USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 ASN : amide:sc=0.000801 K(o=-0.21,f=-1.7) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 160:sc= -0.211 (180deg=-0.813) USER MOD Single : A 1 TYR N :NH3+ -158:sc= 1.15 (180deg=-0.0779) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.038) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -96:sc= 0.13 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -4.48 USER MOD Single : A 18 ASN : amide:sc= -0.655 K(o=-0.65,f=-3.8!) USER MOD Single : A 19 CYS SG : rot 180:sc= 0.147 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -17:sc= 0.342 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 26 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.9!) USER MOD Single : A 29 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= -0.668 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.33) USER MOD Single : A 35 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.24) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.32 K(o=-1.3,f=-10!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -2.12! K(o=-2.1!,f=-0.8) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 14.315 21.714 -0.132 1.00 0.00 N ATOM 2 CA TYR A 1 15.355 20.658 -0.012 1.00 0.00 C ATOM 3 C TYR A 1 14.861 19.492 0.837 1.00 0.00 C ATOM 4 O TYR A 1 15.557 19.033 1.743 1.00 0.00 O ATOM 5 CB TYR A 1 16.607 21.274 0.615 1.00 0.00 C ATOM 6 CG TYR A 1 16.321 22.138 1.823 1.00 0.00 C ATOM 7 CD1 TYR A 1 15.845 23.435 1.676 1.00 0.00 C ATOM 8 CD2 TYR A 1 16.530 21.657 3.109 1.00 0.00 C ATOM 9 CE1 TYR A 1 15.584 24.228 2.777 1.00 0.00 C ATOM 10 CE2 TYR A 1 16.271 22.444 4.216 1.00 0.00 C ATOM 11 CZ TYR A 1 15.798 23.728 4.044 1.00 0.00 C ATOM 12 OH TYR A 1 15.539 24.515 5.143 1.00 0.00 O ATOM 0 H1 TYR A 1 14.503 22.292 -0.976 1.00 0.00 H new ATOM 0 H2 TYR A 1 13.378 21.271 -0.218 1.00 0.00 H new ATOM 0 H3 TYR A 1 14.335 22.319 0.714 1.00 0.00 H new ATOM 0 HA TYR A 1 15.584 20.268 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 1 17.288 20.474 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 1 17.121 21.874 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 1 15.676 23.830 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 1 16.901 20.652 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 1 15.214 25.234 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 1 16.438 22.055 5.210 1.00 0.00 H new ATOM 0 HH TYR A 1 15.741 24.013 5.960 1.00 0.00 H new ATOM 24 N HIS A 2 13.657 19.016 0.537 1.00 0.00 N ATOM 25 CA HIS A 2 13.070 17.902 1.272 1.00 0.00 C ATOM 26 C HIS A 2 12.230 17.025 0.350 1.00 0.00 C ATOM 27 O HIS A 2 11.831 17.451 -0.734 1.00 0.00 O ATOM 28 CB HIS A 2 12.206 18.423 2.423 1.00 0.00 C ATOM 29 CG HIS A 2 12.904 18.419 3.747 1.00 0.00 C ATOM 30 ND1 HIS A 2 12.763 19.430 4.676 1.00 0.00 N ATOM 31 CD2 HIS A 2 13.748 17.517 4.302 1.00 0.00 C ATOM 32 CE1 HIS A 2 13.492 19.151 5.741 1.00 0.00 C ATOM 33 NE2 HIS A 2 14.098 17.996 5.540 1.00 0.00 N ATOM 0 H HIS A 2 13.069 19.385 -0.210 1.00 0.00 H new ATOM 0 HA HIS A 2 13.882 17.299 1.678 1.00 0.00 H new ATOM 0 HB2 HIS A 2 11.885 19.439 2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 2 11.305 17.813 2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.083 16.593 3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 2 13.578 19.764 6.626 1.00 0.00 H new ATOM 0 HE2 HIS A 2 14.725 17.534 6.198 1.00 0.00 H new ATOM 42 N ALA A 3 11.966 15.799 0.788 1.00 0.00 N ATOM 43 CA ALA A 3 11.167 14.863 0.004 1.00 0.00 C ATOM 44 C ALA A 3 9.834 14.580 0.688 1.00 0.00 C ATOM 45 O ALA A 3 9.660 14.871 1.871 1.00 0.00 O ATOM 46 CB ALA A 3 11.938 13.571 -0.219 1.00 0.00 C ATOM 0 H ALA A 3 12.293 15.430 1.681 1.00 0.00 H new ATOM 0 HA ALA A 3 10.959 15.317 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.331 12.881 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.862 13.787 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.175 13.118 0.744 1.00 0.00 H new ATOM 52 N ASP A 4 8.895 14.013 -0.063 1.00 0.00 N ATOM 53 CA ASP A 4 7.578 13.696 0.475 1.00 0.00 C ATOM 54 C ASP A 4 7.102 12.327 -0.005 1.00 0.00 C ATOM 55 O ASP A 4 5.986 12.191 -0.506 1.00 0.00 O ATOM 56 CB ASP A 4 6.567 14.770 0.068 1.00 0.00 C ATOM 57 CG ASP A 4 5.587 15.094 1.179 1.00 0.00 C ATOM 58 OD1 ASP A 4 6.019 15.178 2.347 1.00 0.00 O ATOM 59 OD2 ASP A 4 4.385 15.263 0.880 1.00 0.00 O ATOM 0 H ASP A 4 9.022 13.764 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 4 7.657 13.670 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.100 15.677 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.017 14.433 -0.811 1.00 0.00 H new ATOM 64 N PRO A 5 7.943 11.291 0.149 1.00 0.00 N ATOM 65 CA PRO A 5 7.596 9.926 -0.264 1.00 0.00 C ATOM 66 C PRO A 5 6.528 9.307 0.631 1.00 0.00 C ATOM 67 O PRO A 5 6.800 8.374 1.386 1.00 0.00 O ATOM 68 CB PRO A 5 8.917 9.167 -0.126 1.00 0.00 C ATOM 69 CG PRO A 5 9.678 9.920 0.911 1.00 0.00 C ATOM 70 CD PRO A 5 9.292 11.364 0.742 1.00 0.00 C ATOM 0 HA PRO A 5 7.177 9.897 -1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.750 8.133 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.458 9.138 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.431 9.565 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.752 9.785 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.284 11.892 1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.989 11.893 0.091 1.00 0.00 H new ATOM 78 N SER A 6 5.312 9.836 0.541 1.00 0.00 N ATOM 79 CA SER A 6 4.202 9.346 1.350 1.00 0.00 C ATOM 80 C SER A 6 3.600 8.068 0.765 1.00 0.00 C ATOM 81 O SER A 6 2.846 7.367 1.440 1.00 0.00 O ATOM 82 CB SER A 6 3.121 10.423 1.465 1.00 0.00 C ATOM 83 OG SER A 6 3.685 11.679 1.802 1.00 0.00 O ATOM 0 H SER A 6 5.070 10.605 -0.085 1.00 0.00 H new ATOM 0 HA SER A 6 4.591 9.112 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.583 10.504 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.393 10.133 2.223 1.00 0.00 H new ATOM 0 HG SER A 6 2.974 12.350 1.868 1.00 0.00 H new ATOM 89 N LEU A 7 3.930 7.769 -0.489 1.00 0.00 N ATOM 90 CA LEU A 7 3.407 6.577 -1.150 1.00 0.00 C ATOM 91 C LEU A 7 4.339 5.387 -0.955 1.00 0.00 C ATOM 92 O LEU A 7 3.914 4.322 -0.508 1.00 0.00 O ATOM 93 CB LEU A 7 3.209 6.845 -2.645 1.00 0.00 C ATOM 94 CG LEU A 7 2.860 5.615 -3.491 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.113 4.813 -3.808 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.832 4.746 -2.780 1.00 0.00 C ATOM 0 H LEU A 7 4.554 8.333 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 7 2.445 6.336 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.416 7.583 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.121 7.291 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 7 2.424 5.958 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.846 3.944 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.814 5.437 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.578 4.483 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.599 3.879 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.236 4.412 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.924 5.324 -2.608 1.00 0.00 H new ATOM 108 N VAL A 8 5.608 5.567 -1.303 1.00 0.00 N ATOM 109 CA VAL A 8 6.596 4.501 -1.174 1.00 0.00 C ATOM 110 C VAL A 8 6.675 3.989 0.260 1.00 0.00 C ATOM 111 O VAL A 8 6.491 2.799 0.517 1.00 0.00 O ATOM 112 CB VAL A 8 7.994 4.973 -1.614 1.00 0.00 C ATOM 113 CG1 VAL A 8 8.981 3.816 -1.584 1.00 0.00 C ATOM 114 CG2 VAL A 8 7.938 5.600 -2.998 1.00 0.00 C ATOM 0 H VAL A 8 5.978 6.441 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 8 6.270 3.692 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 8 8.337 5.733 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.964 4.168 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.044 3.418 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.643 3.032 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.936 5.927 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.572 4.866 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.266 6.458 -2.982 1.00 0.00 H new ATOM 124 N SER A 9 6.954 4.895 1.192 1.00 0.00 N ATOM 125 CA SER A 9 7.074 4.535 2.600 1.00 0.00 C ATOM 126 C SER A 9 5.816 3.835 3.109 1.00 0.00 C ATOM 127 O SER A 9 5.857 3.123 4.112 1.00 0.00 O ATOM 128 CB SER A 9 7.350 5.783 3.442 1.00 0.00 C ATOM 129 OG SER A 9 6.149 6.477 3.732 1.00 0.00 O ATOM 0 H SER A 9 7.101 5.885 0.997 1.00 0.00 H new ATOM 0 HA SER A 9 7.909 3.841 2.694 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.842 5.497 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.035 6.442 2.908 1.00 0.00 H new ATOM 0 HG SER A 9 6.025 7.202 3.084 1.00 0.00 H new ATOM 135 N PHE A 10 4.699 4.046 2.421 1.00 0.00 N ATOM 136 CA PHE A 10 3.433 3.440 2.820 1.00 0.00 C ATOM 137 C PHE A 10 3.263 2.058 2.197 1.00 0.00 C ATOM 138 O PHE A 10 3.021 1.076 2.899 1.00 0.00 O ATOM 139 CB PHE A 10 2.263 4.340 2.417 1.00 0.00 C ATOM 140 CG PHE A 10 1.042 4.164 3.276 1.00 0.00 C ATOM 141 CD1 PHE A 10 0.927 4.833 4.485 1.00 0.00 C ATOM 142 CD2 PHE A 10 0.007 3.337 2.871 1.00 0.00 C ATOM 143 CE1 PHE A 10 -0.197 4.675 5.276 1.00 0.00 C ATOM 144 CE2 PHE A 10 -1.119 3.175 3.657 1.00 0.00 C ATOM 145 CZ PHE A 10 -1.220 3.845 4.861 1.00 0.00 C ATOM 0 H PHE A 10 4.644 4.630 1.587 1.00 0.00 H new ATOM 0 HA PHE A 10 3.443 3.328 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.583 5.381 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.999 4.135 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.724 5.485 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.081 2.812 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.274 5.200 6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.918 2.526 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.098 3.720 5.477 1.00 0.00 H new ATOM 155 N LEU A 11 3.390 1.987 0.876 1.00 0.00 N ATOM 156 CA LEU A 11 3.253 0.725 0.159 1.00 0.00 C ATOM 157 C LEU A 11 4.079 -0.371 0.816 1.00 0.00 C ATOM 158 O LEU A 11 3.574 -1.454 1.114 1.00 0.00 O ATOM 159 CB LEU A 11 3.693 0.896 -1.295 1.00 0.00 C ATOM 160 CG LEU A 11 3.197 -0.188 -2.253 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.986 -1.475 -2.057 1.00 0.00 C ATOM 162 CD2 LEU A 11 1.711 -0.438 -2.051 1.00 0.00 C ATOM 0 H LEU A 11 3.588 2.790 0.280 1.00 0.00 H new ATOM 0 HA LEU A 11 2.203 0.433 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.343 1.864 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.782 0.919 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 11 3.352 0.158 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.619 -2.235 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.042 -1.288 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.862 -1.825 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.375 -1.212 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.533 -0.763 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.158 0.482 -2.241 1.00 0.00 H new ATOM 174 N THR A 12 5.352 -0.080 1.032 1.00 0.00 N ATOM 175 CA THR A 12 6.260 -1.030 1.656 1.00 0.00 C ATOM 176 C THR A 12 5.942 -1.185 3.139 1.00 0.00 C ATOM 177 O THR A 12 5.864 -2.301 3.654 1.00 0.00 O ATOM 178 CB THR A 12 7.708 -0.571 1.477 1.00 0.00 C ATOM 179 OG1 THR A 12 8.070 -0.586 0.108 1.00 0.00 O ATOM 180 CG2 THR A 12 8.707 -1.423 2.228 1.00 0.00 C ATOM 0 H THR A 12 5.782 0.811 0.783 1.00 0.00 H new ATOM 0 HA THR A 12 6.130 -1.998 1.171 1.00 0.00 H new ATOM 0 HB THR A 12 7.743 0.439 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.999 -0.288 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.713 -1.041 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.484 -1.391 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.645 -2.453 1.875 1.00 0.00 H new ATOM 188 N GLY A 13 5.757 -0.055 3.817 1.00 0.00 N ATOM 189 CA GLY A 13 5.452 -0.080 5.236 1.00 0.00 C ATOM 190 C GLY A 13 4.297 -1.005 5.561 1.00 0.00 C ATOM 191 O GLY A 13 4.266 -1.624 6.625 1.00 0.00 O ATOM 0 H GLY A 13 5.813 0.878 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.336 -0.398 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.212 0.929 5.571 1.00 0.00 H new ATOM 195 N LEU A 14 3.347 -1.096 4.641 1.00 0.00 N ATOM 196 CA LEU A 14 2.187 -1.953 4.813 1.00 0.00 C ATOM 197 C LEU A 14 2.583 -3.426 4.868 1.00 0.00 C ATOM 198 O LEU A 14 1.777 -4.280 5.240 1.00 0.00 O ATOM 199 CB LEU A 14 1.221 -1.724 3.654 1.00 0.00 C ATOM 200 CG LEU A 14 -0.234 -1.489 4.051 1.00 0.00 C ATOM 201 CD1 LEU A 14 -0.321 -0.484 5.189 1.00 0.00 C ATOM 202 CD2 LEU A 14 -1.031 -1.005 2.851 1.00 0.00 C ATOM 0 H LEU A 14 3.360 -0.581 3.761 1.00 0.00 H new ATOM 0 HA LEU A 14 1.709 -1.700 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.567 -0.864 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.264 -2.588 2.991 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.659 -2.432 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.366 -0.329 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.224 -0.864 6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.116 0.463 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.068 -0.840 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.605 -0.071 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.993 -1.756 2.062 1.00 0.00 H new ATOM 214 N GLY A 15 3.822 -3.723 4.484 1.00 0.00 N ATOM 215 CA GLY A 15 4.284 -5.095 4.477 1.00 0.00 C ATOM 216 C GLY A 15 4.661 -5.569 3.085 1.00 0.00 C ATOM 217 O GLY A 15 4.845 -6.765 2.862 1.00 0.00 O ATOM 0 H GLY A 15 4.512 -3.036 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.147 -5.189 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.504 -5.741 4.879 1.00 0.00 H new ATOM 221 N CYS A 16 4.795 -4.629 2.149 1.00 0.00 N ATOM 222 CA CYS A 16 5.155 -4.969 0.777 1.00 0.00 C ATOM 223 C CYS A 16 6.551 -4.455 0.426 1.00 0.00 C ATOM 224 O CYS A 16 6.712 -3.655 -0.495 1.00 0.00 O ATOM 225 CB CYS A 16 4.129 -4.388 -0.198 1.00 0.00 C ATOM 226 SG CYS A 16 2.721 -5.474 -0.522 1.00 0.00 S ATOM 0 H CYS A 16 4.660 -3.632 2.317 1.00 0.00 H new ATOM 0 HA CYS A 16 5.160 -6.056 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.761 -3.442 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.627 -4.165 -1.142 1.00 0.00 H new ATOM 0 HG CYS A 16 1.909 -4.894 -1.355 1.00 0.00 H new ATOM 232 N PRO A 17 7.584 -4.923 1.148 1.00 0.00 N ATOM 233 CA PRO A 17 8.973 -4.507 0.907 1.00 0.00 C ATOM 234 C PRO A 17 9.524 -5.047 -0.407 1.00 0.00 C ATOM 235 O PRO A 17 10.385 -4.425 -1.031 1.00 0.00 O ATOM 236 CB PRO A 17 9.733 -5.107 2.091 1.00 0.00 C ATOM 237 CG PRO A 17 8.911 -6.277 2.508 1.00 0.00 C ATOM 238 CD PRO A 17 7.483 -5.878 2.267 1.00 0.00 C ATOM 0 HA PRO A 17 9.064 -3.424 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.739 -5.411 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.837 -4.386 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.172 -7.164 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.078 -6.519 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.863 -6.737 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.039 -5.418 3.150 1.00 0.00 H new ATOM 246 N ASN A 18 9.039 -6.214 -0.815 1.00 0.00 N ATOM 247 CA ASN A 18 9.479 -6.829 -2.061 1.00 0.00 C ATOM 248 C ASN A 18 8.291 -7.116 -2.972 1.00 0.00 C ATOM 249 O ASN A 18 8.381 -7.941 -3.882 1.00 0.00 O ATOM 250 CB ASN A 18 10.241 -8.123 -1.774 1.00 0.00 C ATOM 251 CG ASN A 18 11.260 -7.960 -0.664 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.903 -7.818 0.506 1.00 0.00 O ATOM 253 ND2 ASN A 18 12.537 -7.975 -1.027 1.00 0.00 N ATOM 0 H ASN A 18 8.342 -6.753 -0.301 1.00 0.00 H new ATOM 0 HA ASN A 18 10.144 -6.130 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.533 -8.905 -1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.746 -8.453 -2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.268 -7.866 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.787 -8.095 -2.009 1.00 0.00 H new ATOM 260 N CYS A 19 7.176 -6.436 -2.720 1.00 0.00 N ATOM 261 CA CYS A 19 5.976 -6.617 -3.523 1.00 0.00 C ATOM 262 C CYS A 19 5.714 -5.388 -4.382 1.00 0.00 C ATOM 263 O CYS A 19 5.112 -5.481 -5.452 1.00 0.00 O ATOM 264 CB CYS A 19 4.772 -6.895 -2.622 1.00 0.00 C ATOM 265 SG CYS A 19 4.558 -8.639 -2.194 1.00 0.00 S ATOM 0 H CYS A 19 7.081 -5.756 -1.966 1.00 0.00 H new ATOM 0 HA CYS A 19 6.130 -7.472 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.877 -6.317 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.869 -6.541 -3.120 1.00 0.00 H new ATOM 0 HG CYS A 19 3.516 -8.773 -1.428 1.00 0.00 H new ATOM 271 N ILE A 20 6.177 -4.237 -3.910 1.00 0.00 N ATOM 272 CA ILE A 20 6.007 -2.991 -4.644 1.00 0.00 C ATOM 273 C ILE A 20 6.501 -3.139 -6.079 1.00 0.00 C ATOM 274 O ILE A 20 5.973 -2.512 -6.996 1.00 0.00 O ATOM 275 CB ILE A 20 6.758 -1.833 -3.965 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.581 -0.538 -4.764 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.230 -2.178 -3.821 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.900 0.712 -3.973 1.00 0.00 C ATOM 0 H ILE A 20 6.672 -4.141 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 20 4.941 -2.762 -4.649 1.00 0.00 H new ATOM 0 HB ILE A 20 6.339 -1.679 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.223 -0.574 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.553 -0.479 -5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.752 -1.351 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.335 -3.077 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.661 -2.354 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.752 1.589 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.241 0.772 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.937 0.676 -3.638 1.00 0.00 H new ATOM 290 N GLU A 21 7.515 -3.979 -6.266 1.00 0.00 N ATOM 291 CA GLU A 21 8.068 -4.220 -7.592 1.00 0.00 C ATOM 292 C GLU A 21 6.996 -4.775 -8.523 1.00 0.00 C ATOM 293 O GLU A 21 6.863 -4.337 -9.666 1.00 0.00 O ATOM 294 CB GLU A 21 9.245 -5.192 -7.509 1.00 0.00 C ATOM 295 CG GLU A 21 8.884 -6.540 -6.909 1.00 0.00 C ATOM 296 CD GLU A 21 10.090 -7.272 -6.355 1.00 0.00 C ATOM 297 OE1 GLU A 21 10.961 -6.610 -5.753 1.00 0.00 O ATOM 298 OE2 GLU A 21 10.166 -8.507 -6.525 1.00 0.00 O ATOM 0 H GLU A 21 7.968 -4.502 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 21 8.424 -3.271 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.648 -5.346 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.037 -4.739 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.154 -6.396 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.407 -7.157 -7.671 1.00 0.00 H new ATOM 305 N TYR A 22 6.224 -5.732 -8.019 1.00 0.00 N ATOM 306 CA TYR A 22 5.144 -6.327 -8.794 1.00 0.00 C ATOM 307 C TYR A 22 3.995 -5.338 -8.942 1.00 0.00 C ATOM 308 O TYR A 22 3.280 -5.341 -9.945 1.00 0.00 O ATOM 309 CB TYR A 22 4.646 -7.608 -8.122 1.00 0.00 C ATOM 310 CG TYR A 22 5.724 -8.648 -7.928 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.617 -8.559 -6.869 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.850 -9.717 -8.806 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.606 -9.506 -6.688 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.836 -10.669 -8.631 1.00 0.00 C ATOM 315 CZ TYR A 22 7.711 -10.559 -7.571 1.00 0.00 C ATOM 316 OH TYR A 22 8.694 -11.506 -7.395 1.00 0.00 O ATOM 0 H TYR A 22 6.327 -6.111 -7.078 1.00 0.00 H new ATOM 0 HA TYR A 22 5.527 -6.577 -9.784 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.217 -7.356 -7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.844 -8.036 -8.724 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.537 -7.735 -6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.167 -9.805 -9.638 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.293 -9.422 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.921 -11.495 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 22 8.629 -12.180 -8.103 1.00 0.00 H new ATOM 326 N PHE A 23 3.832 -4.485 -7.936 1.00 0.00 N ATOM 327 CA PHE A 23 2.780 -3.478 -7.947 1.00 0.00 C ATOM 328 C PHE A 23 3.124 -2.347 -8.912 1.00 0.00 C ATOM 329 O PHE A 23 2.325 -1.996 -9.781 1.00 0.00 O ATOM 330 CB PHE A 23 2.568 -2.919 -6.539 1.00 0.00 C ATOM 331 CG PHE A 23 1.285 -3.371 -5.901 1.00 0.00 C ATOM 332 CD1 PHE A 23 0.062 -3.012 -6.445 1.00 0.00 C ATOM 333 CD2 PHE A 23 1.302 -4.153 -4.758 1.00 0.00 C ATOM 334 CE1 PHE A 23 -1.120 -3.422 -5.859 1.00 0.00 C ATOM 335 CE2 PHE A 23 0.123 -4.570 -4.168 1.00 0.00 C ATOM 336 CZ PHE A 23 -1.089 -4.204 -4.720 1.00 0.00 C ATOM 0 H PHE A 23 4.418 -4.472 -7.101 1.00 0.00 H new ATOM 0 HA PHE A 23 1.858 -3.951 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.404 -3.220 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.578 -1.830 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.033 -2.405 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.247 -4.441 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.067 -3.132 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.150 -5.181 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.012 -4.529 -4.262 1.00 0.00 H new ATOM 346 N THR A 24 4.322 -1.788 -8.763 1.00 0.00 N ATOM 347 CA THR A 24 4.770 -0.700 -9.628 1.00 0.00 C ATOM 348 C THR A 24 4.555 -1.045 -11.100 1.00 0.00 C ATOM 349 O THR A 24 4.257 -0.173 -11.915 1.00 0.00 O ATOM 350 CB THR A 24 6.248 -0.394 -9.378 1.00 0.00 C ATOM 351 OG1 THR A 24 7.039 -1.554 -9.567 1.00 0.00 O ATOM 352 CG2 THR A 24 6.523 0.130 -7.987 1.00 0.00 C ATOM 0 H THR A 24 4.999 -2.069 -8.053 1.00 0.00 H new ATOM 0 HA THR A 24 4.176 0.183 -9.390 1.00 0.00 H new ATOM 0 HB THR A 24 6.509 0.382 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.464 -2.348 -9.553 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.589 0.326 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.966 1.053 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.213 -0.612 -7.251 1.00 0.00 H new ATOM 360 N SER A 25 4.704 -2.325 -11.432 1.00 0.00 N ATOM 361 CA SER A 25 4.527 -2.784 -12.805 1.00 0.00 C ATOM 362 C SER A 25 3.197 -2.301 -13.376 1.00 0.00 C ATOM 363 O SER A 25 3.039 -2.181 -14.592 1.00 0.00 O ATOM 364 CB SER A 25 4.596 -4.312 -12.868 1.00 0.00 C ATOM 365 OG SER A 25 5.581 -4.816 -11.983 1.00 0.00 O ATOM 0 H SER A 25 4.947 -3.061 -10.769 1.00 0.00 H new ATOM 0 HA SER A 25 5.333 -2.364 -13.407 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.624 -4.734 -12.613 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.823 -4.627 -13.887 1.00 0.00 H new ATOM 0 HG SER A 25 5.604 -5.794 -12.041 1.00 0.00 H new ATOM 371 N GLN A 26 2.243 -2.022 -12.493 1.00 0.00 N ATOM 372 CA GLN A 26 0.927 -1.553 -12.910 1.00 0.00 C ATOM 373 C GLN A 26 0.817 -0.039 -12.764 1.00 0.00 C ATOM 374 O GLN A 26 0.289 0.644 -13.641 1.00 0.00 O ATOM 375 CB GLN A 26 -0.166 -2.233 -12.083 1.00 0.00 C ATOM 376 CG GLN A 26 0.155 -3.672 -11.721 1.00 0.00 C ATOM 377 CD GLN A 26 0.476 -4.519 -12.936 1.00 0.00 C ATOM 378 OE1 GLN A 26 0.544 -4.017 -14.058 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.674 -5.813 -12.718 1.00 0.00 N ATOM 0 H GLN A 26 2.357 -2.113 -11.484 1.00 0.00 H new ATOM 0 HA GLN A 26 0.795 -1.811 -13.961 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.325 -1.663 -11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.102 -2.207 -12.641 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.002 -3.690 -11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.693 -4.108 -11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.608 -6.187 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.892 -6.434 -13.497 1.00 0.00 H new ATOM 388 N GLY A 27 1.315 0.475 -11.645 1.00 0.00 N ATOM 389 CA GLY A 27 1.257 1.902 -11.390 1.00 0.00 C ATOM 390 C GLY A 27 0.998 2.211 -9.931 1.00 0.00 C ATOM 391 O GLY A 27 0.181 3.073 -9.607 1.00 0.00 O ATOM 0 H GLY A 27 1.759 -0.073 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.196 2.363 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.470 2.347 -11.999 1.00 0.00 H new ATOM 395 N LEU A 28 1.716 1.524 -9.049 1.00 0.00 N ATOM 396 CA LEU A 28 1.550 1.714 -7.619 1.00 0.00 C ATOM 397 C LEU A 28 2.627 2.636 -7.062 1.00 0.00 C ATOM 398 O LEU A 28 3.144 2.414 -5.968 1.00 0.00 O ATOM 399 CB LEU A 28 1.602 0.367 -6.907 1.00 0.00 C ATOM 400 CG LEU A 28 0.487 0.133 -5.892 1.00 0.00 C ATOM 401 CD1 LEU A 28 0.578 1.145 -4.761 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.875 0.202 -6.567 1.00 0.00 C ATOM 0 H LEU A 28 2.419 0.830 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 28 0.579 2.178 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.564 -0.425 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.562 0.279 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 28 0.608 -0.865 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.224 0.964 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.541 1.045 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.483 2.153 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.657 0.033 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.009 1.186 -7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.937 -0.563 -7.341 1.00 0.00 H new ATOM 414 N GLN A 29 2.948 3.678 -7.818 1.00 0.00 N ATOM 415 CA GLN A 29 3.937 4.658 -7.390 1.00 0.00 C ATOM 416 C GLN A 29 3.242 5.892 -6.822 1.00 0.00 C ATOM 417 O GLN A 29 3.805 6.610 -5.996 1.00 0.00 O ATOM 418 CB GLN A 29 4.840 5.052 -8.559 1.00 0.00 C ATOM 419 CG GLN A 29 4.085 5.276 -9.858 1.00 0.00 C ATOM 420 CD GLN A 29 4.947 5.908 -10.932 1.00 0.00 C ATOM 421 OE1 GLN A 29 5.934 6.583 -10.636 1.00 0.00 O ATOM 422 NE2 GLN A 29 4.578 5.694 -12.189 1.00 0.00 N ATOM 0 H GLN A 29 2.537 3.866 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 29 4.554 4.211 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.380 5.963 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.586 4.272 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.701 4.322 -10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.223 5.915 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.753 5.128 -12.389 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.119 6.095 -12.955 1.00 0.00 H new ATOM 431 N SER A 30 2.005 6.117 -7.258 1.00 0.00 N ATOM 432 CA SER A 30 1.215 7.240 -6.776 1.00 0.00 C ATOM 433 C SER A 30 0.052 6.741 -5.929 1.00 0.00 C ATOM 434 O SER A 30 -0.902 6.163 -6.449 1.00 0.00 O ATOM 435 CB SER A 30 0.689 8.065 -7.952 1.00 0.00 C ATOM 436 OG SER A 30 -0.324 8.963 -7.533 1.00 0.00 O ATOM 0 H SER A 30 1.530 5.533 -7.946 1.00 0.00 H new ATOM 0 HA SER A 30 1.854 7.874 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.509 8.623 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.294 7.399 -8.720 1.00 0.00 H new ATOM 0 HG SER A 30 -0.642 9.479 -8.303 1.00 0.00 H new ATOM 442 N ILE A 31 0.136 6.958 -4.618 1.00 0.00 N ATOM 443 CA ILE A 31 -0.911 6.510 -3.705 1.00 0.00 C ATOM 444 C ILE A 31 -2.295 6.907 -4.220 1.00 0.00 C ATOM 445 O ILE A 31 -3.295 6.257 -3.920 1.00 0.00 O ATOM 446 CB ILE A 31 -0.700 7.059 -2.276 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.519 6.242 -1.274 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.068 8.532 -2.192 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.673 5.493 -0.268 1.00 0.00 C ATOM 0 H ILE A 31 0.914 7.439 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.851 5.423 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 31 0.357 6.967 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.196 6.909 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.137 5.529 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.909 8.889 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.443 9.103 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.116 8.661 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.321 4.937 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.014 4.800 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.074 6.202 0.303 1.00 0.00 H new ATOM 461 N TYR A 32 -2.341 7.978 -5.001 1.00 0.00 N ATOM 462 CA TYR A 32 -3.594 8.438 -5.580 1.00 0.00 C ATOM 463 C TYR A 32 -4.211 7.351 -6.455 1.00 0.00 C ATOM 464 O TYR A 32 -5.417 7.352 -6.703 1.00 0.00 O ATOM 465 CB TYR A 32 -3.363 9.708 -6.402 1.00 0.00 C ATOM 466 CG TYR A 32 -3.182 10.949 -5.558 1.00 0.00 C ATOM 467 CD1 TYR A 32 -4.153 11.339 -4.645 1.00 0.00 C ATOM 468 CD2 TYR A 32 -2.038 11.730 -5.673 1.00 0.00 C ATOM 469 CE1 TYR A 32 -3.991 12.473 -3.872 1.00 0.00 C ATOM 470 CE2 TYR A 32 -1.869 12.865 -4.904 1.00 0.00 C ATOM 471 CZ TYR A 32 -2.848 13.232 -4.005 1.00 0.00 C ATOM 472 OH TYR A 32 -2.683 14.361 -3.236 1.00 0.00 O ATOM 0 H TYR A 32 -1.528 8.542 -5.247 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.286 8.664 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.480 9.571 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.209 9.855 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.049 10.746 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.269 11.445 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.756 12.763 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.975 13.462 -5.006 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.824 14.781 -3.451 1.00 0.00 H new ATOM 482 N HIS A 33 -3.380 6.415 -6.913 1.00 0.00 N ATOM 483 CA HIS A 33 -3.852 5.320 -7.752 1.00 0.00 C ATOM 484 C HIS A 33 -4.397 4.170 -6.907 1.00 0.00 C ATOM 485 O HIS A 33 -5.140 3.325 -7.404 1.00 0.00 O ATOM 486 CB HIS A 33 -2.719 4.815 -8.647 1.00 0.00 C ATOM 487 CG HIS A 33 -3.180 4.355 -9.995 1.00 0.00 C ATOM 488 ND1 HIS A 33 -4.502 4.092 -10.289 1.00 0.00 N ATOM 489 CD2 HIS A 33 -2.487 4.113 -11.133 1.00 0.00 C ATOM 490 CE1 HIS A 33 -4.602 3.707 -11.549 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.394 3.712 -12.082 1.00 0.00 N ATOM 0 H HIS A 33 -2.379 6.395 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.662 5.700 -8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.986 5.611 -8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.211 3.992 -8.146 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.421 4.216 -11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.516 3.435 -12.056 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.171 3.459 -13.044 1.00 0.00 H new ATOM 500 N LEU A 34 -4.021 4.139 -5.630 1.00 0.00 N ATOM 501 CA LEU A 34 -4.480 3.092 -4.726 1.00 0.00 C ATOM 502 C LEU A 34 -5.430 3.642 -3.664 1.00 0.00 C ATOM 503 O LEU A 34 -5.752 2.957 -2.694 1.00 0.00 O ATOM 504 CB LEU A 34 -3.286 2.422 -4.050 1.00 0.00 C ATOM 505 CG LEU A 34 -2.089 3.336 -3.779 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.266 2.805 -2.616 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.229 3.470 -5.027 1.00 0.00 C ATOM 0 H LEU A 34 -3.401 4.826 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.025 2.358 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.618 1.996 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.954 1.592 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.462 4.324 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.419 3.467 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.887 2.761 -1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.901 1.806 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.382 4.123 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.864 2.487 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.824 3.896 -5.835 1.00 0.00 H new ATOM 519 N GLN A 35 -5.881 4.877 -3.853 1.00 0.00 N ATOM 520 CA GLN A 35 -6.789 5.510 -2.906 1.00 0.00 C ATOM 521 C GLN A 35 -8.103 4.742 -2.800 1.00 0.00 C ATOM 522 O GLN A 35 -8.825 4.866 -1.810 1.00 0.00 O ATOM 523 CB GLN A 35 -7.065 6.955 -3.325 1.00 0.00 C ATOM 524 CG GLN A 35 -7.806 7.758 -2.270 1.00 0.00 C ATOM 525 CD GLN A 35 -6.944 8.819 -1.632 1.00 0.00 C ATOM 526 OE1 GLN A 35 -6.234 9.558 -2.313 1.00 0.00 O ATOM 527 NE2 GLN A 35 -7.009 8.899 -0.313 1.00 0.00 N ATOM 0 H GLN A 35 -5.632 5.459 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.310 5.502 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.119 7.448 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.648 6.953 -4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.678 8.229 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.174 7.083 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.613 8.263 0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.455 9.597 0.184 1.00 0.00 H new ATOM 536 N ASN A 36 -8.414 3.951 -3.823 1.00 0.00 N ATOM 537 CA ASN A 36 -9.650 3.178 -3.838 1.00 0.00 C ATOM 538 C ASN A 36 -9.398 1.727 -4.234 1.00 0.00 C ATOM 539 O ASN A 36 -10.312 1.027 -4.670 1.00 0.00 O ATOM 540 CB ASN A 36 -10.654 3.809 -4.805 1.00 0.00 C ATOM 541 CG ASN A 36 -11.545 4.829 -4.129 1.00 0.00 C ATOM 542 OD1 ASN A 36 -12.453 4.477 -3.376 1.00 0.00 O ATOM 543 ND2 ASN A 36 -11.287 6.103 -4.395 1.00 0.00 N ATOM 0 H ASN A 36 -7.829 3.829 -4.649 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.059 3.188 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.115 4.287 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.272 3.026 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.852 6.838 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.524 6.348 -5.026 1.00 0.00 H new ATOM 550 N LEU A 37 -8.158 1.273 -4.076 1.00 0.00 N ATOM 551 CA LEU A 37 -7.807 -0.100 -4.411 1.00 0.00 C ATOM 552 C LEU A 37 -8.271 -1.056 -3.318 1.00 0.00 C ATOM 553 O LEU A 37 -8.280 -0.705 -2.138 1.00 0.00 O ATOM 554 CB LEU A 37 -6.296 -0.229 -4.617 1.00 0.00 C ATOM 555 CG LEU A 37 -5.874 -0.765 -5.985 1.00 0.00 C ATOM 556 CD1 LEU A 37 -4.359 -0.843 -6.081 1.00 0.00 C ATOM 557 CD2 LEU A 37 -6.499 -2.129 -6.239 1.00 0.00 C ATOM 0 H LEU A 37 -7.384 1.834 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.312 -0.365 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.840 0.750 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.894 -0.887 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.231 -0.077 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.076 -1.227 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.934 0.151 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.979 -1.510 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.188 -2.495 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.172 -2.828 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.585 -2.042 -6.213 1.00 0.00 H new ATOM 569 N THR A 38 -8.667 -2.261 -3.715 1.00 0.00 N ATOM 570 CA THR A 38 -9.150 -3.254 -2.763 1.00 0.00 C ATOM 571 C THR A 38 -8.425 -4.580 -2.922 1.00 0.00 C ATOM 572 O THR A 38 -7.685 -4.789 -3.883 1.00 0.00 O ATOM 573 CB THR A 38 -10.651 -3.482 -2.947 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.164 -2.646 -3.970 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.450 -3.221 -1.692 1.00 0.00 C ATOM 0 H THR A 38 -8.663 -2.573 -4.686 1.00 0.00 H new ATOM 0 HA THR A 38 -8.953 -2.866 -1.764 1.00 0.00 H new ATOM 0 HB THR A 38 -10.755 -4.534 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.125 -2.808 -4.074 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.507 -3.401 -1.890 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.111 -3.888 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.310 -2.186 -1.380 1.00 0.00 H new ATOM 583 N ILE A 39 -8.684 -5.492 -1.993 1.00 0.00 N ATOM 584 CA ILE A 39 -8.116 -6.825 -2.062 1.00 0.00 C ATOM 585 C ILE A 39 -8.543 -7.492 -3.358 1.00 0.00 C ATOM 586 O ILE A 39 -7.789 -8.255 -3.963 1.00 0.00 O ATOM 587 CB ILE A 39 -8.567 -7.689 -0.871 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.834 -9.031 -0.880 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.072 -7.899 -0.904 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.384 -8.931 -0.462 1.00 0.00 C ATOM 0 H ILE A 39 -9.284 -5.329 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.030 -6.733 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.316 -7.166 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.349 -9.722 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.886 -9.457 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.373 -8.512 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.575 -6.934 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.349 -8.402 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.928 -9.920 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.854 -8.266 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.324 -8.534 0.551 1.00 0.00 H new ATOM 602 N GLU A 40 -9.753 -7.161 -3.790 1.00 0.00 N ATOM 603 CA GLU A 40 -10.297 -7.691 -5.032 1.00 0.00 C ATOM 604 C GLU A 40 -9.377 -7.366 -6.203 1.00 0.00 C ATOM 605 O GLU A 40 -9.027 -8.242 -6.994 1.00 0.00 O ATOM 606 CB GLU A 40 -11.692 -7.117 -5.292 1.00 0.00 C ATOM 607 CG GLU A 40 -12.682 -7.392 -4.171 1.00 0.00 C ATOM 608 CD GLU A 40 -13.775 -8.359 -4.585 1.00 0.00 C ATOM 609 OE1 GLU A 40 -13.534 -9.169 -5.505 1.00 0.00 O ATOM 610 OE2 GLU A 40 -14.871 -8.305 -3.990 1.00 0.00 O ATOM 0 H GLU A 40 -10.378 -6.525 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.372 -8.774 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.611 -6.040 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.081 -7.536 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.149 -7.798 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.134 -6.453 -3.851 1.00 0.00 H new ATOM 617 N ASP A 41 -8.984 -6.100 -6.301 1.00 0.00 N ATOM 618 CA ASP A 41 -8.092 -5.654 -7.366 1.00 0.00 C ATOM 619 C ASP A 41 -6.630 -5.934 -7.019 1.00 0.00 C ATOM 620 O ASP A 41 -5.760 -5.884 -7.888 1.00 0.00 O ATOM 621 CB ASP A 41 -8.287 -4.159 -7.627 1.00 0.00 C ATOM 622 CG ASP A 41 -9.385 -3.886 -8.636 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.409 -4.601 -8.608 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.222 -2.956 -9.454 1.00 0.00 O ATOM 0 H ASP A 41 -9.269 -5.364 -5.655 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.342 -6.214 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.526 -3.658 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.352 -3.731 -7.988 1.00 0.00 H new ATOM 629 N LEU A 42 -6.362 -6.224 -5.747 1.00 0.00 N ATOM 630 CA LEU A 42 -5.007 -6.518 -5.304 1.00 0.00 C ATOM 631 C LEU A 42 -4.548 -7.858 -5.865 1.00 0.00 C ATOM 632 O LEU A 42 -3.529 -7.940 -6.553 1.00 0.00 O ATOM 633 CB LEU A 42 -4.935 -6.546 -3.768 1.00 0.00 C ATOM 634 CG LEU A 42 -5.036 -5.190 -3.029 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.855 -5.018 -2.088 1.00 0.00 C ATOM 636 CD2 LEU A 42 -5.123 -4.002 -3.985 1.00 0.00 C ATOM 0 H LEU A 42 -7.065 -6.261 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.348 -5.732 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.736 -7.189 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.994 -7.017 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.964 -5.207 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.936 -4.061 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.853 -5.825 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.927 -5.045 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.192 -3.078 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.232 -3.974 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.007 -4.105 -4.614 1.00 0.00 H new ATOM 648 N GLY A 43 -5.315 -8.905 -5.578 1.00 0.00 N ATOM 649 CA GLY A 43 -4.989 -10.225 -6.082 1.00 0.00 C ATOM 650 C GLY A 43 -5.022 -10.280 -7.596 1.00 0.00 C ATOM 651 O GLY A 43 -4.408 -11.156 -8.206 1.00 0.00 O ATOM 0 H GLY A 43 -6.157 -8.862 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.998 -10.512 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.694 -10.951 -5.678 1.00 0.00 H new ATOM 655 N ALA A 44 -5.741 -9.341 -8.205 1.00 0.00 N ATOM 656 CA ALA A 44 -5.831 -9.274 -9.659 1.00 0.00 C ATOM 657 C ALA A 44 -4.436 -9.216 -10.266 1.00 0.00 C ATOM 658 O ALA A 44 -4.194 -9.735 -11.356 1.00 0.00 O ATOM 659 CB ALA A 44 -6.653 -8.069 -10.089 1.00 0.00 C ATOM 0 H ALA A 44 -6.268 -8.618 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.332 -10.172 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.709 -8.036 -11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.659 -8.149 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.182 -7.157 -9.722 1.00 0.00 H new ATOM 665 N LEU A 45 -3.511 -8.624 -9.517 1.00 0.00 N ATOM 666 CA LEU A 45 -2.123 -8.517 -9.942 1.00 0.00 C ATOM 667 C LEU A 45 -1.400 -9.865 -9.880 1.00 0.00 C ATOM 668 O LEU A 45 -0.231 -9.961 -10.250 1.00 0.00 O ATOM 669 CB LEU A 45 -1.394 -7.517 -9.053 1.00 0.00 C ATOM 670 CG LEU A 45 -1.813 -6.061 -9.228 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.317 -5.901 -9.086 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.092 -5.194 -8.217 1.00 0.00 C ATOM 0 H LEU A 45 -3.702 -8.208 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.120 -8.180 -10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.550 -7.800 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.324 -7.596 -9.247 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.538 -5.743 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.585 -4.853 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.820 -6.501 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.627 -6.235 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.395 -4.155 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.345 -5.523 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.016 -5.279 -8.366 1.00 0.00 H new ATOM 684 N LYS A 46 -2.094 -10.891 -9.385 1.00 0.00 N ATOM 685 CA LYS A 46 -1.526 -12.230 -9.250 1.00 0.00 C ATOM 686 C LYS A 46 -0.174 -12.193 -8.548 1.00 0.00 C ATOM 687 O LYS A 46 0.702 -13.014 -8.816 1.00 0.00 O ATOM 688 CB LYS A 46 -1.406 -12.918 -10.616 1.00 0.00 C ATOM 689 CG LYS A 46 -0.455 -12.228 -11.578 1.00 0.00 C ATOM 690 CD LYS A 46 -0.216 -13.063 -12.825 1.00 0.00 C ATOM 691 CE LYS A 46 -1.501 -13.276 -13.608 1.00 0.00 C ATOM 692 NZ LYS A 46 -1.234 -13.540 -15.049 1.00 0.00 N ATOM 0 H LYS A 46 -3.061 -10.816 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.209 -12.813 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.072 -13.944 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.394 -12.969 -11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.864 -11.258 -11.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.495 -12.039 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.520 -12.569 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.203 -14.029 -12.543 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.052 -14.114 -13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.136 -12.395 -13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.135 -13.680 -15.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.731 -12.730 -15.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.650 -14.395 -15.143 1.00 0.00 H new ATOM 706 N ILE A 47 -0.030 -11.254 -7.618 1.00 0.00 N ATOM 707 CA ILE A 47 1.191 -11.134 -6.828 1.00 0.00 C ATOM 708 C ILE A 47 1.146 -12.100 -5.649 1.00 0.00 C ATOM 709 O ILE A 47 0.097 -12.272 -5.025 1.00 0.00 O ATOM 710 CB ILE A 47 1.374 -9.696 -6.301 1.00 0.00 C ATOM 711 CG1 ILE A 47 1.202 -8.691 -7.440 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.736 -9.530 -5.648 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.174 -7.251 -6.978 1.00 0.00 C ATOM 0 H ILE A 47 -0.746 -10.563 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 47 2.034 -11.378 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 47 0.610 -9.506 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.017 -8.819 -8.153 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.276 -8.911 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.843 -8.508 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.826 -10.224 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.518 -9.738 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.049 -6.595 -7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.342 -7.106 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.110 -7.013 -6.473 1.00 0.00 H new ATOM 725 N PRO A 48 2.274 -12.769 -5.339 1.00 0.00 N ATOM 726 CA PRO A 48 2.354 -13.730 -4.238 1.00 0.00 C ATOM 727 C PRO A 48 1.499 -13.332 -3.037 1.00 0.00 C ATOM 728 O PRO A 48 1.688 -12.265 -2.455 1.00 0.00 O ATOM 729 CB PRO A 48 3.837 -13.695 -3.887 1.00 0.00 C ATOM 730 CG PRO A 48 4.518 -13.461 -5.194 1.00 0.00 C ATOM 731 CD PRO A 48 3.569 -12.636 -6.036 1.00 0.00 C ATOM 0 HA PRO A 48 1.979 -14.715 -4.515 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.059 -12.900 -3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.160 -14.631 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.463 -12.937 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.749 -14.406 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.887 -11.595 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.513 -13.010 -7.058 1.00 0.00 H new ATOM 739 N GLU A 49 0.540 -14.189 -2.695 1.00 0.00 N ATOM 740 CA GLU A 49 -0.370 -13.923 -1.586 1.00 0.00 C ATOM 741 C GLU A 49 0.369 -13.908 -0.253 1.00 0.00 C ATOM 742 O GLU A 49 0.172 -14.786 0.588 1.00 0.00 O ATOM 743 CB GLU A 49 -1.486 -14.968 -1.552 1.00 0.00 C ATOM 744 CG GLU A 49 -2.756 -14.478 -0.875 1.00 0.00 C ATOM 745 CD GLU A 49 -3.724 -15.602 -0.565 1.00 0.00 C ATOM 746 OE1 GLU A 49 -4.040 -16.385 -1.486 1.00 0.00 O ATOM 747 OE2 GLU A 49 -4.168 -15.698 0.599 1.00 0.00 O ATOM 0 H GLU A 49 0.374 -15.075 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.807 -12.937 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.721 -15.270 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.126 -15.856 -1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.495 -13.964 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.247 -13.748 -1.518 1.00 0.00 H new ATOM 754 N GLN A 50 1.206 -12.898 -0.061 1.00 0.00 N ATOM 755 CA GLN A 50 1.960 -12.750 1.174 1.00 0.00 C ATOM 756 C GLN A 50 1.133 -12.025 2.224 1.00 0.00 C ATOM 757 O GLN A 50 0.778 -12.591 3.258 1.00 0.00 O ATOM 758 CB GLN A 50 3.251 -11.977 0.909 1.00 0.00 C ATOM 759 CG GLN A 50 4.484 -12.857 0.919 1.00 0.00 C ATOM 760 CD GLN A 50 4.734 -13.528 -0.414 1.00 0.00 C ATOM 761 OE1 GLN A 50 3.801 -13.948 -1.098 1.00 0.00 O ATOM 762 NE2 GLN A 50 6.002 -13.635 -0.787 1.00 0.00 N ATOM 0 H GLN A 50 1.380 -12.166 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 50 2.205 -13.744 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.176 -11.477 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.362 -11.198 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.353 -12.255 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.375 -13.620 1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.743 -13.272 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.237 -14.080 -1.674 1.00 0.00 H new ATOM 771 N TYR A 51 0.828 -10.766 1.943 1.00 0.00 N ATOM 772 CA TYR A 51 0.033 -9.946 2.851 1.00 0.00 C ATOM 773 C TYR A 51 -0.957 -9.090 2.066 1.00 0.00 C ATOM 774 O TYR A 51 -1.221 -7.942 2.424 1.00 0.00 O ATOM 775 CB TYR A 51 0.936 -9.044 3.705 1.00 0.00 C ATOM 776 CG TYR A 51 2.338 -9.577 3.902 1.00 0.00 C ATOM 777 CD1 TYR A 51 2.600 -10.576 4.831 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.401 -9.083 3.156 1.00 0.00 C ATOM 779 CE1 TYR A 51 3.879 -11.065 5.013 1.00 0.00 C ATOM 780 CE2 TYR A 51 4.683 -9.566 3.331 1.00 0.00 C ATOM 781 CZ TYR A 51 4.917 -10.557 4.260 1.00 0.00 C ATOM 782 OH TYR A 51 6.192 -11.042 4.438 1.00 0.00 O ATOM 0 H TYR A 51 1.119 -10.287 1.091 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.519 -10.614 3.513 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.996 -8.061 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.472 -8.905 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.790 -10.977 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.222 -8.307 2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.065 -11.841 5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.498 -9.169 2.743 1.00 0.00 H new ATOM 0 HH TYR A 51 6.806 -10.579 3.830 1.00 0.00 H new ATOM 792 N ARG A 52 -1.496 -9.657 0.990 1.00 0.00 N ATOM 793 CA ARG A 52 -2.450 -8.955 0.148 1.00 0.00 C ATOM 794 C ARG A 52 -3.550 -8.306 0.982 1.00 0.00 C ATOM 795 O ARG A 52 -3.926 -7.158 0.743 1.00 0.00 O ATOM 796 CB ARG A 52 -3.055 -9.930 -0.860 1.00 0.00 C ATOM 797 CG ARG A 52 -3.105 -9.385 -2.276 1.00 0.00 C ATOM 798 CD ARG A 52 -1.755 -9.502 -2.965 1.00 0.00 C ATOM 799 NE ARG A 52 -0.853 -8.419 -2.587 1.00 0.00 N ATOM 800 CZ ARG A 52 0.469 -8.483 -2.710 1.00 0.00 C ATOM 801 NH1 ARG A 52 1.038 -9.576 -3.202 1.00 0.00 N ATOM 802 NH2 ARG A 52 1.222 -7.456 -2.342 1.00 0.00 N ATOM 0 H ARG A 52 -1.284 -10.606 0.683 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.925 -8.162 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.474 -10.852 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.065 -10.188 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.856 -9.928 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.414 -8.340 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.300 -10.459 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.898 -9.495 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.260 -7.564 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.461 -10.368 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.052 -9.625 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.787 -6.615 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.236 -7.507 -2.437 1.00 0.00 H new ATOM 816 N MET A 53 -4.055 -9.041 1.966 1.00 0.00 N ATOM 817 CA MET A 53 -5.102 -8.526 2.839 1.00 0.00 C ATOM 818 C MET A 53 -4.629 -7.270 3.563 1.00 0.00 C ATOM 819 O MET A 53 -5.308 -6.243 3.555 1.00 0.00 O ATOM 820 CB MET A 53 -5.521 -9.588 3.859 1.00 0.00 C ATOM 821 CG MET A 53 -6.544 -10.576 3.325 1.00 0.00 C ATOM 822 SD MET A 53 -6.783 -11.987 4.421 1.00 0.00 S ATOM 823 CE MET A 53 -6.679 -13.343 3.255 1.00 0.00 C ATOM 0 H MET A 53 -3.757 -9.993 2.179 1.00 0.00 H new ATOM 0 HA MET A 53 -5.963 -8.271 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.636 -10.135 4.185 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.932 -9.092 4.739 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.497 -10.066 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.224 -10.932 2.346 1.00 0.00 H new ATOM 0 HE1 MET A 53 -6.808 -14.288 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.461 -13.238 2.504 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.704 -13.330 2.768 1.00 0.00 H new ATOM 833 N THR A 54 -3.455 -7.355 4.183 1.00 0.00 N ATOM 834 CA THR A 54 -2.888 -6.222 4.904 1.00 0.00 C ATOM 835 C THR A 54 -2.886 -4.973 4.030 1.00 0.00 C ATOM 836 O THR A 54 -3.301 -3.898 4.462 1.00 0.00 O ATOM 837 CB THR A 54 -1.461 -6.538 5.361 1.00 0.00 C ATOM 838 OG1 THR A 54 -1.464 -7.579 6.322 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.745 -5.350 5.971 1.00 0.00 C ATOM 0 H THR A 54 -2.879 -8.197 4.200 1.00 0.00 H new ATOM 0 HA THR A 54 -3.508 -6.035 5.781 1.00 0.00 H new ATOM 0 HB THR A 54 -0.928 -6.833 4.457 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.544 -7.769 6.601 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.260 -5.646 6.272 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.682 -4.547 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.297 -5.001 6.844 1.00 0.00 H new ATOM 847 N ILE A 55 -2.414 -5.123 2.796 1.00 0.00 N ATOM 848 CA ILE A 55 -2.360 -4.007 1.861 1.00 0.00 C ATOM 849 C ILE A 55 -3.739 -3.379 1.686 1.00 0.00 C ATOM 850 O ILE A 55 -3.921 -2.182 1.912 1.00 0.00 O ATOM 851 CB ILE A 55 -1.821 -4.444 0.486 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.577 -5.322 0.652 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.505 -3.227 -0.370 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.448 -4.751 1.609 1.00 0.00 C ATOM 0 H ILE A 55 -2.064 -6.005 2.422 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.677 -3.270 2.283 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.590 -5.030 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.883 -6.307 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.111 -5.464 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.125 -3.552 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.411 -2.639 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.752 -2.617 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.300 -5.427 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.783 -3.779 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.001 -4.635 2.596 1.00 0.00 H new ATOM 866 N TRP A 56 -4.712 -4.198 1.302 1.00 0.00 N ATOM 867 CA TRP A 56 -6.080 -3.733 1.117 1.00 0.00 C ATOM 868 C TRP A 56 -6.553 -2.948 2.343 1.00 0.00 C ATOM 869 O TRP A 56 -6.854 -1.757 2.251 1.00 0.00 O ATOM 870 CB TRP A 56 -6.993 -4.940 0.847 1.00 0.00 C ATOM 871 CG TRP A 56 -8.454 -4.691 1.087 1.00 0.00 C ATOM 872 CD1 TRP A 56 -9.181 -3.604 0.696 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.361 -5.553 1.778 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.487 -3.743 1.104 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.620 -4.929 1.768 1.00 0.00 C ATOM 876 CE3 TRP A 56 -9.230 -6.795 2.405 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.740 -5.498 2.357 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.346 -7.364 2.992 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.587 -6.715 2.965 1.00 0.00 C ATOM 0 H TRP A 56 -4.577 -5.191 1.112 1.00 0.00 H new ATOM 0 HA TRP A 56 -6.121 -3.060 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.858 -5.256 -0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.672 -5.769 1.478 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.789 -2.760 0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -11.235 -3.070 0.938 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.276 -7.301 2.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.698 -4.999 2.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.259 -8.324 3.479 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.440 -7.184 3.433 1.00 0.00 H new ATOM 890 N ARG A 57 -6.618 -3.623 3.486 1.00 0.00 N ATOM 891 CA ARG A 57 -7.058 -2.991 4.725 1.00 0.00 C ATOM 892 C ARG A 57 -6.240 -1.740 5.025 1.00 0.00 C ATOM 893 O ARG A 57 -6.734 -0.796 5.641 1.00 0.00 O ATOM 894 CB ARG A 57 -6.951 -3.975 5.891 1.00 0.00 C ATOM 895 CG ARG A 57 -5.527 -4.422 6.182 1.00 0.00 C ATOM 896 CD ARG A 57 -5.372 -4.885 7.621 1.00 0.00 C ATOM 897 NE ARG A 57 -4.557 -3.965 8.408 1.00 0.00 N ATOM 898 CZ ARG A 57 -4.409 -4.054 9.727 1.00 0.00 C ATOM 899 NH1 ARG A 57 -5.018 -5.020 10.400 1.00 0.00 N ATOM 900 NH2 ARG A 57 -3.652 -3.177 10.371 1.00 0.00 N ATOM 0 H ARG A 57 -6.371 -4.608 3.580 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.100 -2.697 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.367 -3.512 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.561 -4.852 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.254 -5.233 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.839 -3.599 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.357 -4.979 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.917 -5.875 7.636 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.074 -3.211 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.601 -5.696 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.904 -5.087 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.182 -2.433 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.539 -3.246 11.382 1.00 0.00 H new ATOM 914 N GLY A 58 -4.984 -1.743 4.594 1.00 0.00 N ATOM 915 CA GLY A 58 -4.125 -0.595 4.811 1.00 0.00 C ATOM 916 C GLY A 58 -4.407 0.515 3.820 1.00 0.00 C ATOM 917 O GLY A 58 -4.193 1.692 4.114 1.00 0.00 O ATOM 0 H GLY A 58 -4.546 -2.519 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.267 -0.221 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.082 -0.901 4.727 1.00 0.00 H new ATOM 921 N LEU A 59 -4.900 0.136 2.647 1.00 0.00 N ATOM 922 CA LEU A 59 -5.232 1.098 1.608 1.00 0.00 C ATOM 923 C LEU A 59 -6.536 1.815 1.935 1.00 0.00 C ATOM 924 O LEU A 59 -6.673 3.016 1.702 1.00 0.00 O ATOM 925 CB LEU A 59 -5.345 0.394 0.256 1.00 0.00 C ATOM 926 CG LEU A 59 -4.366 0.886 -0.809 1.00 0.00 C ATOM 927 CD1 LEU A 59 -2.963 1.005 -0.232 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.374 -0.046 -2.009 1.00 0.00 C ATOM 0 H LEU A 59 -5.079 -0.836 2.393 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.434 1.839 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.190 -0.675 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.361 0.520 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.684 1.875 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.280 1.357 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.969 1.714 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.633 0.030 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.671 0.319 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.081 -1.047 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.376 -0.079 -2.437 1.00 0.00 H new ATOM 940 N GLN A 60 -7.493 1.069 2.478 1.00 0.00 N ATOM 941 CA GLN A 60 -8.779 1.641 2.857 1.00 0.00 C ATOM 942 C GLN A 60 -8.602 2.627 4.007 1.00 0.00 C ATOM 943 O GLN A 60 -9.394 3.555 4.172 1.00 0.00 O ATOM 944 CB GLN A 60 -9.756 0.536 3.258 1.00 0.00 C ATOM 945 CG GLN A 60 -9.262 -0.322 4.410 1.00 0.00 C ATOM 946 CD GLN A 60 -10.229 -1.434 4.763 1.00 0.00 C ATOM 947 OE1 GLN A 60 -10.745 -1.493 5.879 1.00 0.00 O ATOM 948 NE2 GLN A 60 -10.480 -2.323 3.810 1.00 0.00 N ATOM 0 H GLN A 60 -7.402 0.070 2.665 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.187 2.174 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.709 0.987 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.944 -0.102 2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -8.296 -0.754 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.103 0.308 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.030 -2.235 2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.123 -3.094 3.989 1.00 0.00 H new ATOM 957 N ASP A 61 -7.549 2.424 4.794 1.00 0.00 N ATOM 958 CA ASP A 61 -7.253 3.300 5.919 1.00 0.00 C ATOM 959 C ASP A 61 -6.879 4.695 5.431 1.00 0.00 C ATOM 960 O ASP A 61 -7.082 5.686 6.133 1.00 0.00 O ATOM 961 CB ASP A 61 -6.114 2.717 6.758 1.00 0.00 C ATOM 962 CG ASP A 61 -6.362 2.860 8.247 1.00 0.00 C ATOM 963 OD1 ASP A 61 -7.064 1.999 8.818 1.00 0.00 O ATOM 964 OD2 ASP A 61 -5.858 3.836 8.842 1.00 0.00 O ATOM 0 H ASP A 61 -6.886 1.658 4.671 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.147 3.377 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.989 1.662 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.181 3.218 6.498 1.00 0.00 H new ATOM 969 N LEU A 62 -6.333 4.763 4.222 1.00 0.00 N ATOM 970 CA LEU A 62 -5.936 6.034 3.631 1.00 0.00 C ATOM 971 C LEU A 62 -7.144 6.943 3.438 1.00 0.00 C ATOM 972 O LEU A 62 -7.123 8.113 3.821 1.00 0.00 O ATOM 973 CB LEU A 62 -5.245 5.799 2.286 1.00 0.00 C ATOM 974 CG LEU A 62 -3.872 5.134 2.372 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.562 4.385 1.084 1.00 0.00 C ATOM 976 CD2 LEU A 62 -2.799 6.169 2.663 1.00 0.00 C ATOM 0 H LEU A 62 -6.155 3.951 3.632 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.239 6.522 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.893 5.181 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.137 6.757 1.778 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.885 4.415 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.581 3.917 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.318 3.617 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.565 5.083 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.827 5.679 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.784 6.912 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.015 6.660 3.612 1.00 0.00 H new ATOM 988 N LYS A 63 -8.201 6.391 2.849 1.00 0.00 N ATOM 989 CA LYS A 63 -9.427 7.145 2.599 1.00 0.00 C ATOM 990 C LYS A 63 -9.848 7.941 3.832 1.00 0.00 C ATOM 991 O LYS A 63 -10.094 9.145 3.750 1.00 0.00 O ATOM 992 CB LYS A 63 -10.553 6.197 2.180 1.00 0.00 C ATOM 993 CG LYS A 63 -11.894 6.889 1.993 1.00 0.00 C ATOM 994 CD LYS A 63 -11.807 8.008 0.968 1.00 0.00 C ATOM 995 CE LYS A 63 -11.619 7.463 -0.438 1.00 0.00 C ATOM 996 NZ LYS A 63 -12.553 6.340 -0.728 1.00 0.00 N ATOM 0 H LYS A 63 -8.234 5.421 2.535 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.230 7.849 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.274 5.705 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.658 5.416 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.639 6.160 1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.232 7.294 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.715 8.610 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.976 8.668 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.777 8.263 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.591 7.121 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.642 6.220 -1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.183 5.463 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.487 6.551 -0.322 1.00 0.00 H new ATOM 1010 N GLN A 64 -9.925 7.265 4.973 1.00 0.00 N ATOM 1011 CA GLN A 64 -10.311 7.915 6.220 1.00 0.00 C ATOM 1012 C GLN A 64 -9.340 7.559 7.342 1.00 0.00 C ATOM 1013 O GLN A 64 -8.441 8.336 7.666 1.00 0.00 O ATOM 1014 CB GLN A 64 -11.734 7.510 6.614 1.00 0.00 C ATOM 1015 CG GLN A 64 -12.801 8.046 5.672 1.00 0.00 C ATOM 1016 CD GLN A 64 -13.507 9.267 6.226 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -13.056 10.398 6.042 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -14.624 9.046 6.910 1.00 0.00 N ATOM 0 H GLN A 64 -9.726 6.269 5.060 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.279 8.993 6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.799 6.422 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.939 7.868 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.343 8.298 4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.535 7.264 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.963 8.093 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.143 9.830 7.306 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.525 6.382 7.931 1.00 0.00 N ATOM 1028 CA GLY A 65 -8.656 5.948 9.007 1.00 0.00 C ATOM 1029 C GLY A 65 -9.375 5.085 10.025 1.00 0.00 C ATOM 1030 O GLY A 65 -9.956 5.595 10.982 1.00 0.00 O ATOM 0 H GLY A 65 -10.261 5.722 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.818 5.389 8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.239 6.822 9.507 1.00 0.00 H new ATOM 1034 N HIS A 66 -9.333 3.772 9.820 1.00 0.00 N ATOM 1035 CA HIS A 66 -9.983 2.834 10.728 1.00 0.00 C ATOM 1036 C HIS A 66 -8.952 2.004 11.483 1.00 0.00 C ATOM 1037 O HIS A 66 -8.355 1.082 10.928 1.00 0.00 O ATOM 1038 CB HIS A 66 -10.928 1.915 9.952 1.00 0.00 C ATOM 1039 CG HIS A 66 -11.770 2.634 8.945 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -13.140 2.490 8.868 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -11.429 3.508 7.967 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -13.605 3.245 7.888 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -12.588 3.873 7.327 1.00 0.00 N ATOM 0 H HIS A 66 -8.855 3.334 9.033 1.00 0.00 H new ATOM 0 HA HIS A 66 -10.560 3.408 11.453 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.341 1.150 9.443 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -11.580 1.399 10.657 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -13.705 1.894 9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.432 3.853 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.641 3.333 7.596 1.00 0.00 H new ATOM 1052 N ASP A 67 -8.740 2.343 12.752 1.00 0.00 N ATOM 1053 CA ASP A 67 -7.786 1.633 13.591 1.00 0.00 C ATOM 1054 C ASP A 67 -7.572 2.375 14.902 1.00 0.00 C ATOM 1055 O ASP A 67 -7.600 3.605 14.946 1.00 0.00 O ATOM 1056 CB ASP A 67 -6.447 1.463 12.871 1.00 0.00 C ATOM 1057 CG ASP A 67 -6.046 2.701 12.093 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -6.447 3.812 12.497 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -5.327 2.559 11.082 1.00 0.00 O ATOM 0 H ASP A 67 -9.221 3.110 13.222 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.198 0.646 13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.672 1.230 13.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.509 0.614 12.190 1.00 0.00 H new ATOM 1064 N TYR A 68 -7.343 1.612 15.962 1.00 0.00 N ATOM 1065 CA TYR A 68 -7.113 2.167 17.296 1.00 0.00 C ATOM 1066 C TYR A 68 -6.248 3.425 17.243 1.00 0.00 C ATOM 1067 O TYR A 68 -6.387 4.276 18.146 1.00 0.00 O ATOM 1068 CB TYR A 68 -6.438 1.118 18.180 1.00 0.00 C ATOM 1069 CG TYR A 68 -7.406 0.157 18.832 1.00 0.00 C ATOM 1070 CD1 TYR A 68 -8.472 0.624 19.592 1.00 0.00 C ATOM 1071 CD2 TYR A 68 -7.252 -1.216 18.691 1.00 0.00 C ATOM 1072 CE1 TYR A 68 -9.358 -0.252 20.190 1.00 0.00 C ATOM 1073 CE2 TYR A 68 -8.134 -2.098 19.286 1.00 0.00 C ATOM 1074 CZ TYR A 68 -9.185 -1.611 20.034 1.00 0.00 C ATOM 1075 OH TYR A 68 -10.065 -2.486 20.629 1.00 0.00 O ATOM 1076 OXT TYR A 68 -5.439 3.546 16.300 1.00 0.00 O ATOM 0 H TYR A 68 -7.311 0.593 15.926 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.081 2.442 17.715 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.728 0.551 17.578 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.865 1.625 18.956 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.610 1.688 19.717 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.429 -1.601 18.107 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.182 0.126 20.777 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.001 -3.163 19.166 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.802 -3.407 20.420 1.00 0.00 H new TER 1086 TYR A 68