USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -6.28! C(o=-8.5!,f=-16!) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.18 K(o=-8.5,f=-9.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.427 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 167:sc= -0.0502 (180deg=-0.41) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.043) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 26 ASN : amide:sc= -2.91 K(o=-2.9,f=-14!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-14!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -43:sc= 0.378 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 130:sc= -0.261 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -106:sc= -1.77 USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 0.865 (180deg=0.0837) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.112 22.245 15.135 1.00 0.00 N ATOM 2 CA GLY A 1 -13.533 21.074 14.388 1.00 0.00 C ATOM 3 C GLY A 1 -13.473 21.290 12.889 1.00 0.00 C ATOM 4 O GLY A 1 -14.259 22.057 12.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.171 22.046 16.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.131 22.482 14.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.732 23.047 14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.899 20.229 14.656 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.552 20.812 14.674 1.00 0.00 H new ATOM 8 N SER A 2 -12.536 20.614 12.233 1.00 0.00 N ATOM 9 CA SER A 2 -12.372 20.741 10.789 1.00 0.00 C ATOM 10 C SER A 2 -11.980 19.404 10.168 1.00 0.00 C ATOM 11 O SER A 2 -11.495 18.505 10.856 1.00 0.00 O ATOM 12 CB SER A 2 -11.313 21.796 10.465 1.00 0.00 C ATOM 13 OG SER A 2 -10.126 21.573 11.206 1.00 0.00 O ATOM 0 H SER A 2 -11.879 19.973 12.678 1.00 0.00 H new ATOM 0 HA SER A 2 -13.327 21.053 10.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.089 21.775 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.704 22.789 10.689 1.00 0.00 H new ATOM 0 HG SER A 2 -9.465 22.260 10.979 1.00 0.00 H new ATOM 19 N SER A 3 -12.192 19.280 8.862 1.00 0.00 N ATOM 20 CA SER A 3 -11.863 18.052 8.147 1.00 0.00 C ATOM 21 C SER A 3 -11.557 18.342 6.681 1.00 0.00 C ATOM 22 O SER A 3 -12.431 18.759 5.922 1.00 0.00 O ATOM 23 CB SER A 3 -13.019 17.054 8.249 1.00 0.00 C ATOM 24 OG SER A 3 -13.075 16.470 9.539 1.00 0.00 O ATOM 0 H SER A 3 -12.590 20.015 8.277 1.00 0.00 H new ATOM 0 HA SER A 3 -10.975 17.619 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.960 17.560 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.897 16.274 7.498 1.00 0.00 H new ATOM 0 HG SER A 3 -12.523 16.992 10.159 1.00 0.00 H new ATOM 30 N GLY A 4 -10.304 18.119 6.290 1.00 0.00 N ATOM 31 CA GLY A 4 -9.903 18.362 4.917 1.00 0.00 C ATOM 32 C GLY A 4 -9.488 17.092 4.201 1.00 0.00 C ATOM 33 O GLY A 4 -9.903 15.996 4.577 1.00 0.00 O ATOM 0 H GLY A 4 -9.562 17.775 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.728 18.827 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.075 19.070 4.904 1.00 0.00 H new ATOM 37 N SER A 5 -8.668 17.239 3.165 1.00 0.00 N ATOM 38 CA SER A 5 -8.203 16.094 2.391 1.00 0.00 C ATOM 39 C SER A 5 -6.751 16.284 1.962 1.00 0.00 C ATOM 40 O SER A 5 -6.261 17.409 1.870 1.00 0.00 O ATOM 41 CB SER A 5 -9.087 15.890 1.159 1.00 0.00 C ATOM 42 OG SER A 5 -9.220 17.093 0.422 1.00 0.00 O ATOM 0 H SER A 5 -8.312 18.139 2.843 1.00 0.00 H new ATOM 0 HA SER A 5 -8.266 15.209 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.657 15.116 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.071 15.538 1.468 1.00 0.00 H new ATOM 0 HG SER A 5 -9.788 16.936 -0.361 1.00 0.00 H new ATOM 48 N SER A 6 -6.068 15.173 1.702 1.00 0.00 N ATOM 49 CA SER A 6 -4.669 15.215 1.287 1.00 0.00 C ATOM 50 C SER A 6 -4.505 14.655 -0.123 1.00 0.00 C ATOM 51 O SER A 6 -5.473 14.224 -0.749 1.00 0.00 O ATOM 52 CB SER A 6 -3.800 14.425 2.266 1.00 0.00 C ATOM 53 OG SER A 6 -3.952 14.912 3.589 1.00 0.00 O ATOM 0 H SER A 6 -6.460 14.234 1.771 1.00 0.00 H new ATOM 0 HA SER A 6 -4.347 16.256 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.072 13.370 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.754 14.495 1.967 1.00 0.00 H new ATOM 0 HG SER A 6 -3.388 14.390 4.197 1.00 0.00 H new ATOM 59 N GLY A 7 -3.271 14.666 -0.617 1.00 0.00 N ATOM 60 CA GLY A 7 -2.999 14.158 -1.949 1.00 0.00 C ATOM 61 C GLY A 7 -1.519 14.150 -2.277 1.00 0.00 C ATOM 62 O GLY A 7 -1.136 14.232 -3.443 1.00 0.00 O ATOM 0 H GLY A 7 -2.454 15.018 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.392 13.145 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.527 14.768 -2.682 1.00 0.00 H new ATOM 66 N MET A 8 -0.688 14.053 -1.246 1.00 0.00 N ATOM 67 CA MET A 8 0.759 14.036 -1.431 1.00 0.00 C ATOM 68 C MET A 8 1.318 12.631 -1.224 1.00 0.00 C ATOM 69 O MET A 8 2.528 12.444 -1.118 1.00 0.00 O ATOM 70 CB MET A 8 1.430 15.011 -0.462 1.00 0.00 C ATOM 71 CG MET A 8 0.720 15.122 0.878 1.00 0.00 C ATOM 72 SD MET A 8 1.679 16.041 2.097 1.00 0.00 S ATOM 73 CE MET A 8 1.853 17.621 1.270 1.00 0.00 C ATOM 0 H MET A 8 -0.990 13.985 -0.274 1.00 0.00 H new ATOM 0 HA MET A 8 0.972 14.346 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.459 14.693 -0.293 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.473 15.997 -0.924 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.243 15.611 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.516 14.122 1.261 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.216 18.365 1.979 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.563 17.526 0.449 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.886 17.935 0.878 1.00 0.00 H new ATOM 83 N ALA A 9 0.425 11.647 -1.168 1.00 0.00 N ATOM 84 CA ALA A 9 0.829 10.260 -0.976 1.00 0.00 C ATOM 85 C ALA A 9 1.222 9.614 -2.301 1.00 0.00 C ATOM 86 O ALA A 9 0.366 9.172 -3.066 1.00 0.00 O ATOM 87 CB ALA A 9 -0.290 9.471 -0.315 1.00 0.00 C ATOM 0 H ALA A 9 -0.582 11.785 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 9 1.702 10.249 -0.323 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.026 8.437 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.522 9.911 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.177 9.499 -0.947 1.00 0.00 H new ATOM 93 N LEU A 10 2.523 9.565 -2.566 1.00 0.00 N ATOM 94 CA LEU A 10 3.030 8.973 -3.799 1.00 0.00 C ATOM 95 C LEU A 10 3.054 7.451 -3.704 1.00 0.00 C ATOM 96 O LEU A 10 3.422 6.889 -2.672 1.00 0.00 O ATOM 97 CB LEU A 10 4.436 9.499 -4.100 1.00 0.00 C ATOM 98 CG LEU A 10 4.632 11.008 -3.956 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.945 11.438 -4.591 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.465 11.760 -4.578 1.00 0.00 C ATOM 0 H LEU A 10 3.245 9.928 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 10 2.360 9.257 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.140 8.996 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.699 9.214 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 10 4.669 11.250 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.068 12.515 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.772 10.926 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.938 11.182 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.622 12.833 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.396 11.512 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.540 11.475 -4.077 1.00 0.00 H new ATOM 112 N LEU A 11 2.661 6.790 -4.787 1.00 0.00 N ATOM 113 CA LEU A 11 2.641 5.331 -4.827 1.00 0.00 C ATOM 114 C LEU A 11 4.037 4.773 -5.077 1.00 0.00 C ATOM 115 O LEU A 11 4.693 5.130 -6.056 1.00 0.00 O ATOM 116 CB LEU A 11 1.682 4.846 -5.915 1.00 0.00 C ATOM 117 CG LEU A 11 1.614 3.332 -6.125 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.686 2.605 -4.791 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.346 2.953 -6.875 1.00 0.00 C ATOM 0 H LEU A 11 2.352 7.240 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 11 2.295 4.970 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.681 5.205 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.969 5.311 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 11 2.471 3.029 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.636 1.529 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.624 2.851 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.850 2.913 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.315 1.872 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.525 3.269 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.338 3.445 -7.848 1.00 0.00 H new ATOM 131 N CYS A 12 4.485 3.893 -4.188 1.00 0.00 N ATOM 132 CA CYS A 12 5.804 3.282 -4.313 1.00 0.00 C ATOM 133 C CYS A 12 5.794 2.180 -5.368 1.00 0.00 C ATOM 134 O CYS A 12 4.833 1.418 -5.477 1.00 0.00 O ATOM 135 CB CYS A 12 6.252 2.711 -2.967 1.00 0.00 C ATOM 136 SG CYS A 12 8.014 2.250 -2.906 1.00 0.00 S ATOM 0 H CYS A 12 3.954 3.587 -3.373 1.00 0.00 H new ATOM 0 HA CYS A 12 6.508 4.053 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.052 3.446 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.649 1.832 -2.738 1.00 0.00 H new ATOM 141 N TYR A 13 6.870 2.103 -6.143 1.00 0.00 N ATOM 142 CA TYR A 13 6.986 1.096 -7.192 1.00 0.00 C ATOM 143 C TYR A 13 8.209 0.213 -6.965 1.00 0.00 C ATOM 144 O TYR A 13 8.842 -0.247 -7.915 1.00 0.00 O ATOM 145 CB TYR A 13 7.075 1.767 -8.564 1.00 0.00 C ATOM 146 CG TYR A 13 5.766 2.356 -9.036 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.795 1.556 -9.628 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.497 3.711 -8.891 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.596 2.089 -10.062 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.301 4.253 -9.320 1.00 0.00 C ATOM 151 CZ TYR A 13 3.354 3.438 -9.905 1.00 0.00 C ATOM 152 OH TYR A 13 2.162 3.974 -10.335 1.00 0.00 O ATOM 0 H TYR A 13 7.674 2.725 -6.065 1.00 0.00 H new ATOM 0 HA TYR A 13 6.095 0.468 -7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.826 2.556 -8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.419 1.036 -9.295 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.981 0.499 -9.751 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.236 4.352 -8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.853 1.453 -10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.108 5.309 -9.198 1.00 0.00 H new ATOM 0 HH TYR A 13 2.150 4.936 -10.150 1.00 0.00 H new ATOM 162 N ASN A 14 8.535 -0.021 -5.698 1.00 0.00 N ATOM 163 CA ASN A 14 9.682 -0.850 -5.345 1.00 0.00 C ATOM 164 C ASN A 14 9.234 -2.241 -4.906 1.00 0.00 C ATOM 165 O ASN A 14 8.405 -2.382 -4.007 1.00 0.00 O ATOM 166 CB ASN A 14 10.493 -0.187 -4.229 1.00 0.00 C ATOM 167 CG ASN A 14 11.063 1.154 -4.647 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.594 1.299 -5.749 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.959 2.142 -3.767 1.00 0.00 N ATOM 0 H ASN A 14 8.022 0.351 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 14 10.310 -0.953 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.858 -0.052 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.307 -0.849 -3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.327 3.066 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.511 1.977 -2.866 1.00 0.00 H new ATOM 176 N ARG A 15 9.788 -3.265 -5.546 1.00 0.00 N ATOM 177 CA ARG A 15 9.445 -4.644 -5.222 1.00 0.00 C ATOM 178 C ARG A 15 9.445 -4.865 -3.712 1.00 0.00 C ATOM 179 O ARG A 15 10.444 -4.613 -3.037 1.00 0.00 O ATOM 180 CB ARG A 15 10.431 -5.607 -5.888 1.00 0.00 C ATOM 181 CG ARG A 15 10.799 -5.214 -7.309 1.00 0.00 C ATOM 182 CD ARG A 15 11.165 -6.430 -8.146 1.00 0.00 C ATOM 183 NE ARG A 15 11.289 -6.101 -9.564 1.00 0.00 N ATOM 184 CZ ARG A 15 11.175 -6.997 -10.538 1.00 0.00 C ATOM 185 NH1 ARG A 15 10.935 -8.269 -10.250 1.00 0.00 N ATOM 186 NH2 ARG A 15 11.300 -6.621 -11.805 1.00 0.00 N ATOM 0 H ARG A 15 10.476 -3.166 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 15 8.442 -4.840 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.339 -5.657 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.999 -6.608 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.962 -4.691 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.638 -4.518 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.106 -6.847 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.405 -7.201 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 15 11.473 -5.131 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.837 -8.562 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.848 -8.954 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.484 -5.644 -12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.212 -7.310 -12.552 1.00 0.00 H new ATOM 200 N GLY A 16 8.318 -5.335 -3.188 1.00 0.00 N ATOM 201 CA GLY A 16 8.208 -5.580 -1.762 1.00 0.00 C ATOM 202 C GLY A 16 7.408 -4.508 -1.049 1.00 0.00 C ATOM 203 O GLY A 16 6.892 -4.733 0.046 1.00 0.00 O ATOM 0 H GLY A 16 7.478 -5.551 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.737 -6.549 -1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.206 -5.633 -1.328 1.00 0.00 H new ATOM 207 N CYS A 17 7.306 -3.338 -1.669 1.00 0.00 N ATOM 208 CA CYS A 17 6.564 -2.226 -1.087 1.00 0.00 C ATOM 209 C CYS A 17 5.231 -2.026 -1.802 1.00 0.00 C ATOM 210 O CYS A 17 4.169 -2.308 -1.249 1.00 0.00 O ATOM 211 CB CYS A 17 7.392 -0.941 -1.160 1.00 0.00 C ATOM 212 SG CYS A 17 7.066 0.232 0.195 1.00 0.00 S ATOM 0 H CYS A 17 7.728 -3.135 -2.575 1.00 0.00 H new ATOM 0 HA CYS A 17 6.363 -2.463 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.450 -1.202 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.192 -0.446 -2.110 1.00 0.00 H new ATOM 217 N GLY A 18 5.297 -1.538 -3.037 1.00 0.00 N ATOM 218 CA GLY A 18 4.089 -1.309 -3.809 1.00 0.00 C ATOM 219 C GLY A 18 3.024 -0.577 -3.015 1.00 0.00 C ATOM 220 O GLY A 18 1.846 -0.605 -3.373 1.00 0.00 O ATOM 0 H GLY A 18 6.164 -1.297 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.335 -0.731 -4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.692 -2.265 -4.149 1.00 0.00 H new ATOM 224 N GLN A 19 3.438 0.077 -1.935 1.00 0.00 N ATOM 225 CA GLN A 19 2.510 0.817 -1.089 1.00 0.00 C ATOM 226 C GLN A 19 2.733 2.320 -1.222 1.00 0.00 C ATOM 227 O GLN A 19 3.761 2.763 -1.733 1.00 0.00 O ATOM 228 CB GLN A 19 2.672 0.393 0.372 1.00 0.00 C ATOM 229 CG GLN A 19 2.186 -1.020 0.653 1.00 0.00 C ATOM 230 CD GLN A 19 1.641 -1.182 2.058 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.056 -2.076 2.797 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.707 -0.317 2.434 1.00 0.00 N ATOM 0 H GLN A 19 4.409 0.109 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 19 1.496 0.588 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.723 0.468 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.124 1.090 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.410 -1.283 -0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.009 -1.719 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.393 0.408 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.303 -0.377 3.369 1.00 0.00 H new ATOM 241 N ARG A 20 1.762 3.100 -0.758 1.00 0.00 N ATOM 242 CA ARG A 20 1.851 4.554 -0.827 1.00 0.00 C ATOM 243 C ARG A 20 2.856 5.086 0.189 1.00 0.00 C ATOM 244 O ARG A 20 3.360 4.339 1.029 1.00 0.00 O ATOM 245 CB ARG A 20 0.477 5.182 -0.578 1.00 0.00 C ATOM 246 CG ARG A 20 -0.519 4.929 -1.697 1.00 0.00 C ATOM 247 CD ARG A 20 -0.452 6.014 -2.760 1.00 0.00 C ATOM 248 NE ARG A 20 -1.727 6.184 -3.451 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.877 6.917 -4.549 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.835 7.544 -5.078 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.070 7.023 -5.120 1.00 0.00 N ATOM 0 H ARG A 20 0.905 2.750 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 20 2.192 4.825 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.071 4.789 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.597 6.257 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.317 3.959 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.527 4.884 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.162 6.957 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.322 5.764 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.548 5.714 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.084 7.464 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.952 8.106 -5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.873 6.541 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.184 7.586 -5.963 1.00 0.00 H new ATOM 265 N PHE A 21 3.146 6.380 0.106 1.00 0.00 N ATOM 266 CA PHE A 21 4.094 7.012 1.017 1.00 0.00 C ATOM 267 C PHE A 21 4.066 8.530 0.864 1.00 0.00 C ATOM 268 O PHE A 21 3.521 9.057 -0.106 1.00 0.00 O ATOM 269 CB PHE A 21 5.507 6.488 0.759 1.00 0.00 C ATOM 270 CG PHE A 21 6.087 6.945 -0.548 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.863 6.225 -1.711 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.858 8.095 -0.615 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.396 6.643 -2.916 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.392 8.518 -1.818 1.00 0.00 C ATOM 275 CZ PHE A 21 7.161 7.791 -2.969 1.00 0.00 C ATOM 0 H PHE A 21 2.738 7.012 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 21 3.802 6.762 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.160 6.812 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.491 5.398 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.265 5.327 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.044 8.667 0.282 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.214 6.072 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.990 9.417 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.578 8.120 -3.909 1.00 0.00 H new ATOM 285 N ASP A 22 4.658 9.226 1.828 1.00 0.00 N ATOM 286 CA ASP A 22 4.701 10.684 1.801 1.00 0.00 C ATOM 287 C ASP A 22 6.110 11.179 1.493 1.00 0.00 C ATOM 288 O ASP A 22 7.087 10.784 2.131 1.00 0.00 O ATOM 289 CB ASP A 22 4.227 11.254 3.139 1.00 0.00 C ATOM 290 CG ASP A 22 3.095 10.448 3.744 1.00 0.00 C ATOM 291 OD1 ASP A 22 3.224 9.208 3.820 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.082 11.057 4.143 1.00 0.00 O ATOM 0 H ASP A 22 5.114 8.805 2.637 1.00 0.00 H new ATOM 0 HA ASP A 22 4.033 11.029 1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.064 11.279 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.900 12.284 2.996 1.00 0.00 H new ATOM 297 N PRO A 23 6.221 12.064 0.491 1.00 0.00 N ATOM 298 CA PRO A 23 7.507 12.632 0.075 1.00 0.00 C ATOM 299 C PRO A 23 8.082 13.589 1.115 1.00 0.00 C ATOM 300 O PRO A 23 9.274 13.548 1.416 1.00 0.00 O ATOM 301 CB PRO A 23 7.162 13.385 -1.212 1.00 0.00 C ATOM 302 CG PRO A 23 5.715 13.715 -1.082 1.00 0.00 C ATOM 303 CD PRO A 23 5.101 12.579 -0.312 1.00 0.00 C ATOM 0 HA PRO A 23 8.269 11.864 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.766 14.286 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.350 12.771 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.576 14.661 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.249 13.820 -2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.279 12.919 0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.699 11.815 -0.977 1.00 0.00 H new ATOM 311 N GLU A 24 7.226 14.447 1.660 1.00 0.00 N ATOM 312 CA GLU A 24 7.650 15.414 2.665 1.00 0.00 C ATOM 313 C GLU A 24 8.210 14.708 3.897 1.00 0.00 C ATOM 314 O GLU A 24 8.816 15.336 4.766 1.00 0.00 O ATOM 315 CB GLU A 24 6.479 16.312 3.068 1.00 0.00 C ATOM 316 CG GLU A 24 5.149 15.580 3.147 1.00 0.00 C ATOM 317 CD GLU A 24 4.200 16.205 4.150 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.342 17.414 4.429 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.313 15.485 4.656 1.00 0.00 O ATOM 0 H GLU A 24 6.235 14.492 1.423 1.00 0.00 H new ATOM 0 HA GLU A 24 8.437 16.029 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.694 16.762 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.393 17.127 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.681 15.577 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.326 14.540 3.419 1.00 0.00 H new ATOM 326 N THR A 25 8.003 13.396 3.965 1.00 0.00 N ATOM 327 CA THR A 25 8.484 12.604 5.089 1.00 0.00 C ATOM 328 C THR A 25 9.351 11.443 4.613 1.00 0.00 C ATOM 329 O THR A 25 10.130 10.882 5.382 1.00 0.00 O ATOM 330 CB THR A 25 7.318 12.049 5.927 1.00 0.00 C ATOM 331 OG1 THR A 25 6.906 10.777 5.412 1.00 0.00 O ATOM 332 CG2 THR A 25 6.139 13.010 5.916 1.00 0.00 C ATOM 0 H THR A 25 7.505 12.860 3.254 1.00 0.00 H new ATOM 0 HA THR A 25 9.082 13.270 5.711 1.00 0.00 H new ATOM 0 HB THR A 25 7.662 11.931 6.954 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.165 10.430 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.327 12.597 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.447 13.968 6.334 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.797 13.155 4.891 1.00 0.00 H new ATOM 340 N ASN A 26 9.207 11.088 3.340 1.00 0.00 N ATOM 341 CA ASN A 26 9.977 9.993 2.761 1.00 0.00 C ATOM 342 C ASN A 26 11.473 10.208 2.974 1.00 0.00 C ATOM 343 O ASN A 26 11.997 11.292 2.719 1.00 0.00 O ATOM 344 CB ASN A 26 9.676 9.864 1.267 1.00 0.00 C ATOM 345 CG ASN A 26 10.542 8.818 0.591 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.324 8.127 1.244 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.403 8.697 -0.724 1.00 0.00 N ATOM 0 H ASN A 26 8.565 11.542 2.690 1.00 0.00 H new ATOM 0 HA ASN A 26 9.685 9.071 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.626 9.605 1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.831 10.828 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.957 8.009 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.742 9.292 -1.224 1.00 0.00 H new ATOM 354 N SER A 27 12.155 9.166 3.441 1.00 0.00 N ATOM 355 CA SER A 27 13.590 9.242 3.690 1.00 0.00 C ATOM 356 C SER A 27 14.299 8.000 3.158 1.00 0.00 C ATOM 357 O SER A 27 13.705 7.188 2.449 1.00 0.00 O ATOM 358 CB SER A 27 13.861 9.396 5.188 1.00 0.00 C ATOM 359 OG SER A 27 14.893 10.337 5.425 1.00 0.00 O ATOM 0 H SER A 27 11.737 8.260 3.654 1.00 0.00 H new ATOM 0 HA SER A 27 13.980 10.115 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.950 9.715 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.140 8.431 5.611 1.00 0.00 H new ATOM 0 HG SER A 27 15.046 10.419 6.390 1.00 0.00 H new ATOM 365 N ASP A 28 15.573 7.860 3.506 1.00 0.00 N ATOM 366 CA ASP A 28 16.365 6.718 3.066 1.00 0.00 C ATOM 367 C ASP A 28 16.112 5.506 3.956 1.00 0.00 C ATOM 368 O ASP A 28 16.670 4.431 3.733 1.00 0.00 O ATOM 369 CB ASP A 28 17.854 7.070 3.072 1.00 0.00 C ATOM 370 CG ASP A 28 18.694 6.046 2.334 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.858 4.924 2.858 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.189 6.366 1.233 1.00 0.00 O ATOM 0 H ASP A 28 16.080 8.524 4.092 1.00 0.00 H new ATOM 0 HA ASP A 28 16.063 6.468 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.995 8.049 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.202 7.147 4.102 1.00 0.00 H new ATOM 377 N ASP A 29 15.269 5.686 4.967 1.00 0.00 N ATOM 378 CA ASP A 29 14.943 4.607 5.892 1.00 0.00 C ATOM 379 C ASP A 29 13.441 4.552 6.153 1.00 0.00 C ATOM 380 O ASP A 29 13.003 4.185 7.243 1.00 0.00 O ATOM 381 CB ASP A 29 15.695 4.791 7.210 1.00 0.00 C ATOM 382 CG ASP A 29 15.178 5.970 8.012 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.021 7.062 7.428 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.931 5.799 9.224 1.00 0.00 O ATOM 0 H ASP A 29 14.799 6.569 5.167 1.00 0.00 H new ATOM 0 HA ASP A 29 15.250 3.666 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.605 3.883 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.756 4.933 7.003 1.00 0.00 H new ATOM 389 N ALA A 30 12.656 4.919 5.145 1.00 0.00 N ATOM 390 CA ALA A 30 11.203 4.910 5.265 1.00 0.00 C ATOM 391 C ALA A 30 10.577 3.924 4.284 1.00 0.00 C ATOM 392 O ALA A 30 9.394 3.599 4.385 1.00 0.00 O ATOM 393 CB ALA A 30 10.646 6.308 5.040 1.00 0.00 C ATOM 0 H ALA A 30 13.002 5.226 4.236 1.00 0.00 H new ATOM 0 HA ALA A 30 10.949 4.588 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.560 6.286 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.060 6.989 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.918 6.652 4.042 1.00 0.00 H new ATOM 399 N CYS A 31 11.378 3.453 3.334 1.00 0.00 N ATOM 400 CA CYS A 31 10.903 2.506 2.333 1.00 0.00 C ATOM 401 C CYS A 31 11.648 1.178 2.444 1.00 0.00 C ATOM 402 O CYS A 31 12.877 1.138 2.407 1.00 0.00 O ATOM 403 CB CYS A 31 11.078 3.086 0.928 1.00 0.00 C ATOM 404 SG CYS A 31 10.539 1.971 -0.409 1.00 0.00 S ATOM 0 H CYS A 31 12.360 3.712 3.237 1.00 0.00 H new ATOM 0 HA CYS A 31 9.844 2.325 2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.516 4.018 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.128 3.335 0.778 1.00 0.00 H new ATOM 409 N THR A 32 10.892 0.093 2.580 1.00 0.00 N ATOM 410 CA THR A 32 11.479 -1.236 2.697 1.00 0.00 C ATOM 411 C THR A 32 11.133 -2.098 1.488 1.00 0.00 C ATOM 412 O THR A 32 10.063 -2.704 1.431 1.00 0.00 O ATOM 413 CB THR A 32 11.000 -1.950 3.976 1.00 0.00 C ATOM 414 OG1 THR A 32 10.792 -0.995 5.021 1.00 0.00 O ATOM 415 CG2 THR A 32 12.017 -2.989 4.427 1.00 0.00 C ATOM 0 H THR A 32 9.873 0.109 2.612 1.00 0.00 H new ATOM 0 HA THR A 32 12.560 -1.102 2.747 1.00 0.00 H new ATOM 0 HB THR A 32 10.060 -2.455 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.486 -1.456 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.658 -3.481 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.153 -3.731 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.969 -2.500 4.633 1.00 0.00 H new ATOM 423 N TYR A 33 12.046 -2.150 0.525 1.00 0.00 N ATOM 424 CA TYR A 33 11.837 -2.937 -0.685 1.00 0.00 C ATOM 425 C TYR A 33 12.965 -3.945 -0.880 1.00 0.00 C ATOM 426 O TYR A 33 13.854 -4.072 -0.037 1.00 0.00 O ATOM 427 CB TYR A 33 11.740 -2.020 -1.905 1.00 0.00 C ATOM 428 CG TYR A 33 12.994 -1.214 -2.158 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.250 -0.048 -1.445 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.924 -1.616 -3.109 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.393 0.692 -1.673 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.070 -0.883 -3.342 1.00 0.00 C ATOM 433 CZ TYR A 33 15.300 0.270 -2.622 1.00 0.00 C ATOM 434 OH TYR A 33 16.441 1.005 -2.853 1.00 0.00 O ATOM 0 H TYR A 33 12.938 -1.657 0.558 1.00 0.00 H new ATOM 0 HA TYR A 33 10.900 -3.484 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.522 -2.623 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.901 -1.338 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.542 0.285 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.747 -2.518 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.576 1.596 -1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.783 -1.211 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 33 16.974 0.571 -3.551 1.00 0.00 H new ATOM 444 N HIS A 34 12.924 -4.660 -2.000 1.00 0.00 N ATOM 445 CA HIS A 34 13.943 -5.657 -2.309 1.00 0.00 C ATOM 446 C HIS A 34 14.700 -5.284 -3.580 1.00 0.00 C ATOM 447 O HIS A 34 14.170 -5.351 -4.690 1.00 0.00 O ATOM 448 CB HIS A 34 13.306 -7.037 -2.468 1.00 0.00 C ATOM 449 CG HIS A 34 12.701 -7.567 -1.203 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.455 -8.035 -0.148 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.408 -7.700 -0.828 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.653 -8.434 0.821 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.405 -8.241 0.434 1.00 0.00 N ATOM 0 H HIS A 34 12.196 -4.568 -2.709 1.00 0.00 H new ATOM 0 HA HIS A 34 14.650 -5.686 -1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.535 -6.986 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.062 -7.738 -2.821 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.540 -7.431 -1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.964 -8.848 1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.574 -8.459 0.984 1.00 0.00 H new ATOM 461 N PRO A 35 15.969 -4.881 -3.418 1.00 0.00 N ATOM 462 CA PRO A 35 16.826 -4.489 -4.541 1.00 0.00 C ATOM 463 C PRO A 35 17.212 -5.676 -5.417 1.00 0.00 C ATOM 464 O PRO A 35 17.964 -5.531 -6.380 1.00 0.00 O ATOM 465 CB PRO A 35 18.063 -3.905 -3.857 1.00 0.00 C ATOM 466 CG PRO A 35 18.101 -4.558 -2.518 1.00 0.00 C ATOM 467 CD PRO A 35 16.666 -4.777 -2.125 1.00 0.00 C ATOM 0 HA PRO A 35 16.325 -3.792 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.968 -4.118 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.991 -2.821 -3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.643 -5.503 -2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.613 -3.928 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.546 -5.683 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.283 -3.950 -1.527 1.00 0.00 H new ATOM 475 N GLY A 36 16.691 -6.851 -5.077 1.00 0.00 N ATOM 476 CA GLY A 36 16.993 -8.046 -5.843 1.00 0.00 C ATOM 477 C GLY A 36 15.870 -8.429 -6.786 1.00 0.00 C ATOM 478 O GLY A 36 15.135 -7.568 -7.271 1.00 0.00 O ATOM 0 H GLY A 36 16.065 -6.997 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.906 -7.885 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.187 -8.873 -5.160 1.00 0.00 H new ATOM 482 N VAL A 37 15.736 -9.725 -7.049 1.00 0.00 N ATOM 483 CA VAL A 37 14.695 -10.221 -7.942 1.00 0.00 C ATOM 484 C VAL A 37 14.033 -11.471 -7.373 1.00 0.00 C ATOM 485 O VAL A 37 14.620 -12.207 -6.579 1.00 0.00 O ATOM 486 CB VAL A 37 15.259 -10.542 -9.339 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.168 -9.324 -10.245 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.696 -11.031 -9.233 1.00 0.00 C ATOM 0 H VAL A 37 16.335 -10.451 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 37 13.952 -9.429 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 37 14.659 -11.338 -9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.571 -9.570 -11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.125 -9.023 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.742 -8.505 -9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.079 -11.253 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.310 -10.258 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.729 -11.933 -8.622 1.00 0.00 H new ATOM 498 N PRO A 38 12.782 -11.720 -7.789 1.00 0.00 N ATOM 499 CA PRO A 38 12.014 -12.882 -7.335 1.00 0.00 C ATOM 500 C PRO A 38 12.562 -14.192 -7.889 1.00 0.00 C ATOM 501 O PRO A 38 12.569 -14.412 -9.100 1.00 0.00 O ATOM 502 CB PRO A 38 10.611 -12.615 -7.885 1.00 0.00 C ATOM 503 CG PRO A 38 10.827 -11.734 -9.066 1.00 0.00 C ATOM 504 CD PRO A 38 12.024 -10.885 -8.735 1.00 0.00 C ATOM 0 HA PRO A 38 12.049 -12.996 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.114 -13.543 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.980 -12.131 -7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.003 -12.323 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.950 -11.115 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.610 -10.652 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.732 -9.935 -8.288 1.00 0.00 H new ATOM 512 N VAL A 39 13.021 -15.062 -6.994 1.00 0.00 N ATOM 513 CA VAL A 39 13.570 -16.352 -7.393 1.00 0.00 C ATOM 514 C VAL A 39 12.726 -17.500 -6.851 1.00 0.00 C ATOM 515 O VAL A 39 12.046 -17.359 -5.834 1.00 0.00 O ATOM 516 CB VAL A 39 15.021 -16.520 -6.904 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.196 -15.895 -5.528 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.410 -17.990 -6.884 1.00 0.00 C ATOM 0 H VAL A 39 13.023 -14.896 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 39 13.557 -16.378 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 39 15.682 -16.003 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.227 -16.023 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.961 -14.832 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.526 -16.381 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.438 -18.090 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.745 -18.533 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.326 -18.402 -7.889 1.00 0.00 H new ATOM 528 N PHE A 40 12.775 -18.638 -7.536 1.00 0.00 N ATOM 529 CA PHE A 40 12.015 -19.812 -7.123 1.00 0.00 C ATOM 530 C PHE A 40 12.863 -21.075 -7.233 1.00 0.00 C ATOM 531 O PHE A 40 12.972 -21.673 -8.304 1.00 0.00 O ATOM 532 CB PHE A 40 10.754 -19.955 -7.978 1.00 0.00 C ATOM 533 CG PHE A 40 10.222 -18.645 -8.486 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.837 -17.650 -7.603 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.108 -18.410 -9.847 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.347 -16.443 -8.067 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.620 -17.205 -10.317 1.00 0.00 C ATOM 538 CZ PHE A 40 9.238 -16.221 -9.426 1.00 0.00 C ATOM 0 H PHE A 40 13.333 -18.772 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 40 11.726 -19.679 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.972 -20.603 -8.827 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.980 -20.449 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.920 -17.819 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.404 -19.177 -10.548 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.050 -15.675 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.537 -17.033 -11.380 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.855 -15.280 -9.791 1.00 0.00 H new ATOM 548 N HIS A 41 13.465 -21.476 -6.117 1.00 0.00 N ATOM 549 CA HIS A 41 14.303 -22.669 -6.086 1.00 0.00 C ATOM 550 C HIS A 41 13.792 -23.668 -5.053 1.00 0.00 C ATOM 551 O HIS A 41 13.531 -23.310 -3.904 1.00 0.00 O ATOM 552 CB HIS A 41 15.752 -22.292 -5.773 1.00 0.00 C ATOM 553 CG HIS A 41 15.907 -21.520 -4.499 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.723 -21.930 -3.466 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.347 -20.356 -4.094 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.656 -21.053 -2.480 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.828 -20.088 -2.837 1.00 0.00 N ATOM 0 H HIS A 41 13.388 -20.992 -5.223 1.00 0.00 H new ATOM 0 HA HIS A 41 14.260 -23.137 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.351 -23.201 -5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.152 -21.701 -6.597 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.290 -22.778 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.651 -19.751 -4.656 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.188 -21.115 -1.542 1.00 0.00 H new ATOM 565 N ASP A 42 13.646 -24.921 -5.470 1.00 0.00 N ATOM 566 CA ASP A 42 13.165 -25.972 -4.581 1.00 0.00 C ATOM 567 C ASP A 42 11.841 -25.574 -3.936 1.00 0.00 C ATOM 568 O ASP A 42 11.627 -25.798 -2.745 1.00 0.00 O ATOM 569 CB ASP A 42 14.205 -26.270 -3.499 1.00 0.00 C ATOM 570 CG ASP A 42 15.608 -26.381 -4.060 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.833 -27.251 -4.927 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.483 -25.598 -3.632 1.00 0.00 O ATOM 0 H ASP A 42 13.854 -25.234 -6.418 1.00 0.00 H new ATOM 0 HA ASP A 42 13.003 -26.871 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.179 -25.481 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.944 -27.200 -2.995 1.00 0.00 H new ATOM 577 N ALA A 43 10.956 -24.980 -4.730 1.00 0.00 N ATOM 578 CA ALA A 43 9.653 -24.552 -4.237 1.00 0.00 C ATOM 579 C ALA A 43 9.793 -23.405 -3.242 1.00 0.00 C ATOM 580 O ALA A 43 8.816 -22.987 -2.619 1.00 0.00 O ATOM 581 CB ALA A 43 8.920 -25.722 -3.598 1.00 0.00 C ATOM 0 H ALA A 43 11.118 -24.784 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 43 9.070 -24.193 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.948 -25.388 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.779 -26.511 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.507 -26.107 -2.764 1.00 0.00 H new ATOM 587 N LEU A 44 11.014 -22.901 -3.095 1.00 0.00 N ATOM 588 CA LEU A 44 11.281 -21.802 -2.174 1.00 0.00 C ATOM 589 C LEU A 44 11.354 -20.472 -2.919 1.00 0.00 C ATOM 590 O LEU A 44 12.379 -20.134 -3.510 1.00 0.00 O ATOM 591 CB LEU A 44 12.590 -22.049 -1.421 1.00 0.00 C ATOM 592 CG LEU A 44 12.856 -23.494 -0.996 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.266 -23.635 -0.439 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.828 -23.946 0.030 1.00 0.00 C ATOM 0 H LEU A 44 11.834 -23.236 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 44 10.460 -21.752 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.416 -21.718 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.597 -21.422 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 44 12.768 -24.133 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.438 -24.669 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.989 -23.352 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.382 -22.984 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.033 -24.976 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.884 -23.303 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.830 -23.883 -0.403 1.00 0.00 H new ATOM 606 N LYS A 45 10.260 -19.720 -2.884 1.00 0.00 N ATOM 607 CA LYS A 45 10.198 -18.426 -3.552 1.00 0.00 C ATOM 608 C LYS A 45 10.771 -17.327 -2.662 1.00 0.00 C ATOM 609 O LYS A 45 10.251 -17.056 -1.581 1.00 0.00 O ATOM 610 CB LYS A 45 8.753 -18.090 -3.928 1.00 0.00 C ATOM 611 CG LYS A 45 8.087 -19.150 -4.789 1.00 0.00 C ATOM 612 CD LYS A 45 6.583 -18.946 -4.860 1.00 0.00 C ATOM 613 CE LYS A 45 5.860 -20.243 -5.190 1.00 0.00 C ATOM 614 NZ LYS A 45 5.830 -20.504 -6.656 1.00 0.00 N ATOM 0 H LYS A 45 9.403 -19.985 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 45 10.798 -18.485 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.171 -17.956 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.736 -17.139 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.507 -19.120 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.302 -20.138 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.222 -18.559 -3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.352 -18.196 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.353 -21.073 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.840 -20.197 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.329 -21.397 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.337 -19.725 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.803 -20.573 -7.016 1.00 0.00 H new ATOM 628 N GLY A 46 11.845 -16.696 -3.126 1.00 0.00 N ATOM 629 CA GLY A 46 12.470 -15.633 -2.361 1.00 0.00 C ATOM 630 C GLY A 46 13.090 -14.569 -3.245 1.00 0.00 C ATOM 631 O GLY A 46 12.625 -14.330 -4.359 1.00 0.00 O ATOM 0 H GLY A 46 12.294 -16.902 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.727 -15.172 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.239 -16.058 -1.716 1.00 0.00 H new ATOM 635 N TRP A 47 14.141 -13.927 -2.746 1.00 0.00 N ATOM 636 CA TRP A 47 14.823 -12.880 -3.499 1.00 0.00 C ATOM 637 C TRP A 47 16.337 -13.043 -3.407 1.00 0.00 C ATOM 638 O TRP A 47 16.856 -13.546 -2.411 1.00 0.00 O ATOM 639 CB TRP A 47 14.414 -11.501 -2.979 1.00 0.00 C ATOM 640 CG TRP A 47 12.938 -11.252 -3.052 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.987 -11.704 -2.182 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.245 -10.494 -4.050 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.744 -11.273 -2.579 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.875 -10.528 -3.721 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.649 -9.789 -5.187 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.910 -9.885 -4.491 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.688 -9.151 -5.949 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.333 -9.202 -5.599 1.00 0.00 C ATOM 0 H TRP A 47 14.539 -14.113 -1.825 1.00 0.00 H new ATOM 0 HA TRP A 47 14.529 -12.968 -4.545 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.742 -11.399 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.933 -10.735 -3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.183 -12.311 -1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.866 -11.475 -2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.692 -9.743 -5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.864 -9.924 -4.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.988 -8.603 -6.830 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.607 -8.692 -6.216 1.00 0.00 H new ATOM 659 N SER A 48 17.038 -12.616 -4.453 1.00 0.00 N ATOM 660 CA SER A 48 18.492 -12.719 -4.491 1.00 0.00 C ATOM 661 C SER A 48 19.138 -11.593 -3.689 1.00 0.00 C ATOM 662 O SER A 48 20.344 -11.368 -3.774 1.00 0.00 O ATOM 663 CB SER A 48 18.988 -12.680 -5.937 1.00 0.00 C ATOM 664 OG SER A 48 20.347 -13.078 -6.021 1.00 0.00 O ATOM 0 H SER A 48 16.623 -12.196 -5.285 1.00 0.00 H new ATOM 0 HA SER A 48 18.777 -13.670 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.374 -13.337 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.876 -11.672 -6.336 1.00 0.00 H new ATOM 0 HG SER A 48 20.854 -12.666 -5.291 1.00 0.00 H new ATOM 670 N CYS A 49 18.323 -10.888 -2.910 1.00 0.00 N ATOM 671 CA CYS A 49 18.812 -9.785 -2.092 1.00 0.00 C ATOM 672 C CYS A 49 19.024 -10.231 -0.648 1.00 0.00 C ATOM 673 O CYS A 49 20.087 -10.008 -0.068 1.00 0.00 O ATOM 674 CB CYS A 49 17.828 -8.614 -2.136 1.00 0.00 C ATOM 675 SG CYS A 49 16.090 -9.094 -1.873 1.00 0.00 S ATOM 0 H CYS A 49 17.321 -11.062 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 49 19.770 -9.461 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.112 -7.886 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.914 -8.117 -3.102 1.00 0.00 H new ATOM 680 N CYS A 50 18.007 -10.863 -0.074 1.00 0.00 N ATOM 681 CA CYS A 50 18.080 -11.340 1.301 1.00 0.00 C ATOM 682 C CYS A 50 18.036 -12.865 1.350 1.00 0.00 C ATOM 683 O CYS A 50 17.949 -13.529 0.317 1.00 0.00 O ATOM 684 CB CYS A 50 16.930 -10.760 2.127 1.00 0.00 C ATOM 685 SG CYS A 50 15.309 -10.830 1.297 1.00 0.00 S ATOM 0 H CYS A 50 17.121 -11.057 -0.541 1.00 0.00 H new ATOM 0 HA CYS A 50 19.027 -11.006 1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.866 -11.301 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.158 -9.722 2.369 1.00 0.00 H new ATOM 690 N LYS A 51 18.097 -13.414 2.559 1.00 0.00 N ATOM 691 CA LYS A 51 18.063 -14.860 2.745 1.00 0.00 C ATOM 692 C LYS A 51 16.629 -15.355 2.898 1.00 0.00 C ATOM 693 O LYS A 51 16.344 -16.533 2.682 1.00 0.00 O ATOM 694 CB LYS A 51 18.884 -15.256 3.974 1.00 0.00 C ATOM 695 CG LYS A 51 20.118 -14.395 4.184 1.00 0.00 C ATOM 696 CD LYS A 51 21.166 -15.116 5.017 1.00 0.00 C ATOM 697 CE LYS A 51 20.649 -15.427 6.413 1.00 0.00 C ATOM 698 NZ LYS A 51 20.847 -14.283 7.346 1.00 0.00 N ATOM 0 H LYS A 51 18.170 -12.879 3.424 1.00 0.00 H new ATOM 0 HA LYS A 51 18.497 -15.325 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.251 -15.192 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.190 -16.297 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.543 -14.125 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.835 -13.466 4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.454 -16.042 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.063 -14.500 5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.589 -15.674 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.162 -16.306 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.482 -14.535 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.861 -14.064 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.337 -13.451 6.988 1.00 0.00 H new ATOM 712 N ARG A 52 15.731 -14.449 3.270 1.00 0.00 N ATOM 713 CA ARG A 52 14.326 -14.795 3.451 1.00 0.00 C ATOM 714 C ARG A 52 13.847 -15.723 2.339 1.00 0.00 C ATOM 715 O ARG A 52 14.056 -15.451 1.157 1.00 0.00 O ATOM 716 CB ARG A 52 13.467 -13.529 3.479 1.00 0.00 C ATOM 717 CG ARG A 52 11.973 -13.807 3.452 1.00 0.00 C ATOM 718 CD ARG A 52 11.547 -14.677 4.625 1.00 0.00 C ATOM 719 NE ARG A 52 11.984 -14.124 5.904 1.00 0.00 N ATOM 720 CZ ARG A 52 12.000 -14.817 7.037 1.00 0.00 C ATOM 721 NH1 ARG A 52 11.604 -16.082 7.050 1.00 0.00 N ATOM 722 NH2 ARG A 52 12.411 -14.243 8.161 1.00 0.00 N ATOM 0 H ARG A 52 15.951 -13.470 3.452 1.00 0.00 H new ATOM 0 HA ARG A 52 14.225 -15.316 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.706 -12.958 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.727 -12.904 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.426 -12.865 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.711 -14.301 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.462 -14.778 4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.960 -15.678 4.503 1.00 0.00 H new ATOM 0 HE ARG A 52 12.294 -13.153 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.286 -16.526 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.617 -16.612 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.715 -13.269 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.423 -14.776 9.031 1.00 0.00 H new ATOM 736 N ARG A 53 13.205 -16.820 2.727 1.00 0.00 N ATOM 737 CA ARG A 53 12.698 -17.790 1.763 1.00 0.00 C ATOM 738 C ARG A 53 11.411 -18.437 2.268 1.00 0.00 C ATOM 739 O ARG A 53 11.306 -18.801 3.440 1.00 0.00 O ATOM 740 CB ARG A 53 13.750 -18.866 1.489 1.00 0.00 C ATOM 741 CG ARG A 53 13.715 -19.404 0.068 1.00 0.00 C ATOM 742 CD ARG A 53 14.476 -18.501 -0.889 1.00 0.00 C ATOM 743 NE ARG A 53 15.922 -18.641 -0.740 1.00 0.00 N ATOM 744 CZ ARG A 53 16.799 -17.769 -1.225 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.378 -16.700 -1.887 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.099 -17.966 -1.049 1.00 0.00 N ATOM 0 H ARG A 53 13.024 -17.060 3.702 1.00 0.00 H new ATOM 0 HA ARG A 53 12.478 -17.262 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.739 -18.454 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.603 -19.692 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.146 -20.405 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.680 -19.496 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.193 -18.738 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.192 -17.464 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 53 16.278 -19.453 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.379 -16.546 -2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.053 -16.032 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.426 -18.788 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.771 -17.296 -1.422 1.00 0.00 H new ATOM 760 N THR A 54 10.435 -18.577 1.377 1.00 0.00 N ATOM 761 CA THR A 54 9.156 -19.179 1.732 1.00 0.00 C ATOM 762 C THR A 54 8.549 -19.918 0.545 1.00 0.00 C ATOM 763 O THR A 54 8.709 -19.508 -0.605 1.00 0.00 O ATOM 764 CB THR A 54 8.156 -18.118 2.229 1.00 0.00 C ATOM 765 OG1 THR A 54 7.026 -18.757 2.835 1.00 0.00 O ATOM 766 CG2 THR A 54 7.691 -17.234 1.082 1.00 0.00 C ATOM 0 H THR A 54 10.506 -18.281 0.403 1.00 0.00 H new ATOM 0 HA THR A 54 9.351 -19.888 2.536 1.00 0.00 H new ATOM 0 HB THR A 54 8.659 -17.493 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.857 -18.358 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.986 -16.492 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.550 -16.728 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.204 -17.848 0.324 1.00 0.00 H new ATOM 774 N THR A 55 7.847 -21.011 0.831 1.00 0.00 N ATOM 775 CA THR A 55 7.215 -21.808 -0.213 1.00 0.00 C ATOM 776 C THR A 55 5.795 -21.325 -0.489 1.00 0.00 C ATOM 777 O THR A 55 5.280 -21.486 -1.596 1.00 0.00 O ATOM 778 CB THR A 55 7.172 -23.300 0.168 1.00 0.00 C ATOM 779 OG1 THR A 55 6.205 -23.514 1.203 1.00 0.00 O ATOM 780 CG2 THR A 55 8.538 -23.778 0.637 1.00 0.00 C ATOM 0 H THR A 55 7.702 -21.364 1.777 1.00 0.00 H new ATOM 0 HA THR A 55 7.819 -21.687 -1.112 1.00 0.00 H new ATOM 0 HB THR A 55 6.889 -23.870 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.183 -24.465 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.483 -24.834 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.266 -23.641 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.845 -23.202 1.510 1.00 0.00 H new ATOM 788 N ASP A 56 5.169 -20.733 0.522 1.00 0.00 N ATOM 789 CA ASP A 56 3.809 -20.224 0.386 1.00 0.00 C ATOM 790 C ASP A 56 3.780 -18.977 -0.492 1.00 0.00 C ATOM 791 O ASP A 56 4.168 -17.892 -0.060 1.00 0.00 O ATOM 792 CB ASP A 56 3.221 -19.908 1.762 1.00 0.00 C ATOM 793 CG ASP A 56 1.714 -20.068 1.798 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.196 -20.970 1.107 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.053 -19.291 2.518 1.00 0.00 O ATOM 0 H ASP A 56 5.581 -20.594 1.445 1.00 0.00 H new ATOM 0 HA ASP A 56 3.205 -20.996 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.671 -20.565 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.482 -18.887 2.040 1.00 0.00 H new ATOM 800 N PHE A 57 3.319 -19.141 -1.727 1.00 0.00 N ATOM 801 CA PHE A 57 3.241 -18.029 -2.668 1.00 0.00 C ATOM 802 C PHE A 57 2.747 -16.763 -1.974 1.00 0.00 C ATOM 803 O PHE A 57 3.177 -15.656 -2.296 1.00 0.00 O ATOM 804 CB PHE A 57 2.313 -18.382 -3.832 1.00 0.00 C ATOM 805 CG PHE A 57 2.500 -17.502 -5.035 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.056 -16.190 -5.026 1.00 0.00 C ATOM 807 CD2 PHE A 57 3.120 -17.987 -6.175 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.226 -15.378 -6.132 1.00 0.00 C ATOM 809 CE2 PHE A 57 3.293 -17.181 -7.284 1.00 0.00 C ATOM 810 CZ PHE A 57 2.846 -15.874 -7.262 1.00 0.00 C ATOM 0 H PHE A 57 2.994 -20.033 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 57 4.243 -17.842 -3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.483 -19.419 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.278 -18.310 -3.496 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.571 -15.797 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.472 -19.008 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.874 -14.357 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.777 -17.572 -8.167 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.981 -15.241 -8.127 1.00 0.00 H new ATOM 820 N SER A 58 1.837 -16.936 -1.020 1.00 0.00 N ATOM 821 CA SER A 58 1.279 -15.808 -0.282 1.00 0.00 C ATOM 822 C SER A 58 2.342 -15.152 0.593 1.00 0.00 C ATOM 823 O SER A 58 2.408 -13.927 0.695 1.00 0.00 O ATOM 824 CB SER A 58 0.102 -16.268 0.581 1.00 0.00 C ATOM 825 OG SER A 58 -0.626 -17.302 -0.058 1.00 0.00 O ATOM 0 H SER A 58 1.471 -17.846 -0.740 1.00 0.00 H new ATOM 0 HA SER A 58 0.924 -15.072 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.470 -16.620 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.558 -15.424 0.781 1.00 0.00 H new ATOM 0 HG SER A 58 -1.371 -17.579 0.515 1.00 0.00 H new ATOM 831 N ASP A 59 3.172 -15.977 1.224 1.00 0.00 N ATOM 832 CA ASP A 59 4.233 -15.478 2.091 1.00 0.00 C ATOM 833 C ASP A 59 5.304 -14.757 1.279 1.00 0.00 C ATOM 834 O ASP A 59 5.801 -13.706 1.683 1.00 0.00 O ATOM 835 CB ASP A 59 4.860 -16.630 2.878 1.00 0.00 C ATOM 836 CG ASP A 59 3.943 -17.157 3.964 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.759 -17.418 3.664 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.408 -17.307 5.113 1.00 0.00 O ATOM 0 H ASP A 59 3.130 -16.994 1.151 1.00 0.00 H new ATOM 0 HA ASP A 59 3.794 -14.767 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.110 -17.440 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.794 -16.293 3.327 1.00 0.00 H new ATOM 843 N PHE A 60 5.655 -15.330 0.132 1.00 0.00 N ATOM 844 CA PHE A 60 6.669 -14.743 -0.736 1.00 0.00 C ATOM 845 C PHE A 60 6.351 -13.281 -1.034 1.00 0.00 C ATOM 846 O PHE A 60 7.250 -12.445 -1.133 1.00 0.00 O ATOM 847 CB PHE A 60 6.769 -15.531 -2.044 1.00 0.00 C ATOM 848 CG PHE A 60 7.193 -14.694 -3.217 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.535 -14.494 -3.493 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.247 -14.108 -4.044 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.929 -13.724 -4.572 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.634 -13.339 -5.125 1.00 0.00 C ATOM 853 CZ PHE A 60 7.976 -13.145 -5.388 1.00 0.00 C ATOM 0 H PHE A 60 5.252 -16.200 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 60 7.626 -14.790 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.480 -16.347 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.801 -15.983 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.283 -14.945 -2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.196 -14.254 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.979 -13.576 -4.776 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.888 -12.890 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.280 -12.541 -6.230 1.00 0.00 H new ATOM 863 N LEU A 61 5.064 -12.979 -1.176 1.00 0.00 N ATOM 864 CA LEU A 61 4.625 -11.618 -1.463 1.00 0.00 C ATOM 865 C LEU A 61 4.616 -10.770 -0.196 1.00 0.00 C ATOM 866 O LEU A 61 4.611 -9.540 -0.259 1.00 0.00 O ATOM 867 CB LEU A 61 3.229 -11.633 -2.090 1.00 0.00 C ATOM 868 CG LEU A 61 3.028 -12.601 -3.256 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.548 -12.874 -3.474 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.662 -12.048 -4.524 1.00 0.00 C ATOM 0 H LEU A 61 4.307 -13.658 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 61 5.329 -11.177 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.506 -11.877 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.997 -10.626 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 61 3.518 -13.543 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.424 -13.565 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.122 -13.314 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.035 -11.939 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.509 -12.750 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.201 -11.092 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.731 -11.905 -4.364 1.00 0.00 H new ATOM 882 N SER A 62 4.616 -11.435 0.955 1.00 0.00 N ATOM 883 CA SER A 62 4.606 -10.742 2.238 1.00 0.00 C ATOM 884 C SER A 62 6.025 -10.391 2.677 1.00 0.00 C ATOM 885 O SER A 62 6.247 -9.388 3.356 1.00 0.00 O ATOM 886 CB SER A 62 3.931 -11.607 3.304 1.00 0.00 C ATOM 887 OG SER A 62 3.323 -10.805 4.302 1.00 0.00 O ATOM 0 H SER A 62 4.623 -12.453 1.025 1.00 0.00 H new ATOM 0 HA SER A 62 4.041 -9.817 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.180 -12.244 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.668 -12.266 3.762 1.00 0.00 H new ATOM 0 HG SER A 62 2.897 -11.381 4.971 1.00 0.00 H new ATOM 893 N ILE A 63 6.983 -11.225 2.284 1.00 0.00 N ATOM 894 CA ILE A 63 8.379 -11.003 2.635 1.00 0.00 C ATOM 895 C ILE A 63 8.705 -9.514 2.687 1.00 0.00 C ATOM 896 O ILE A 63 8.903 -8.875 1.654 1.00 0.00 O ATOM 897 CB ILE A 63 9.327 -11.689 1.634 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.214 -13.211 1.751 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.761 -11.240 1.869 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.803 -13.953 0.572 1.00 0.00 C ATOM 0 H ILE A 63 6.817 -12.060 1.722 1.00 0.00 H new ATOM 0 HA ILE A 63 8.528 -11.439 3.623 1.00 0.00 H new ATOM 0 HB ILE A 63 9.037 -11.398 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.717 -13.536 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.163 -13.482 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.419 -11.734 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.830 -10.160 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.064 -11.504 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.688 -15.026 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.285 -13.657 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.862 -13.711 0.482 1.00 0.00 H new ATOM 912 N VAL A 64 8.757 -8.967 3.897 1.00 0.00 N ATOM 913 CA VAL A 64 9.059 -7.553 4.085 1.00 0.00 C ATOM 914 C VAL A 64 10.420 -7.200 3.495 1.00 0.00 C ATOM 915 O VAL A 64 11.380 -7.958 3.626 1.00 0.00 O ATOM 916 CB VAL A 64 9.042 -7.169 5.576 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.793 -8.202 6.403 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.635 -5.782 5.775 1.00 0.00 C ATOM 0 H VAL A 64 8.594 -9.482 4.762 1.00 0.00 H new ATOM 0 HA VAL A 64 8.284 -6.991 3.565 1.00 0.00 H new ATOM 0 HB VAL A 64 8.007 -7.150 5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.770 -7.913 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.320 -9.177 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.828 -8.257 6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.615 -5.526 6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.665 -5.772 5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.050 -5.052 5.215 1.00 0.00 H new ATOM 928 N GLY A 65 10.497 -6.043 2.846 1.00 0.00 N ATOM 929 CA GLY A 65 11.744 -5.609 2.246 1.00 0.00 C ATOM 930 C GLY A 65 12.922 -5.758 3.188 1.00 0.00 C ATOM 931 O GLY A 65 12.792 -5.555 4.395 1.00 0.00 O ATOM 0 H GLY A 65 9.717 -5.398 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.930 -6.189 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.654 -4.566 1.943 1.00 0.00 H new ATOM 935 N CYS A 66 14.077 -6.115 2.636 1.00 0.00 N ATOM 936 CA CYS A 66 15.285 -6.294 3.434 1.00 0.00 C ATOM 937 C CYS A 66 16.177 -5.059 3.355 1.00 0.00 C ATOM 938 O CYS A 66 17.106 -4.898 4.147 1.00 0.00 O ATOM 939 CB CYS A 66 16.056 -7.526 2.960 1.00 0.00 C ATOM 940 SG CYS A 66 16.647 -7.418 1.241 1.00 0.00 S ATOM 0 H CYS A 66 14.202 -6.286 1.638 1.00 0.00 H new ATOM 0 HA CYS A 66 14.987 -6.438 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.911 -7.681 3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.415 -8.402 3.058 1.00 0.00 H new ATOM 945 N THR A 67 15.889 -4.188 2.392 1.00 0.00 N ATOM 946 CA THR A 67 16.666 -2.968 2.208 1.00 0.00 C ATOM 947 C THR A 67 15.868 -1.740 2.631 1.00 0.00 C ATOM 948 O THR A 67 14.648 -1.800 2.782 1.00 0.00 O ATOM 949 CB THR A 67 17.106 -2.800 0.741 1.00 0.00 C ATOM 950 OG1 THR A 67 17.869 -3.938 0.325 1.00 0.00 O ATOM 951 CG2 THR A 67 17.935 -1.536 0.568 1.00 0.00 C ATOM 0 H THR A 67 15.124 -4.305 1.728 1.00 0.00 H new ATOM 0 HA THR A 67 17.551 -3.057 2.838 1.00 0.00 H new ATOM 0 HB THR A 67 16.212 -2.718 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.816 -3.693 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.235 -1.437 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.342 -0.669 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.823 -1.595 1.197 1.00 0.00 H new ATOM 959 N LYS A 68 16.566 -0.625 2.822 1.00 0.00 N ATOM 960 CA LYS A 68 15.924 0.620 3.226 1.00 0.00 C ATOM 961 C LYS A 68 16.306 1.760 2.287 1.00 0.00 C ATOM 962 O LYS A 68 17.446 1.847 1.834 1.00 0.00 O ATOM 963 CB LYS A 68 16.313 0.976 4.663 1.00 0.00 C ATOM 964 CG LYS A 68 15.465 0.280 5.713 1.00 0.00 C ATOM 965 CD LYS A 68 14.241 1.104 6.078 1.00 0.00 C ATOM 966 CE LYS A 68 13.418 0.429 7.164 1.00 0.00 C ATOM 967 NZ LYS A 68 12.441 1.367 7.782 1.00 0.00 N ATOM 0 H LYS A 68 17.577 -0.559 2.703 1.00 0.00 H new ATOM 0 HA LYS A 68 14.845 0.476 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.359 0.716 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.229 2.055 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.150 -0.695 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.064 0.102 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.554 2.091 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.624 1.253 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.886 -0.423 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.083 0.038 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.453 1.250 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.699 2.345 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.487 1.162 7.421 1.00 0.00 H new ATOM 981 N GLY A 69 15.345 2.633 2.001 1.00 0.00 N ATOM 982 CA GLY A 69 15.602 3.756 1.119 1.00 0.00 C ATOM 983 C GLY A 69 14.389 4.649 0.949 1.00 0.00 C ATOM 984 O GLY A 69 13.521 4.701 1.820 1.00 0.00 O ATOM 0 H GLY A 69 14.393 2.582 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.429 4.344 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.915 3.384 0.143 1.00 0.00 H new ATOM 988 N ARG A 70 14.330 5.356 -0.175 1.00 0.00 N ATOM 989 CA ARG A 70 13.215 6.253 -0.455 1.00 0.00 C ATOM 990 C ARG A 70 12.260 5.634 -1.472 1.00 0.00 C ATOM 991 O ARG A 70 12.677 5.196 -2.545 1.00 0.00 O ATOM 992 CB ARG A 70 13.733 7.595 -0.977 1.00 0.00 C ATOM 993 CG ARG A 70 14.984 8.083 -0.266 1.00 0.00 C ATOM 994 CD ARG A 70 15.417 9.449 -0.777 1.00 0.00 C ATOM 995 NE ARG A 70 16.389 9.344 -1.862 1.00 0.00 N ATOM 996 CZ ARG A 70 16.053 9.208 -3.139 1.00 0.00 C ATOM 997 NH1 ARG A 70 14.775 9.160 -3.490 1.00 0.00 N ATOM 998 NH2 ARG A 70 16.995 9.119 -4.069 1.00 0.00 N ATOM 0 H ARG A 70 15.041 5.325 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 70 12.671 6.417 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.943 7.504 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.949 8.344 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.797 8.137 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.791 7.365 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.543 10.000 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.849 10.023 0.043 1.00 0.00 H new ATOM 0 HE ARG A 70 17.381 9.377 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.048 9.228 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.519 9.055 -4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.979 9.155 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.735 9.015 -5.050 1.00 0.00 H new ATOM 1012 N HIS A 71 10.977 5.600 -1.127 1.00 0.00 N ATOM 1013 CA HIS A 71 9.964 5.034 -2.009 1.00 0.00 C ATOM 1014 C HIS A 71 10.122 5.565 -3.430 1.00 0.00 C ATOM 1015 O HIS A 71 10.424 6.740 -3.634 1.00 0.00 O ATOM 1016 CB HIS A 71 8.563 5.357 -1.485 1.00 0.00 C ATOM 1017 CG HIS A 71 8.323 4.882 -0.085 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.663 3.707 0.207 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.660 5.428 1.106 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.603 3.553 1.518 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.201 4.584 2.087 1.00 0.00 N ATOM 0 H HIS A 71 10.615 5.958 -0.243 1.00 0.00 H new ATOM 0 HA HIS A 71 10.097 3.952 -2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.409 6.435 -1.526 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.824 4.904 -2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.192 6.356 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.143 2.725 2.036 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.305 4.730 3.091 1.00 0.00 H new ATOM 1029 N ASN A 72 9.917 4.691 -4.410 1.00 0.00 N ATOM 1030 CA ASN A 72 10.039 5.071 -5.812 1.00 0.00 C ATOM 1031 C ASN A 72 8.674 5.404 -6.407 1.00 0.00 C ATOM 1032 O ASN A 72 7.849 4.517 -6.624 1.00 0.00 O ATOM 1033 CB ASN A 72 10.696 3.945 -6.613 1.00 0.00 C ATOM 1034 CG ASN A 72 12.188 3.847 -6.356 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.705 4.429 -5.402 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.887 3.109 -7.210 1.00 0.00 N ATOM 0 H ASN A 72 9.665 3.714 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 72 10.666 5.961 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.223 2.997 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.523 4.111 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.895 3.006 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.416 2.644 -7.987 1.00 0.00 H new ATOM 1043 N SER A 73 8.445 6.687 -6.668 1.00 0.00 N ATOM 1044 CA SER A 73 7.179 7.137 -7.235 1.00 0.00 C ATOM 1045 C SER A 73 7.174 6.975 -8.752 1.00 0.00 C ATOM 1046 O SER A 73 6.340 7.555 -9.445 1.00 0.00 O ATOM 1047 CB SER A 73 6.922 8.600 -6.866 1.00 0.00 C ATOM 1048 OG SER A 73 7.800 9.464 -7.567 1.00 0.00 O ATOM 0 H SER A 73 9.119 7.433 -6.496 1.00 0.00 H new ATOM 0 HA SER A 73 6.383 6.519 -6.819 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.889 8.861 -7.097 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.053 8.736 -5.792 1.00 0.00 H new ATOM 0 HG SER A 73 7.615 10.393 -7.315 1.00 0.00 H new ATOM 1054 N GLU A 74 8.113 6.181 -9.259 1.00 0.00 N ATOM 1055 CA GLU A 74 8.217 5.943 -10.693 1.00 0.00 C ATOM 1056 C GLU A 74 8.458 4.464 -10.983 1.00 0.00 C ATOM 1057 O GLU A 74 9.300 3.825 -10.353 1.00 0.00 O ATOM 1058 CB GLU A 74 9.349 6.782 -11.291 1.00 0.00 C ATOM 1059 CG GLU A 74 9.116 8.280 -11.188 1.00 0.00 C ATOM 1060 CD GLU A 74 10.356 9.087 -11.519 1.00 0.00 C ATOM 1061 OE1 GLU A 74 11.469 8.530 -11.421 1.00 0.00 O ATOM 1062 OE2 GLU A 74 10.214 10.275 -11.875 1.00 0.00 O ATOM 0 H GLU A 74 8.811 5.693 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 74 7.274 6.237 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.281 6.532 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.474 6.513 -12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.310 8.566 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.787 8.524 -10.178 1.00 0.00 H new ATOM 1069 N LYS A 75 7.712 3.926 -11.942 1.00 0.00 N ATOM 1070 CA LYS A 75 7.842 2.523 -12.317 1.00 0.00 C ATOM 1071 C LYS A 75 9.261 2.216 -12.785 1.00 0.00 C ATOM 1072 O LYS A 75 9.483 2.092 -13.989 1.00 0.00 O ATOM 1073 CB LYS A 75 6.842 2.175 -13.422 1.00 0.00 C ATOM 1074 CG LYS A 75 5.394 2.402 -13.026 1.00 0.00 C ATOM 1075 CD LYS A 75 4.488 2.480 -14.243 1.00 0.00 C ATOM 1076 CE LYS A 75 3.023 2.346 -13.857 1.00 0.00 C ATOM 1077 NZ LYS A 75 2.127 2.425 -15.044 1.00 0.00 N ATOM 0 H LYS A 75 7.010 4.441 -12.474 1.00 0.00 H new ATOM 0 HA LYS A 75 7.628 1.915 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.066 2.773 -14.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.973 1.130 -13.703 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.063 1.592 -12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.313 3.325 -12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.645 3.430 -14.755 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.754 1.691 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.867 1.395 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.760 3.133 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.137 2.329 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.257 3.342 -15.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.360 1.658 -15.707 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.356 2.104 -0.546 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.164 -8.915 0.124 1.00 0.00 ZN