USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.27) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 15 CYS SG : rot 180:sc= 0.0277 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 170:sc= 0 (180deg=-0.0786) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.657 K(o=0.66,f=-1.2!) USER MOD Single : A 31 TYR OH : rot -8:sc= 1.23 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.07 (180deg=0.896) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= 0.997 (180deg=0.478) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -15:sc= -0.0148 USER MOD Single : A 63 SER OG : rot 180:sc= -0.155 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 10.825 3.886 3.190 1.00 0.00 N ATOM 19 CA ARG A 2 9.422 4.210 3.192 1.00 0.00 C ATOM 20 C ARG A 2 8.997 5.082 2.029 1.00 0.00 C ATOM 21 O ARG A 2 9.700 6.009 1.639 1.00 0.00 O ATOM 22 CB ARG A 2 8.997 4.672 4.587 1.00 0.00 C ATOM 23 CG ARG A 2 7.864 5.679 4.577 1.00 0.00 C ATOM 24 CD ARG A 2 7.387 6.035 5.982 1.00 0.00 C ATOM 25 NE ARG A 2 8.346 6.938 6.630 1.00 0.00 N ATOM 26 CZ ARG A 2 8.249 7.392 7.879 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.200 7.080 8.637 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.201 8.164 8.368 1.00 0.00 N ATOM 0 HA ARG A 2 8.846 3.306 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.694 3.803 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.857 5.111 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.192 6.585 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.029 5.276 4.004 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.407 6.509 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.272 5.128 6.576 1.00 0.00 H new ATOM 0 HE ARG A 2 9.150 7.242 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.459 6.487 8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.137 7.434 9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.005 8.410 7.791 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.133 8.515 9.323 1.00 0.00 H new ATOM 42 N TYR A 3 7.808 4.769 1.523 1.00 0.00 N ATOM 43 CA TYR A 3 7.168 5.395 0.390 1.00 0.00 C ATOM 44 C TYR A 3 5.681 5.480 0.716 1.00 0.00 C ATOM 45 O TYR A 3 5.077 4.481 1.118 1.00 0.00 O ATOM 46 CB TYR A 3 7.423 4.558 -0.872 1.00 0.00 C ATOM 47 CG TYR A 3 8.858 4.077 -1.024 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.839 4.938 -1.545 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.224 2.791 -0.579 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.164 4.491 -1.687 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.541 2.326 -0.751 1.00 0.00 C ATOM 52 CZ TYR A 3 11.497 3.165 -1.353 1.00 0.00 C ATOM 53 OH TYR A 3 12.749 2.693 -1.570 1.00 0.00 O ATOM 0 H TYR A 3 7.238 4.025 1.924 1.00 0.00 H new ATOM 0 HA TYR A 3 7.564 6.393 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.761 3.692 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.156 5.151 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.575 5.944 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.489 2.158 -0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.926 5.164 -2.052 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.816 1.334 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 3 12.801 1.759 -1.279 1.00 0.00 H new ATOM 63 N VAL A 4 5.095 6.667 0.589 1.00 0.00 N ATOM 64 CA VAL A 4 3.665 6.885 0.660 1.00 0.00 C ATOM 65 C VAL A 4 3.102 6.605 -0.734 1.00 0.00 C ATOM 66 O VAL A 4 3.343 7.339 -1.696 1.00 0.00 O ATOM 67 CB VAL A 4 3.364 8.279 1.253 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.695 9.490 0.373 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.892 8.374 1.647 1.00 0.00 C ATOM 0 H VAL A 4 5.623 7.525 0.429 1.00 0.00 H new ATOM 0 HA VAL A 4 3.159 6.207 1.347 1.00 0.00 H new ATOM 0 HB VAL A 4 4.039 8.341 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.437 10.407 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.760 9.492 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.123 9.434 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.690 9.361 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.269 8.218 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.665 7.612 2.392 1.00 0.00 H new ATOM 79 N LEU A 5 2.394 5.494 -0.879 1.00 0.00 N ATOM 80 CA LEU A 5 1.622 5.188 -2.070 1.00 0.00 C ATOM 81 C LEU A 5 0.258 5.856 -1.936 1.00 0.00 C ATOM 82 O LEU A 5 -0.314 5.897 -0.843 1.00 0.00 O ATOM 83 CB LEU A 5 1.352 3.689 -2.214 1.00 0.00 C ATOM 84 CG LEU A 5 2.448 2.671 -1.883 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.847 1.283 -2.133 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.710 2.879 -2.717 1.00 0.00 C ATOM 0 H LEU A 5 2.340 4.771 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 5 2.192 5.538 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.493 3.454 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.049 3.513 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 5 2.763 2.788 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.592 0.519 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.978 1.141 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.543 1.201 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.455 2.132 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.468 2.779 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.110 3.875 -2.529 1.00 0.00 H new ATOM 98 N TYR A 6 -0.330 6.245 -3.057 1.00 0.00 N ATOM 99 CA TYR A 6 -1.673 6.778 -3.132 1.00 0.00 C ATOM 100 C TYR A 6 -2.550 5.730 -3.802 1.00 0.00 C ATOM 101 O TYR A 6 -2.332 5.400 -4.966 1.00 0.00 O ATOM 102 CB TYR A 6 -1.634 8.083 -3.923 1.00 0.00 C ATOM 103 CG TYR A 6 -2.941 8.841 -3.961 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.814 8.896 -2.850 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.289 9.493 -5.149 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.073 9.513 -2.961 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.518 10.145 -5.246 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.441 10.123 -4.181 1.00 0.00 C ATOM 109 OH TYR A 6 -6.660 10.703 -4.351 1.00 0.00 O ATOM 0 H TYR A 6 0.132 6.195 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.083 6.998 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.868 8.729 -3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.328 7.862 -4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.512 8.461 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.609 9.491 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.752 9.520 -2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.767 10.676 -6.153 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.724 11.069 -5.258 1.00 0.00 H new ATOM 119 N VAL A 7 -3.496 5.158 -3.063 1.00 0.00 N ATOM 120 CA VAL A 7 -4.354 4.069 -3.516 1.00 0.00 C ATOM 121 C VAL A 7 -5.818 4.531 -3.345 1.00 0.00 C ATOM 122 O VAL A 7 -6.418 4.301 -2.293 1.00 0.00 O ATOM 123 CB VAL A 7 -3.977 2.772 -2.769 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.654 1.539 -3.389 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.457 2.524 -2.762 1.00 0.00 C ATOM 0 H VAL A 7 -3.692 5.448 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.220 3.830 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.327 2.914 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.363 0.647 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.737 1.657 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.343 1.437 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.242 1.600 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.097 2.440 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.955 3.356 -2.269 1.00 0.00 H new ATOM 135 N PRO A 8 -6.395 5.246 -4.330 1.00 0.00 N ATOM 136 CA PRO A 8 -7.690 5.916 -4.192 1.00 0.00 C ATOM 137 C PRO A 8 -8.871 4.957 -3.980 1.00 0.00 C ATOM 138 O PRO A 8 -9.893 5.367 -3.424 1.00 0.00 O ATOM 139 CB PRO A 8 -7.859 6.757 -5.460 1.00 0.00 C ATOM 140 CG PRO A 8 -6.981 6.042 -6.480 1.00 0.00 C ATOM 141 CD PRO A 8 -5.827 5.509 -5.643 1.00 0.00 C ATOM 0 HA PRO A 8 -7.696 6.528 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.900 6.794 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.537 7.787 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.520 5.237 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.633 6.722 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.410 4.602 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.016 6.235 -5.583 1.00 0.00 H new ATOM 149 N ASP A 9 -8.744 3.687 -4.371 1.00 0.00 N ATOM 150 CA ASP A 9 -9.776 2.663 -4.195 1.00 0.00 C ATOM 151 C ASP A 9 -9.895 2.231 -2.740 1.00 0.00 C ATOM 152 O ASP A 9 -10.832 1.518 -2.378 1.00 0.00 O ATOM 153 CB ASP A 9 -9.437 1.428 -5.035 1.00 0.00 C ATOM 154 CG ASP A 9 -9.445 1.697 -6.544 1.00 0.00 C ATOM 155 OD1 ASP A 9 -8.394 2.172 -7.048 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.481 1.393 -7.181 1.00 0.00 O ATOM 0 H ASP A 9 -7.903 3.335 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.722 3.099 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.453 1.059 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.153 0.637 -4.811 1.00 0.00 H new ATOM 161 N ILE A 10 -9.016 2.695 -1.846 1.00 0.00 N ATOM 162 CA ILE A 10 -9.190 2.517 -0.408 1.00 0.00 C ATOM 163 C ILE A 10 -10.269 3.495 0.102 1.00 0.00 C ATOM 164 O ILE A 10 -10.180 4.044 1.197 1.00 0.00 O ATOM 165 CB ILE A 10 -7.844 2.587 0.348 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.794 1.694 -0.340 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.978 2.051 1.792 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.443 1.703 0.371 1.00 0.00 C ATOM 0 H ILE A 10 -8.169 3.202 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.555 1.511 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.546 3.635 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.168 0.671 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.659 2.028 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.013 2.115 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.710 2.648 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.305 1.012 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.747 1.055 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.050 2.719 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.567 1.341 1.392 1.00 0.00 H new ATOM 180 N SER A 11 -11.314 3.734 -0.688 1.00 0.00 N ATOM 181 CA SER A 11 -12.458 4.546 -0.326 1.00 0.00 C ATOM 182 C SER A 11 -13.161 3.955 0.902 1.00 0.00 C ATOM 183 O SER A 11 -13.759 4.715 1.668 1.00 0.00 O ATOM 184 CB SER A 11 -13.380 4.608 -1.546 1.00 0.00 C ATOM 185 OG SER A 11 -14.319 5.665 -1.502 1.00 0.00 O ATOM 0 H SER A 11 -11.383 3.350 -1.631 1.00 0.00 H new ATOM 0 HA SER A 11 -12.155 5.556 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.771 4.713 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.916 3.663 -1.633 1.00 0.00 H new ATOM 0 HG SER A 11 -14.872 5.645 -2.311 1.00 0.00 H new ATOM 191 N CYS A 12 -13.083 2.632 1.116 1.00 0.00 N ATOM 192 CA CYS A 12 -13.696 1.972 2.275 1.00 0.00 C ATOM 193 C CYS A 12 -12.695 1.175 3.126 1.00 0.00 C ATOM 194 O CYS A 12 -11.615 0.789 2.684 1.00 0.00 O ATOM 195 CB CYS A 12 -14.865 1.083 1.817 1.00 0.00 C ATOM 196 SG CYS A 12 -16.337 2.092 1.474 1.00 0.00 S ATOM 0 H CYS A 12 -12.593 1.992 0.490 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.073 2.761 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.580 0.530 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.093 0.347 2.588 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.310 1.322 1.087 1.00 0.00 H new ATOM 202 N ASN A 13 -13.086 0.901 4.372 1.00 0.00 N ATOM 203 CA ASN A 13 -12.255 0.287 5.408 1.00 0.00 C ATOM 204 C ASN A 13 -11.960 -1.183 5.113 1.00 0.00 C ATOM 205 O ASN A 13 -10.885 -1.667 5.477 1.00 0.00 O ATOM 206 CB ASN A 13 -12.932 0.422 6.780 1.00 0.00 C ATOM 207 CG ASN A 13 -14.187 -0.432 6.851 1.00 0.00 C ATOM 208 OD1 ASN A 13 -14.131 -1.602 7.212 1.00 0.00 O ATOM 209 ND2 ASN A 13 -15.310 0.085 6.388 1.00 0.00 N ATOM 0 H ASN A 13 -14.029 1.110 4.700 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.303 0.818 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.237 0.121 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.187 1.466 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.149 -0.491 6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.338 1.061 6.092 1.00 0.00 H new ATOM 216 N HIS A 14 -12.874 -1.890 4.435 1.00 0.00 N ATOM 217 CA HIS A 14 -12.611 -3.233 3.929 1.00 0.00 C ATOM 218 C HIS A 14 -11.413 -3.182 2.981 1.00 0.00 C ATOM 219 O HIS A 14 -10.511 -4.016 3.055 1.00 0.00 O ATOM 220 CB HIS A 14 -13.847 -3.787 3.203 1.00 0.00 C ATOM 221 CG HIS A 14 -13.614 -5.178 2.658 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.159 -5.513 1.397 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.745 -6.337 3.369 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.014 -6.852 1.359 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.366 -7.399 2.539 1.00 0.00 N ATOM 0 H HIS A 14 -13.810 -1.544 4.225 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.386 -3.897 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.692 -3.805 3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.116 -3.119 2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -14.082 -6.420 4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.664 -7.409 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.358 -8.390 2.780 1.00 0.00 H new ATOM 233 N CYS A 15 -11.387 -2.165 2.120 1.00 0.00 N ATOM 234 CA CYS A 15 -10.356 -1.992 1.126 1.00 0.00 C ATOM 235 C CYS A 15 -8.981 -1.858 1.786 1.00 0.00 C ATOM 236 O CYS A 15 -8.025 -2.456 1.305 1.00 0.00 O ATOM 237 CB CYS A 15 -10.718 -0.834 0.206 1.00 0.00 C ATOM 238 SG CYS A 15 -12.442 -0.976 -0.363 1.00 0.00 S ATOM 0 H CYS A 15 -12.097 -1.433 2.102 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.290 -2.880 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.580 0.111 0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.047 -0.822 -0.653 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.725 0.024 -1.144 1.00 0.00 H new ATOM 244 N LYS A 16 -8.868 -1.172 2.933 1.00 0.00 N ATOM 245 CA LYS A 16 -7.605 -1.069 3.677 1.00 0.00 C ATOM 246 C LYS A 16 -7.015 -2.456 3.981 1.00 0.00 C ATOM 247 O LYS A 16 -5.808 -2.661 3.823 1.00 0.00 O ATOM 248 CB LYS A 16 -7.789 -0.205 4.940 1.00 0.00 C ATOM 249 CG LYS A 16 -6.476 -0.021 5.722 1.00 0.00 C ATOM 250 CD LYS A 16 -6.621 0.612 7.109 1.00 0.00 C ATOM 251 CE LYS A 16 -5.739 -0.143 8.116 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.494 -1.143 8.904 1.00 0.00 N ATOM 0 H LYS A 16 -9.645 -0.676 3.369 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.873 -0.563 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.179 0.772 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.533 -0.668 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.000 -0.995 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.803 0.597 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.331 1.662 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.663 0.580 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.932 -0.643 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.276 0.573 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.850 -1.621 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.248 -0.666 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.915 -1.845 8.262 1.00 0.00 H new ATOM 266 N MET A 17 -7.835 -3.435 4.366 1.00 0.00 N ATOM 267 CA MET A 17 -7.400 -4.765 4.680 1.00 0.00 C ATOM 268 C MET A 17 -6.876 -5.464 3.415 1.00 0.00 C ATOM 269 O MET A 17 -5.924 -6.234 3.532 1.00 0.00 O ATOM 270 CB MET A 17 -8.568 -5.445 5.419 1.00 0.00 C ATOM 271 CG MET A 17 -8.587 -6.962 5.313 1.00 0.00 C ATOM 272 SD MET A 17 -8.725 -7.874 6.871 1.00 0.00 S ATOM 273 CE MET A 17 -10.322 -7.236 7.425 1.00 0.00 C ATOM 0 H MET A 17 -8.842 -3.305 4.465 1.00 0.00 H new ATOM 0 HA MET A 17 -6.541 -4.802 5.350 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.525 -5.168 6.472 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.506 -5.055 5.025 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.421 -7.250 4.673 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.674 -7.281 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.666 -7.812 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.217 -6.189 7.709 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.048 -7.322 6.617 1.00 0.00 H new ATOM 283 N ARG A 18 -7.419 -5.194 2.215 1.00 0.00 N ATOM 284 CA ARG A 18 -6.993 -5.871 0.984 1.00 0.00 C ATOM 285 C ARG A 18 -5.495 -5.698 0.786 1.00 0.00 C ATOM 286 O ARG A 18 -4.793 -6.669 0.505 1.00 0.00 O ATOM 287 CB ARG A 18 -7.772 -5.379 -0.241 1.00 0.00 C ATOM 288 CG ARG A 18 -9.273 -5.648 -0.086 1.00 0.00 C ATOM 289 CD ARG A 18 -9.914 -6.169 -1.369 1.00 0.00 C ATOM 290 NE ARG A 18 -9.984 -7.629 -1.460 1.00 0.00 N ATOM 291 CZ ARG A 18 -10.298 -8.304 -2.574 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.679 -7.659 -3.681 1.00 0.00 N ATOM 293 NH2 ARG A 18 -10.270 -9.629 -2.571 1.00 0.00 N ATOM 0 H ARG A 18 -8.159 -4.506 2.075 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.214 -6.933 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.603 -4.311 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.401 -5.878 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.427 -6.373 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.773 -4.728 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.923 -5.763 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.351 -5.790 -2.222 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.780 -8.168 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.733 -6.640 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.915 -8.185 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.010 -10.132 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.508 -10.146 -3.417 1.00 0.00 H new ATOM 307 N ILE A 19 -5.019 -4.469 1.003 1.00 0.00 N ATOM 308 CA ILE A 19 -3.617 -4.120 0.936 1.00 0.00 C ATOM 309 C ILE A 19 -2.902 -4.857 2.054 1.00 0.00 C ATOM 310 O ILE A 19 -2.067 -5.704 1.764 1.00 0.00 O ATOM 311 CB ILE A 19 -3.432 -2.592 0.993 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.009 -1.934 -0.273 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.945 -2.245 1.103 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.492 -1.609 -0.164 1.00 0.00 C ATOM 0 H ILE A 19 -5.620 -3.678 1.235 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.179 -4.427 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.961 -2.216 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.458 -1.017 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.852 -2.599 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.826 -1.162 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.534 -2.689 2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.415 -2.637 0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.832 -1.148 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.054 -2.526 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.653 -0.920 0.665 1.00 0.00 H new ATOM 326 N SER A 20 -3.217 -4.540 3.315 1.00 0.00 N ATOM 327 CA SER A 20 -2.486 -5.026 4.465 1.00 0.00 C ATOM 328 C SER A 20 -2.241 -6.525 4.412 1.00 0.00 C ATOM 329 O SER A 20 -1.105 -6.951 4.559 1.00 0.00 O ATOM 330 CB SER A 20 -3.231 -4.691 5.747 1.00 0.00 C ATOM 331 OG SER A 20 -3.914 -3.444 5.719 1.00 0.00 O ATOM 0 H SER A 20 -3.998 -3.930 3.556 1.00 0.00 H new ATOM 0 HA SER A 20 -1.517 -4.527 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.952 -5.482 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.522 -4.685 6.574 1.00 0.00 H new ATOM 0 HG SER A 20 -4.369 -3.301 6.575 1.00 0.00 H new ATOM 337 N LYS A 21 -3.286 -7.314 4.155 1.00 0.00 N ATOM 338 CA LYS A 21 -3.195 -8.762 4.102 1.00 0.00 C ATOM 339 C LYS A 21 -2.086 -9.185 3.131 1.00 0.00 C ATOM 340 O LYS A 21 -1.202 -9.947 3.504 1.00 0.00 O ATOM 341 CB LYS A 21 -4.577 -9.284 3.687 1.00 0.00 C ATOM 342 CG LYS A 21 -4.764 -10.802 3.751 1.00 0.00 C ATOM 343 CD LYS A 21 -5.187 -11.327 5.131 1.00 0.00 C ATOM 344 CE LYS A 21 -5.909 -12.669 4.946 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.258 -13.328 6.223 1.00 0.00 N ATOM 0 H LYS A 21 -4.224 -6.956 3.977 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.927 -9.187 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.327 -8.818 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.777 -8.955 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.515 -11.095 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.830 -11.284 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.314 -11.453 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.843 -10.609 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.819 -12.507 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.275 -13.337 4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.742 -14.228 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.391 -13.512 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.887 -12.708 6.773 1.00 0.00 H new ATOM 359 N ALA A 22 -2.103 -8.647 1.910 1.00 0.00 N ATOM 360 CA ALA A 22 -1.077 -8.911 0.914 1.00 0.00 C ATOM 361 C ALA A 22 0.292 -8.351 1.327 1.00 0.00 C ATOM 362 O ALA A 22 1.316 -8.947 0.999 1.00 0.00 O ATOM 363 CB ALA A 22 -1.521 -8.310 -0.423 1.00 0.00 C ATOM 0 H ALA A 22 -2.835 -8.014 1.588 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.957 -9.990 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.759 -8.501 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.462 -8.766 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.658 -7.235 -0.311 1.00 0.00 H new ATOM 369 N LEU A 23 0.342 -7.208 2.021 1.00 0.00 N ATOM 370 CA LEU A 23 1.590 -6.614 2.497 1.00 0.00 C ATOM 371 C LEU A 23 2.286 -7.539 3.497 1.00 0.00 C ATOM 372 O LEU A 23 3.503 -7.716 3.433 1.00 0.00 O ATOM 373 CB LEU A 23 1.361 -5.250 3.162 1.00 0.00 C ATOM 374 CG LEU A 23 0.942 -4.079 2.268 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.903 -2.817 3.138 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.888 -3.859 1.083 1.00 0.00 C ATOM 0 H LEU A 23 -0.488 -6.669 2.268 1.00 0.00 H new ATOM 0 HA LEU A 23 2.221 -6.473 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.597 -5.376 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.282 -4.968 3.673 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.035 -4.307 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.607 -1.964 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.183 -2.953 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.891 -2.636 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.537 -3.016 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.892 -3.649 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.910 -4.756 0.463 1.00 0.00 H new ATOM 388 N GLU A 24 1.538 -8.098 4.445 1.00 0.00 N ATOM 389 CA GLU A 24 2.083 -9.005 5.445 1.00 0.00 C ATOM 390 C GLU A 24 2.726 -10.226 4.776 1.00 0.00 C ATOM 391 O GLU A 24 3.788 -10.672 5.210 1.00 0.00 O ATOM 392 CB GLU A 24 1.003 -9.397 6.468 1.00 0.00 C ATOM 393 CG GLU A 24 0.461 -8.163 7.204 1.00 0.00 C ATOM 394 CD GLU A 24 -0.025 -8.414 8.626 1.00 0.00 C ATOM 395 OE1 GLU A 24 -0.810 -9.366 8.864 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.192 -7.528 9.480 1.00 0.00 O ATOM 0 H GLU A 24 0.536 -7.933 4.539 1.00 0.00 H new ATOM 0 HA GLU A 24 2.872 -8.491 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.186 -9.909 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.420 -10.100 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.244 -7.405 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.363 -7.747 6.624 1.00 0.00 H new ATOM 403 N GLU A 25 2.151 -10.731 3.679 1.00 0.00 N ATOM 404 CA GLU A 25 2.726 -11.827 2.908 1.00 0.00 C ATOM 405 C GLU A 25 3.932 -11.357 2.092 1.00 0.00 C ATOM 406 O GLU A 25 4.938 -12.060 1.993 1.00 0.00 O ATOM 407 CB GLU A 25 1.657 -12.428 1.984 1.00 0.00 C ATOM 408 CG GLU A 25 0.414 -12.939 2.732 1.00 0.00 C ATOM 409 CD GLU A 25 0.626 -14.189 3.590 1.00 0.00 C ATOM 410 OE1 GLU A 25 1.773 -14.647 3.802 1.00 0.00 O ATOM 411 OE2 GLU A 25 -0.397 -14.762 4.033 1.00 0.00 O ATOM 0 H GLU A 25 1.268 -10.385 3.303 1.00 0.00 H new ATOM 0 HA GLU A 25 3.073 -12.592 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.350 -11.674 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.096 -13.252 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.043 -12.139 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.367 -13.150 2.001 1.00 0.00 H new ATOM 418 N LEU A 26 3.880 -10.135 1.563 1.00 0.00 N ATOM 419 CA LEU A 26 4.917 -9.499 0.783 1.00 0.00 C ATOM 420 C LEU A 26 6.206 -9.302 1.591 1.00 0.00 C ATOM 421 O LEU A 26 7.258 -9.056 1.003 1.00 0.00 O ATOM 422 CB LEU A 26 4.310 -8.175 0.297 1.00 0.00 C ATOM 423 CG LEU A 26 5.240 -7.227 -0.438 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.795 -7.802 -1.737 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.507 -5.918 -0.725 1.00 0.00 C ATOM 0 H LEU A 26 3.062 -9.536 1.680 1.00 0.00 H new ATOM 0 HA LEU A 26 5.224 -10.118 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.471 -8.406 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.903 -7.650 1.161 1.00 0.00 H new ATOM 0 HG LEU A 26 6.096 -7.057 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.451 -7.070 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.359 -8.709 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.972 -8.038 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.174 -5.236 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.631 -6.119 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.193 -5.463 0.215 1.00 0.00 H new ATOM 437 N GLY A 27 6.169 -9.431 2.919 1.00 0.00 N ATOM 438 CA GLY A 27 7.365 -9.312 3.739 1.00 0.00 C ATOM 439 C GLY A 27 7.766 -7.861 3.941 1.00 0.00 C ATOM 440 O GLY A 27 8.951 -7.573 4.137 1.00 0.00 O ATOM 0 H GLY A 27 5.317 -9.619 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.190 -9.779 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.185 -9.854 3.267 1.00 0.00 H new ATOM 444 N VAL A 28 6.791 -6.947 3.918 1.00 0.00 N ATOM 445 CA VAL A 28 6.963 -5.649 4.554 1.00 0.00 C ATOM 446 C VAL A 28 7.240 -5.900 6.045 1.00 0.00 C ATOM 447 O VAL A 28 6.931 -6.977 6.570 1.00 0.00 O ATOM 448 CB VAL A 28 5.695 -4.797 4.307 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.543 -5.164 5.250 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.953 -3.291 4.409 1.00 0.00 C ATOM 0 H VAL A 28 5.885 -7.085 3.469 1.00 0.00 H new ATOM 0 HA VAL A 28 7.802 -5.090 4.140 1.00 0.00 H new ATOM 0 HB VAL A 28 5.407 -5.033 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.680 -4.535 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.275 -6.211 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.854 -5.007 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.025 -2.750 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.322 -3.052 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.696 -2.998 3.668 1.00 0.00 H new ATOM 460 N LYS A 29 7.726 -4.884 6.756 1.00 0.00 N ATOM 461 CA LYS A 29 7.784 -4.919 8.216 1.00 0.00 C ATOM 462 C LYS A 29 7.209 -3.668 8.857 1.00 0.00 C ATOM 463 O LYS A 29 7.021 -3.675 10.070 1.00 0.00 O ATOM 464 CB LYS A 29 9.246 -5.153 8.654 1.00 0.00 C ATOM 465 CG LYS A 29 9.402 -6.437 9.481 1.00 0.00 C ATOM 466 CD LYS A 29 10.870 -6.872 9.499 1.00 0.00 C ATOM 467 CE LYS A 29 11.274 -7.589 8.206 1.00 0.00 C ATOM 468 NZ LYS A 29 11.019 -9.041 8.263 1.00 0.00 N ATOM 0 H LYS A 29 8.086 -4.024 6.343 1.00 0.00 H new ATOM 0 HA LYS A 29 7.159 -5.742 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.884 -5.211 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.589 -4.301 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.051 -6.269 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.784 -7.229 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.505 -5.998 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.042 -7.533 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.724 -7.159 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.333 -7.416 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.309 -9.480 7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.564 -9.459 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.005 -9.209 8.419 1.00 0.00 H new ATOM 482 N ASN A 30 6.913 -2.624 8.081 1.00 0.00 N ATOM 483 CA ASN A 30 6.552 -1.323 8.596 1.00 0.00 C ATOM 484 C ASN A 30 5.597 -0.740 7.561 1.00 0.00 C ATOM 485 O ASN A 30 6.013 -0.520 6.425 1.00 0.00 O ATOM 486 CB ASN A 30 7.833 -0.484 8.762 1.00 0.00 C ATOM 487 CG ASN A 30 8.517 -0.599 10.115 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.915 -0.934 11.134 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.801 -0.298 10.173 1.00 0.00 N ATOM 0 H ASN A 30 6.921 -2.670 7.062 1.00 0.00 H new ATOM 0 HA ASN A 30 6.072 -1.351 9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.543 -0.779 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.587 0.563 8.586 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.296 -0.343 11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.298 -0.020 9.327 1.00 0.00 H new ATOM 496 N TYR A 31 4.314 -0.575 7.883 1.00 0.00 N ATOM 497 CA TYR A 31 3.299 -0.036 6.981 1.00 0.00 C ATOM 498 C TYR A 31 2.216 0.708 7.754 1.00 0.00 C ATOM 499 O TYR A 31 1.943 0.437 8.920 1.00 0.00 O ATOM 500 CB TYR A 31 2.737 -1.132 6.071 1.00 0.00 C ATOM 501 CG TYR A 31 1.889 -2.199 6.737 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.473 -3.339 7.314 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.495 -2.051 6.778 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.688 -4.332 7.928 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.306 -3.023 7.398 1.00 0.00 C ATOM 506 CZ TYR A 31 0.279 -4.171 7.987 1.00 0.00 C ATOM 507 OH TYR A 31 -0.535 -5.081 8.599 1.00 0.00 O ATOM 0 H TYR A 31 3.944 -0.819 8.802 1.00 0.00 H new ATOM 0 HA TYR A 31 3.770 0.699 6.328 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.138 -0.656 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.573 -1.623 5.573 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.546 -3.455 7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.034 -1.183 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.154 -5.210 8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.378 -2.894 7.426 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.013 -5.874 8.844 1.00 0.00 H new ATOM 517 N GLU A 32 1.607 1.672 7.073 1.00 0.00 N ATOM 518 CA GLU A 32 0.609 2.594 7.620 1.00 0.00 C ATOM 519 C GLU A 32 -0.358 2.936 6.492 1.00 0.00 C ATOM 520 O GLU A 32 -0.129 3.867 5.721 1.00 0.00 O ATOM 521 CB GLU A 32 1.251 3.884 8.184 1.00 0.00 C ATOM 522 CG GLU A 32 1.607 3.801 9.664 1.00 0.00 C ATOM 523 CD GLU A 32 2.227 5.135 10.138 1.00 0.00 C ATOM 524 OE1 GLU A 32 3.346 5.480 9.678 1.00 0.00 O ATOM 525 OE2 GLU A 32 1.624 5.878 10.938 1.00 0.00 O ATOM 0 H GLU A 32 1.800 1.842 6.086 1.00 0.00 H new ATOM 0 HA GLU A 32 0.094 2.117 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.154 4.107 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.564 4.716 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.714 3.578 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.310 2.985 9.832 1.00 0.00 H new ATOM 532 N VAL A 33 -1.418 2.148 6.357 1.00 0.00 N ATOM 533 CA VAL A 33 -2.505 2.434 5.424 1.00 0.00 C ATOM 534 C VAL A 33 -3.605 3.215 6.139 1.00 0.00 C ATOM 535 O VAL A 33 -3.932 2.940 7.296 1.00 0.00 O ATOM 536 CB VAL A 33 -3.009 1.133 4.748 1.00 0.00 C ATOM 537 CG1 VAL A 33 -3.171 -0.024 5.722 1.00 0.00 C ATOM 538 CG2 VAL A 33 -4.118 1.395 3.722 1.00 0.00 C ATOM 0 H VAL A 33 -1.550 1.290 6.892 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.141 3.066 4.614 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.217 0.742 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.526 -0.904 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.210 -0.246 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.893 0.247 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.434 0.451 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.967 1.866 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.742 2.055 2.940 1.00 0.00 H new ATOM 548 N SER A 34 -4.241 4.133 5.410 1.00 0.00 N ATOM 549 CA SER A 34 -5.433 4.820 5.840 1.00 0.00 C ATOM 550 C SER A 34 -6.460 4.831 4.720 1.00 0.00 C ATOM 551 O SER A 34 -6.229 5.371 3.641 1.00 0.00 O ATOM 552 CB SER A 34 -5.073 6.217 6.341 1.00 0.00 C ATOM 553 OG SER A 34 -6.079 6.627 7.242 1.00 0.00 O ATOM 0 H SER A 34 -3.924 4.418 4.483 1.00 0.00 H new ATOM 0 HA SER A 34 -5.891 4.293 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.101 6.207 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.001 6.915 5.507 1.00 0.00 H new ATOM 0 HG SER A 34 -5.870 7.523 7.580 1.00 0.00 H new ATOM 559 N VAL A 35 -7.610 4.224 5.005 1.00 0.00 N ATOM 560 CA VAL A 35 -8.865 4.506 4.332 1.00 0.00 C ATOM 561 C VAL A 35 -9.253 5.984 4.431 1.00 0.00 C ATOM 562 O VAL A 35 -9.759 6.536 3.454 1.00 0.00 O ATOM 563 CB VAL A 35 -9.943 3.498 4.806 1.00 0.00 C ATOM 564 CG1 VAL A 35 -9.919 3.244 6.323 1.00 0.00 C ATOM 565 CG2 VAL A 35 -11.361 3.975 4.442 1.00 0.00 C ATOM 0 H VAL A 35 -7.692 3.508 5.727 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.756 4.351 3.259 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.698 2.571 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.699 2.529 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.947 2.841 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.093 4.181 6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.091 3.244 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.555 4.936 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.442 4.083 3.360 1.00 0.00 H new ATOM 575 N GLU A 36 -8.992 6.655 5.558 1.00 0.00 N ATOM 576 CA GLU A 36 -9.369 8.052 5.721 1.00 0.00 C ATOM 577 C GLU A 36 -8.674 8.912 4.665 1.00 0.00 C ATOM 578 O GLU A 36 -9.351 9.680 3.983 1.00 0.00 O ATOM 579 CB GLU A 36 -9.112 8.517 7.161 1.00 0.00 C ATOM 580 CG GLU A 36 -10.423 8.462 7.966 1.00 0.00 C ATOM 581 CD GLU A 36 -10.277 8.837 9.445 1.00 0.00 C ATOM 582 OE1 GLU A 36 -9.147 8.996 9.961 1.00 0.00 O ATOM 583 OE2 GLU A 36 -11.304 8.900 10.157 1.00 0.00 O ATOM 0 H GLU A 36 -8.521 6.249 6.367 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.440 8.166 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.360 7.883 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.717 9.533 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.147 9.133 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.834 7.455 7.898 1.00 0.00 H new ATOM 590 N GLU A 37 -7.380 8.696 4.418 1.00 0.00 N ATOM 591 CA GLU A 37 -6.616 9.466 3.431 1.00 0.00 C ATOM 592 C GLU A 37 -6.440 8.746 2.081 1.00 0.00 C ATOM 593 O GLU A 37 -5.763 9.281 1.202 1.00 0.00 O ATOM 594 CB GLU A 37 -5.270 9.899 4.034 1.00 0.00 C ATOM 595 CG GLU A 37 -5.430 10.986 5.104 1.00 0.00 C ATOM 596 CD GLU A 37 -4.201 11.894 5.206 1.00 0.00 C ATOM 597 OE1 GLU A 37 -3.055 11.392 5.096 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.378 13.129 5.347 1.00 0.00 O ATOM 0 H GLU A 37 -6.831 7.982 4.897 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.202 10.354 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.776 9.032 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.621 10.268 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.307 11.591 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.612 10.516 6.071 1.00 0.00 H new ATOM 605 N LYS A 38 -7.043 7.564 1.895 1.00 0.00 N ATOM 606 CA LYS A 38 -6.886 6.685 0.725 1.00 0.00 C ATOM 607 C LYS A 38 -5.410 6.481 0.336 1.00 0.00 C ATOM 608 O LYS A 38 -4.995 6.677 -0.810 1.00 0.00 O ATOM 609 CB LYS A 38 -7.754 7.179 -0.441 1.00 0.00 C ATOM 610 CG LYS A 38 -9.254 7.096 -0.191 1.00 0.00 C ATOM 611 CD LYS A 38 -9.976 7.805 -1.337 1.00 0.00 C ATOM 612 CE LYS A 38 -10.232 9.277 -1.016 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.777 9.995 -2.180 1.00 0.00 N ATOM 0 H LYS A 38 -7.683 7.175 2.587 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.247 5.694 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.492 8.214 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.514 6.595 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.571 6.055 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.506 7.562 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.379 7.729 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.924 7.305 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.929 9.353 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.302 9.749 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.939 10.991 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.100 9.943 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.677 9.559 -2.467 1.00 0.00 H new ATOM 627 N LYS A 39 -4.588 6.079 1.302 1.00 0.00 N ATOM 628 CA LYS A 39 -3.129 6.125 1.206 1.00 0.00 C ATOM 629 C LYS A 39 -2.554 4.887 1.875 1.00 0.00 C ATOM 630 O LYS A 39 -3.181 4.329 2.776 1.00 0.00 O ATOM 631 CB LYS A 39 -2.670 7.429 1.879 1.00 0.00 C ATOM 632 CG LYS A 39 -1.656 8.205 1.037 1.00 0.00 C ATOM 633 CD LYS A 39 -1.295 9.548 1.686 1.00 0.00 C ATOM 634 CE LYS A 39 -2.452 10.529 1.505 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.344 11.725 2.365 1.00 0.00 N ATOM 0 H LYS A 39 -4.922 5.705 2.190 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.778 6.123 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.538 8.061 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.229 7.197 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.754 7.607 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.065 8.379 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.086 9.407 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.389 9.951 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.493 10.843 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.390 10.018 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.058 12.425 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.503 11.455 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.395 12.139 2.267 1.00 0.00 H new ATOM 649 N VAL A 40 -1.387 4.437 1.427 1.00 0.00 N ATOM 650 CA VAL A 40 -0.659 3.288 1.952 1.00 0.00 C ATOM 651 C VAL A 40 0.774 3.736 2.088 1.00 0.00 C ATOM 652 O VAL A 40 1.454 3.853 1.077 1.00 0.00 O ATOM 653 CB VAL A 40 -0.725 2.075 0.995 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.183 0.906 1.429 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.127 1.501 0.855 1.00 0.00 C ATOM 0 H VAL A 40 -0.900 4.885 0.651 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.094 2.968 2.899 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.384 2.487 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.089 0.088 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.219 1.243 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.117 0.560 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.106 0.653 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.484 1.171 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.796 2.267 0.463 1.00 0.00 H new ATOM 665 N VAL A 41 1.268 3.946 3.295 1.00 0.00 N ATOM 666 CA VAL A 41 2.702 3.847 3.467 1.00 0.00 C ATOM 667 C VAL A 41 3.071 2.364 3.490 1.00 0.00 C ATOM 668 O VAL A 41 2.415 1.571 4.170 1.00 0.00 O ATOM 669 CB VAL A 41 3.157 4.593 4.723 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.609 4.240 5.029 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.115 6.112 4.512 1.00 0.00 C ATOM 0 H VAL A 41 0.729 4.175 4.130 1.00 0.00 H new ATOM 0 HA VAL A 41 3.224 4.326 2.638 1.00 0.00 H new ATOM 0 HB VAL A 41 2.487 4.303 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.932 4.772 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.695 3.166 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.239 4.529 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.444 6.615 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.775 6.383 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.096 6.419 4.276 1.00 0.00 H new ATOM 681 N VAL A 42 4.178 2.033 2.833 1.00 0.00 N ATOM 682 CA VAL A 42 4.994 0.858 3.096 1.00 0.00 C ATOM 683 C VAL A 42 6.399 1.356 3.431 1.00 0.00 C ATOM 684 O VAL A 42 6.803 2.417 2.954 1.00 0.00 O ATOM 685 CB VAL A 42 5.035 -0.065 1.862 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.743 -0.875 1.766 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.283 0.702 0.548 1.00 0.00 C ATOM 0 H VAL A 42 4.545 2.602 2.070 1.00 0.00 H new ATOM 0 HA VAL A 42 4.577 0.279 3.920 1.00 0.00 H new ATOM 0 HB VAL A 42 5.881 -0.738 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.784 -1.523 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.628 -1.484 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.894 -0.197 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.301 -0.000 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.484 1.427 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.239 1.222 0.605 1.00 0.00 H new ATOM 697 N GLU A 43 7.167 0.556 4.164 1.00 0.00 N ATOM 698 CA GLU A 43 8.612 0.660 4.307 1.00 0.00 C ATOM 699 C GLU A 43 9.195 -0.730 4.018 1.00 0.00 C ATOM 700 O GLU A 43 8.882 -1.701 4.715 1.00 0.00 O ATOM 701 CB GLU A 43 8.973 1.205 5.694 1.00 0.00 C ATOM 702 CG GLU A 43 10.445 1.541 5.954 1.00 0.00 C ATOM 703 CD GLU A 43 10.766 1.363 7.446 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.509 2.292 8.253 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.215 0.264 7.837 1.00 0.00 O ATOM 0 H GLU A 43 6.778 -0.220 4.700 1.00 0.00 H new ATOM 0 HA GLU A 43 9.043 1.370 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.385 2.107 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.658 0.473 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.086 0.894 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.653 2.566 5.648 1.00 0.00 H new ATOM 712 N THR A 44 9.973 -0.841 2.937 1.00 0.00 N ATOM 713 CA THR A 44 10.627 -2.067 2.494 1.00 0.00 C ATOM 714 C THR A 44 11.863 -1.687 1.673 1.00 0.00 C ATOM 715 O THR A 44 11.910 -0.600 1.087 1.00 0.00 O ATOM 716 CB THR A 44 9.607 -2.889 1.672 1.00 0.00 C ATOM 717 OG1 THR A 44 10.144 -4.097 1.154 1.00 0.00 O ATOM 718 CG2 THR A 44 9.024 -2.119 0.478 1.00 0.00 C ATOM 0 H THR A 44 10.169 -0.048 2.327 1.00 0.00 H new ATOM 0 HA THR A 44 10.958 -2.679 3.333 1.00 0.00 H new ATOM 0 HB THR A 44 8.824 -3.106 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.453 -4.571 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.316 -2.755 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.512 -1.226 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.830 -1.829 -0.196 1.00 0.00 H new ATOM 726 N GLU A 45 12.827 -2.597 1.533 1.00 0.00 N ATOM 727 CA GLU A 45 13.889 -2.460 0.542 1.00 0.00 C ATOM 728 C GLU A 45 13.360 -2.549 -0.901 1.00 0.00 C ATOM 729 O GLU A 45 14.050 -2.105 -1.818 1.00 0.00 O ATOM 730 CB GLU A 45 14.975 -3.533 0.755 1.00 0.00 C ATOM 731 CG GLU A 45 16.106 -3.104 1.706 1.00 0.00 C ATOM 732 CD GLU A 45 15.864 -3.344 3.200 1.00 0.00 C ATOM 733 OE1 GLU A 45 14.706 -3.440 3.656 1.00 0.00 O ATOM 734 OE2 GLU A 45 16.865 -3.306 3.959 1.00 0.00 O ATOM 0 H GLU A 45 12.892 -3.443 2.099 1.00 0.00 H new ATOM 0 HA GLU A 45 14.318 -1.468 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.507 -4.435 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.407 -3.794 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.015 -3.632 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.294 -2.041 1.556 1.00 0.00 H new ATOM 741 N ASN A 46 12.191 -3.155 -1.149 1.00 0.00 N ATOM 742 CA ASN A 46 11.878 -3.708 -2.474 1.00 0.00 C ATOM 743 C ASN A 46 10.555 -3.208 -3.034 1.00 0.00 C ATOM 744 O ASN A 46 9.664 -3.989 -3.373 1.00 0.00 O ATOM 745 CB ASN A 46 11.995 -5.243 -2.443 1.00 0.00 C ATOM 746 CG ASN A 46 12.553 -5.759 -3.757 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.801 -5.705 -4.838 1.00 0.00 O flip ATOM 748 ND2 ASN A 46 13.689 -6.219 -3.799 1.00 0.00 N flip ATOM 0 H ASN A 46 11.452 -3.274 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 46 12.619 -3.335 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.643 -5.548 -1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.016 -5.685 -2.258 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.257 -6.253 -2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.066 -6.568 -4.680 1.00 0.00 H new ATOM 755 N LEU A 47 10.458 -1.886 -3.168 1.00 0.00 N ATOM 756 CA LEU A 47 9.265 -1.147 -3.563 1.00 0.00 C ATOM 757 C LEU A 47 8.603 -1.671 -4.831 1.00 0.00 C ATOM 758 O LEU A 47 7.378 -1.738 -4.878 1.00 0.00 O ATOM 759 CB LEU A 47 9.636 0.322 -3.761 1.00 0.00 C ATOM 760 CG LEU A 47 8.424 1.238 -4.050 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.402 1.146 -2.906 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.950 2.668 -4.227 1.00 0.00 C ATOM 0 H LEU A 47 11.253 -1.271 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 47 8.538 -1.275 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.147 0.682 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.344 0.400 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 47 7.910 0.926 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.554 1.796 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.055 0.117 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.871 1.460 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.116 3.339 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.455 2.985 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.653 2.697 -5.060 1.00 0.00 H new ATOM 774 N ASP A 48 9.385 -2.069 -5.839 1.00 0.00 N ATOM 775 CA ASP A 48 8.830 -2.635 -7.074 1.00 0.00 C ATOM 776 C ASP A 48 7.885 -3.791 -6.752 1.00 0.00 C ATOM 777 O ASP A 48 6.755 -3.827 -7.230 1.00 0.00 O ATOM 778 CB ASP A 48 9.941 -3.129 -8.007 1.00 0.00 C ATOM 779 CG ASP A 48 9.343 -3.766 -9.265 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.850 -3.035 -10.147 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.402 -5.005 -9.427 1.00 0.00 O ATOM 0 H ASP A 48 10.403 -2.010 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 48 8.277 -1.844 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.587 -2.296 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.565 -3.855 -7.486 1.00 0.00 H new ATOM 786 N SER A 49 8.300 -4.685 -5.851 1.00 0.00 N ATOM 787 CA SER A 49 7.494 -5.835 -5.483 1.00 0.00 C ATOM 788 C SER A 49 6.173 -5.401 -4.834 1.00 0.00 C ATOM 789 O SER A 49 5.184 -6.113 -4.994 1.00 0.00 O ATOM 790 CB SER A 49 8.300 -6.803 -4.608 1.00 0.00 C ATOM 791 OG SER A 49 8.125 -8.119 -5.092 1.00 0.00 O ATOM 0 H SER A 49 9.195 -4.627 -5.365 1.00 0.00 H new ATOM 0 HA SER A 49 7.225 -6.378 -6.389 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.356 -6.534 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.970 -6.737 -3.571 1.00 0.00 H new ATOM 0 HG SER A 49 8.639 -8.742 -4.538 1.00 0.00 H new ATOM 797 N VAL A 50 6.120 -4.237 -4.168 1.00 0.00 N ATOM 798 CA VAL A 50 4.893 -3.653 -3.633 1.00 0.00 C ATOM 799 C VAL A 50 3.990 -3.217 -4.784 1.00 0.00 C ATOM 800 O VAL A 50 2.820 -3.586 -4.784 1.00 0.00 O ATOM 801 CB VAL A 50 5.162 -2.450 -2.696 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.887 -2.128 -1.905 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.324 -2.629 -1.703 1.00 0.00 C ATOM 0 H VAL A 50 6.948 -3.669 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 50 4.403 -4.422 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 50 5.459 -1.636 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.073 -1.281 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.083 -1.878 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.598 -2.995 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.426 -1.729 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.121 -3.482 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.249 -2.802 -2.253 1.00 0.00 H new ATOM 813 N LEU A 51 4.499 -2.435 -5.744 1.00 0.00 N ATOM 814 CA LEU A 51 3.707 -1.936 -6.876 1.00 0.00 C ATOM 815 C LEU A 51 3.042 -3.101 -7.609 1.00 0.00 C ATOM 816 O LEU A 51 1.866 -3.023 -7.978 1.00 0.00 O ATOM 817 CB LEU A 51 4.594 -1.144 -7.857 1.00 0.00 C ATOM 818 CG LEU A 51 5.091 0.208 -7.314 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.048 0.866 -8.312 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.917 1.148 -7.010 1.00 0.00 C ATOM 0 H LEU A 51 5.472 -2.130 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 51 2.938 -1.270 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.457 -1.755 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.033 -0.969 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 51 5.626 0.019 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.390 1.821 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.906 0.214 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.531 1.032 -9.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.299 2.095 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.349 1.327 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.268 0.690 -6.263 1.00 0.00 H new ATOM 832 N LYS A 52 3.796 -4.193 -7.759 1.00 0.00 N ATOM 833 CA LYS A 52 3.342 -5.442 -8.343 1.00 0.00 C ATOM 834 C LYS A 52 2.266 -6.030 -7.450 1.00 0.00 C ATOM 835 O LYS A 52 1.155 -6.232 -7.915 1.00 0.00 O ATOM 836 CB LYS A 52 4.524 -6.404 -8.566 1.00 0.00 C ATOM 837 CG LYS A 52 5.252 -6.225 -9.910 1.00 0.00 C ATOM 838 CD LYS A 52 5.778 -4.811 -10.201 1.00 0.00 C ATOM 839 CE LYS A 52 6.459 -4.666 -11.560 1.00 0.00 C ATOM 840 NZ LYS A 52 7.689 -5.476 -11.638 1.00 0.00 N ATOM 0 H LYS A 52 4.772 -4.225 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 52 2.910 -5.265 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.243 -6.269 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.159 -7.429 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.092 -6.919 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.571 -6.511 -10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.947 -4.108 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.485 -4.530 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.770 -4.972 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.701 -3.618 -11.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.318 -5.083 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.174 -5.461 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.444 -6.456 -11.884 1.00 0.00 H new ATOM 854 N LYS A 53 2.566 -6.281 -6.171 1.00 0.00 N ATOM 855 CA LYS A 53 1.650 -6.923 -5.227 1.00 0.00 C ATOM 856 C LYS A 53 0.306 -6.193 -5.147 1.00 0.00 C ATOM 857 O LYS A 53 -0.723 -6.851 -5.000 1.00 0.00 O ATOM 858 CB LYS A 53 2.310 -7.011 -3.839 1.00 0.00 C ATOM 859 CG LYS A 53 1.617 -7.989 -2.879 1.00 0.00 C ATOM 860 CD LYS A 53 1.952 -9.449 -3.221 1.00 0.00 C ATOM 861 CE LYS A 53 1.298 -10.387 -2.206 1.00 0.00 C ATOM 862 NZ LYS A 53 1.373 -11.795 -2.631 1.00 0.00 N ATOM 0 H LYS A 53 3.467 -6.039 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 53 1.442 -7.930 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.350 -7.313 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.317 -6.019 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.924 -7.775 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.538 -7.842 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.601 -9.685 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.032 -9.593 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.788 -10.273 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.254 -10.104 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.919 -12.398 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.884 -11.909 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.370 -12.073 -2.736 1.00 0.00 H new ATOM 876 N LEU A 54 0.319 -4.860 -5.211 1.00 0.00 N ATOM 877 CA LEU A 54 -0.868 -4.013 -5.174 1.00 0.00 C ATOM 878 C LEU A 54 -1.716 -4.224 -6.426 1.00 0.00 C ATOM 879 O LEU A 54 -2.917 -4.472 -6.329 1.00 0.00 O ATOM 880 CB LEU A 54 -0.413 -2.551 -5.043 1.00 0.00 C ATOM 881 CG LEU A 54 -0.279 -2.025 -3.601 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.612 -1.444 -3.108 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.224 -3.027 -2.547 1.00 0.00 C ATOM 0 H LEU A 54 1.185 -4.327 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.492 -4.274 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.550 -2.442 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.122 -1.919 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 54 0.498 -1.265 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.494 -1.079 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.912 -0.621 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.377 -2.220 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.275 -2.537 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.462 -3.872 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.216 -3.382 -2.827 1.00 0.00 H new ATOM 895 N GLU A 55 -1.112 -4.167 -7.610 1.00 0.00 N ATOM 896 CA GLU A 55 -1.835 -4.395 -8.845 1.00 0.00 C ATOM 897 C GLU A 55 -2.366 -5.839 -8.887 1.00 0.00 C ATOM 898 O GLU A 55 -3.496 -6.087 -9.308 1.00 0.00 O ATOM 899 CB GLU A 55 -0.872 -4.033 -9.975 1.00 0.00 C ATOM 900 CG GLU A 55 -1.526 -4.077 -11.351 1.00 0.00 C ATOM 901 CD GLU A 55 -0.975 -2.971 -12.243 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.258 -2.942 -12.462 1.00 0.00 O ATOM 903 OE2 GLU A 55 -1.740 -2.063 -12.630 1.00 0.00 O ATOM 0 H GLU A 55 -0.120 -3.964 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.727 -3.776 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.474 -3.034 -9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.026 -4.720 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.347 -5.048 -11.814 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.606 -3.966 -11.250 1.00 0.00 H new ATOM 910 N GLU A 56 -1.606 -6.780 -8.326 1.00 0.00 N ATOM 911 CA GLU A 56 -1.940 -8.190 -8.161 1.00 0.00 C ATOM 912 C GLU A 56 -3.150 -8.465 -7.259 1.00 0.00 C ATOM 913 O GLU A 56 -3.633 -9.601 -7.262 1.00 0.00 O ATOM 914 CB GLU A 56 -0.705 -8.929 -7.612 1.00 0.00 C ATOM 915 CG GLU A 56 0.028 -9.729 -8.690 1.00 0.00 C ATOM 916 CD GLU A 56 -0.659 -11.075 -8.889 1.00 0.00 C ATOM 917 OE1 GLU A 56 -0.437 -11.976 -8.045 1.00 0.00 O ATOM 918 OE2 GLU A 56 -1.458 -11.231 -9.845 1.00 0.00 O ATOM 0 H GLU A 56 -0.683 -6.561 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.227 -8.555 -9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.019 -8.205 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.014 -9.602 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.036 -9.172 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.068 -9.880 -8.400 1.00 0.00 H new ATOM 925 N ILE A 57 -3.647 -7.479 -6.502 1.00 0.00 N ATOM 926 CA ILE A 57 -4.875 -7.604 -5.718 1.00 0.00 C ATOM 927 C ILE A 57 -6.027 -6.813 -6.327 1.00 0.00 C ATOM 928 O ILE A 57 -7.030 -6.675 -5.627 1.00 0.00 O ATOM 929 CB ILE A 57 -4.681 -7.251 -4.223 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.253 -5.797 -3.991 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.700 -8.200 -3.546 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.496 -5.294 -2.572 1.00 0.00 C ATOM 0 H ILE A 57 -3.202 -6.565 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.141 -8.660 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.664 -7.371 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.192 -5.701 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.791 -5.156 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.589 -7.922 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.077 -9.221 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.732 -8.137 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.166 -4.258 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.560 -5.355 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.936 -5.909 -1.867 1.00 0.00 H new ATOM 944 N ASP A 58 -5.928 -6.329 -7.572 1.00 0.00 N ATOM 945 CA ASP A 58 -6.886 -5.437 -8.251 1.00 0.00 C ATOM 946 C ASP A 58 -6.785 -3.981 -7.774 1.00 0.00 C ATOM 947 O ASP A 58 -7.757 -3.230 -7.887 1.00 0.00 O ATOM 948 CB ASP A 58 -8.329 -5.941 -8.066 1.00 0.00 C ATOM 949 CG ASP A 58 -9.339 -5.324 -9.023 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.069 -5.228 -10.236 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.462 -5.017 -8.547 1.00 0.00 O ATOM 0 H ASP A 58 -5.134 -6.560 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.623 -5.456 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.342 -7.024 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.644 -5.736 -7.043 1.00 0.00 H new ATOM 956 N TYR A 59 -5.657 -3.566 -7.171 1.00 0.00 N ATOM 957 CA TYR A 59 -5.507 -2.231 -6.590 1.00 0.00 C ATOM 958 C TYR A 59 -4.367 -1.458 -7.273 1.00 0.00 C ATOM 959 O TYR A 59 -3.262 -1.401 -6.729 1.00 0.00 O ATOM 960 CB TYR A 59 -5.348 -2.267 -5.056 1.00 0.00 C ATOM 961 CG TYR A 59 -6.611 -2.537 -4.248 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.432 -3.650 -4.503 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.981 -1.663 -3.213 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.636 -3.844 -3.808 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.096 -1.941 -2.409 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.974 -2.988 -2.740 1.00 0.00 C ATOM 967 OH TYR A 59 -10.114 -3.154 -2.013 1.00 0.00 O ATOM 0 H TYR A 59 -4.827 -4.151 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.434 -1.691 -6.781 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.613 -3.033 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.934 -1.312 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.130 -4.370 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.402 -0.769 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.301 -4.646 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.282 -1.345 -1.528 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.721 -3.758 -2.490 1.00 0.00 H new ATOM 977 N PRO A 60 -4.592 -0.859 -8.454 1.00 0.00 N ATOM 978 CA PRO A 60 -3.595 -0.045 -9.135 1.00 0.00 C ATOM 979 C PRO A 60 -3.357 1.265 -8.370 1.00 0.00 C ATOM 980 O PRO A 60 -4.267 2.082 -8.193 1.00 0.00 O ATOM 981 CB PRO A 60 -4.139 0.181 -10.548 1.00 0.00 C ATOM 982 CG PRO A 60 -5.651 0.082 -10.373 1.00 0.00 C ATOM 983 CD PRO A 60 -5.833 -0.896 -9.211 1.00 0.00 C ATOM 0 HA PRO A 60 -2.621 -0.531 -9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.844 1.154 -10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.767 -0.569 -11.245 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.090 1.054 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.133 -0.283 -11.280 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.679 -0.607 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.036 -1.902 -9.577 1.00 0.00 H new ATOM 991 N VAL A 61 -2.120 1.457 -7.916 1.00 0.00 N ATOM 992 CA VAL A 61 -1.648 2.654 -7.229 1.00 0.00 C ATOM 993 C VAL A 61 -1.743 3.845 -8.201 1.00 0.00 C ATOM 994 O VAL A 61 -1.346 3.715 -9.361 1.00 0.00 O ATOM 995 CB VAL A 61 -0.196 2.390 -6.764 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.413 3.590 -6.026 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.080 1.164 -5.837 1.00 0.00 C ATOM 0 H VAL A 61 -1.390 0.752 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.252 2.892 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 61 0.354 2.205 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.432 3.351 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.425 4.456 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.185 3.816 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.961 1.028 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.691 1.321 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.428 0.275 -6.364 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.205 5.016 -7.736 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.247 6.216 -8.565 1.00 0.00 C ATOM 1009 C GLU A 62 -0.821 6.745 -8.751 1.00 0.00 C ATOM 1010 O GLU A 62 -0.403 7.007 -9.880 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.180 7.286 -7.955 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.306 8.526 -8.868 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.497 9.481 -8.607 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.550 9.130 -8.022 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.405 10.676 -8.977 1.00 0.00 O ATOM 0 H GLU A 62 -2.554 5.151 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.660 5.966 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.167 6.855 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.797 7.589 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.385 9.103 -8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.370 8.180 -9.900 1.00 0.00 H new ATOM 1022 N SER A 63 -0.077 6.941 -7.656 1.00 0.00 N ATOM 1023 CA SER A 63 1.305 7.427 -7.633 1.00 0.00 C ATOM 1024 C SER A 63 1.960 7.092 -6.283 1.00 0.00 C ATOM 1025 O SER A 63 1.260 6.753 -5.323 1.00 0.00 O ATOM 1026 CB SER A 63 1.300 8.947 -7.824 1.00 0.00 C ATOM 1027 OG SER A 63 0.706 9.331 -9.057 1.00 0.00 O ATOM 0 H SER A 63 -0.439 6.756 -6.721 1.00 0.00 H new ATOM 0 HA SER A 63 1.869 6.947 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.758 9.413 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.323 9.320 -7.784 1.00 0.00 H new ATOM 0 HG SER A 63 0.722 10.308 -9.138 1.00 0.00 H new ATOM 1033 N TYR A 64 3.280 7.243 -6.159 1.00 0.00 N ATOM 1034 CA TYR A 64 4.021 7.093 -4.906 1.00 0.00 C ATOM 1035 C TYR A 64 4.988 8.271 -4.719 1.00 0.00 C ATOM 1036 O TYR A 64 5.168 9.067 -5.643 1.00 0.00 O ATOM 1037 CB TYR A 64 4.758 5.750 -4.878 1.00 0.00 C ATOM 1038 CG TYR A 64 5.868 5.597 -5.901 1.00 0.00 C ATOM 1039 CD1 TYR A 64 5.587 5.081 -7.181 1.00 0.00 C ATOM 1040 CD2 TYR A 64 7.192 5.933 -5.558 1.00 0.00 C ATOM 1041 CE1 TYR A 64 6.623 4.922 -8.118 1.00 0.00 C ATOM 1042 CE2 TYR A 64 8.230 5.775 -6.491 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.950 5.276 -7.780 1.00 0.00 C ATOM 1044 OH TYR A 64 8.942 5.145 -8.701 1.00 0.00 O ATOM 0 H TYR A 64 3.879 7.480 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 64 3.318 7.101 -4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.181 5.607 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.031 4.952 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.576 4.807 -7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.411 6.314 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.405 4.528 -9.100 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.243 6.036 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 64 9.793 5.432 -8.309 1.00 0.00 H new ATOM 1054 N GLN A 65 5.603 8.387 -3.534 1.00 0.00 N ATOM 1055 CA GLN A 65 6.726 9.270 -3.234 1.00 0.00 C ATOM 1056 C GLN A 65 7.313 8.852 -1.878 1.00 0.00 C ATOM 1057 O GLN A 65 6.631 8.214 -1.080 1.00 0.00 O ATOM 1058 CB GLN A 65 6.281 10.747 -3.253 1.00 0.00 C ATOM 1059 CG GLN A 65 5.070 11.102 -2.389 1.00 0.00 C ATOM 1060 CD GLN A 65 4.454 12.454 -2.734 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.088 13.315 -3.344 1.00 0.00 O ATOM 1062 NE2 GLN A 65 3.213 12.677 -2.343 1.00 0.00 N ATOM 0 H GLN A 65 5.313 7.839 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 65 7.500 9.178 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.122 11.362 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.059 11.024 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.312 10.327 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.369 11.104 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.700 11.954 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.767 13.572 -2.546 1.00 0.00 H new ATOM 1071 N GLU A 66 8.570 9.185 -1.615 1.00 0.00 N ATOM 1072 CA GLU A 66 9.342 8.839 -0.420 1.00 0.00 C ATOM 1073 C GLU A 66 9.000 9.757 0.761 1.00 0.00 C ATOM 1074 O GLU A 66 8.765 10.946 0.524 1.00 0.00 O ATOM 1075 CB GLU A 66 10.813 8.988 -0.815 1.00 0.00 C ATOM 1076 CG GLU A 66 11.690 7.901 -0.207 1.00 0.00 C ATOM 1077 CD GLU A 66 13.056 7.911 -0.885 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.173 7.348 -1.999 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.977 8.589 -0.381 1.00 0.00 O ATOM 0 H GLU A 66 9.117 9.741 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 66 9.113 7.826 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.900 8.956 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.175 9.965 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.803 8.067 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.218 6.926 -0.331 1.00 0.00 H new ATOM 1086 N VAL A 67 8.965 9.253 2.007 1.00 0.00 N ATOM 1087 CA VAL A 67 8.658 10.056 3.200 1.00 0.00 C ATOM 1088 C VAL A 67 9.515 9.624 4.386 1.00 0.00 C ATOM 1089 O VAL A 67 9.938 10.494 5.178 1.00 0.00 O ATOM 1090 CB VAL A 67 7.148 10.079 3.532 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.293 10.540 2.353 1.00 0.00 C ATOM 1092 CG2 VAL A 67 6.565 8.734 3.962 1.00 0.00 C ATOM 0 H VAL A 67 9.150 8.272 2.214 1.00 0.00 H new ATOM 0 HA VAL A 67 8.919 11.089 2.971 1.00 0.00 H new ATOM 0 HB VAL A 67 7.106 10.780 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.242 10.537 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.587 11.549 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.439 9.864 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.502 8.849 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.699 8.007 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.078 8.385 4.858 1.00 0.00 H new