USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=-0.07) USER MOD Single : A 1 HIS N :NH3+ -173:sc= 0 (180deg=-0.0584) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.376 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -120:sc= -0.0947 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.798 K(o=-0.8,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -52:sc= 0.416 USER MOD Single : A 43 ASN : amide:sc= 0.427 K(o=0.43,f=-4.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00252 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.011 -4.687 12.352 1.00 0.00 N ATOM 2 CA HIS A 1 5.356 -5.217 12.162 1.00 0.00 C ATOM 3 C HIS A 1 6.004 -4.620 10.915 1.00 0.00 C ATOM 4 O HIS A 1 5.706 -5.028 9.792 1.00 0.00 O ATOM 5 CB HIS A 1 5.316 -6.741 12.050 1.00 0.00 C ATOM 6 CG HIS A 1 4.775 -7.417 13.272 1.00 0.00 C ATOM 7 ND1 HIS A 1 5.168 -7.086 14.552 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.863 -8.409 13.405 1.00 0.00 C ATOM 9 CE1 HIS A 1 4.524 -7.847 15.419 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.725 -8.658 14.748 1.00 0.00 N ATOM 0 H1 HIS A 1 3.635 -5.013 13.265 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.043 -3.648 12.342 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.394 -5.022 11.584 1.00 0.00 H new ATOM 0 HA HIS A 1 5.955 -4.940 13.030 1.00 0.00 H new ATOM 0 HB2 HIS A 1 4.705 -7.018 11.191 1.00 0.00 H new ATOM 0 HB3 HIS A 1 6.323 -7.110 11.857 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.341 -8.911 12.604 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.632 -7.812 16.493 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.106 -9.356 15.161 1.00 0.00 H new ATOM 18 N THR A 2 6.892 -3.652 11.121 1.00 0.00 N ATOM 19 CA THR A 2 7.579 -2.999 10.015 1.00 0.00 C ATOM 20 C THR A 2 6.586 -2.412 9.019 1.00 0.00 C ATOM 21 O THR A 2 6.425 -2.904 7.902 1.00 0.00 O ATOM 22 CB THR A 2 8.512 -3.978 9.276 1.00 0.00 C ATOM 23 OG1 THR A 2 9.368 -4.640 10.213 1.00 0.00 O ATOM 24 CG2 THR A 2 9.353 -3.247 8.241 1.00 0.00 C ATOM 0 H THR A 2 7.152 -3.304 12.044 1.00 0.00 H new ATOM 0 HA THR A 2 8.175 -2.195 10.445 1.00 0.00 H new ATOM 0 HB THR A 2 7.895 -4.716 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.957 -5.262 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.004 -3.959 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.698 -2.769 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.961 -2.489 8.735 1.00 0.00 H new ATOM 32 N PRO A 3 5.901 -1.334 9.430 1.00 0.00 N ATOM 33 CA PRO A 3 4.912 -0.655 8.588 1.00 0.00 C ATOM 34 C PRO A 3 5.554 0.078 7.415 1.00 0.00 C ATOM 35 O PRO A 3 4.982 0.153 6.327 1.00 0.00 O ATOM 36 CB PRO A 3 4.254 0.341 9.546 1.00 0.00 C ATOM 37 CG PRO A 3 5.282 0.595 10.594 1.00 0.00 C ATOM 38 CD PRO A 3 6.042 -0.694 10.749 1.00 0.00 C ATOM 0 HA PRO A 3 4.212 -1.357 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.977 1.261 9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.341 -0.069 9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.947 1.407 10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.816 0.889 11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.088 -0.516 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.625 -1.313 11.543 1.00 0.00 H new ATOM 46 N THR A 4 6.747 0.618 7.643 1.00 0.00 N ATOM 47 CA THR A 4 7.467 1.347 6.606 1.00 0.00 C ATOM 48 C THR A 4 8.840 1.790 7.097 1.00 0.00 C ATOM 49 O THR A 4 9.096 1.882 8.298 1.00 0.00 O ATOM 50 CB THR A 4 6.678 2.584 6.137 1.00 0.00 C ATOM 51 OG1 THR A 4 5.655 2.901 7.088 1.00 0.00 O ATOM 52 CG2 THR A 4 6.050 2.340 4.773 1.00 0.00 C ATOM 0 H THR A 4 7.235 0.564 8.537 1.00 0.00 H new ATOM 0 HA THR A 4 7.588 0.663 5.766 1.00 0.00 H new ATOM 0 HB THR A 4 7.371 3.421 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.265 3.773 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.498 3.227 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.833 2.126 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.369 1.491 4.833 1.00 0.00 H new ATOM 60 N PRO A 5 9.746 2.074 6.149 1.00 0.00 N ATOM 61 CA PRO A 5 11.108 2.514 6.463 1.00 0.00 C ATOM 62 C PRO A 5 11.142 3.920 7.053 1.00 0.00 C ATOM 63 O PRO A 5 12.053 4.267 7.806 1.00 0.00 O ATOM 64 CB PRO A 5 11.811 2.489 5.103 1.00 0.00 C ATOM 65 CG PRO A 5 10.716 2.661 4.108 1.00 0.00 C ATOM 66 CD PRO A 5 9.509 1.987 4.699 1.00 0.00 C ATOM 0 HA PRO A 5 11.578 1.879 7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.548 3.288 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.342 1.550 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.521 3.717 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.984 2.212 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.586 2.491 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.424 0.952 4.367 1.00 0.00 H new ATOM 74 N THR A 6 10.142 4.726 6.708 1.00 0.00 N ATOM 75 CA THR A 6 10.058 6.094 7.204 1.00 0.00 C ATOM 76 C THR A 6 8.610 6.568 7.265 1.00 0.00 C ATOM 77 O THR A 6 8.167 7.390 6.462 1.00 0.00 O ATOM 78 CB THR A 6 10.867 7.062 6.320 1.00 0.00 C ATOM 79 OG1 THR A 6 10.851 6.614 4.961 1.00 0.00 O ATOM 80 CG2 THR A 6 12.304 7.168 6.809 1.00 0.00 C ATOM 0 H THR A 6 9.379 4.455 6.087 1.00 0.00 H new ATOM 0 HA THR A 6 10.480 6.093 8.209 1.00 0.00 H new ATOM 0 HB THR A 6 10.406 8.048 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.366 7.236 4.406 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.856 7.857 6.170 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.313 7.538 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.774 6.185 6.774 1.00 0.00 H new ATOM 88 N PRO A 7 7.854 6.041 8.239 1.00 0.00 N ATOM 89 CA PRO A 7 6.445 6.397 8.428 1.00 0.00 C ATOM 90 C PRO A 7 6.271 7.826 8.933 1.00 0.00 C ATOM 91 O PRO A 7 6.834 8.203 9.961 1.00 0.00 O ATOM 92 CB PRO A 7 5.964 5.396 9.481 1.00 0.00 C ATOM 93 CG PRO A 7 7.194 5.014 10.230 1.00 0.00 C ATOM 94 CD PRO A 7 8.317 5.056 9.231 1.00 0.00 C ATOM 0 HA PRO A 7 5.885 6.355 7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.221 5.843 10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.497 4.527 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.379 5.703 11.054 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.094 4.019 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.255 5.362 9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.489 4.080 8.778 1.00 0.00 H new ATOM 102 N ILE A 8 5.489 8.614 8.203 1.00 0.00 N ATOM 103 CA ILE A 8 5.241 10.001 8.579 1.00 0.00 C ATOM 104 C ILE A 8 3.903 10.145 9.296 1.00 0.00 C ATOM 105 O ILE A 8 2.881 9.633 8.837 1.00 0.00 O ATOM 106 CB ILE A 8 5.253 10.928 7.349 1.00 0.00 C ATOM 107 CG1 ILE A 8 6.529 10.712 6.533 1.00 0.00 C ATOM 108 CG2 ILE A 8 5.134 12.382 7.781 1.00 0.00 C ATOM 109 CD1 ILE A 8 7.799 10.926 7.328 1.00 0.00 C ATOM 0 H ILE A 8 5.017 8.317 7.349 1.00 0.00 H new ATOM 0 HA ILE A 8 6.046 10.294 9.253 1.00 0.00 H new ATOM 0 HB ILE A 8 4.397 10.685 6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.527 9.698 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.525 11.391 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.144 13.025 6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.200 12.525 8.324 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.973 12.639 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.663 10.756 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.824 11.948 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.826 10.229 8.165 1.00 0.00 H new ATOM 121 N CYS A 9 3.915 10.846 10.425 1.00 0.00 N ATOM 122 CA CYS A 9 2.703 11.059 11.207 1.00 0.00 C ATOM 123 C CYS A 9 2.401 12.548 11.346 1.00 0.00 C ATOM 124 O CYS A 9 3.286 13.390 11.189 1.00 0.00 O ATOM 125 CB CYS A 9 2.846 10.425 12.592 1.00 0.00 C ATOM 126 SG CYS A 9 2.618 8.618 12.609 1.00 0.00 S ATOM 0 H CYS A 9 4.752 11.277 10.819 1.00 0.00 H new ATOM 0 HA CYS A 9 1.874 10.585 10.682 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.834 10.660 12.987 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.118 10.879 13.265 1.00 0.00 H new ATOM 131 N LYS A 10 1.145 12.867 11.641 1.00 0.00 N ATOM 132 CA LYS A 10 0.725 14.253 11.804 1.00 0.00 C ATOM 133 C LYS A 10 0.200 14.501 13.214 1.00 0.00 C ATOM 134 O LYS A 10 -0.565 13.700 13.752 1.00 0.00 O ATOM 135 CB LYS A 10 -0.355 14.604 10.777 1.00 0.00 C ATOM 136 CG LYS A 10 -1.716 14.013 11.101 1.00 0.00 C ATOM 137 CD LYS A 10 -2.471 13.627 9.840 1.00 0.00 C ATOM 138 CE LYS A 10 -3.896 13.196 10.153 1.00 0.00 C ATOM 139 NZ LYS A 10 -4.076 11.725 10.000 1.00 0.00 N ATOM 0 H LYS A 10 0.400 12.183 11.772 1.00 0.00 H new ATOM 0 HA LYS A 10 1.594 14.891 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.445 15.688 10.713 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.039 14.251 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.591 13.135 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.301 14.735 11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.488 14.472 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.947 12.816 9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.149 13.489 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.587 13.717 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.060 11.471 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.859 11.449 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.435 11.227 10.650 1.00 0.00 H new ATOM 153 N SER A 11 0.614 15.616 13.807 1.00 0.00 N ATOM 154 CA SER A 11 0.187 15.968 15.157 1.00 0.00 C ATOM 155 C SER A 11 0.162 17.482 15.341 1.00 0.00 C ATOM 156 O SER A 11 0.953 18.205 14.735 1.00 0.00 O ATOM 157 CB SER A 11 1.117 15.331 16.191 1.00 0.00 C ATOM 158 OG SER A 11 2.330 14.907 15.594 1.00 0.00 O ATOM 0 H SER A 11 1.244 16.291 13.374 1.00 0.00 H new ATOM 0 HA SER A 11 -0.823 15.585 15.304 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.330 16.048 16.984 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.620 14.480 16.656 1.00 0.00 H new ATOM 0 HG SER A 11 2.435 13.941 15.718 1.00 0.00 H new ATOM 164 N ARG A 12 -0.751 17.955 16.183 1.00 0.00 N ATOM 165 CA ARG A 12 -0.881 19.383 16.447 1.00 0.00 C ATOM 166 C ARG A 12 0.039 19.810 17.587 1.00 0.00 C ATOM 167 O ARG A 12 0.245 19.064 18.545 1.00 0.00 O ATOM 168 CB ARG A 12 -2.330 19.730 16.789 1.00 0.00 C ATOM 169 CG ARG A 12 -2.896 18.917 17.942 1.00 0.00 C ATOM 170 CD ARG A 12 -4.195 19.514 18.461 1.00 0.00 C ATOM 171 NE ARG A 12 -4.084 19.940 19.853 1.00 0.00 N ATOM 172 CZ ARG A 12 -5.131 20.143 20.645 1.00 0.00 C ATOM 173 NH1 ARG A 12 -6.360 19.958 20.185 1.00 0.00 N ATOM 174 NH2 ARG A 12 -4.948 20.530 21.901 1.00 0.00 N ATOM 0 H ARG A 12 -1.412 17.370 16.694 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.589 19.922 15.546 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.392 20.789 17.038 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.950 19.573 15.906 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.071 17.892 17.614 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.166 18.873 18.750 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.475 20.367 17.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.994 18.778 18.370 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.152 20.090 20.238 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.504 19.659 19.221 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.162 20.115 20.795 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.003 20.672 22.258 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.752 20.686 22.509 1.00 0.00 H new ATOM 188 N SER A 13 0.590 21.015 17.476 1.00 0.00 N ATOM 189 CA SER A 13 1.491 21.539 18.495 1.00 0.00 C ATOM 190 C SER A 13 1.086 22.953 18.903 1.00 0.00 C ATOM 191 O SER A 13 1.042 23.862 18.074 1.00 0.00 O ATOM 192 CB SER A 13 2.932 21.538 17.982 1.00 0.00 C ATOM 193 OG SER A 13 3.410 20.216 17.806 1.00 0.00 O ATOM 0 H SER A 13 0.428 21.646 16.691 1.00 0.00 H new ATOM 0 HA SER A 13 1.424 20.893 19.370 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.985 22.076 17.036 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.572 22.069 18.686 1.00 0.00 H new ATOM 0 HG SER A 13 4.332 20.243 17.476 1.00 0.00 H new ATOM 199 N HIS A 14 0.791 23.130 20.187 1.00 0.00 N ATOM 200 CA HIS A 14 0.390 24.432 20.707 1.00 0.00 C ATOM 201 C HIS A 14 1.383 25.513 20.289 1.00 0.00 C ATOM 202 O HIS A 14 2.431 25.218 19.718 1.00 0.00 O ATOM 203 CB HIS A 14 0.280 24.385 22.231 1.00 0.00 C ATOM 204 CG HIS A 14 -0.988 23.758 22.721 1.00 0.00 C ATOM 205 ND1 HIS A 14 -2.239 24.252 22.416 1.00 0.00 N ATOM 206 CD2 HIS A 14 -1.195 22.669 23.498 1.00 0.00 C ATOM 207 CE1 HIS A 14 -3.160 23.495 22.985 1.00 0.00 C ATOM 208 NE2 HIS A 14 -2.553 22.527 23.648 1.00 0.00 N ATOM 0 H HIS A 14 0.822 22.388 20.886 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.586 24.678 20.288 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.128 23.830 22.631 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.349 25.400 22.623 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.434 22.030 23.921 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.228 23.642 22.919 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.017 21.794 24.184 1.00 0.00 H new ATOM 216 N GLU A 15 1.043 26.766 20.579 1.00 0.00 N ATOM 217 CA GLU A 15 1.905 27.889 20.232 1.00 0.00 C ATOM 218 C GLU A 15 1.821 28.198 18.740 1.00 0.00 C ATOM 219 O GLU A 15 1.472 29.311 18.343 1.00 0.00 O ATOM 220 CB GLU A 15 3.354 27.589 20.621 1.00 0.00 C ATOM 221 CG GLU A 15 4.170 28.832 20.932 1.00 0.00 C ATOM 222 CD GLU A 15 5.604 28.724 20.450 1.00 0.00 C ATOM 223 OE1 GLU A 15 6.374 27.944 21.047 1.00 0.00 O ATOM 224 OE2 GLU A 15 5.955 29.420 19.474 1.00 0.00 O ATOM 0 H GLU A 15 0.178 27.028 21.052 1.00 0.00 H new ATOM 0 HA GLU A 15 1.561 28.762 20.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.359 26.934 21.492 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.834 27.043 19.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.698 29.698 20.467 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.164 29.006 22.008 1.00 0.00 H new ATOM 231 N TYR A 16 2.144 27.207 17.917 1.00 0.00 N ATOM 232 CA TYR A 16 2.109 27.372 16.469 1.00 0.00 C ATOM 233 C TYR A 16 1.225 26.311 15.821 1.00 0.00 C ATOM 234 O TYR A 16 1.686 25.218 15.492 1.00 0.00 O ATOM 235 CB TYR A 16 3.523 27.296 15.891 1.00 0.00 C ATOM 236 CG TYR A 16 3.940 28.542 15.143 1.00 0.00 C ATOM 237 CD1 TYR A 16 3.678 28.681 13.786 1.00 0.00 C ATOM 238 CD2 TYR A 16 4.594 29.581 15.794 1.00 0.00 C ATOM 239 CE1 TYR A 16 4.057 29.818 13.098 1.00 0.00 C ATOM 240 CE2 TYR A 16 4.976 30.722 15.114 1.00 0.00 C ATOM 241 CZ TYR A 16 4.705 30.835 13.767 1.00 0.00 C ATOM 242 OH TYR A 16 5.084 31.969 13.085 1.00 0.00 O ATOM 0 H TYR A 16 2.433 26.280 18.228 1.00 0.00 H new ATOM 0 HA TYR A 16 1.687 28.353 16.251 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.229 27.116 16.702 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.586 26.441 15.218 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.169 27.887 13.260 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.807 29.495 16.849 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.847 29.910 12.043 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.484 31.520 15.635 1.00 0.00 H new ATOM 0 HH TYR A 16 5.528 32.588 13.701 1.00 0.00 H new ATOM 252 N LYS A 17 -0.049 26.643 15.639 1.00 0.00 N ATOM 253 CA LYS A 17 -1.000 25.721 15.028 1.00 0.00 C ATOM 254 C LYS A 17 -2.306 26.433 14.688 1.00 0.00 C ATOM 255 O LYS A 17 -3.389 25.871 14.843 1.00 0.00 O ATOM 256 CB LYS A 17 -1.278 24.545 15.968 1.00 0.00 C ATOM 257 CG LYS A 17 -1.443 24.954 17.421 1.00 0.00 C ATOM 258 CD LYS A 17 -2.730 25.731 17.639 1.00 0.00 C ATOM 259 CE LYS A 17 -2.970 26.009 19.115 1.00 0.00 C ATOM 260 NZ LYS A 17 -4.178 26.854 19.331 1.00 0.00 N ATOM 0 H LYS A 17 -0.447 27.544 15.906 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.560 25.344 14.104 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.182 24.033 15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.460 23.828 15.892 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.442 24.065 18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.593 25.563 17.727 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.684 26.673 17.093 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.570 25.167 17.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.087 25.065 19.648 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.098 26.508 19.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.307 27.021 20.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.056 27.765 18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.015 26.367 18.951 1.00 0.00 H new ATOM 274 N GLY A 18 -2.194 27.674 14.222 1.00 0.00 N ATOM 275 CA GLY A 18 -3.373 28.441 13.867 1.00 0.00 C ATOM 276 C GLY A 18 -3.030 29.813 13.323 1.00 0.00 C ATOM 277 O GLY A 18 -3.785 30.768 13.507 1.00 0.00 O ATOM 0 H GLY A 18 -1.308 28.161 14.084 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.949 27.892 13.122 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.009 28.550 14.745 1.00 0.00 H new ATOM 281 N ARG A 19 -1.887 29.913 12.652 1.00 0.00 N ATOM 282 CA ARG A 19 -1.444 31.180 12.082 1.00 0.00 C ATOM 283 C ARG A 19 -0.111 31.013 11.358 1.00 0.00 C ATOM 284 O ARG A 19 0.924 30.782 11.984 1.00 0.00 O ATOM 285 CB ARG A 19 -1.311 32.238 13.179 1.00 0.00 C ATOM 286 CG ARG A 19 -2.063 33.524 12.878 1.00 0.00 C ATOM 287 CD ARG A 19 -1.294 34.745 13.360 1.00 0.00 C ATOM 288 NE ARG A 19 -2.089 35.966 13.261 1.00 0.00 N ATOM 289 CZ ARG A 19 -1.776 37.098 13.881 1.00 0.00 C ATOM 290 NH1 ARG A 19 -0.691 37.165 14.640 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.549 38.168 13.742 1.00 0.00 N ATOM 0 H ARG A 19 -1.251 29.132 12.490 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.192 31.507 11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.678 31.824 14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.256 32.469 13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.237 33.602 11.805 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.041 33.496 13.358 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.987 34.595 14.395 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.384 34.856 12.771 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.930 35.948 12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.094 36.345 14.749 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.454 38.036 15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.384 38.121 13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.308 39.037 14.219 1.00 0.00 H new ATOM 305 N CYS A 20 -0.144 31.132 10.035 1.00 0.00 N ATOM 306 CA CYS A 20 1.060 30.994 9.224 1.00 0.00 C ATOM 307 C CYS A 20 0.749 31.218 7.747 1.00 0.00 C ATOM 308 O CYS A 20 1.391 32.033 7.083 1.00 0.00 O ATOM 309 CB CYS A 20 1.678 29.608 9.422 1.00 0.00 C ATOM 310 SG CYS A 20 0.456 28.273 9.630 1.00 0.00 S ATOM 0 H CYS A 20 -0.992 31.324 9.501 1.00 0.00 H new ATOM 0 HA CYS A 20 1.774 31.752 9.546 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.310 29.378 8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.326 29.633 10.298 1.00 0.00 H new ATOM 315 N ILE A 21 -0.239 30.489 7.239 1.00 0.00 N ATOM 316 CA ILE A 21 -0.635 30.608 5.841 1.00 0.00 C ATOM 317 C ILE A 21 0.449 30.069 4.914 1.00 0.00 C ATOM 318 O ILE A 21 0.347 30.183 3.693 1.00 0.00 O ATOM 319 CB ILE A 21 -0.935 32.071 5.465 1.00 0.00 C ATOM 320 CG1 ILE A 21 -1.753 32.747 6.567 1.00 0.00 C ATOM 321 CG2 ILE A 21 -1.674 32.135 4.136 1.00 0.00 C ATOM 322 CD1 ILE A 21 -3.050 32.036 6.880 1.00 0.00 C ATOM 0 H ILE A 21 -0.780 29.810 7.774 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.542 30.015 5.718 1.00 0.00 H new ATOM 0 HB ILE A 21 0.010 32.604 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.150 32.802 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.973 33.772 6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.879 33.175 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.059 31.687 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.614 31.589 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.577 32.571 7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.672 32.004 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.837 31.019 7.210 1.00 0.00 H new ATOM 334 N GLN A 22 1.484 29.479 5.503 1.00 0.00 N ATOM 335 CA GLN A 22 2.586 28.920 4.729 1.00 0.00 C ATOM 336 C GLN A 22 3.157 27.681 5.411 1.00 0.00 C ATOM 337 O GLN A 22 3.565 27.731 6.571 1.00 0.00 O ATOM 338 CB GLN A 22 3.687 29.966 4.542 1.00 0.00 C ATOM 339 CG GLN A 22 3.449 30.894 3.362 1.00 0.00 C ATOM 340 CD GLN A 22 3.548 32.358 3.742 1.00 0.00 C ATOM 341 OE1 GLN A 22 4.603 32.831 4.166 1.00 0.00 O ATOM 342 NE2 GLN A 22 2.447 33.085 3.591 1.00 0.00 N ATOM 0 H GLN A 22 1.583 29.376 6.513 1.00 0.00 H new ATOM 0 HA GLN A 22 2.200 28.629 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.769 30.561 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.641 29.457 4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.176 30.675 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.462 30.697 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.594 32.652 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.454 34.077 3.830 1.00 0.00 H new ATOM 351 N ASP A 23 3.181 26.570 4.683 1.00 0.00 N ATOM 352 CA ASP A 23 3.702 25.317 5.217 1.00 0.00 C ATOM 353 C ASP A 23 5.156 25.475 5.653 1.00 0.00 C ATOM 354 O ASP A 23 5.578 24.905 6.659 1.00 0.00 O ATOM 355 CB ASP A 23 3.588 24.206 4.172 1.00 0.00 C ATOM 356 CG ASP A 23 4.690 24.272 3.133 1.00 0.00 C ATOM 357 OD1 ASP A 23 4.545 25.045 2.163 1.00 0.00 O ATOM 358 OD2 ASP A 23 5.698 23.552 3.291 1.00 0.00 O ATOM 0 H ASP A 23 2.846 26.512 3.721 1.00 0.00 H new ATOM 0 HA ASP A 23 3.107 25.047 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.621 23.237 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.620 24.276 3.676 1.00 0.00 H new ATOM 363 N MET A 24 5.917 26.251 4.888 1.00 0.00 N ATOM 364 CA MET A 24 7.323 26.483 5.195 1.00 0.00 C ATOM 365 C MET A 24 7.488 27.013 6.616 1.00 0.00 C ATOM 366 O MET A 24 8.314 26.516 7.382 1.00 0.00 O ATOM 367 CB MET A 24 7.929 27.471 4.197 1.00 0.00 C ATOM 368 CG MET A 24 8.891 26.826 3.212 1.00 0.00 C ATOM 369 SD MET A 24 9.048 27.763 1.679 1.00 0.00 S ATOM 370 CE MET A 24 9.626 26.489 0.561 1.00 0.00 C ATOM 0 H MET A 24 5.583 26.730 4.051 1.00 0.00 H new ATOM 0 HA MET A 24 7.848 25.531 5.117 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.125 27.955 3.643 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.454 28.253 4.746 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.872 26.731 3.677 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.548 25.817 2.983 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.771 26.915 -0.432 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.572 26.087 0.925 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.888 25.689 0.509 1.00 0.00 H new ATOM 380 N ASP A 25 6.698 28.024 6.961 1.00 0.00 N ATOM 381 CA ASP A 25 6.757 28.621 8.291 1.00 0.00 C ATOM 382 C ASP A 25 6.325 27.618 9.356 1.00 0.00 C ATOM 383 O ASP A 25 7.021 27.415 10.351 1.00 0.00 O ATOM 384 CB ASP A 25 5.870 29.865 8.354 1.00 0.00 C ATOM 385 CG ASP A 25 6.572 31.104 7.833 1.00 0.00 C ATOM 386 OD1 ASP A 25 7.618 30.957 7.167 1.00 0.00 O ATOM 387 OD2 ASP A 25 6.075 32.220 8.092 1.00 0.00 O ATOM 0 H ASP A 25 6.010 28.447 6.339 1.00 0.00 H new ATOM 0 HA ASP A 25 7.789 28.910 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.965 29.692 7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.559 30.034 9.385 1.00 0.00 H new ATOM 392 N CYS A 26 5.171 26.994 9.141 1.00 0.00 N ATOM 393 CA CYS A 26 4.644 26.014 10.082 1.00 0.00 C ATOM 394 C CYS A 26 5.657 24.899 10.330 1.00 0.00 C ATOM 395 O CYS A 26 5.818 24.434 11.458 1.00 0.00 O ATOM 396 CB CYS A 26 3.336 25.421 9.555 1.00 0.00 C ATOM 397 SG CYS A 26 2.079 26.665 9.119 1.00 0.00 S ATOM 0 H CYS A 26 4.583 27.150 8.322 1.00 0.00 H new ATOM 0 HA CYS A 26 4.450 26.522 11.027 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.553 24.815 8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.923 24.751 10.309 1.00 0.00 H new ATOM 402 N ASN A 27 6.336 24.477 9.269 1.00 0.00 N ATOM 403 CA ASN A 27 7.332 23.417 9.371 1.00 0.00 C ATOM 404 C ASN A 27 8.398 23.770 10.405 1.00 0.00 C ATOM 405 O ASN A 27 8.702 22.975 11.293 1.00 0.00 O ATOM 406 CB ASN A 27 7.988 23.172 8.010 1.00 0.00 C ATOM 407 CG ASN A 27 8.768 21.873 7.970 1.00 0.00 C ATOM 408 OD1 ASN A 27 8.216 20.812 7.676 1.00 0.00 O ATOM 409 ND2 ASN A 27 10.060 21.949 8.268 1.00 0.00 N ATOM 0 H ASN A 27 6.215 24.853 8.329 1.00 0.00 H new ATOM 0 HA ASN A 27 6.826 22.507 9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.220 23.155 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.656 24.001 7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.636 21.107 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.476 22.849 8.506 1.00 0.00 H new ATOM 416 N ALA A 28 8.960 24.968 10.281 1.00 0.00 N ATOM 417 CA ALA A 28 9.989 25.427 11.206 1.00 0.00 C ATOM 418 C ALA A 28 9.436 25.560 12.621 1.00 0.00 C ATOM 419 O ALA A 28 10.146 25.329 13.599 1.00 0.00 O ATOM 420 CB ALA A 28 10.567 26.754 10.736 1.00 0.00 C ATOM 0 H ALA A 28 8.720 25.638 9.550 1.00 0.00 H new ATOM 0 HA ALA A 28 10.785 24.682 11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.334 27.085 11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.008 26.629 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.774 27.500 10.688 1.00 0.00 H new ATOM 426 N ALA A 29 8.165 25.934 12.722 1.00 0.00 N ATOM 427 CA ALA A 29 7.517 26.096 14.017 1.00 0.00 C ATOM 428 C ALA A 29 7.532 24.791 14.805 1.00 0.00 C ATOM 429 O ALA A 29 7.798 24.782 16.008 1.00 0.00 O ATOM 430 CB ALA A 29 6.089 26.589 13.835 1.00 0.00 C ATOM 0 H ALA A 29 7.564 26.131 11.922 1.00 0.00 H new ATOM 0 HA ALA A 29 8.076 26.839 14.585 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.617 26.705 14.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.099 27.549 13.320 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.527 25.866 13.244 1.00 0.00 H new ATOM 436 N CYS A 30 7.243 23.689 14.121 1.00 0.00 N ATOM 437 CA CYS A 30 7.221 22.377 14.757 1.00 0.00 C ATOM 438 C CYS A 30 8.631 21.935 15.140 1.00 0.00 C ATOM 439 O CYS A 30 8.913 21.666 16.308 1.00 0.00 O ATOM 440 CB CYS A 30 6.587 21.344 13.823 1.00 0.00 C ATOM 441 SG CYS A 30 5.088 21.933 12.973 1.00 0.00 S ATOM 0 H CYS A 30 7.021 23.679 13.126 1.00 0.00 H new ATOM 0 HA CYS A 30 6.623 22.451 15.665 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.322 21.046 13.076 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.339 20.453 14.399 1.00 0.00 H new ATOM 446 N VAL A 31 9.512 21.862 14.148 1.00 0.00 N ATOM 447 CA VAL A 31 10.893 21.454 14.380 1.00 0.00 C ATOM 448 C VAL A 31 11.555 22.332 15.436 1.00 0.00 C ATOM 449 O VAL A 31 12.537 21.935 16.064 1.00 0.00 O ATOM 450 CB VAL A 31 11.722 21.515 13.083 1.00 0.00 C ATOM 451 CG1 VAL A 31 11.576 20.223 12.295 1.00 0.00 C ATOM 452 CG2 VAL A 31 11.306 22.712 12.242 1.00 0.00 C ATOM 0 H VAL A 31 9.294 22.080 13.176 1.00 0.00 H new ATOM 0 HA VAL A 31 10.864 20.424 14.735 1.00 0.00 H new ATOM 0 HB VAL A 31 12.773 21.633 13.348 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.169 20.285 11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.927 19.387 12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.528 20.070 12.038 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.901 22.740 11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.250 22.626 11.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.468 23.629 12.809 1.00 0.00 H new ATOM 462 N LYS A 32 11.012 23.530 15.627 1.00 0.00 N ATOM 463 CA LYS A 32 11.548 24.466 16.608 1.00 0.00 C ATOM 464 C LYS A 32 10.773 24.384 17.919 1.00 0.00 C ATOM 465 O LYS A 32 11.254 24.822 18.963 1.00 0.00 O ATOM 466 CB LYS A 32 11.496 25.894 16.061 1.00 0.00 C ATOM 467 CG LYS A 32 12.359 26.874 16.838 1.00 0.00 C ATOM 468 CD LYS A 32 13.593 27.278 16.048 1.00 0.00 C ATOM 469 CE LYS A 32 13.476 28.699 15.519 1.00 0.00 C ATOM 470 NZ LYS A 32 14.804 29.271 15.166 1.00 0.00 N ATOM 0 H LYS A 32 10.200 23.875 15.115 1.00 0.00 H new ATOM 0 HA LYS A 32 12.586 24.195 16.803 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.816 25.887 15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.463 26.242 16.075 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.775 27.761 17.081 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.662 26.423 17.783 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.475 27.197 16.683 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.735 26.589 15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.832 28.707 14.640 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.998 29.328 16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.681 30.240 14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.411 29.287 16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.250 28.686 14.431 1.00 0.00 H new ATOM 484 N GLU A 33 9.571 23.817 17.856 1.00 0.00 N ATOM 485 CA GLU A 33 8.731 23.677 19.039 1.00 0.00 C ATOM 486 C GLU A 33 9.251 22.567 19.948 1.00 0.00 C ATOM 487 O GLU A 33 9.321 22.729 21.166 1.00 0.00 O ATOM 488 CB GLU A 33 7.285 23.384 18.634 1.00 0.00 C ATOM 489 CG GLU A 33 6.365 24.589 18.745 1.00 0.00 C ATOM 490 CD GLU A 33 4.909 24.198 18.904 1.00 0.00 C ATOM 491 OE1 GLU A 33 4.540 23.708 19.992 1.00 0.00 O ATOM 492 OE2 GLU A 33 4.137 24.383 17.939 1.00 0.00 O ATOM 0 H GLU A 33 9.159 23.448 16.999 1.00 0.00 H new ATOM 0 HA GLU A 33 8.763 24.618 19.589 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.271 23.020 17.607 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.896 22.582 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.669 25.197 19.597 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.476 25.209 17.856 1.00 0.00 H new ATOM 499 N SER A 34 9.613 21.439 19.346 1.00 0.00 N ATOM 500 CA SER A 34 10.122 20.299 20.100 1.00 0.00 C ATOM 501 C SER A 34 11.359 19.712 19.427 1.00 0.00 C ATOM 502 O SER A 34 11.916 20.304 18.503 1.00 0.00 O ATOM 503 CB SER A 34 9.041 19.225 20.233 1.00 0.00 C ATOM 504 OG SER A 34 8.898 18.810 21.580 1.00 0.00 O ATOM 0 H SER A 34 9.563 21.290 18.338 1.00 0.00 H new ATOM 0 HA SER A 34 10.402 20.647 21.094 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.091 19.613 19.866 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.297 18.368 19.610 1.00 0.00 H new ATOM 0 HG SER A 34 8.200 18.125 21.639 1.00 0.00 H new ATOM 510 N GLU A 35 11.783 18.543 19.898 1.00 0.00 N ATOM 511 CA GLU A 35 12.954 17.876 19.343 1.00 0.00 C ATOM 512 C GLU A 35 12.582 16.512 18.769 1.00 0.00 C ATOM 513 O GLU A 35 13.438 15.643 18.600 1.00 0.00 O ATOM 514 CB GLU A 35 14.032 17.712 20.417 1.00 0.00 C ATOM 515 CG GLU A 35 13.518 17.095 21.707 1.00 0.00 C ATOM 516 CD GLU A 35 13.717 18.000 22.907 1.00 0.00 C ATOM 517 OE1 GLU A 35 14.757 18.688 22.964 1.00 0.00 O ATOM 518 OE2 GLU A 35 12.833 18.021 23.788 1.00 0.00 O ATOM 0 H GLU A 35 11.333 18.039 20.662 1.00 0.00 H new ATOM 0 HA GLU A 35 13.345 18.496 18.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.835 17.090 20.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.464 18.688 20.638 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.457 16.869 21.599 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.030 16.149 21.882 1.00 0.00 H new ATOM 525 N SER A 36 11.300 16.332 18.470 1.00 0.00 N ATOM 526 CA SER A 36 10.812 15.074 17.918 1.00 0.00 C ATOM 527 C SER A 36 10.167 15.293 16.553 1.00 0.00 C ATOM 528 O SER A 36 10.211 14.420 15.686 1.00 0.00 O ATOM 529 CB SER A 36 9.806 14.429 18.873 1.00 0.00 C ATOM 530 OG SER A 36 10.136 13.074 19.123 1.00 0.00 O ATOM 0 H SER A 36 10.580 17.042 18.601 1.00 0.00 H new ATOM 0 HA SER A 36 11.664 14.406 17.794 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.787 14.981 19.813 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.805 14.490 18.447 1.00 0.00 H new ATOM 0 HG SER A 36 9.479 12.685 19.737 1.00 0.00 H new ATOM 536 N TYR A 37 9.567 16.464 16.370 1.00 0.00 N ATOM 537 CA TYR A 37 8.910 16.798 15.112 1.00 0.00 C ATOM 538 C TYR A 37 9.928 17.238 14.066 1.00 0.00 C ATOM 539 O TYR A 37 10.665 18.205 14.265 1.00 0.00 O ATOM 540 CB TYR A 37 7.876 17.904 15.331 1.00 0.00 C ATOM 541 CG TYR A 37 6.866 17.584 16.409 1.00 0.00 C ATOM 542 CD1 TYR A 37 5.700 16.889 16.112 1.00 0.00 C ATOM 543 CD2 TYR A 37 7.077 17.976 17.726 1.00 0.00 C ATOM 544 CE1 TYR A 37 4.773 16.595 17.094 1.00 0.00 C ATOM 545 CE2 TYR A 37 6.157 17.685 18.714 1.00 0.00 C ATOM 546 CZ TYR A 37 5.007 16.995 18.394 1.00 0.00 C ATOM 547 OH TYR A 37 4.087 16.703 19.375 1.00 0.00 O ATOM 0 H TYR A 37 9.522 17.198 17.077 1.00 0.00 H new ATOM 0 HA TYR A 37 8.405 15.904 14.747 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.394 18.827 15.592 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.349 18.088 14.395 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.515 16.573 15.096 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.976 18.518 17.981 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.871 16.056 16.846 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.337 17.996 19.732 1.00 0.00 H new ATOM 0 HH TYR A 37 4.403 17.053 20.234 1.00 0.00 H new ATOM 557 N THR A 38 9.965 16.521 12.947 1.00 0.00 N ATOM 558 CA THR A 38 10.892 16.835 11.867 1.00 0.00 C ATOM 559 C THR A 38 10.147 17.283 10.615 1.00 0.00 C ATOM 560 O THR A 38 10.606 17.062 9.495 1.00 0.00 O ATOM 561 CB THR A 38 11.779 15.625 11.518 1.00 0.00 C ATOM 562 OG1 THR A 38 12.875 16.041 10.696 1.00 0.00 O ATOM 563 CG2 THR A 38 10.974 14.555 10.795 1.00 0.00 C ATOM 0 H THR A 38 9.363 15.718 12.765 1.00 0.00 H new ATOM 0 HA THR A 38 11.524 17.649 12.221 1.00 0.00 H new ATOM 0 HB THR A 38 12.162 15.204 12.447 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.535 16.552 9.932 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.621 13.710 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.158 14.219 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.565 14.968 9.873 1.00 0.00 H new ATOM 571 N GLY A 39 8.994 17.915 10.812 1.00 0.00 N ATOM 572 CA GLY A 39 8.204 18.384 9.689 1.00 0.00 C ATOM 573 C GLY A 39 6.944 19.105 10.127 1.00 0.00 C ATOM 574 O GLY A 39 6.619 19.136 11.313 1.00 0.00 O ATOM 0 H GLY A 39 8.593 18.110 11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.809 19.054 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.934 17.536 9.060 1.00 0.00 H new ATOM 578 N GLY A 40 6.233 19.688 9.167 1.00 0.00 N ATOM 579 CA GLY A 40 5.011 20.405 9.480 1.00 0.00 C ATOM 580 C GLY A 40 4.541 21.278 8.333 1.00 0.00 C ATOM 581 O GLY A 40 5.350 21.899 7.644 1.00 0.00 O ATOM 0 H GLY A 40 6.482 19.677 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.228 19.690 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.173 21.025 10.362 1.00 0.00 H new ATOM 585 N PHE A 41 3.229 21.325 8.127 1.00 0.00 N ATOM 586 CA PHE A 41 2.652 22.126 7.053 1.00 0.00 C ATOM 587 C PHE A 41 1.486 22.965 7.567 1.00 0.00 C ATOM 588 O PHE A 41 0.996 22.754 8.677 1.00 0.00 O ATOM 589 CB PHE A 41 2.181 21.223 5.911 1.00 0.00 C ATOM 590 CG PHE A 41 1.398 20.029 6.376 1.00 0.00 C ATOM 591 CD1 PHE A 41 2.047 18.880 6.800 1.00 0.00 C ATOM 592 CD2 PHE A 41 0.013 20.054 6.388 1.00 0.00 C ATOM 593 CE1 PHE A 41 1.329 17.780 7.227 1.00 0.00 C ATOM 594 CE2 PHE A 41 -0.711 18.956 6.815 1.00 0.00 C ATOM 595 CZ PHE A 41 -0.052 17.818 7.236 1.00 0.00 C ATOM 0 H PHE A 41 2.545 20.818 8.689 1.00 0.00 H new ATOM 0 HA PHE A 41 3.424 22.799 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.566 21.807 5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.049 20.881 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.126 18.844 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.508 20.942 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.847 16.890 7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.791 18.988 6.819 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.615 16.960 7.572 1.00 0.00 H new ATOM 605 N CYS A 42 1.047 23.919 6.753 1.00 0.00 N ATOM 606 CA CYS A 42 -0.060 24.792 7.123 1.00 0.00 C ATOM 607 C CYS A 42 -1.170 24.736 6.078 1.00 0.00 C ATOM 608 O CYS A 42 -0.905 24.704 4.877 1.00 0.00 O ATOM 609 CB CYS A 42 0.431 26.232 7.285 1.00 0.00 C ATOM 610 SG CYS A 42 1.260 26.561 8.874 1.00 0.00 S ATOM 0 H CYS A 42 1.442 24.107 5.832 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.463 24.443 8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.121 26.463 6.473 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.418 26.908 7.184 1.00 0.00 H new ATOM 615 N ASN A 43 -2.415 24.725 6.545 1.00 0.00 N ATOM 616 CA ASN A 43 -3.566 24.673 5.651 1.00 0.00 C ATOM 617 C ASN A 43 -4.676 25.599 6.139 1.00 0.00 C ATOM 618 O ASN A 43 -4.968 25.661 7.332 1.00 0.00 O ATOM 619 CB ASN A 43 -4.091 23.240 5.547 1.00 0.00 C ATOM 620 CG ASN A 43 -4.770 22.968 4.218 1.00 0.00 C ATOM 621 OD1 ASN A 43 -5.933 22.568 4.172 1.00 0.00 O ATOM 622 ND2 ASN A 43 -4.043 23.185 3.128 1.00 0.00 N ATOM 0 H ASN A 43 -2.652 24.751 7.537 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.245 25.008 4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.264 22.542 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.796 23.055 6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.445 23.020 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.082 23.517 3.213 1.00 0.00 H new ATOM 629 N GLY A 44 -5.292 26.318 5.205 1.00 0.00 N ATOM 630 CA GLY A 44 -6.363 27.231 5.559 1.00 0.00 C ATOM 631 C GLY A 44 -7.734 26.605 5.402 1.00 0.00 C ATOM 632 O GLY A 44 -8.182 26.347 4.285 1.00 0.00 O ATOM 0 H GLY A 44 -5.068 26.284 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.232 27.557 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.299 28.121 4.933 1.00 0.00 H new ATOM 636 N ARG A 45 -8.402 26.357 6.525 1.00 0.00 N ATOM 637 CA ARG A 45 -9.729 25.754 6.507 1.00 0.00 C ATOM 638 C ARG A 45 -10.616 26.360 7.591 1.00 0.00 C ATOM 639 O ARG A 45 -10.141 26.989 8.536 1.00 0.00 O ATOM 640 CB ARG A 45 -9.627 24.241 6.704 1.00 0.00 C ATOM 641 CG ARG A 45 -9.520 23.463 5.402 1.00 0.00 C ATOM 642 CD ARG A 45 -9.529 21.962 5.647 1.00 0.00 C ATOM 643 NE ARG A 45 -8.192 21.383 5.545 1.00 0.00 N ATOM 644 CZ ARG A 45 -7.945 20.083 5.654 1.00 0.00 C ATOM 645 NH1 ARG A 45 -8.938 19.231 5.866 1.00 0.00 N ATOM 646 NH2 ARG A 45 -6.701 19.632 5.549 1.00 0.00 N ATOM 0 H ARG A 45 -8.046 26.565 7.458 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.180 25.958 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.756 24.021 7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.502 23.895 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.350 23.731 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.603 23.743 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.938 21.759 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.189 21.481 4.925 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.405 22.011 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.895 19.573 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.745 18.233 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.934 20.284 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.512 18.633 5.633 1.00 0.00 H new ATOM 660 N PRO A 46 -11.936 26.168 7.452 1.00 0.00 N ATOM 661 CA PRO A 46 -12.917 26.687 8.409 1.00 0.00 C ATOM 662 C PRO A 46 -12.855 25.967 9.752 1.00 0.00 C ATOM 663 O PRO A 46 -12.592 24.767 9.828 1.00 0.00 O ATOM 664 CB PRO A 46 -14.259 26.421 7.722 1.00 0.00 C ATOM 665 CG PRO A 46 -13.996 25.274 6.809 1.00 0.00 C ATOM 666 CD PRO A 46 -12.573 25.428 6.349 1.00 0.00 C ATOM 0 HA PRO A 46 -12.742 27.737 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.035 26.179 8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.601 27.296 7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.139 24.324 7.325 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.683 25.284 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.097 24.461 6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.512 25.976 5.409 1.00 0.00 H new ATOM 674 N PRO A 47 -13.102 26.715 10.837 1.00 0.00 N ATOM 675 CA PRO A 47 -13.415 28.145 10.759 1.00 0.00 C ATOM 676 C PRO A 47 -12.210 28.980 10.337 1.00 0.00 C ATOM 677 O PRO A 47 -12.302 29.805 9.428 1.00 0.00 O ATOM 678 CB PRO A 47 -13.834 28.495 12.189 1.00 0.00 C ATOM 679 CG PRO A 47 -13.151 27.483 13.043 1.00 0.00 C ATOM 680 CD PRO A 47 -13.094 26.222 12.225 1.00 0.00 C ATOM 0 HA PRO A 47 -14.181 28.354 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.529 29.507 12.454 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.917 28.447 12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.150 27.816 13.318 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -13.699 27.322 13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.196 25.643 12.441 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.947 25.574 12.426 1.00 0.00 H new ATOM 688 N PHE A 48 -11.081 28.760 11.003 1.00 0.00 N ATOM 689 CA PHE A 48 -9.858 29.493 10.698 1.00 0.00 C ATOM 690 C PHE A 48 -8.735 28.537 10.307 1.00 0.00 C ATOM 691 O PHE A 48 -8.785 27.345 10.610 1.00 0.00 O ATOM 692 CB PHE A 48 -9.431 30.337 11.900 1.00 0.00 C ATOM 693 CG PHE A 48 -9.544 31.816 11.664 1.00 0.00 C ATOM 694 CD1 PHE A 48 -9.038 32.388 10.507 1.00 0.00 C ATOM 695 CD2 PHE A 48 -10.156 32.635 12.599 1.00 0.00 C ATOM 696 CE1 PHE A 48 -9.140 33.748 10.289 1.00 0.00 C ATOM 697 CE2 PHE A 48 -10.261 33.997 12.386 1.00 0.00 C ATOM 698 CZ PHE A 48 -9.753 34.554 11.229 1.00 0.00 C ATOM 0 H PHE A 48 -10.988 28.080 11.757 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.060 30.153 9.854 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.044 30.066 12.760 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.399 30.096 12.155 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.559 31.763 9.768 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -10.556 32.204 13.505 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.741 34.181 9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.740 34.624 13.123 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.835 35.617 11.059 1.00 0.00 H new ATOM 708 N LYS A 49 -7.722 29.069 9.632 1.00 0.00 N ATOM 709 CA LYS A 49 -6.584 28.266 9.200 1.00 0.00 C ATOM 710 C LYS A 49 -5.931 27.564 10.386 1.00 0.00 C ATOM 711 O LYS A 49 -6.069 28.000 11.529 1.00 0.00 O ATOM 712 CB LYS A 49 -5.555 29.145 8.485 1.00 0.00 C ATOM 713 CG LYS A 49 -4.651 29.916 9.432 1.00 0.00 C ATOM 714 CD LYS A 49 -5.436 30.924 10.254 1.00 0.00 C ATOM 715 CE LYS A 49 -4.579 32.124 10.629 1.00 0.00 C ATOM 716 NZ LYS A 49 -5.252 33.411 10.299 1.00 0.00 N ATOM 0 H LYS A 49 -7.666 30.054 9.372 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.949 27.508 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.940 28.518 7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.078 29.851 7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.142 29.220 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.880 30.433 8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.305 31.259 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.810 30.445 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.358 32.093 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.626 32.068 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.636 34.204 10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.441 33.452 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.150 33.477 10.820 1.00 0.00 H new ATOM 730 N GLN A 50 -5.220 26.477 10.106 1.00 0.00 N ATOM 731 CA GLN A 50 -4.546 25.715 11.151 1.00 0.00 C ATOM 732 C GLN A 50 -3.236 25.127 10.638 1.00 0.00 C ATOM 733 O GLN A 50 -3.168 24.620 9.518 1.00 0.00 O ATOM 734 CB GLN A 50 -5.455 24.597 11.664 1.00 0.00 C ATOM 735 CG GLN A 50 -4.698 23.438 12.292 1.00 0.00 C ATOM 736 CD GLN A 50 -5.402 22.872 13.510 1.00 0.00 C ATOM 737 OE1 GLN A 50 -6.618 23.001 13.653 1.00 0.00 O ATOM 738 NE2 GLN A 50 -4.640 22.241 14.395 1.00 0.00 N ATOM 0 H GLN A 50 -5.096 26.104 9.165 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.320 26.395 11.972 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.146 25.010 12.399 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.057 24.221 10.837 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.570 22.649 11.551 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.700 23.772 12.576 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.636 22.158 14.236 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.059 21.840 15.234 1.00 0.00 H new ATOM 747 N CYS A 51 -2.197 25.199 11.463 1.00 0.00 N ATOM 748 CA CYS A 51 -0.888 24.675 11.092 1.00 0.00 C ATOM 749 C CYS A 51 -0.644 23.315 11.739 1.00 0.00 C ATOM 750 O CYS A 51 -0.578 23.200 12.964 1.00 0.00 O ATOM 751 CB CYS A 51 0.212 25.654 11.507 1.00 0.00 C ATOM 752 SG CYS A 51 0.604 26.909 10.246 1.00 0.00 S ATOM 0 H CYS A 51 -2.236 25.615 12.393 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.866 24.552 10.009 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.092 26.158 12.424 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.117 25.091 11.738 1.00 0.00 H new ATOM 757 N PHE A 52 -0.510 22.286 10.909 1.00 0.00 N ATOM 758 CA PHE A 52 -0.274 20.933 11.399 1.00 0.00 C ATOM 759 C PHE A 52 1.212 20.589 11.351 1.00 0.00 C ATOM 760 O PHE A 52 1.937 21.040 10.464 1.00 0.00 O ATOM 761 CB PHE A 52 -1.070 19.922 10.572 1.00 0.00 C ATOM 762 CG PHE A 52 -2.082 19.155 11.374 1.00 0.00 C ATOM 763 CD1 PHE A 52 -1.733 18.579 12.586 1.00 0.00 C ATOM 764 CD2 PHE A 52 -3.383 19.010 10.918 1.00 0.00 C ATOM 765 CE1 PHE A 52 -2.662 17.873 13.325 1.00 0.00 C ATOM 766 CE2 PHE A 52 -4.316 18.305 11.654 1.00 0.00 C ATOM 767 CZ PHE A 52 -3.955 17.736 12.860 1.00 0.00 C ATOM 0 H PHE A 52 -0.561 22.363 9.893 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.607 20.886 12.436 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.581 20.447 9.765 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.378 19.219 10.108 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.724 18.684 12.956 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.671 19.453 9.976 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.377 17.428 14.267 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.326 18.199 11.287 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.682 17.185 13.438 1.00 0.00 H new ATOM 777 N CYS A 53 1.658 19.787 12.312 1.00 0.00 N ATOM 778 CA CYS A 53 3.057 19.382 12.382 1.00 0.00 C ATOM 779 C CYS A 53 3.213 17.904 12.034 1.00 0.00 C ATOM 780 O CYS A 53 2.288 17.111 12.211 1.00 0.00 O ATOM 781 CB CYS A 53 3.618 19.650 13.780 1.00 0.00 C ATOM 782 SG CYS A 53 3.546 21.398 14.287 1.00 0.00 S ATOM 0 H CYS A 53 1.071 19.405 13.053 1.00 0.00 H new ATOM 0 HA CYS A 53 3.617 19.970 11.655 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.065 19.050 14.503 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.655 19.315 13.814 1.00 0.00 H new ATOM 787 N THR A 54 4.392 17.540 11.538 1.00 0.00 N ATOM 788 CA THR A 54 4.670 16.159 11.164 1.00 0.00 C ATOM 789 C THR A 54 5.915 15.638 11.873 1.00 0.00 C ATOM 790 O THR A 54 6.893 16.365 12.048 1.00 0.00 O ATOM 791 CB THR A 54 4.862 16.017 9.642 1.00 0.00 C ATOM 792 OG1 THR A 54 6.246 16.173 9.306 1.00 0.00 O ATOM 793 CG2 THR A 54 4.034 17.049 8.893 1.00 0.00 C ATOM 0 H THR A 54 5.169 18.183 11.386 1.00 0.00 H new ATOM 0 HA THR A 54 3.807 15.568 11.470 1.00 0.00 H new ATOM 0 HB THR A 54 4.527 15.023 9.347 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.360 16.080 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.186 16.929 7.820 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.979 16.909 9.128 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.342 18.050 9.193 1.00 0.00 H new ATOM 801 N LYS A 55 5.873 14.374 12.279 1.00 0.00 N ATOM 802 CA LYS A 55 6.999 13.753 12.968 1.00 0.00 C ATOM 803 C LYS A 55 7.131 12.284 12.580 1.00 0.00 C ATOM 804 O LYS A 55 6.178 11.648 12.131 1.00 0.00 O ATOM 805 CB LYS A 55 6.827 13.878 14.484 1.00 0.00 C ATOM 806 CG LYS A 55 5.980 12.774 15.093 1.00 0.00 C ATOM 807 CD LYS A 55 5.640 13.069 16.544 1.00 0.00 C ATOM 808 CE LYS A 55 4.424 12.280 17.003 1.00 0.00 C ATOM 809 NZ LYS A 55 4.733 11.417 18.177 1.00 0.00 N ATOM 0 H LYS A 55 5.071 13.759 12.143 1.00 0.00 H new ATOM 0 HA LYS A 55 7.909 14.273 12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.810 13.872 14.955 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.371 14.842 14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.061 12.661 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.515 11.826 15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.494 12.824 17.176 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.450 14.135 16.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.620 12.969 17.261 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.062 11.661 16.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.878 10.896 18.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.483 10.742 17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.054 12.010 18.969 1.00 0.00 H new ATOM 823 N PRO A 56 8.340 11.730 12.758 1.00 0.00 N ATOM 824 CA PRO A 56 8.624 10.329 12.435 1.00 0.00 C ATOM 825 C PRO A 56 7.932 9.362 13.389 1.00 0.00 C ATOM 826 O PRO A 56 8.297 9.262 14.561 1.00 0.00 O ATOM 827 CB PRO A 56 10.144 10.232 12.584 1.00 0.00 C ATOM 828 CG PRO A 56 10.501 11.317 13.541 1.00 0.00 C ATOM 829 CD PRO A 56 9.522 12.430 13.290 1.00 0.00 C ATOM 0 HA PRO A 56 8.261 10.058 11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.443 9.255 12.964 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.645 10.369 11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.437 10.966 14.571 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.525 11.655 13.383 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.289 12.974 14.205 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.913 13.157 12.578 1.00 0.00 H new ATOM 837 N CYS A 57 6.932 8.651 12.881 1.00 0.00 N ATOM 838 CA CYS A 57 6.188 7.691 13.687 1.00 0.00 C ATOM 839 C CYS A 57 7.136 6.740 14.413 1.00 0.00 C ATOM 840 O CYS A 57 8.312 6.634 14.066 1.00 0.00 O ATOM 841 CB CYS A 57 5.223 6.893 12.808 1.00 0.00 C ATOM 842 SG CYS A 57 4.189 7.922 11.716 1.00 0.00 S ATOM 0 H CYS A 57 6.618 8.722 11.913 1.00 0.00 H new ATOM 0 HA CYS A 57 5.616 8.246 14.431 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.797 6.196 12.197 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.574 6.296 13.449 1.00 0.00 H new ATOM 847 N LYS A 58 6.615 6.050 15.422 1.00 0.00 N ATOM 848 CA LYS A 58 7.412 5.106 16.197 1.00 0.00 C ATOM 849 C LYS A 58 6.517 4.148 16.975 1.00 0.00 C ATOM 850 O LYS A 58 5.673 4.574 17.763 1.00 0.00 O ATOM 851 CB LYS A 58 8.334 5.857 17.161 1.00 0.00 C ATOM 852 CG LYS A 58 9.744 6.047 16.630 1.00 0.00 C ATOM 853 CD LYS A 58 10.783 5.523 17.607 1.00 0.00 C ATOM 854 CE LYS A 58 12.143 6.161 17.371 1.00 0.00 C ATOM 855 NZ LYS A 58 13.233 5.413 18.056 1.00 0.00 N ATOM 0 H LYS A 58 5.643 6.127 15.722 1.00 0.00 H new ATOM 0 HA LYS A 58 8.018 4.525 15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.902 6.834 17.377 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.380 5.313 18.104 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.847 5.530 15.676 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.923 7.105 16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.458 5.724 18.628 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.865 4.441 17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.346 6.199 16.301 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.128 7.190 17.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.144 5.880 17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.054 5.398 19.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.264 4.438 17.696 1.00 0.00 H new ATOM 869 N ARG A 59 6.707 2.852 16.749 1.00 0.00 N ATOM 870 CA ARG A 59 5.917 1.833 17.429 1.00 0.00 C ATOM 871 C ARG A 59 4.434 1.989 17.104 1.00 0.00 C ATOM 872 O ARG A 59 4.036 2.927 16.415 1.00 0.00 O ATOM 873 CB ARG A 59 6.130 1.918 18.942 1.00 0.00 C ATOM 874 CG ARG A 59 6.065 0.571 19.642 1.00 0.00 C ATOM 875 CD ARG A 59 6.904 0.562 20.911 1.00 0.00 C ATOM 876 NE ARG A 59 6.526 1.637 21.824 1.00 0.00 N ATOM 877 CZ ARG A 59 7.012 1.761 23.054 1.00 0.00 C ATOM 878 NH1 ARG A 59 7.891 0.882 23.515 1.00 0.00 N ATOM 879 NH2 ARG A 59 6.620 2.767 23.826 1.00 0.00 N ATOM 0 H ARG A 59 7.402 2.483 16.100 1.00 0.00 H new ATOM 0 HA ARG A 59 6.248 0.856 17.076 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.100 2.374 19.139 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.375 2.577 19.370 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.029 0.337 19.888 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.417 -0.209 18.966 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.790 -0.398 21.414 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.958 0.662 20.650 1.00 0.00 H new ATOM 0 HE ARG A 59 5.852 2.331 21.500 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.196 0.108 22.925 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.262 0.980 24.460 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.945 3.446 23.475 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.994 2.861 24.770 1.00 0.00 H new ATOM 893 N GLU A 60 3.624 1.062 17.605 1.00 0.00 N ATOM 894 CA GLU A 60 2.186 1.096 17.366 1.00 0.00 C ATOM 895 C GLU A 60 1.880 1.009 15.873 1.00 0.00 C ATOM 896 O GLU A 60 0.835 1.472 15.415 1.00 0.00 O ATOM 897 CB GLU A 60 1.579 2.374 17.948 1.00 0.00 C ATOM 898 CG GLU A 60 0.139 2.212 18.404 1.00 0.00 C ATOM 899 CD GLU A 60 0.019 1.400 19.680 1.00 0.00 C ATOM 900 OE1 GLU A 60 0.091 0.156 19.599 1.00 0.00 O ATOM 901 OE2 GLU A 60 -0.146 2.009 20.758 1.00 0.00 O ATOM 0 H GLU A 60 3.939 0.279 18.178 1.00 0.00 H new ATOM 0 HA GLU A 60 1.741 0.233 17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.184 2.701 18.794 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.627 3.163 17.198 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.301 3.197 18.562 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.436 1.728 17.614 1.00 0.00 H new ATOM 908 N ARG A 61 2.799 0.414 15.120 1.00 0.00 N ATOM 909 CA ARG A 61 2.630 0.268 13.680 1.00 0.00 C ATOM 910 C ARG A 61 2.069 1.547 13.066 1.00 0.00 C ATOM 911 O ARG A 61 1.247 1.500 12.152 1.00 0.00 O ATOM 912 CB ARG A 61 1.701 -0.908 13.371 1.00 0.00 C ATOM 913 CG ARG A 61 0.271 -0.695 13.840 1.00 0.00 C ATOM 914 CD ARG A 61 -0.691 -1.646 13.145 1.00 0.00 C ATOM 915 NE ARG A 61 -2.053 -1.122 13.117 1.00 0.00 N ATOM 916 CZ ARG A 61 -3.070 -1.748 12.534 1.00 0.00 C ATOM 917 NH1 ARG A 61 -2.878 -2.914 11.934 1.00 0.00 N ATOM 918 NH2 ARG A 61 -4.281 -1.207 12.550 1.00 0.00 N ATOM 0 H ARG A 61 3.669 0.025 15.484 1.00 0.00 H new ATOM 0 HA ARG A 61 3.609 0.074 13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.699 -1.085 12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.098 -1.807 13.842 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.215 -0.843 14.918 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.028 0.335 13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.350 -1.825 12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.683 -2.608 13.657 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.234 -0.226 13.570 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.948 -3.333 11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.660 -3.393 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.433 -0.309 13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.061 -1.689 12.102 1.00 0.00 H new ATOM 932 N ALA A 62 2.521 2.689 13.575 1.00 0.00 N ATOM 933 CA ALA A 62 2.066 3.980 13.076 1.00 0.00 C ATOM 934 C ALA A 62 2.744 4.328 11.755 1.00 0.00 C ATOM 935 O ALA A 62 3.970 4.303 11.650 1.00 0.00 O ATOM 936 CB ALA A 62 2.328 5.067 14.108 1.00 0.00 C ATOM 0 H ALA A 62 3.202 2.746 14.332 1.00 0.00 H new ATOM 0 HA ALA A 62 0.993 3.915 12.897 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.983 6.026 13.722 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.792 4.832 15.028 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.397 5.122 14.315 1.00 0.00 H new ATOM 942 N ALA A 63 1.938 4.653 10.749 1.00 0.00 N ATOM 943 CA ALA A 63 2.461 5.007 9.435 1.00 0.00 C ATOM 944 C ALA A 63 1.428 5.780 8.624 1.00 0.00 C ATOM 945 O ALA A 63 1.459 5.773 7.394 1.00 0.00 O ATOM 946 CB ALA A 63 2.896 3.756 8.685 1.00 0.00 C ATOM 0 H ALA A 63 0.921 4.678 10.819 1.00 0.00 H new ATOM 0 HA ALA A 63 3.329 5.651 9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.284 4.036 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.674 3.244 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.041 3.091 8.560 1.00 0.00 H new ATOM 952 N ALA A 64 0.513 6.446 9.320 1.00 0.00 N ATOM 953 CA ALA A 64 -0.529 7.226 8.664 1.00 0.00 C ATOM 954 C ALA A 64 -1.339 6.361 7.704 1.00 0.00 C ATOM 955 O ALA A 64 -1.095 5.161 7.575 1.00 0.00 O ATOM 956 CB ALA A 64 0.082 8.408 7.926 1.00 0.00 C ATOM 0 H ALA A 64 0.472 6.461 10.339 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.205 7.602 9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.708 8.982 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.611 9.046 8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.781 8.045 7.173 1.00 0.00 H new ATOM 962 N THR A 65 -2.305 6.978 7.030 1.00 0.00 N ATOM 963 CA THR A 65 -3.152 6.265 6.083 1.00 0.00 C ATOM 964 C THR A 65 -2.802 6.634 4.646 1.00 0.00 C ATOM 965 O THR A 65 -2.582 7.804 4.330 1.00 0.00 O ATOM 966 CB THR A 65 -4.644 6.562 6.328 1.00 0.00 C ATOM 967 OG1 THR A 65 -4.781 7.651 7.248 1.00 0.00 O ATOM 968 CG2 THR A 65 -5.357 5.335 6.876 1.00 0.00 C ATOM 0 H THR A 65 -2.520 7.971 7.123 1.00 0.00 H new ATOM 0 HA THR A 65 -2.971 5.201 6.237 1.00 0.00 H new ATOM 0 HB THR A 65 -5.100 6.832 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.732 7.835 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.409 5.569 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.275 4.517 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.899 5.039 7.820 1.00 0.00 H new ATOM 976 N LEU A 66 -2.752 5.629 3.777 1.00 0.00 N ATOM 977 CA LEU A 66 -2.429 5.849 2.372 1.00 0.00 C ATOM 978 C LEU A 66 -3.335 6.915 1.765 1.00 0.00 C ATOM 979 O LEU A 66 -4.394 7.226 2.309 1.00 0.00 O ATOM 980 CB LEU A 66 -2.563 4.542 1.587 1.00 0.00 C ATOM 981 CG LEU A 66 -1.258 3.810 1.275 1.00 0.00 C ATOM 982 CD1 LEU A 66 -0.684 3.181 2.535 1.00 0.00 C ATOM 983 CD2 LEU A 66 -1.483 2.752 0.205 1.00 0.00 C ATOM 0 H LEU A 66 -2.931 4.655 4.021 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.398 6.198 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.209 3.868 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.070 4.757 0.646 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.539 4.536 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.245 2.664 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.485 3.959 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.400 2.468 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.543 2.241 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.219 2.029 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.848 3.227 -0.705 1.00 0.00 H new ATOM 995 N ARG A 67 -2.911 7.470 0.634 1.00 0.00 N ATOM 996 CA ARG A 67 -3.684 8.501 -0.048 1.00 0.00 C ATOM 997 C ARG A 67 -3.198 8.686 -1.482 1.00 0.00 C ATOM 998 O ARG A 67 -3.943 8.454 -2.435 1.00 0.00 O ATOM 999 CB ARG A 67 -3.587 9.827 0.710 1.00 0.00 C ATOM 1000 CG ARG A 67 -4.938 10.435 1.048 1.00 0.00 C ATOM 1001 CD ARG A 67 -4.858 11.951 1.142 1.00 0.00 C ATOM 1002 NE ARG A 67 -4.929 12.418 2.524 1.00 0.00 N ATOM 1003 CZ ARG A 67 -6.064 12.532 3.205 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -7.217 12.213 2.634 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -6.046 12.964 4.459 1.00 0.00 N ATOM 0 H ARG A 67 -2.036 7.223 0.171 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.726 8.181 -0.074 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.028 9.669 1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.018 10.538 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.665 10.154 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.295 10.029 1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.927 12.294 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.672 12.393 0.568 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.059 12.671 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.234 11.879 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.087 12.301 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.160 13.209 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.918 13.051 4.981 1.00 0.00 H new ATOM 1019 N TRP A 68 -1.947 9.106 -1.627 1.00 0.00 N ATOM 1020 CA TRP A 68 -1.362 9.323 -2.946 1.00 0.00 C ATOM 1021 C TRP A 68 0.140 9.060 -2.925 1.00 0.00 C ATOM 1022 O TRP A 68 0.956 9.979 -2.988 1.00 0.00 O ATOM 1023 CB TRP A 68 -1.635 10.751 -3.419 1.00 0.00 C ATOM 1024 CG TRP A 68 -2.891 10.879 -4.228 1.00 0.00 C ATOM 1025 CD1 TRP A 68 -3.062 10.527 -5.536 1.00 0.00 C ATOM 1026 CD2 TRP A 68 -4.149 11.396 -3.781 1.00 0.00 C ATOM 1027 NE1 TRP A 68 -4.351 10.795 -5.930 1.00 0.00 N ATOM 1028 CE2 TRP A 68 -5.038 11.327 -4.872 1.00 0.00 C ATOM 1029 CE3 TRP A 68 -4.612 11.908 -2.566 1.00 0.00 C ATOM 1030 CZ2 TRP A 68 -6.361 11.753 -4.781 1.00 0.00 C ATOM 1031 CZ3 TRP A 68 -5.924 12.330 -2.478 1.00 0.00 C ATOM 1032 CH2 TRP A 68 -6.787 12.250 -3.580 1.00 0.00 C ATOM 0 H TRP A 68 -1.318 9.303 -0.849 1.00 0.00 H new ATOM 0 HA TRP A 68 -1.825 8.623 -3.641 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.702 11.407 -2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.790 11.096 -4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -2.297 10.101 -6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -4.734 10.625 -6.860 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.955 11.973 -1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -7.027 11.693 -5.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.292 12.729 -1.544 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -7.808 12.587 -3.479 1.00 0.00 H new ATOM 1043 N PRO A 69 0.516 7.775 -2.834 1.00 0.00 N ATOM 1044 CA PRO A 69 1.922 7.362 -2.803 1.00 0.00 C ATOM 1045 C PRO A 69 2.617 7.573 -4.144 1.00 0.00 C ATOM 1046 O PRO A 69 2.042 8.142 -5.070 1.00 0.00 O ATOM 1047 CB PRO A 69 1.847 5.871 -2.468 1.00 0.00 C ATOM 1048 CG PRO A 69 0.503 5.442 -2.947 1.00 0.00 C ATOM 1049 CD PRO A 69 -0.403 6.627 -2.754 1.00 0.00 C ATOM 0 HA PRO A 69 2.502 7.944 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.641 5.313 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.959 5.700 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.539 5.145 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.144 4.581 -2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.173 6.674 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.916 6.589 -1.793 1.00 0.00 H new ATOM 1057 N GLY A 70 3.860 7.108 -4.241 1.00 0.00 N ATOM 1058 CA GLY A 70 4.613 7.255 -5.472 1.00 0.00 C ATOM 1059 C GLY A 70 4.481 6.048 -6.380 1.00 0.00 C ATOM 1060 O GLY A 70 3.384 5.523 -6.572 1.00 0.00 O ATOM 0 H GLY A 70 4.358 6.632 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.268 8.143 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.665 7.414 -5.234 1.00 0.00 H new ATOM 1064 N LEU A 71 5.602 5.607 -6.940 1.00 0.00 N ATOM 1065 CA LEU A 71 5.608 4.454 -7.834 1.00 0.00 C ATOM 1066 C LEU A 71 6.917 3.681 -7.718 1.00 0.00 C ATOM 1067 O LEU A 71 6.925 2.504 -7.357 1.00 0.00 O ATOM 1068 CB LEU A 71 5.396 4.905 -9.281 1.00 0.00 C ATOM 1069 CG LEU A 71 6.633 5.432 -10.008 1.00 0.00 C ATOM 1070 CD1 LEU A 71 7.435 6.351 -9.099 1.00 0.00 C ATOM 1071 CD2 LEU A 71 7.496 4.279 -10.498 1.00 0.00 C ATOM 0 H LEU A 71 6.518 6.030 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 71 4.791 3.795 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.997 4.064 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.635 5.685 -9.289 1.00 0.00 H new ATOM 0 HG LEU A 71 6.304 6.007 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.312 6.717 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.816 7.196 -8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.753 5.800 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.372 4.673 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.816 3.677 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.920 3.659 -11.185 1.00 0.00 H new TER 1083 LEU A 71