAL A 39 1.744 -5.400 -6.293 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.273 -5.801 -6.175 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.560 -6.506 -6.967 1.00 0.00 C ATOM 0 H VAL A 39 3.983 -4.231 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 39 1.112 -4.056 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 39 2.135 -5.260 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.196 -6.746 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.272 -5.029 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.154 -5.914 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.436 -7.437 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.212 -6.642 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.614 -6.227 -6.976 1.00 0.00 H new ATOM 582 N VAL A 40 0.695 -2.959 -5.275 1.00 0.00 N ATOM 583 CA VAL A 40 0.386 -1.875 -4.357 1.00 0.00 C ATOM 584 C VAL A 40 -0.258 -2.450 -3.094 1.00 0.00 C ATOM 585 O VAL A 40 -1.471 -2.354 -2.913 1.00 0.00 O ATOM 586 CB VAL A 40 -0.493 -0.835 -5.055 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.338 0.540 -4.401 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.179 -0.767 -6.551 1.00 0.00 C ATOM 0 H VAL A 40 0.093 -3.777 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 40 1.297 -1.361 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.532 -1.145 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.973 1.261 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.632 0.480 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.702 0.860 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.817 -0.020 -7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.866 -0.492 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.362 -1.741 -7.006 1.00 0.00 H new ATOM 598 N GLU A 41 0.582 -3.034 -2.254 1.00 0.00 N ATOM 599 CA GLU A 41 0.110 -3.625 -1.013 1.00 0.00 C ATOM 600 C GLU A 41 0.156 -2.595 0.117 1.00 0.00 C ATOM 601 O GLU A 41 0.959 -2.716 1.042 1.00 0.00 O ATOM 602 CB GLU A 41 0.925 -4.870 -0.653 1.00 0.00 C ATOM 603 CG GLU A 41 1.163 -5.743 -1.886 1.00 0.00 C ATOM 604 CD GLU A 41 0.859 -7.212 -1.584 1.00 0.00 C ATOM 605 OE1 GLU A 41 1.032 -7.659 -0.439 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.427 -7.897 -2.587 1.00 0.00 O ATOM 0 H GLU A 41 1.587 -3.111 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.925 -3.936 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.881 -4.572 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.399 -5.446 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.534 -5.399 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.198 -5.642 -2.214 1.00 0.00 H new ATOM 614 N LEU A 42 -0.714 -1.601 0.005 1.00 0.00 N ATOM 615 CA LEU A 42 -0.783 -0.551 1.006 1.00 0.00 C ATOM 616 C LEU A 42 -1.278 -1.141 2.328 1.00 0.00 C ATOM 617 O LEU A 42 -1.519 -2.344 2.423 1.00 0.00 O ATOM 618 CB LEU A 42 -1.632 0.617 0.499 1.00 0.00 C ATOM 619 CG LEU A 42 -1.609 0.856 -1.013 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.850 0.261 -1.681 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.445 2.343 -1.330 1.00 0.00 C ATOM 0 H LEU A 42 -1.377 -1.501 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 42 0.209 -0.139 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.665 0.449 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.296 1.527 0.996 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.742 0.341 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.809 0.445 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.882 -0.813 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.744 0.727 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.432 2.485 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.278 2.900 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.509 2.705 -0.905 1.00 0.00 H new ATOM 633 N GLY A 43 -1.414 -0.269 3.315 1.00 0.00 N ATOM 634 CA GLY A 43 -1.876 -0.689 4.627 1.00 0.00 C ATOM 635 C GLY A 43 -1.482 0.330 5.698 1.00 0.00 C ATOM 636 O GLY A 43 -1.439 1.531 5.433 1.00 0.00 O ATOM 0 H GLY A 43 -1.212 0.727 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.959 -0.808 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.451 -1.662 4.872 1.00 0.00 H new ATOM 640 N CYS A 44 -1.207 -0.186 6.887 1.00 0.00 N ATOM 641 CA CYS A 44 -0.819 0.665 8.001 1.00 0.00 C ATOM 642 C CYS A 44 0.647 0.381 8.334 1.00 0.00 C ATOM 643 O CYS A 44 1.156 -0.700 8.040 1.00 0.00 O ATOM 644 CB CYS A 44 -1.729 0.458 9.212 1.00 0.00 C ATOM 645 SG CYS A 44 -3.474 0.338 8.673 1.00 0.00 S ATOM 0 H CYS A 44 -1.245 -1.182 7.104 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.930 1.712 7.719 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.441 -0.449 9.743 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.612 1.286 9.911 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.904 1.516 8.329 1.00 0.00 H new ATOM 651 N ALA A 45 1.284 1.370 8.941 1.00 0.00 N ATOM 652 CA ALA A 45 2.682 1.242 9.316 1.00 0.00 C ATOM 653 C ALA A 45 3.070 2.403 10.234 1.00 0.00 C ATOM 654 O ALA A 45 2.579 3.519 10.067 1.00 0.00 O ATOM 655 CB ALA A 45 3.546 1.182 8.055 1.00 0.00 C ATOM 0 H ALA A 45 0.858 2.265 9.183 1.00 0.00 H new ATOM 0 HA ALA A 45 2.847 0.317 9.869 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.595 1.086 8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.252 0.322 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.408 2.095 7.476 1.00 0.00 H new ATOM 661 N ALA A 46 3.943 2.100 11.183 1.00 0.00 N ATOM 662 CA ALA A 46 4.400 3.106 12.127 1.00 0.00 C ATOM 663 C ALA A 46 4.934 4.316 11.358 1.00 0.00 C ATOM 664 O ALA A 46 4.600 5.455 11.679 1.00 0.00 O ATOM 665 CB ALA A 46 5.451 2.493 13.055 1.00 0.00 C ATOM 0 H ALA A 46 4.346 1.173 11.319 1.00 0.00 H new ATOM 0 HA ALA A 46 3.575 3.451 12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.795 3.247 13.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.012 1.657 13.599 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.296 2.139 12.464 1.00 0.00 H new ATOM 671 N THR A 47 5.756 4.026 10.361 1.00 0.00 N ATOM 672 CA THR A 47 6.341 5.077 9.545 1.00 0.00 C ATOM 673 C THR A 47 6.823 4.509 8.209 1.00 0.00 C ATOM 674 O THR A 47 6.985 3.298 8.067 1.00 0.00 O ATOM 675 CB THR A 47 7.450 5.745 10.357 1.00 0.00 C ATOM 676 OG1 THR A 47 8.249 4.657 10.815 1.00 0.00 O ATOM 677 CG2 THR A 47 6.929 6.390 11.644 1.00 0.00 C ATOM 0 H THR A 47 6.031 3.079 10.099 1.00 0.00 H new ATOM 0 HA THR A 47 5.602 5.837 9.291 1.00 0.00 H new ATOM 0 HB THR A 47 7.941 6.501 9.745 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.994 5.001 11.350 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.758 6.850 12.182 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.190 7.152 11.396 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.467 5.628 12.272 1.00 0.00 H new ATOM 685 N CYS A 48 7.040 5.410 7.263 1.00 0.00 N ATOM 686 CA CYS A 48 7.501 5.014 5.943 1.00 0.00 C ATOM 687 C CYS A 48 8.449 3.823 6.103 1.00 0.00 C ATOM 688 O CYS A 48 9.629 4.001 6.399 1.00 0.00 O ATOM 689 CB CYS A 48 8.165 6.176 5.202 1.00 0.00 C ATOM 690 SG CYS A 48 7.775 7.756 6.039 1.00 0.00 S ATOM 0 H CYS A 48 6.905 6.414 7.384 1.00 0.00 H new ATOM 0 HA CYS A 48 6.648 4.720 5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.245 6.029 5.170 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.817 6.206 4.170 1.00 0.00 H new ATOM 0 HG CYS A 48 6.507 7.794 6.325 1.00 0.00 H new ATOM 696 N PRO A 49 7.881 2.605 5.893 1.00 0.00 N ATOM 697 CA PRO A 49 8.663 1.385 6.011 1.00 0.00 C ATOM 698 C PRO A 49 9.581 1.203 4.802 1.00 0.00 C ATOM 699 O PRO A 49 10.376 0.266 4.756 1.00 0.00 O ATOM 700 CB PRO A 49 7.637 0.273 6.150 1.00 0.00 C ATOM 701 CG PRO A 49 6.325 0.849 5.641 1.00 0.00 C ATOM 702 CD PRO A 49 6.487 2.356 5.541 1.00 0.00 C ATOM 0 HA PRO A 49 9.336 1.398 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.930 -0.603 5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.546 -0.047 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.074 0.426 4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.509 0.597 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.263 2.712 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.809 2.873 6.220 1.00 0.00 H new ATOM 710 N SER A 50 9.443 2.116 3.851 1.00 0.00 N ATOM 711 CA SER A 50 10.249 2.068 2.643 1.00 0.00 C ATOM 712 C SER A 50 11.562 1.332 2.920 1.00 0.00 C ATOM 713 O SER A 50 12.167 1.511 3.975 1.00 0.00 O ATOM 714 CB SER A 50 10.533 3.475 2.114 1.00 0.00 C ATOM 715 OG SER A 50 10.098 3.635 0.766 1.00 0.00 O ATOM 0 H SER A 50 8.784 2.894 3.893 1.00 0.00 H new ATOM 0 HA SER A 50 9.689 1.528 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.032 4.208 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.602 3.677 2.177 1.00 0.00 H new ATOM 0 HG SER A 50 9.188 3.283 0.672 1.00 0.00 H new ATOM 721 N LYS A 51 11.961 0.517 1.954 1.00 0.00 N ATOM 722 CA LYS A 51 13.189 -0.248 2.081 1.00 0.00 C ATOM 723 C LYS A 51 14.338 0.526 1.428 1.00 0.00 C ATOM 724 O LYS A 51 14.709 1.603 1.894 1.00 0.00 O ATOM 725 CB LYS A 51 13.003 -1.660 1.521 1.00 0.00 C ATOM 726 CG LYS A 51 12.453 -2.605 2.589 1.00 0.00 C ATOM 727 CD LYS A 51 13.586 -3.221 3.412 1.00 0.00 C ATOM 728 CE LYS A 51 14.217 -2.181 4.341 1.00 0.00 C ATOM 729 NZ LYS A 51 13.189 -1.582 5.221 1.00 0.00 N ATOM 0 H LYS A 51 11.455 0.370 1.080 1.00 0.00 H new ATOM 0 HA LYS A 51 13.448 -0.379 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.322 -1.631 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.957 -2.038 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.775 -2.061 3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.871 -3.396 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.201 -4.054 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.346 -3.627 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.994 -2.648 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.698 -1.401 3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.652 -1.008 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.558 -0.978 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.634 -2.338 5.671 1.00 0.00 H new ATOM 743 N LYS A 52 14.867 -0.051 0.361 1.00 0.00 N ATOM 744 CA LYS A 52 15.965 0.570 -0.360 1.00 0.00 C ATOM 745 C LYS A 52 15.982 0.052 -1.800 1.00 0.00 C ATOM 746 O LYS A 52 15.995 0.837 -2.746 1.00 0.00 O ATOM 747 CB LYS A 52 17.283 0.358 0.385 1.00 0.00 C ATOM 748 CG LYS A 52 17.188 0.873 1.823 1.00 0.00 C ATOM 749 CD LYS A 52 16.874 -0.266 2.794 1.00 0.00 C ATOM 750 CE LYS A 52 16.767 0.251 4.230 1.00 0.00 C ATOM 751 NZ LYS A 52 18.110 0.373 4.839 1.00 0.00 N ATOM 0 H LYS A 52 14.556 -0.943 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 52 15.825 1.650 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.536 -0.702 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.088 0.875 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.128 1.348 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.413 1.636 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.939 -0.747 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.654 -1.025 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.269 1.220 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.153 -0.428 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.019 0.725 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.572 -0.558 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.684 1.038 4.283 1.00 0.00 H new ATOM 765 N PRO A 53 15.981 -1.303 -1.923 1.00 0.00 N ATOM 766 CA PRO A 53 15.996 -1.934 -3.232 1.00 0.00 C ATOM 767 C PRO A 53 14.626 -1.838 -3.904 1.00 0.00 C ATOM 768 O PRO A 53 14.231 -0.770 -4.367 1.00 0.00 O ATOM 769 CB PRO A 53 16.430 -3.368 -2.971 1.00 0.00 C ATOM 770 CG PRO A 53 16.192 -3.613 -1.490 1.00 0.00 C ATOM 771 CD PRO A 53 15.965 -2.264 -0.824 1.00 0.00 C ATOM 0 HA PRO A 53 16.678 -1.444 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.856 -4.067 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.480 -3.511 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.328 -4.261 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.048 -4.119 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.015 -2.240 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.745 -2.046 -0.095 1.00 0.00 H new ATOM 779 N TYR A 54 13.936 -2.968 -3.935 1.00 0.00 N ATOM 780 CA TYR A 54 12.618 -3.025 -4.543 1.00 0.00 C ATOM 781 C TYR A 54 11.540 -2.563 -3.560 1.00 0.00 C ATOM 782 O TYR A 54 10.748 -1.675 -3.873 1.00 0.00 O ATOM 783 CB TYR A 54 12.376 -4.495 -4.892 1.00 0.00 C ATOM 784 CG TYR A 54 12.932 -5.479 -3.860 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.285 -5.749 -3.823 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.080 -6.096 -2.968 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.808 -6.675 -2.851 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.602 -7.022 -1.996 1.00 0.00 C ATOM 789 CZ TYR A 54 13.941 -7.265 -1.986 1.00 0.00 C ATOM 790 OH TYR A 54 14.435 -8.139 -1.069 1.00 0.00 O ATOM 0 H TYR A 54 14.265 -3.853 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 54 12.571 -2.375 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.304 -4.661 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.828 -4.707 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.951 -5.266 -4.522 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.021 -5.885 -2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.865 -6.895 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.946 -7.512 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 54 13.702 -8.483 -0.517 1.00 0.00 H new ATOM 800 N GLU A 55 11.544 -3.187 -2.391 1.00 0.00 N ATOM 801 CA GLU A 55 10.577 -2.851 -1.361 1.00 0.00 C ATOM 802 C GLU A 55 10.294 -1.348 -1.368 1.00 0.00 C ATOM 803 O GLU A 55 10.727 -0.627 -0.470 1.00 0.00 O ATOM 804 CB GLU A 55 11.061 -3.311 0.016 1.00 0.00 C ATOM 805 CG GLU A 55 10.631 -4.754 0.294 1.00 0.00 C ATOM 806 CD GLU A 55 10.868 -5.123 1.760 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.942 -5.639 2.104 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.886 -4.858 2.554 1.00 0.00 O ATOM 0 H GLU A 55 12.202 -3.923 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 55 9.647 -3.377 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.147 -3.235 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.658 -2.653 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.576 -4.876 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.188 -5.434 -0.351 1.00 0.00 H new ATOM 816 N GLU A 56 9.570 -0.919 -2.391 1.00 0.00 N ATOM 817 CA GLU A 56 9.225 0.486 -2.527 1.00 0.00 C ATOM 818 C GLU A 56 7.942 0.794 -1.752 1.00 0.00 C ATOM 819 O GLU A 56 6.844 0.697 -2.299 1.00 0.00 O ATOM 820 CB GLU A 56 9.083 0.875 -4.000 1.00 0.00 C ATOM 821 CG GLU A 56 9.997 2.053 -4.345 1.00 0.00 C ATOM 822 CD GLU A 56 9.336 2.980 -5.367 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.581 3.886 -4.985 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.631 2.731 -6.598 1.00 0.00 O ATOM 0 H GLU A 56 9.213 -1.520 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 56 10.034 1.082 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.330 0.021 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.047 1.139 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.232 2.613 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.941 1.681 -4.743 1.00 0.00 H new ATOM 832 N VAL A 57 8.122 1.161 -0.492 1.00 0.00 N ATOM 833 CA VAL A 57 6.994 1.484 0.363 1.00 0.00 C ATOM 834 C VAL A 57 6.797 3.001 0.390 1.00 0.00 C ATOM 835 O VAL A 57 7.724 3.755 0.098 1.00 0.00 O ATOM 836 CB VAL A 57 7.202 0.883 1.754 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.871 0.749 2.499 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.918 -0.466 1.667 1.00 0.00 C ATOM 0 H VAL A 57 9.034 1.242 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 57 6.078 1.045 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 57 7.837 1.564 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.048 0.319 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.415 1.733 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.202 0.099 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.053 -0.871 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.320 -1.158 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.892 -0.331 1.196 1.00 0.00 H new ATOM 848 N THR A 58 5.586 3.403 0.745 1.00 0.00 N ATOM 849 CA THR A 58 5.257 4.817 0.815 1.00 0.00 C ATOM 850 C THR A 58 4.648 5.156 2.176 1.00 0.00 C ATOM 851 O THR A 58 5.036 4.584 3.194 1.00 0.00 O ATOM 852 CB THR A 58 4.335 5.145 -0.363 1.00 0.00 C ATOM 853 OG1 THR A 58 4.780 4.281 -1.404 1.00 0.00 O ATOM 854 CG2 THR A 58 4.574 6.552 -0.916 1.00 0.00 C ATOM 0 H THR A 58 4.820 2.774 0.987 1.00 0.00 H new ATOM 0 HA THR A 58 6.150 5.437 0.731 1.00 0.00 H new ATOM 0 HB THR A 58 3.295 5.049 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.524 3.358 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.896 6.735 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.392 7.287 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.604 6.637 -1.261 1.00 0.00 H new ATOM 862 N CYS A 59 3.704 6.086 2.152 1.00 0.00 N ATOM 863 CA CYS A 59 3.039 6.509 3.371 1.00 0.00 C ATOM 864 C CYS A 59 1.648 7.031 3.004 1.00 0.00 C ATOM 865 O CYS A 59 1.328 7.178 1.826 1.00 0.00 O ATOM 866 CB CYS A 59 3.859 7.553 4.131 1.00 0.00 C ATOM 867 SG CYS A 59 5.128 6.728 5.158 1.00 0.00 S ATOM 0 H CYS A 59 3.384 6.558 1.306 1.00 0.00 H new ATOM 0 HA CYS A 59 2.940 5.660 4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.336 8.235 3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.203 8.153 4.762 1.00 0.00 H new ATOM 0 HG CYS A 59 6.290 7.262 4.924 1.00 0.00 H new ATOM 873 N CYS A 60 0.860 7.299 4.036 1.00 0.00 N ATOM 874 CA CYS A 60 -0.489 7.801 3.835 1.00 0.00 C ATOM 875 C CYS A 60 -1.135 8.003 5.208 1.00 0.00 C ATOM 876 O CYS A 60 -1.353 7.042 5.942 1.00 0.00 O ATOM 877 CB CYS A 60 -1.315 6.869 2.948 1.00 0.00 C ATOM 878 SG CYS A 60 -2.961 6.587 3.695 1.00 0.00 S ATOM 0 H CYS A 60 1.130 7.178 5.012 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.450 8.754 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.427 7.304 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.796 5.919 2.823 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.825 6.345 4.965 1.00 0.00 H new ATOM 884 N SER A 61 -1.422 9.260 5.512 1.00 0.00 N ATOM 885 CA SER A 61 -2.038 9.600 6.782 1.00 0.00 C ATOM 886 C SER A 61 -3.480 10.060 6.559 1.00 0.00 C ATOM 887 O SER A 61 -4.353 9.805 7.387 1.00 0.00 O ATOM 888 CB SER A 61 -1.240 10.686 7.508 1.00 0.00 C ATOM 889 OG SER A 61 -1.548 11.990 7.021 1.00 0.00 O ATOM 0 H SER A 61 -1.239 10.055 4.900 1.00 0.00 H new ATOM 0 HA SER A 61 -2.042 8.709 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.452 10.639 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.174 10.496 7.385 1.00 0.00 H new ATOM 0 HG SER A 61 -1.020 12.655 7.510 1.00 0.00 H new ATOM 895 N THR A 62 -3.686 10.731 5.435 1.00 0.00 N ATOM 896 CA THR A 62 -5.006 11.229 5.092 1.00 0.00 C ATOM 897 C THR A 62 -6.050 10.122 5.244 1.00 0.00 C ATOM 898 O THR A 62 -5.703 8.946 5.345 1.00 0.00 O ATOM 899 CB THR A 62 -4.941 11.811 3.679 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.580 11.631 3.293 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.135 13.328 3.661 1.00 0.00 C ATOM 0 H THR A 62 -2.960 10.941 4.750 1.00 0.00 H new ATOM 0 HA THR A 62 -5.317 12.022 5.772 1.00 0.00 H new ATOM 0 HB THR A 62 -5.702 11.340 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.333 10.688 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.080 13.690 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.110 13.575 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.354 13.802 4.255 1.00 0.00 H new ATOM 909 N ASP A 63 -7.310 10.537 5.257 1.00 0.00 N ATOM 910 CA ASP A 63 -8.406 9.594 5.397 1.00 0.00 C ATOM 911 C ASP A 63 -8.546 8.786 4.105 1.00 0.00 C ATOM 912 O ASP A 63 -9.087 9.280 3.116 1.00 0.00 O ATOM 913 CB ASP A 63 -9.730 10.321 5.645 1.00 0.00 C ATOM 914 CG ASP A 63 -10.119 10.468 7.117 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.562 9.505 7.760 1.00 0.00 O ATOM 916 OD2 ASP A 63 -9.951 11.648 7.611 1.00 0.00 O ATOM 0 H ASP A 63 -7.595 11.513 5.173 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.186 8.945 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.671 11.314 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.525 9.785 5.126 1.00 0.00 H new ATOM 922 N LYS A 64 -8.049 7.559 4.154 1.00 0.00 N ATOM 923 CA LYS A 64 -8.111 6.680 3.000 1.00 0.00 C ATOM 924 C LYS A 64 -7.211 7.232 1.893 1.00 0.00 C ATOM 925 O LYS A 64 -7.646 7.382 0.753 1.00 0.00 O ATOM 926 CB LYS A 64 -9.562 6.469 2.564 1.00 0.00 C ATOM 927 CG LYS A 64 -10.387 5.836 3.688 1.00 0.00 C ATOM 928 CD LYS A 64 -11.874 5.816 3.332 1.00 0.00 C ATOM 929 CE LYS A 64 -12.690 5.122 4.425 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.745 4.273 3.826 1.00 0.00 N ATOM 0 H LYS A 64 -7.601 7.153 4.976 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.732 5.691 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.002 7.425 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.591 5.829 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.039 4.819 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.238 6.395 4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.233 6.836 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.018 5.300 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.033 4.512 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.143 5.868 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.289 3.810 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.382 4.863 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.307 3.549 3.222 1.00 0.00 H new ATOM 944 N CYS A 65 -5.973 7.518 2.269 1.00 0.00 N ATOM 945 CA CYS A 65 -5.008 8.052 1.324 1.00 0.00 C ATOM 946 C CYS A 65 -4.100 6.908 0.867 1.00 0.00 C ATOM 947 O CYS A 65 -2.953 7.136 0.488 1.00 0.00 O ATOM 948 CB CYS A 65 -4.209 9.211 1.923 1.00 0.00 C ATOM 949 SG CYS A 65 -3.827 8.866 3.679 1.00 0.00 S ATOM 0 H CYS A 65 -5.616 7.390 3.216 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.531 8.467 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.285 9.355 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.779 10.137 1.841 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.974 7.596 3.914 1.00 0.00 H new ATOM 955 N ASN A 66 -4.647 5.703 0.921 1.00 0.00 N ATOM 956 CA ASN A 66 -3.900 4.523 0.519 1.00 0.00 C ATOM 957 C ASN A 66 -4.457 3.999 -0.806 1.00 0.00 C ATOM 958 O ASN A 66 -4.084 2.917 -1.257 1.00 0.00 O ATOM 959 CB ASN A 66 -4.029 3.408 1.560 1.00 0.00 C ATOM 960 CG ASN A 66 -2.665 3.050 2.151 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.424 1.942 2.599 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.786 4.049 2.129 1.00 0.00 N ATOM 0 H ASN A 66 -5.599 5.518 1.237 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.852 4.805 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.702 3.725 2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.473 2.525 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.847 3.910 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.052 4.953 1.739 1.00 0.00 H new ATOM 969 N PRO A 67 -5.367 4.810 -1.409 1.00 0.00 N ATOM 970 CA PRO A 67 -5.980 4.441 -2.674 1.00 0.00 C ATOM 971 C PRO A 67 -4.996 4.622 -3.833 1.00 0.00 C ATOM 972 O PRO A 67 -5.164 5.517 -4.660 1.00 0.00 O ATOM 973 CB PRO A 67 -7.207 5.328 -2.791 1.00 0.00 C ATOM 974 CG PRO A 67 -6.983 6.480 -1.824 1.00 0.00 C ATOM 975 CD PRO A 67 -5.834 6.099 -0.905 1.00 0.00 C ATOM 0 HA PRO A 67 -6.262 3.389 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.329 5.693 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.113 4.777 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.750 7.395 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.886 6.674 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.041 6.846 -0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.164 6.023 0.131 1.00 0.00 H new ATOM 983 N HIS A 68 -3.992 3.759 -3.855 1.00 0.00 N ATOM 984 CA HIS A 68 -2.983 3.812 -4.899 1.00 0.00 C ATOM 985 C HIS A 68 -3.644 4.154 -6.236 1.00 0.00 C ATOM 986 O HIS A 68 -4.843 3.946 -6.410 1.00 0.00 O ATOM 987 CB HIS A 68 -2.182 2.509 -4.949 1.00 0.00 C ATOM 988 CG HIS A 68 -3.037 1.267 -5.049 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.902 0.346 -6.074 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.036 0.805 -4.245 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.786 -0.622 -5.883 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.487 -0.336 -4.749 1.00 0.00 N ATOM 0 H HIS A 68 -3.855 3.019 -3.167 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.266 4.602 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.506 2.542 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.562 2.440 -4.055 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.236 0.403 -6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.399 1.287 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.927 -1.486 -6.515 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.810 4.685 -7.170 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.303 5.058 -8.485 1.00 0.00 C ATOM 1003 C PRO A 69 -3.540 3.820 -9.352 1.00 0.00 C ATOM 1004 O PRO A 69 -2.590 3.206 -9.839 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.241 5.986 -9.054 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.985 5.732 -8.236 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.385 4.946 -6.999 1.00 0.00 C ATOM 0 HA PRO A 69 -4.271 5.558 -8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -2.068 5.780 -10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.552 7.028 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.254 5.175 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.516 6.675 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.819 4.018 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.193 5.515 -6.089 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.812 3.489 -9.520 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.187 2.335 -10.319 1.00 0.00 C ATOM 1017 C LYS A 70 -6.661 2.448 -10.710 1.00 0.00 C ATOM 1018 O LYS A 70 -7.034 2.135 -11.840 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.844 1.039 -9.583 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.977 1.320 -8.353 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.726 2.192 -7.343 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.199 1.791 -7.258 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.983 2.839 -6.567 1.00 0.00 N ATOM 0 H LYS A 70 -5.597 4.001 -9.116 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.612 2.310 -11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.762 0.536 -9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.318 0.362 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.689 0.379 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.057 1.819 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.262 2.097 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.647 3.240 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.597 1.632 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.294 0.846 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.272 2.495 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.400 3.693 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.829 3.066 -7.128 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.461 2.897 -9.754 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.888 3.055 -9.984 1.00 0.00 C ATOM 1039 C GLN A 71 -9.133 3.982 -11.177 1.00 0.00 C ATOM 1040 O GLN A 71 -9.471 5.151 -11.000 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.591 3.578 -8.730 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.889 2.439 -7.753 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.302 2.984 -6.384 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.359 3.567 -6.213 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.410 2.762 -5.421 1.00 0.00 N ATOM 0 H GLN A 71 -7.149 3.157 -8.818 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.310 2.077 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.965 4.325 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.520 4.074 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.685 1.811 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.007 1.807 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.544 2.267 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.593 3.087 -4.472 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.957 3.423 -12.364 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.154 4.184 -13.587 1.00 0.00 C ATOM 1056 C ARG A 72 -9.230 3.243 -14.791 1.00 0.00 C ATOM 1057 O ARG A 72 -8.467 2.284 -14.883 1.00 0.00 O ATOM 1058 CB ARG A 72 -8.019 5.187 -13.801 1.00 0.00 C ATOM 1059 CG ARG A 72 -8.185 5.928 -15.130 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.884 6.623 -15.536 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.802 7.954 -14.897 1.00 0.00 N ATOM 1062 CZ ARG A 72 -7.605 8.994 -15.208 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -8.560 8.864 -16.152 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -7.442 10.140 -14.573 1.00 0.00 N ATOM 0 H ARG A 72 -8.680 2.452 -12.506 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.092 4.731 -13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.003 5.904 -12.980 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.061 4.666 -13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.484 5.225 -15.908 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.983 6.665 -15.042 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.029 6.015 -15.240 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.841 6.727 -16.620 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.094 8.095 -14.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.680 7.975 -16.637 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.162 9.655 -16.381 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.718 10.229 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.040 10.936 -14.796 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.181 3.561 -15.709 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.366 2.757 -16.904 1.00 0.00 C ATOM 1080 C PRO A 73 -9.252 3.017 -17.919 1.00 0.00 C ATOM 1081 O PRO A 73 -9.218 4.071 -18.553 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.744 3.136 -17.426 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.083 4.466 -16.774 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.103 4.691 -15.635 1.00 0.00 C ATOM 0 HA PRO A 73 -10.311 1.687 -16.702 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.740 3.223 -18.513 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.482 2.376 -17.170 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.015 5.275 -17.501 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.107 4.458 -16.400 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.577 5.639 -15.747 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.615 4.722 -14.673 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.366 2.038 -18.042 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.252 2.149 -18.969 1.00 0.00 C ATOM 1094 C GLY A 74 -6.259 1.002 -18.771 1.00 0.00 C ATOM 1095 O GLY A 74 -5.191 0.988 -19.383 1.00 0.00 O ATOM 0 H GLY A 74 -8.397 1.165 -17.515 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.624 2.140 -19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.746 3.103 -18.822 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.401 -9.786 -10.976 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.529 -10.018 -9.548 1.00 0.00 C ATOM 1102 C HIS B 1 -6.249 -9.574 -8.837 1.00 0.00 C ATOM 1103 O HIS B 1 -5.434 -10.406 -8.442 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.888 -11.478 -9.265 1.00 0.00 C ATOM 1105 CG HIS B 1 -9.107 -11.653 -8.391 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.066 -11.527 -7.014 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -10.401 -11.943 -8.713 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -10.286 -11.736 -6.539 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -11.111 -11.993 -7.593 1.00 0.00 N ATOM 0 H1 HIS B 1 -8.341 -9.608 -11.384 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.790 -8.961 -11.140 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.980 -10.623 -11.427 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.349 -9.419 -9.152 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -8.056 -11.990 -10.212 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.038 -11.964 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.783 -12.104 -9.710 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -10.575 -11.708 -5.499 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -12.110 -12.191 -7.531 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.112 -8.263 -8.699 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.944 -7.700 -8.043 1.00 0.00 C ATOM 1120 C ARG B 2 -5.106 -6.185 -7.882 1.00 0.00 C ATOM 1121 O ARG B 2 -6.016 -5.592 -8.456 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.671 -7.986 -8.843 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.866 -9.118 -8.202 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.598 -8.579 -7.534 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.171 -9.489 -6.449 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.927 -9.786 -5.370 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.155 -9.247 -5.224 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.445 -10.613 -4.460 1.00 0.00 N ATOM 0 H ARG B 2 -6.789 -7.576 -9.030 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.856 -8.168 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.933 -8.255 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.060 -7.085 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.480 -9.633 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.597 -9.853 -8.961 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.802 -8.481 -8.272 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.784 -7.583 -7.132 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.249 -9.919 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.520 -8.609 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.719 -9.477 -4.406 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.516 -11.016 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.002 -10.848 -3.639 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.209 -5.608 -7.097 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.242 -4.177 -6.851 1.00 0.00 C ATOM 1144 C TYR B 3 -2.965 -3.504 -7.361 1.00 0.00 C ATOM 1145 O TYR B 3 -2.341 -2.722 -6.643 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.319 -4.010 -5.332 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.565 -5.316 -4.575 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.506 -6.145 -4.265 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.847 -5.668 -4.203 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.737 -7.374 -3.553 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.078 -6.897 -3.491 1.00 0.00 C ATOM 1152 CZ TYR B 3 -5.013 -7.690 -3.200 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.230 -8.851 -2.528 1.00 0.00 O ATOM 0 H TYR B 3 -3.455 -6.105 -6.623 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.087 -3.719 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.389 -3.566 -4.978 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.118 -3.308 -5.094 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.503 -5.871 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.677 -5.021 -4.446 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.916 -8.031 -3.304 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.076 -7.183 -3.194 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.731 -8.665 -1.706 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.612 -3.833 -8.594 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.420 -3.271 -9.206 1.00 0.00 C ATOM 1165 C TYR B 4 -1.508 -1.745 -9.277 1.00 0.00 C ATOM 1166 O TYR B 4 -2.353 -1.137 -8.621 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.374 -3.833 -10.630 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.386 -4.988 -10.810 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.788 -6.285 -10.555 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.904 -4.734 -11.228 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.140 -7.371 -10.726 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.833 -5.821 -11.397 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.404 -7.087 -11.138 1.00 0.00 C ATOM 1174 OH TYR B 4 2.282 -8.113 -11.299 1.00 0.00 O ATOM 0 H TYR B 4 -3.130 -4.482 -9.186 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.533 -3.526 -8.626 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.371 -4.174 -10.908 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.109 -3.030 -11.318 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.798 -6.483 -10.228 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.217 -3.720 -11.428 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.161 -8.390 -10.531 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.846 -5.636 -11.722 1.00 0.00 H new ATOM 0 HH TYR B 4 3.028 -8.007 -10.672 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.620 -1.170 -10.076 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.586 0.274 -10.239 1.00 0.00 C ATOM 1186 C GLU B 5 -1.143 0.666 -11.608 1.00 0.00 C ATOM 1187 O GLU B 5 -0.602 1.548 -12.274 1.00 0.00 O ATOM 1188 CB GLU B 5 0.833 0.813 -10.050 1.00 0.00 C ATOM 1189 CG GLU B 5 1.643 0.692 -11.342 1.00 0.00 C ATOM 1190 CD GLU B 5 2.046 2.072 -11.868 1.00 0.00 C ATOM 1191 OE1 GLU B 5 1.249 3.019 -11.794 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.235 2.139 -12.365 1.00 0.00 O ATOM 0 H GLU B 5 0.080 -1.677 -10.617 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.215 0.722 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.791 1.857 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.331 0.263 -9.252 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.535 0.093 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.055 0.169 -12.096 1.00 0.00 H new ATOM 1200 N SER B 6 -2.219 -0.007 -11.989 1.00 0.00 N ATOM 1201 CA SER B 6 -2.856 0.261 -13.268 1.00 0.00 C ATOM 1202 C SER B 6 -4.359 -0.005 -13.169 1.00 0.00 C ATOM 1203 O SER B 6 -5.113 0.329 -14.083 1.00 0.00 O ATOM 1204 CB SER B 6 -2.239 -0.590 -14.379 1.00 0.00 C ATOM 1205 OG SER B 6 -3.132 -0.768 -15.475 1.00 0.00 O ATOM 0 H SER B 6 -2.666 -0.737 -11.435 1.00 0.00 H new ATOM 0 HA SER B 6 -2.694 1.310 -13.518 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.323 -0.117 -14.732 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.960 -1.564 -13.977 1.00 0.00 H new ATOM 0 HG SER B 6 -3.874 -0.132 -15.399 1.00 0.00 H new ATOM 1211 N SER B 7 -4.751 -0.601 -12.053 1.00 0.00 N ATOM 1212 CA SER B 7 -6.151 -0.915 -11.823 1.00 0.00 C ATOM 1213 C SER B 7 -6.365 -1.315 -10.363 1.00 0.00 C ATOM 1214 O SER B 7 -5.403 -1.533 -9.628 1.00 0.00 O ATOM 1215 CB SER B 7 -6.625 -2.032 -12.754 1.00 0.00 C ATOM 1216 OG SER B 7 -7.876 -2.575 -12.344 1.00 0.00 O ATOM 0 H SER B 7 -4.123 -0.875 -11.297 1.00 0.00 H new ATOM 0 HA SER B 7 -6.741 -0.024 -12.039 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.713 -1.645 -13.769 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.877 -2.824 -12.779 1.00 0.00 H new ATOM 0 HG SER B 7 -8.577 -1.898 -12.449 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.633 -1.401 -9.985 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.985 -1.770 -8.624 1.00 0.00 C ATOM 1224 C LEU B 8 -9.023 -2.894 -8.659 1.00 0.00 C ATOM 1225 O LEU B 8 -9.249 -3.566 -7.655 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.435 -0.540 -7.835 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.345 -0.650 -6.312 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.509 -1.466 -5.749 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.989 -1.218 -5.883 1.00 0.00 C ATOM 0 H LEU B 8 -8.429 -1.221 -10.598 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.114 -2.156 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.834 0.311 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.468 -0.319 -8.103 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.424 0.353 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.419 -1.528 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.451 -0.983 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.488 -2.470 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.951 -1.286 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.858 -2.211 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.192 -0.562 -6.234 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.625 -3.064 -9.826 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.635 -4.094 -10.004 1.00 0.00 C ATOM 1243 C GLU B 9 -9.979 -5.414 -10.413 1.00 0.00 C ATOM 1244 O GLU B 9 -8.994 -5.420 -11.151 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.684 -3.663 -11.032 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.201 -2.254 -10.728 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.959 -2.223 -9.400 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -13.557 -3.235 -9.003 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -12.913 -1.097 -8.772 1.00 0.00 O ATOM 0 H GLU B 9 -9.433 -2.506 -10.658 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.146 -4.242 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.251 -3.688 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.515 -4.368 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.364 -1.556 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.857 -1.922 -11.533 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.566 -6.529 -9.905 1.00 0.00 N ATOM 1258 CA PRO B 10 -10.050 -7.853 -10.208 1.00 0.00 C ATOM 1259 C PRO B 10 -10.414 -8.270 -11.635 1.00 0.00 C ATOM 1260 O PRO B 10 -10.699 -9.439 -11.890 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.653 -8.764 -9.151 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.843 -8.010 -8.581 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.734 -6.561 -9.028 1.00 0.00 C ATOM 0 HA PRO B 10 -8.961 -7.896 -10.177 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.964 -9.714 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.926 -8.993 -8.372 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.777 -8.449 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.850 -8.074 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.633 -6.241 -9.554 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.608 -5.893 -8.176 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.395 -7.290 -12.526 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.721 -7.540 -13.921 1.00 0.00 C ATOM 1273 C TRP B 11 -9.683 -6.822 -14.785 1.00 0.00 C ATOM 1274 O TRP B 11 -9.256 -7.346 -15.814 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.157 -7.115 -14.232 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.807 -7.904 -15.371 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.312 -8.149 -16.592 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -14.098 -8.546 -15.344 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.188 -8.900 -17.351 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.309 -9.148 -16.568 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -15.058 -8.614 -14.319 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.471 -9.863 -16.881 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -16.215 -9.332 -14.649 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -16.441 -9.944 -15.876 1.00 0.00 C ATOM 0 H TRP B 11 -10.159 -6.321 -12.310 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.679 -8.606 -14.143 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.762 -7.230 -13.333 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.164 -6.055 -14.487 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -11.350 -7.803 -16.939 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.039 -9.215 -18.310 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -14.915 -8.150 -13.354 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.611 -10.327 -17.846 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -16.985 -9.416 -13.897 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -17.362 -10.480 -16.053 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.306 -5.633 -14.336 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.326 -4.837 -15.056 1.00 0.00 C ATOM 1297 C TYR B 12 -6.919 -5.066 -14.499 1.00 0.00 C ATOM 1298 O TYR B 12 -5.938 -5.007 -15.240 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.721 -3.377 -14.830 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.876 -2.901 -15.713 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -10.598 -3.813 -16.456 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.196 -1.560 -15.766 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -11.686 -3.363 -17.286 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.284 -1.110 -16.597 1.00 0.00 C ATOM 1305 CZ TYR B 12 -11.974 -2.035 -17.316 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.001 -1.612 -18.100 1.00 0.00 O ATOM 0 H TYR B 12 -9.662 -5.202 -13.483 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.312 -5.107 -16.112 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.998 -3.244 -13.784 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.853 -2.744 -15.013 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -10.348 -4.863 -16.415 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.631 -0.847 -15.184 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -12.260 -4.066 -17.872 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.545 -0.063 -16.647 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.093 -0.639 -18.022 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.864 -5.327 -13.167 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.594 -5.563 -12.502 1.00 0.00 C ATOM 1318 C PRO B 13 -5.053 -6.956 -12.833 1.00 0.00 C ATOM 1319 O PRO B 13 -3.861 -7.119 -13.087 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.882 -5.374 -11.022 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.390 -5.497 -10.872 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.005 -5.403 -12.258 1.00 0.00 C ATOM 0 HA PRO B 13 -4.813 -4.878 -12.832 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.367 -6.127 -10.425 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.533 -4.400 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.651 -6.445 -10.402 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.775 -4.706 -10.229 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.627 -6.272 -12.475 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.643 -4.524 -12.349 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.957 -7.924 -12.820 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.586 -9.299 -13.113 1.00 0.00 C ATOM 1332 C ASP B 14 -6.842 -10.094 -13.475 1.00 0.00 C ATOM 1333 O ASP B 14 -7.299 -10.055 -14.616 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.936 -9.966 -11.900 1.00 0.00 C ATOM 1335 CG ASP B 14 -5.357 -11.417 -11.657 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.540 -12.196 -12.604 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -5.499 -11.743 -10.417 1.00 0.00 O ATOM 0 H ASP B 14 -6.946 -7.784 -12.611 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.876 -9.288 -13.940 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.853 -9.933 -12.023 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.174 -9.381 -11.012 1.00 0.00 H new