USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 776 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 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 57 HIS : no HE2:sc= -5.73! K(o=-6!,f=-5.3) USER MOD Set 1.2: A 59 TYR OH : rot 5:sc= -0.216 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.606 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 41:sc= 0.609 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -50:sc= 0.158 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.689 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 0.506 (180deg=0.23) USER MOD Single : A 32 SER OG : rot -63:sc= 0.0591 USER MOD Single : A 34 SER OG : rot 30:sc= 0.847 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -106:sc= 0.808 USER MOD Single : A 42 MET CE :methyl 152:sc= -0.395 (180deg=-1.97!) USER MOD Single : A 45 MET CE :methyl 151:sc= -1.9 (180deg=-3.58!) USER MOD Single : A 47 GLN : amide:sc= -2.35! C(o=-2.3!,f=-6.5!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.185 (180deg=-0.467) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.8) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.377 K(o=0.38,f=-0.14) USER MOD Single : A 90 GLN : amide:sc= -0.0245 X(o=-0.025,f=-0.029) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 72:sc= 0.895 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 10:sc= 0.838 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.064 0.555 20.483 1.00 0.00 N ATOM 2 CA GLY A 1 -14.456 1.834 20.167 1.00 0.00 C ATOM 3 C GLY A 1 -12.964 1.722 19.922 1.00 0.00 C ATOM 4 O GLY A 1 -12.379 0.653 20.094 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.780 0.324 19.765 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.333 -0.184 20.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.516 0.607 21.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.936 2.252 19.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.635 2.530 20.986 1.00 0.00 H new ATOM 8 N SER A 2 -12.348 2.828 19.518 1.00 0.00 N ATOM 9 CA SER A 2 -10.915 2.848 19.244 1.00 0.00 C ATOM 10 C SER A 2 -10.375 4.274 19.281 1.00 0.00 C ATOM 11 O SER A 2 -11.025 5.209 18.813 1.00 0.00 O ATOM 12 CB SER A 2 -10.627 2.217 17.881 1.00 0.00 C ATOM 13 OG SER A 2 -10.421 0.820 17.999 1.00 0.00 O ATOM 0 H SER A 2 -12.818 3.722 19.373 1.00 0.00 H new ATOM 0 HA SER A 2 -10.413 2.268 20.019 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.460 2.409 17.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.745 2.682 17.441 1.00 0.00 H new ATOM 0 HG SER A 2 -10.993 0.464 18.711 1.00 0.00 H new ATOM 19 N SER A 3 -9.181 4.433 19.842 1.00 0.00 N ATOM 20 CA SER A 3 -8.553 5.746 19.945 1.00 0.00 C ATOM 21 C SER A 3 -7.124 5.708 19.411 1.00 0.00 C ATOM 22 O SER A 3 -6.595 4.643 19.096 1.00 0.00 O ATOM 23 CB SER A 3 -8.554 6.222 21.399 1.00 0.00 C ATOM 24 OG SER A 3 -9.875 6.437 21.864 1.00 0.00 O ATOM 0 H SER A 3 -8.629 3.670 20.232 1.00 0.00 H new ATOM 0 HA SER A 3 -9.130 6.446 19.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.060 5.481 22.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.981 7.145 21.483 1.00 0.00 H new ATOM 0 HG SER A 3 -9.849 6.739 22.796 1.00 0.00 H new ATOM 30 N GLY A 4 -6.505 6.880 19.313 1.00 0.00 N ATOM 31 CA GLY A 4 -5.143 6.960 18.817 1.00 0.00 C ATOM 32 C GLY A 4 -4.727 8.381 18.493 1.00 0.00 C ATOM 33 O GLY A 4 -4.185 9.086 19.345 1.00 0.00 O ATOM 0 H GLY A 4 -6.922 7.775 19.568 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.463 6.547 19.562 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.048 6.344 17.923 1.00 0.00 H new ATOM 37 N SER A 5 -4.978 8.803 17.258 1.00 0.00 N ATOM 38 CA SER A 5 -4.621 10.147 16.822 1.00 0.00 C ATOM 39 C SER A 5 -3.133 10.411 17.037 1.00 0.00 C ATOM 40 O SER A 5 -2.740 11.490 17.480 1.00 0.00 O ATOM 41 CB SER A 5 -5.449 11.189 17.577 1.00 0.00 C ATOM 42 OG SER A 5 -6.800 11.173 17.151 1.00 0.00 O ATOM 0 H SER A 5 -5.427 8.233 16.542 1.00 0.00 H new ATOM 0 HA SER A 5 -4.836 10.225 15.756 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.400 10.991 18.648 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.026 12.180 17.416 1.00 0.00 H new ATOM 0 HG SER A 5 -7.308 11.846 17.650 1.00 0.00 H new ATOM 48 N SER A 6 -2.311 9.416 16.718 1.00 0.00 N ATOM 49 CA SER A 6 -0.866 9.538 16.880 1.00 0.00 C ATOM 50 C SER A 6 -0.139 9.095 15.614 1.00 0.00 C ATOM 51 O SER A 6 -0.725 8.458 14.738 1.00 0.00 O ATOM 52 CB SER A 6 -0.393 8.703 18.071 1.00 0.00 C ATOM 53 OG SER A 6 -0.847 7.364 17.969 1.00 0.00 O ATOM 0 H SER A 6 -2.620 8.518 16.346 1.00 0.00 H new ATOM 0 HA SER A 6 -0.633 10.587 17.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.696 8.718 18.120 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.760 9.145 18.997 1.00 0.00 H new ATOM 0 HG SER A 6 -0.530 6.851 18.742 1.00 0.00 H new ATOM 59 N GLY A 7 1.142 9.437 15.524 1.00 0.00 N ATOM 60 CA GLY A 7 1.929 9.068 14.362 1.00 0.00 C ATOM 61 C GLY A 7 3.209 9.872 14.249 1.00 0.00 C ATOM 62 O GLY A 7 3.369 10.894 14.916 1.00 0.00 O ATOM 0 H GLY A 7 1.649 9.963 16.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.174 8.007 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.332 9.213 13.462 1.00 0.00 H new ATOM 66 N MET A 8 4.124 9.410 13.403 1.00 0.00 N ATOM 67 CA MET A 8 5.396 10.095 13.205 1.00 0.00 C ATOM 68 C MET A 8 5.423 10.815 11.861 1.00 0.00 C ATOM 69 O MET A 8 4.876 10.326 10.873 1.00 0.00 O ATOM 70 CB MET A 8 6.554 9.097 13.286 1.00 0.00 C ATOM 71 CG MET A 8 6.680 8.213 12.056 1.00 0.00 C ATOM 72 SD MET A 8 5.521 6.832 12.072 1.00 0.00 S ATOM 73 CE MET A 8 6.489 5.586 12.919 1.00 0.00 C ATOM 0 H MET A 8 4.008 8.565 12.844 1.00 0.00 H new ATOM 0 HA MET A 8 5.508 10.837 13.996 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.486 9.645 13.427 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.419 8.466 14.165 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.511 8.814 11.163 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.698 7.828 11.993 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.906 4.669 13.007 1.00 0.00 H new ATOM 0 HE2 MET A 8 7.398 5.385 12.353 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.753 5.944 13.914 1.00 0.00 H new ATOM 83 N ALA A 9 6.063 11.980 11.832 1.00 0.00 N ATOM 84 CA ALA A 9 6.162 12.766 10.609 1.00 0.00 C ATOM 85 C ALA A 9 7.416 12.401 9.821 1.00 0.00 C ATOM 86 O ALA A 9 8.507 12.892 10.112 1.00 0.00 O ATOM 87 CB ALA A 9 6.156 14.253 10.935 1.00 0.00 C ATOM 0 H ALA A 9 6.520 12.400 12.641 1.00 0.00 H new ATOM 0 HA ALA A 9 5.295 12.537 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.231 14.828 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.229 14.509 11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.004 14.488 11.578 1.00 0.00 H new ATOM 93 N GLU A 10 7.253 11.537 8.824 1.00 0.00 N ATOM 94 CA GLU A 10 8.373 11.106 7.997 1.00 0.00 C ATOM 95 C GLU A 10 8.436 11.913 6.703 1.00 0.00 C ATOM 96 O GLU A 10 7.519 11.865 5.884 1.00 0.00 O ATOM 97 CB GLU A 10 8.255 9.615 7.676 1.00 0.00 C ATOM 98 CG GLU A 10 8.793 8.711 8.772 1.00 0.00 C ATOM 99 CD GLU A 10 8.171 7.329 8.747 1.00 0.00 C ATOM 100 OE1 GLU A 10 6.926 7.238 8.805 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.927 6.338 8.670 1.00 0.00 O ATOM 0 H GLU A 10 6.356 11.122 8.570 1.00 0.00 H new ATOM 0 HA GLU A 10 9.292 11.278 8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.207 9.372 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.792 9.408 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.874 8.621 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.606 9.172 9.742 1.00 0.00 H new ATOM 108 N SER A 11 9.526 12.654 6.527 1.00 0.00 N ATOM 109 CA SER A 11 9.708 13.475 5.336 1.00 0.00 C ATOM 110 C SER A 11 9.335 12.696 4.078 1.00 0.00 C ATOM 111 O SER A 11 10.108 11.868 3.595 1.00 0.00 O ATOM 112 CB SER A 11 11.156 13.958 5.240 1.00 0.00 C ATOM 113 OG SER A 11 12.060 12.867 5.260 1.00 0.00 O ATOM 0 H SER A 11 10.296 12.702 7.194 1.00 0.00 H new ATOM 0 HA SER A 11 9.049 14.340 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.292 14.530 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.374 14.630 6.070 1.00 0.00 H new ATOM 0 HG SER A 11 11.703 12.136 4.713 1.00 0.00 H new ATOM 119 N SER A 12 8.146 12.969 3.551 1.00 0.00 N ATOM 120 CA SER A 12 7.667 12.292 2.351 1.00 0.00 C ATOM 121 C SER A 12 6.792 13.221 1.516 1.00 0.00 C ATOM 122 O SER A 12 5.989 13.985 2.053 1.00 0.00 O ATOM 123 CB SER A 12 6.881 11.035 2.728 1.00 0.00 C ATOM 124 OG SER A 12 6.973 10.052 1.711 1.00 0.00 O ATOM 0 H SER A 12 7.496 13.654 3.936 1.00 0.00 H new ATOM 0 HA SER A 12 8.534 12.005 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.264 10.630 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.835 11.293 2.896 1.00 0.00 H new ATOM 0 HG SER A 12 6.464 9.258 1.977 1.00 0.00 H new ATOM 130 N ASP A 13 6.954 13.150 0.199 1.00 0.00 N ATOM 131 CA ASP A 13 6.178 13.984 -0.712 1.00 0.00 C ATOM 132 C ASP A 13 5.318 13.126 -1.635 1.00 0.00 C ATOM 133 O ASP A 13 4.773 13.613 -2.625 1.00 0.00 O ATOM 134 CB ASP A 13 7.108 14.872 -1.541 1.00 0.00 C ATOM 135 CG ASP A 13 8.362 14.144 -1.983 1.00 0.00 C ATOM 136 OD1 ASP A 13 9.270 13.965 -1.146 1.00 0.00 O ATOM 137 OD2 ASP A 13 8.435 13.753 -3.167 1.00 0.00 O ATOM 0 H ASP A 13 7.615 12.524 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 13 5.520 14.616 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.573 15.234 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.387 15.748 -0.955 1.00 0.00 H new ATOM 142 N LYS A 14 5.202 11.844 -1.304 1.00 0.00 N ATOM 143 CA LYS A 14 4.409 10.916 -2.102 1.00 0.00 C ATOM 144 C LYS A 14 2.924 11.054 -1.780 1.00 0.00 C ATOM 145 O LYS A 14 2.539 11.816 -0.892 1.00 0.00 O ATOM 146 CB LYS A 14 4.865 9.477 -1.851 1.00 0.00 C ATOM 147 CG LYS A 14 6.337 9.245 -2.145 1.00 0.00 C ATOM 148 CD LYS A 14 6.558 8.826 -3.589 1.00 0.00 C ATOM 149 CE LYS A 14 7.959 9.180 -4.064 1.00 0.00 C ATOM 150 NZ LYS A 14 8.050 10.596 -4.517 1.00 0.00 N ATOM 0 H LYS A 14 5.647 11.424 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 14 4.559 11.160 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.666 9.218 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.270 8.803 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.898 10.157 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.725 8.475 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.401 7.752 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.822 9.315 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.670 9.011 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.243 8.518 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.020 10.798 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.390 10.751 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.804 11.229 -3.729 1.00 0.00 H new ATOM 164 N LEU A 15 2.095 10.312 -2.506 1.00 0.00 N ATOM 165 CA LEU A 15 0.652 10.350 -2.296 1.00 0.00 C ATOM 166 C LEU A 15 0.142 9.010 -1.774 1.00 0.00 C ATOM 167 O LEU A 15 -0.692 8.962 -0.870 1.00 0.00 O ATOM 168 CB LEU A 15 -0.063 10.707 -3.601 1.00 0.00 C ATOM 169 CG LEU A 15 -0.249 12.199 -3.877 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.516 12.439 -5.355 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.382 12.761 -3.031 1.00 0.00 C ATOM 0 H LEU A 15 2.397 9.677 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 15 0.438 11.115 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.496 10.272 -4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.045 10.234 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 15 0.671 12.716 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.646 13.507 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.327 12.074 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.421 11.909 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.500 13.824 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.308 12.239 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.150 12.623 -1.975 1.00 0.00 H new ATOM 183 N TYR A 16 0.651 7.925 -2.347 1.00 0.00 N ATOM 184 CA TYR A 16 0.247 6.585 -1.940 1.00 0.00 C ATOM 185 C TYR A 16 1.374 5.880 -1.191 1.00 0.00 C ATOM 186 O TYR A 16 2.547 6.220 -1.350 1.00 0.00 O ATOM 187 CB TYR A 16 -0.164 5.760 -3.160 1.00 0.00 C ATOM 188 CG TYR A 16 -1.092 6.493 -4.103 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.395 6.796 -3.730 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.664 6.884 -5.365 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.246 7.465 -4.588 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.507 7.555 -6.230 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.798 7.843 -5.837 1.00 0.00 C ATOM 194 OH TYR A 16 -3.642 8.511 -6.694 1.00 0.00 O ATOM 0 H TYR A 16 1.344 7.948 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.607 6.679 -1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.732 5.461 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.651 4.845 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.749 6.504 -2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.346 6.660 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.257 7.691 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.158 7.852 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.171 8.705 -7.531 1.00 0.00 H new ATOM 204 N ARG A 17 1.010 4.896 -0.376 1.00 0.00 N ATOM 205 CA ARG A 17 1.989 4.143 0.398 1.00 0.00 C ATOM 206 C ARG A 17 1.532 2.701 0.597 1.00 0.00 C ATOM 207 O ARG A 17 0.581 2.435 1.332 1.00 0.00 O ATOM 208 CB ARG A 17 2.218 4.808 1.756 1.00 0.00 C ATOM 209 CG ARG A 17 3.175 4.043 2.656 1.00 0.00 C ATOM 210 CD ARG A 17 3.379 4.753 3.985 1.00 0.00 C ATOM 211 NE ARG A 17 4.016 6.056 3.817 1.00 0.00 N ATOM 212 CZ ARG A 17 4.231 6.903 4.818 1.00 0.00 C ATOM 213 NH1 ARG A 17 3.864 6.584 6.051 1.00 0.00 N ATOM 214 NH2 ARG A 17 4.817 8.071 4.586 1.00 0.00 N ATOM 0 H ARG A 17 0.044 4.601 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 17 2.926 4.136 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.607 5.814 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.260 4.914 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.786 3.041 2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.135 3.927 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.416 4.881 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.992 4.131 4.638 1.00 0.00 H new ATOM 0 HE ARG A 17 4.312 6.331 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.415 5.686 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.030 7.236 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.103 8.319 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.982 8.721 5.355 1.00 0.00 H new ATOM 228 N VAL A 18 2.216 1.772 -0.065 1.00 0.00 N ATOM 229 CA VAL A 18 1.881 0.357 0.039 1.00 0.00 C ATOM 230 C VAL A 18 2.860 -0.374 0.951 1.00 0.00 C ATOM 231 O VAL A 18 4.074 -0.222 0.822 1.00 0.00 O ATOM 232 CB VAL A 18 1.878 -0.322 -1.343 1.00 0.00 C ATOM 233 CG1 VAL A 18 3.294 -0.429 -1.889 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.225 -1.694 -1.261 1.00 0.00 C ATOM 0 H VAL A 18 3.005 1.975 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 18 0.880 0.299 0.466 1.00 0.00 H new ATOM 0 HB VAL A 18 1.295 0.293 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.272 -0.911 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.723 0.568 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.904 -1.021 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.231 -2.160 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.779 -2.319 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.196 -1.587 -0.917 1.00 0.00 H new ATOM 244 N GLU A 19 2.323 -1.169 1.871 1.00 0.00 N ATOM 245 CA GLU A 19 3.151 -1.923 2.805 1.00 0.00 C ATOM 246 C GLU A 19 2.326 -2.986 3.526 1.00 0.00 C ATOM 247 O GLU A 19 1.127 -2.814 3.745 1.00 0.00 O ATOM 248 CB GLU A 19 3.795 -0.983 3.825 1.00 0.00 C ATOM 249 CG GLU A 19 2.794 -0.302 4.743 1.00 0.00 C ATOM 250 CD GLU A 19 3.288 1.037 5.254 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.113 1.669 4.562 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.847 1.454 6.346 1.00 0.00 O ATOM 0 H GLU A 19 1.319 -1.308 1.990 1.00 0.00 H new ATOM 0 HA GLU A 19 3.936 -2.420 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.504 -1.548 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.365 -0.221 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.855 -0.159 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.582 -0.954 5.590 1.00 0.00 H new ATOM 259 N TYR A 20 2.978 -4.084 3.893 1.00 0.00 N ATOM 260 CA TYR A 20 2.306 -5.176 4.587 1.00 0.00 C ATOM 261 C TYR A 20 1.765 -4.713 5.936 1.00 0.00 C ATOM 262 O TYR A 20 2.523 -4.503 6.882 1.00 0.00 O ATOM 263 CB TYR A 20 3.267 -6.349 4.786 1.00 0.00 C ATOM 264 CG TYR A 20 3.993 -6.758 3.524 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.293 -7.218 2.415 1.00 0.00 C ATOM 266 CD2 TYR A 20 5.378 -6.685 3.441 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.952 -7.594 1.260 1.00 0.00 C ATOM 268 CE2 TYR A 20 6.045 -7.057 2.289 1.00 0.00 C ATOM 269 CZ TYR A 20 5.328 -7.511 1.202 1.00 0.00 C ATOM 270 OH TYR A 20 5.989 -7.883 0.054 1.00 0.00 O ATOM 0 H TYR A 20 3.971 -4.241 3.721 1.00 0.00 H new ATOM 0 HA TYR A 20 1.467 -5.502 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.001 -6.082 5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.709 -7.204 5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.216 -7.283 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.943 -6.332 4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.393 -7.951 0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.122 -6.992 2.240 1.00 0.00 H new ATOM 0 HH TYR A 20 5.678 -8.768 -0.230 1.00 0.00 H new ATOM 280 N ALA A 21 0.448 -4.557 6.015 1.00 0.00 N ATOM 281 CA ALA A 21 -0.197 -4.121 7.248 1.00 0.00 C ATOM 282 C ALA A 21 0.528 -4.673 8.471 1.00 0.00 C ATOM 283 O ALA A 21 0.957 -5.827 8.484 1.00 0.00 O ATOM 284 CB ALA A 21 -1.657 -4.549 7.260 1.00 0.00 C ATOM 0 H ALA A 21 -0.193 -4.726 5.240 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.149 -3.033 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.126 -4.217 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.174 -4.102 6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.718 -5.635 7.191 1.00 0.00 H new ATOM 290 N LYS A 22 0.663 -3.841 9.499 1.00 0.00 N ATOM 291 CA LYS A 22 1.335 -4.245 10.727 1.00 0.00 C ATOM 292 C LYS A 22 0.327 -4.719 11.769 1.00 0.00 C ATOM 293 O LYS A 22 0.552 -5.714 12.458 1.00 0.00 O ATOM 294 CB LYS A 22 2.157 -3.083 11.289 1.00 0.00 C ATOM 295 CG LYS A 22 3.421 -2.794 10.498 1.00 0.00 C ATOM 296 CD LYS A 22 4.539 -3.757 10.861 1.00 0.00 C ATOM 297 CE LYS A 22 5.899 -3.210 10.458 1.00 0.00 C ATOM 298 NZ LYS A 22 6.466 -2.310 11.500 1.00 0.00 N ATOM 0 H LYS A 22 0.315 -2.882 9.505 1.00 0.00 H new ATOM 0 HA LYS A 22 2.003 -5.073 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.537 -2.186 11.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.427 -3.306 12.321 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.208 -2.867 9.431 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.745 -1.771 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.525 -3.944 11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.370 -4.714 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.585 -4.038 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.807 -2.665 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.393 -1.958 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.824 -1.506 11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.578 -2.836 12.390 1.00 0.00 H new ATOM 312 N SER A 23 -0.786 -4.000 11.878 1.00 0.00 N ATOM 313 CA SER A 23 -1.828 -4.346 12.838 1.00 0.00 C ATOM 314 C SER A 23 -3.206 -4.294 12.186 1.00 0.00 C ATOM 315 O SER A 23 -3.486 -3.418 11.369 1.00 0.00 O ATOM 316 CB SER A 23 -1.783 -3.397 14.037 1.00 0.00 C ATOM 317 OG SER A 23 -1.661 -2.049 13.615 1.00 0.00 O ATOM 0 H SER A 23 -0.989 -3.175 11.314 1.00 0.00 H new ATOM 0 HA SER A 23 -1.646 -5.364 13.183 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.688 -3.515 14.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.942 -3.658 14.680 1.00 0.00 H new ATOM 0 HG SER A 23 -1.636 -1.462 14.399 1.00 0.00 H new ATOM 323 N GLY A 24 -4.065 -5.241 12.553 1.00 0.00 N ATOM 324 CA GLY A 24 -5.403 -5.286 11.995 1.00 0.00 C ATOM 325 C GLY A 24 -6.331 -4.269 12.630 1.00 0.00 C ATOM 326 O GLY A 24 -7.470 -4.587 12.973 1.00 0.00 O ATOM 0 H GLY A 24 -3.857 -5.978 13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.352 -5.106 10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.817 -6.285 12.131 1.00 0.00 H new ATOM 330 N ARG A 25 -5.843 -3.043 12.789 1.00 0.00 N ATOM 331 CA ARG A 25 -6.635 -1.978 13.390 1.00 0.00 C ATOM 332 C ARG A 25 -7.166 -1.026 12.322 1.00 0.00 C ATOM 333 O ARG A 25 -8.298 -0.551 12.406 1.00 0.00 O ATOM 334 CB ARG A 25 -5.798 -1.202 14.409 1.00 0.00 C ATOM 335 CG ARG A 25 -4.583 -0.518 13.803 1.00 0.00 C ATOM 336 CD ARG A 25 -4.023 0.547 14.733 1.00 0.00 C ATOM 337 NE ARG A 25 -2.681 0.968 14.338 1.00 0.00 N ATOM 338 CZ ARG A 25 -1.953 1.841 15.025 1.00 0.00 C ATOM 339 NH1 ARG A 25 -2.434 2.383 16.135 1.00 0.00 N ATOM 340 NH2 ARG A 25 -0.740 2.173 14.601 1.00 0.00 N ATOM 0 H ARG A 25 -4.903 -2.763 12.510 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.483 -2.435 13.900 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.427 -0.451 14.887 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.468 -1.885 15.191 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.813 -1.260 13.593 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.857 -0.064 12.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.688 1.411 14.737 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.997 0.161 15.752 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.281 0.570 13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.366 2.130 16.464 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.872 3.053 16.660 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.367 1.758 13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.181 2.843 15.129 1.00 0.00 H new ATOM 354 N ALA A 26 -6.339 -0.751 11.319 1.00 0.00 N ATOM 355 CA ALA A 26 -6.725 0.142 10.234 1.00 0.00 C ATOM 356 C ALA A 26 -7.967 -0.372 9.514 1.00 0.00 C ATOM 357 O ALA A 26 -8.039 -1.543 9.140 1.00 0.00 O ATOM 358 CB ALA A 26 -5.575 0.308 9.252 1.00 0.00 C ATOM 0 H ALA A 26 -5.397 -1.134 11.235 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.964 1.114 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.878 0.978 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.713 0.729 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.309 -0.664 8.835 1.00 0.00 H new ATOM 364 N SER A 27 -8.943 0.510 9.324 1.00 0.00 N ATOM 365 CA SER A 27 -10.185 0.143 8.653 1.00 0.00 C ATOM 366 C SER A 27 -10.159 0.573 7.190 1.00 0.00 C ATOM 367 O SER A 27 -9.184 1.159 6.720 1.00 0.00 O ATOM 368 CB SER A 27 -11.381 0.781 9.363 1.00 0.00 C ATOM 369 OG SER A 27 -11.413 0.419 10.733 1.00 0.00 O ATOM 0 H SER A 27 -8.898 1.484 9.625 1.00 0.00 H new ATOM 0 HA SER A 27 -10.284 -0.942 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.326 1.866 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.306 0.467 8.879 1.00 0.00 H new ATOM 0 HG SER A 27 -12.185 0.841 11.165 1.00 0.00 H new ATOM 375 N CYS A 28 -11.239 0.277 6.474 1.00 0.00 N ATOM 376 CA CYS A 28 -11.343 0.632 5.064 1.00 0.00 C ATOM 377 C CYS A 28 -12.441 1.668 4.843 1.00 0.00 C ATOM 378 O CYS A 28 -13.531 1.564 5.405 1.00 0.00 O ATOM 379 CB CYS A 28 -11.625 -0.614 4.222 1.00 0.00 C ATOM 380 SG CYS A 28 -11.720 -0.296 2.431 1.00 0.00 S ATOM 0 H CYS A 28 -12.055 -0.208 6.848 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.392 1.065 4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.843 -1.350 4.408 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.565 -1.057 4.552 1.00 0.00 H new ATOM 385 N LYS A 29 -12.147 2.668 4.019 1.00 0.00 N ATOM 386 CA LYS A 29 -13.108 3.723 3.720 1.00 0.00 C ATOM 387 C LYS A 29 -13.816 3.455 2.396 1.00 0.00 C ATOM 388 O LYS A 29 -14.201 4.385 1.687 1.00 0.00 O ATOM 389 CB LYS A 29 -12.405 5.082 3.670 1.00 0.00 C ATOM 390 CG LYS A 29 -11.768 5.486 4.988 1.00 0.00 C ATOM 391 CD LYS A 29 -12.811 5.943 5.994 1.00 0.00 C ATOM 392 CE LYS A 29 -12.214 6.887 7.026 1.00 0.00 C ATOM 393 NZ LYS A 29 -13.033 6.941 8.269 1.00 0.00 N ATOM 0 H LYS A 29 -11.249 2.770 3.546 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.855 3.736 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.636 5.056 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.127 5.844 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.211 4.643 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.051 6.289 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.627 6.442 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.238 5.075 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.202 6.564 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.134 7.887 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.592 7.595 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.991 7.274 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.088 5.992 8.690 1.00 0.00 H new ATOM 407 N LYS A 30 -13.987 2.179 2.069 1.00 0.00 N ATOM 408 CA LYS A 30 -14.651 1.787 0.832 1.00 0.00 C ATOM 409 C LYS A 30 -15.733 0.746 1.101 1.00 0.00 C ATOM 410 O LYS A 30 -16.893 0.931 0.731 1.00 0.00 O ATOM 411 CB LYS A 30 -13.632 1.233 -0.166 1.00 0.00 C ATOM 412 CG LYS A 30 -14.264 0.563 -1.373 1.00 0.00 C ATOM 413 CD LYS A 30 -14.769 1.584 -2.378 1.00 0.00 C ATOM 414 CE LYS A 30 -16.014 1.089 -3.099 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.240 1.263 -2.272 1.00 0.00 N ATOM 0 H LYS A 30 -13.674 1.397 2.645 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.122 2.673 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.991 2.046 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.991 0.514 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.534 -0.089 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.091 -0.068 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.992 2.520 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.986 1.797 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.129 1.631 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.893 0.036 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.960 0.573 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.007 1.111 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.611 2.226 -2.399 1.00 0.00 H new ATOM 429 N CYS A 31 -15.346 -0.348 1.748 1.00 0.00 N ATOM 430 CA CYS A 31 -16.283 -1.419 2.068 1.00 0.00 C ATOM 431 C CYS A 31 -16.739 -1.326 3.521 1.00 0.00 C ATOM 432 O CYS A 31 -17.748 -1.917 3.905 1.00 0.00 O ATOM 433 CB CYS A 31 -15.638 -2.782 1.810 1.00 0.00 C ATOM 434 SG CYS A 31 -14.191 -3.131 2.859 1.00 0.00 S ATOM 0 H CYS A 31 -14.390 -0.517 2.061 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.156 -1.310 1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.384 -3.561 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.337 -2.837 0.764 1.00 0.00 H new ATOM 439 N SER A 32 -15.987 -0.581 4.325 1.00 0.00 N ATOM 440 CA SER A 32 -16.311 -0.414 5.737 1.00 0.00 C ATOM 441 C SER A 32 -16.050 -1.702 6.511 1.00 0.00 C ATOM 442 O SER A 32 -16.933 -2.216 7.197 1.00 0.00 O ATOM 443 CB SER A 32 -17.774 0.005 5.900 1.00 0.00 C ATOM 444 OG SER A 32 -18.028 0.468 7.215 1.00 0.00 O ATOM 0 H SER A 32 -15.149 -0.084 4.023 1.00 0.00 H new ATOM 0 HA SER A 32 -15.669 0.368 6.141 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.013 0.790 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.425 -0.840 5.677 1.00 0.00 H new ATOM 0 HG SER A 32 -17.885 -0.263 7.852 1.00 0.00 H new ATOM 450 N GLU A 33 -14.831 -2.219 6.393 1.00 0.00 N ATOM 451 CA GLU A 33 -14.454 -3.448 7.081 1.00 0.00 C ATOM 452 C GLU A 33 -13.110 -3.286 7.786 1.00 0.00 C ATOM 453 O GLU A 33 -12.437 -2.267 7.636 1.00 0.00 O ATOM 454 CB GLU A 33 -14.385 -4.613 6.091 1.00 0.00 C ATOM 455 CG GLU A 33 -15.703 -4.891 5.387 1.00 0.00 C ATOM 456 CD GLU A 33 -16.591 -5.841 6.167 1.00 0.00 C ATOM 457 OE1 GLU A 33 -16.140 -6.967 6.463 1.00 0.00 O ATOM 458 OE2 GLU A 33 -17.737 -5.458 6.481 1.00 0.00 O ATOM 0 H GLU A 33 -14.089 -1.806 5.828 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.216 -3.662 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.621 -4.399 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.069 -5.511 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.232 -3.951 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.503 -5.313 4.402 1.00 0.00 H new ATOM 465 N SER A 34 -12.727 -4.300 8.556 1.00 0.00 N ATOM 466 CA SER A 34 -11.466 -4.269 9.289 1.00 0.00 C ATOM 467 C SER A 34 -10.365 -4.978 8.505 1.00 0.00 C ATOM 468 O SER A 34 -10.432 -6.186 8.274 1.00 0.00 O ATOM 469 CB SER A 34 -11.633 -4.924 10.661 1.00 0.00 C ATOM 470 OG SER A 34 -11.839 -6.320 10.539 1.00 0.00 O ATOM 0 H SER A 34 -13.271 -5.152 8.688 1.00 0.00 H new ATOM 0 HA SER A 34 -11.178 -3.226 9.425 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.747 -4.736 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.477 -4.473 11.182 1.00 0.00 H new ATOM 0 HG SER A 34 -11.381 -6.650 9.738 1.00 0.00 H new ATOM 476 N ILE A 35 -9.354 -4.218 8.099 1.00 0.00 N ATOM 477 CA ILE A 35 -8.238 -4.773 7.343 1.00 0.00 C ATOM 478 C ILE A 35 -7.411 -5.723 8.201 1.00 0.00 C ATOM 479 O ILE A 35 -7.017 -5.403 9.323 1.00 0.00 O ATOM 480 CB ILE A 35 -7.321 -3.663 6.797 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.103 -2.740 5.859 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.126 -4.269 6.076 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.557 -1.331 5.804 1.00 0.00 C ATOM 0 H ILE A 35 -9.284 -3.217 8.281 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.667 -5.324 6.506 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.953 -3.072 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.094 -3.164 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.144 -2.705 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.488 -3.471 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.558 -4.889 6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.475 -4.882 5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.160 -0.734 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.591 -0.888 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.525 -1.354 5.453 1.00 0.00 H new ATOM 495 N PRO A 36 -7.138 -6.921 7.663 1.00 0.00 N ATOM 496 CA PRO A 36 -6.352 -7.943 8.362 1.00 0.00 C ATOM 497 C PRO A 36 -4.882 -7.556 8.490 1.00 0.00 C ATOM 498 O PRO A 36 -4.380 -6.723 7.735 1.00 0.00 O ATOM 499 CB PRO A 36 -6.504 -9.178 7.471 1.00 0.00 C ATOM 500 CG PRO A 36 -6.789 -8.634 6.114 1.00 0.00 C ATOM 501 CD PRO A 36 -7.575 -7.370 6.331 1.00 0.00 C ATOM 0 HA PRO A 36 -6.697 -8.094 9.385 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.596 -9.781 7.473 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.314 -9.819 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.865 -8.431 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.356 -9.349 5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.358 -6.626 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.649 -7.554 6.301 1.00 0.00 H new ATOM 509 N LYS A 37 -4.196 -8.167 9.450 1.00 0.00 N ATOM 510 CA LYS A 37 -2.783 -7.889 9.677 1.00 0.00 C ATOM 511 C LYS A 37 -1.916 -8.606 8.647 1.00 0.00 C ATOM 512 O LYS A 37 -2.329 -9.608 8.063 1.00 0.00 O ATOM 513 CB LYS A 37 -2.378 -8.319 11.089 1.00 0.00 C ATOM 514 CG LYS A 37 -0.900 -8.126 11.383 1.00 0.00 C ATOM 515 CD LYS A 37 -0.597 -8.308 12.860 1.00 0.00 C ATOM 516 CE LYS A 37 0.850 -8.717 13.086 1.00 0.00 C ATOM 517 NZ LYS A 37 1.227 -8.652 14.526 1.00 0.00 N ATOM 0 H LYS A 37 -4.596 -8.859 10.084 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.628 -6.815 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.961 -7.751 11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.633 -9.370 11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.316 -8.839 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.593 -7.129 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.801 -7.378 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.260 -9.066 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.003 -9.731 12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.506 -8.065 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.221 -8.938 14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.106 -7.679 14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.618 -9.293 15.074 1.00 0.00 H new ATOM 531 N ASP A 38 -0.712 -8.087 8.431 1.00 0.00 N ATOM 532 CA ASP A 38 0.215 -8.679 7.474 1.00 0.00 C ATOM 533 C ASP A 38 -0.455 -8.873 6.117 1.00 0.00 C ATOM 534 O ASP A 38 -0.274 -9.902 5.466 1.00 0.00 O ATOM 535 CB ASP A 38 0.735 -10.019 7.996 1.00 0.00 C ATOM 536 CG ASP A 38 2.069 -10.401 7.387 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.974 -9.541 7.355 1.00 0.00 O ATOM 538 OD2 ASP A 38 2.209 -11.559 6.940 1.00 0.00 O ATOM 0 H ASP A 38 -0.355 -7.258 8.906 1.00 0.00 H new ATOM 0 HA ASP A 38 1.055 -7.996 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.835 -9.969 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.004 -10.798 7.779 1.00 0.00 H new ATOM 543 N SER A 39 -1.231 -7.879 5.698 1.00 0.00 N ATOM 544 CA SER A 39 -1.933 -7.942 4.422 1.00 0.00 C ATOM 545 C SER A 39 -1.496 -6.805 3.504 1.00 0.00 C ATOM 546 O SER A 39 -1.004 -5.774 3.965 1.00 0.00 O ATOM 547 CB SER A 39 -3.446 -7.881 4.643 1.00 0.00 C ATOM 548 OG SER A 39 -3.868 -6.556 4.916 1.00 0.00 O ATOM 0 H SER A 39 -1.390 -7.020 6.224 1.00 0.00 H new ATOM 0 HA SER A 39 -1.681 -8.889 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.961 -8.255 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.722 -8.532 5.472 1.00 0.00 H new ATOM 0 HG SER A 39 -4.082 -6.471 5.869 1.00 0.00 H new ATOM 554 N LEU A 40 -1.678 -6.999 2.203 1.00 0.00 N ATOM 555 CA LEU A 40 -1.303 -5.990 1.218 1.00 0.00 C ATOM 556 C LEU A 40 -2.389 -4.926 1.088 1.00 0.00 C ATOM 557 O LEU A 40 -3.447 -5.173 0.510 1.00 0.00 O ATOM 558 CB LEU A 40 -1.049 -6.645 -0.140 1.00 0.00 C ATOM 559 CG LEU A 40 -0.531 -5.721 -1.244 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.826 -5.148 -0.867 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.448 -6.467 -2.568 1.00 0.00 C ATOM 0 H LEU A 40 -2.083 -7.846 1.805 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.387 -5.508 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.330 -7.453 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.979 -7.100 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.232 -4.894 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.179 -4.493 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.736 -4.578 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.537 -5.961 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.078 -5.795 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.232 -7.313 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.438 -6.828 -2.845 1.00 0.00 H new ATOM 573 N ARG A 41 -2.117 -3.742 1.628 1.00 0.00 N ATOM 574 CA ARG A 41 -3.070 -2.641 1.571 1.00 0.00 C ATOM 575 C ARG A 41 -2.395 -1.362 1.083 1.00 0.00 C ATOM 576 O ARG A 41 -1.168 -1.280 1.025 1.00 0.00 O ATOM 577 CB ARG A 41 -3.694 -2.407 2.948 1.00 0.00 C ATOM 578 CG ARG A 41 -2.703 -1.917 3.991 1.00 0.00 C ATOM 579 CD ARG A 41 -3.288 -1.990 5.393 1.00 0.00 C ATOM 580 NE ARG A 41 -2.371 -1.456 6.397 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.580 -1.547 7.705 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.667 -2.150 8.166 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.699 -1.036 8.556 1.00 0.00 N ATOM 0 H ARG A 41 -1.245 -3.521 2.109 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.855 -2.910 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.499 -1.678 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.145 -3.336 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.795 -2.518 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.417 -0.889 3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.224 -1.433 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.525 -3.026 5.633 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.524 -0.988 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.346 -2.546 7.515 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.825 -2.218 9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.861 -0.573 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.860 -1.106 9.561 1.00 0.00 H new ATOM 597 N MET A 42 -3.204 -0.368 0.733 1.00 0.00 N ATOM 598 CA MET A 42 -2.685 0.906 0.250 1.00 0.00 C ATOM 599 C MET A 42 -3.158 2.056 1.134 1.00 0.00 C ATOM 600 O MET A 42 -4.133 1.922 1.873 1.00 0.00 O ATOM 601 CB MET A 42 -3.122 1.145 -1.196 1.00 0.00 C ATOM 602 CG MET A 42 -2.634 0.078 -2.163 1.00 0.00 C ATOM 603 SD MET A 42 -3.316 0.278 -3.820 1.00 0.00 S ATOM 604 CE MET A 42 -1.956 1.097 -4.649 1.00 0.00 C ATOM 0 H MET A 42 -4.222 -0.420 0.775 1.00 0.00 H new ATOM 0 HA MET A 42 -1.597 0.865 0.290 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.210 1.189 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.752 2.117 -1.523 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.546 0.111 -2.216 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.905 -0.906 -1.779 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.980 0.857 -5.712 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.046 2.175 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.012 0.758 -4.222 1.00 0.00 H new ATOM 614 N ALA A 43 -2.462 3.185 1.052 1.00 0.00 N ATOM 615 CA ALA A 43 -2.813 4.358 1.842 1.00 0.00 C ATOM 616 C ALA A 43 -2.863 5.611 0.974 1.00 0.00 C ATOM 617 O ALA A 43 -2.164 5.705 -0.036 1.00 0.00 O ATOM 618 CB ALA A 43 -1.822 4.543 2.982 1.00 0.00 C ATOM 0 H ALA A 43 -1.651 3.312 0.446 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.807 4.198 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.097 5.423 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.839 3.663 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.820 4.676 2.575 1.00 0.00 H new ATOM 624 N ILE A 44 -3.693 6.569 1.373 1.00 0.00 N ATOM 625 CA ILE A 44 -3.833 7.815 0.630 1.00 0.00 C ATOM 626 C ILE A 44 -3.803 9.019 1.566 1.00 0.00 C ATOM 627 O ILE A 44 -4.519 9.058 2.566 1.00 0.00 O ATOM 628 CB ILE A 44 -5.141 7.843 -0.182 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.167 6.690 -1.188 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.293 9.179 -0.895 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.553 6.367 -1.700 1.00 0.00 C ATOM 0 H ILE A 44 -4.278 6.506 2.206 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.988 7.870 -0.056 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.980 7.721 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.526 6.941 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.745 5.801 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.222 9.184 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.314 9.983 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.452 9.328 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.496 5.541 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.193 6.085 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.970 7.243 -2.197 1.00 0.00 H new ATOM 643 N MET A 45 -2.971 10.000 1.233 1.00 0.00 N ATOM 644 CA MET A 45 -2.850 11.207 2.043 1.00 0.00 C ATOM 645 C MET A 45 -3.889 12.245 1.629 1.00 0.00 C ATOM 646 O MET A 45 -3.742 12.911 0.604 1.00 0.00 O ATOM 647 CB MET A 45 -1.444 11.796 1.913 1.00 0.00 C ATOM 648 CG MET A 45 -0.343 10.840 2.343 1.00 0.00 C ATOM 649 SD MET A 45 0.052 10.982 4.097 1.00 0.00 S ATOM 650 CE MET A 45 -1.322 10.095 4.826 1.00 0.00 C ATOM 0 H MET A 45 -2.371 9.983 0.408 1.00 0.00 H new ATOM 0 HA MET A 45 -3.027 10.936 3.084 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.276 12.088 0.877 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.382 12.703 2.514 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.649 9.817 2.125 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.554 11.036 1.755 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.007 9.649 5.769 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.145 10.786 5.008 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.651 9.310 4.145 1.00 0.00 H new ATOM 660 N VAL A 46 -4.939 12.378 2.434 1.00 0.00 N ATOM 661 CA VAL A 46 -6.001 13.335 2.152 1.00 0.00 C ATOM 662 C VAL A 46 -6.166 14.327 3.298 1.00 0.00 C ATOM 663 O VAL A 46 -5.522 14.199 4.339 1.00 0.00 O ATOM 664 CB VAL A 46 -7.346 12.625 1.905 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.293 11.814 0.619 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.706 11.740 3.089 1.00 0.00 C ATOM 0 H VAL A 46 -5.076 11.835 3.286 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.711 13.872 1.249 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.123 13.382 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.251 11.320 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.084 12.477 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.506 11.064 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.659 11.246 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.930 10.988 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.788 12.351 3.988 1.00 0.00 H new ATOM 676 N GLN A 47 -7.032 15.315 3.099 1.00 0.00 N ATOM 677 CA GLN A 47 -7.281 16.329 4.116 1.00 0.00 C ATOM 678 C GLN A 47 -8.665 16.154 4.733 1.00 0.00 C ATOM 679 O GLN A 47 -9.673 16.134 4.025 1.00 0.00 O ATOM 680 CB GLN A 47 -7.152 17.729 3.513 1.00 0.00 C ATOM 681 CG GLN A 47 -6.931 18.819 4.549 1.00 0.00 C ATOM 682 CD GLN A 47 -8.208 19.212 5.265 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.294 18.744 4.923 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.084 20.076 6.266 1.00 0.00 N ATOM 0 H GLN A 47 -7.573 15.435 2.243 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.535 16.209 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.322 17.736 2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.055 17.956 2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.200 18.476 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.507 19.697 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.164 20.439 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.909 20.377 6.785 1.00 0.00 H new ATOM 693 N SER A 48 -8.707 16.026 6.055 1.00 0.00 N ATOM 694 CA SER A 48 -9.967 15.848 6.766 1.00 0.00 C ATOM 695 C SER A 48 -10.605 17.197 7.088 1.00 0.00 C ATOM 696 O SER A 48 -9.946 18.132 7.542 1.00 0.00 O ATOM 697 CB SER A 48 -9.742 15.058 8.057 1.00 0.00 C ATOM 698 OG SER A 48 -10.972 14.755 8.691 1.00 0.00 O ATOM 0 H SER A 48 -7.883 16.042 6.655 1.00 0.00 H new ATOM 0 HA SER A 48 -10.644 15.290 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.208 14.135 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.112 15.635 8.735 1.00 0.00 H new ATOM 0 HG SER A 48 -10.801 14.249 9.512 1.00 0.00 H new ATOM 704 N PRO A 49 -11.920 17.301 6.846 1.00 0.00 N ATOM 705 CA PRO A 49 -12.678 18.529 7.103 1.00 0.00 C ATOM 706 C PRO A 49 -12.829 18.817 8.593 1.00 0.00 C ATOM 707 O PRO A 49 -12.978 19.969 9.000 1.00 0.00 O ATOM 708 CB PRO A 49 -14.043 18.243 6.472 1.00 0.00 C ATOM 709 CG PRO A 49 -14.164 16.758 6.490 1.00 0.00 C ATOM 710 CD PRO A 49 -12.770 16.226 6.305 1.00 0.00 C ATOM 0 HA PRO A 49 -12.180 19.408 6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.847 18.713 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.099 18.633 5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.592 16.413 7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.823 16.411 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -12.623 15.289 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.551 16.030 5.255 1.00 0.00 H new ATOM 718 N MET A 50 -12.788 17.763 9.401 1.00 0.00 N ATOM 719 CA MET A 50 -12.919 17.904 10.847 1.00 0.00 C ATOM 720 C MET A 50 -11.555 18.102 11.499 1.00 0.00 C ATOM 721 O MET A 50 -11.396 18.939 12.389 1.00 0.00 O ATOM 722 CB MET A 50 -13.608 16.674 11.440 1.00 0.00 C ATOM 723 CG MET A 50 -15.032 16.478 10.948 1.00 0.00 C ATOM 724 SD MET A 50 -16.184 17.667 11.662 1.00 0.00 S ATOM 725 CE MET A 50 -16.519 18.708 10.243 1.00 0.00 C ATOM 0 H MET A 50 -12.665 16.803 9.080 1.00 0.00 H new ATOM 0 HA MET A 50 -13.529 18.785 11.048 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.023 15.787 11.196 1.00 0.00 H new ATOM 0 HB3 MET A 50 -13.617 16.761 12.526 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.052 16.566 9.862 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.361 15.468 11.192 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.219 19.495 10.526 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.589 19.158 9.894 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.953 18.106 9.445 1.00 0.00 H new ATOM 735 N PHE A 51 -10.572 17.327 11.052 1.00 0.00 N ATOM 736 CA PHE A 51 -9.221 17.417 11.594 1.00 0.00 C ATOM 737 C PHE A 51 -8.513 18.669 11.085 1.00 0.00 C ATOM 738 O PHE A 51 -8.964 19.307 10.134 1.00 0.00 O ATOM 739 CB PHE A 51 -8.414 16.173 11.218 1.00 0.00 C ATOM 740 CG PHE A 51 -7.357 15.817 12.223 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.704 15.455 13.515 1.00 0.00 C ATOM 742 CD2 PHE A 51 -6.015 15.844 11.877 1.00 0.00 C ATOM 743 CE1 PHE A 51 -6.733 15.128 14.442 1.00 0.00 C ATOM 744 CE2 PHE A 51 -5.040 15.518 12.800 1.00 0.00 C ATOM 745 CZ PHE A 51 -5.399 15.158 14.084 1.00 0.00 C ATOM 0 H PHE A 51 -10.686 16.630 10.316 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.295 17.479 12.680 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.095 15.329 11.104 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.942 16.335 10.249 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.745 15.428 13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.728 16.123 10.874 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.017 14.849 15.446 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.998 15.545 12.518 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.639 14.901 14.807 1.00 0.00 H new ATOM 755 N ASP A 52 -7.402 19.015 11.727 1.00 0.00 N ATOM 756 CA ASP A 52 -6.631 20.191 11.340 1.00 0.00 C ATOM 757 C ASP A 52 -5.410 19.792 10.517 1.00 0.00 C ATOM 758 O ASP A 52 -4.318 20.328 10.707 1.00 0.00 O ATOM 759 CB ASP A 52 -6.193 20.971 12.581 1.00 0.00 C ATOM 760 CG ASP A 52 -7.370 21.482 13.388 1.00 0.00 C ATOM 761 OD1 ASP A 52 -8.464 21.640 12.807 1.00 0.00 O ATOM 762 OD2 ASP A 52 -7.197 21.725 14.601 1.00 0.00 O ATOM 0 H ASP A 52 -7.016 18.498 12.517 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.268 20.828 10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.575 20.330 13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.572 21.813 12.277 1.00 0.00 H new ATOM 767 N GLY A 53 -5.601 18.847 9.602 1.00 0.00 N ATOM 768 CA GLY A 53 -4.507 18.392 8.764 1.00 0.00 C ATOM 769 C GLY A 53 -4.907 17.243 7.860 1.00 0.00 C ATOM 770 O GLY A 53 -6.083 17.083 7.531 1.00 0.00 O ATOM 0 H GLY A 53 -6.495 18.388 9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.151 19.223 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.675 18.080 9.396 1.00 0.00 H new ATOM 774 N LYS A 54 -3.928 16.442 7.455 1.00 0.00 N ATOM 775 CA LYS A 54 -4.183 15.302 6.583 1.00 0.00 C ATOM 776 C LYS A 54 -4.246 14.006 7.386 1.00 0.00 C ATOM 777 O LYS A 54 -3.646 13.896 8.455 1.00 0.00 O ATOM 778 CB LYS A 54 -3.093 15.199 5.513 1.00 0.00 C ATOM 779 CG LYS A 54 -3.276 16.173 4.363 1.00 0.00 C ATOM 780 CD LYS A 54 -2.352 15.846 3.202 1.00 0.00 C ATOM 781 CE LYS A 54 -2.790 16.548 1.926 1.00 0.00 C ATOM 782 NZ LYS A 54 -4.078 16.008 1.409 1.00 0.00 N ATOM 0 H LYS A 54 -2.949 16.561 7.717 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.147 15.455 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.123 15.376 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.078 14.183 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.311 16.146 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.081 17.188 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.334 16.144 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.338 14.768 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.895 17.616 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.017 16.434 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.257 16.388 0.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.026 14.970 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.852 16.288 2.045 1.00 0.00 H new ATOM 796 N VAL A 55 -4.976 13.026 6.862 1.00 0.00 N ATOM 797 CA VAL A 55 -5.116 11.737 7.529 1.00 0.00 C ATOM 798 C VAL A 55 -4.906 10.587 6.550 1.00 0.00 C ATOM 799 O VAL A 55 -5.403 10.599 5.424 1.00 0.00 O ATOM 800 CB VAL A 55 -6.501 11.592 8.186 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.727 12.696 9.207 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.595 11.601 7.128 1.00 0.00 C ATOM 0 H VAL A 55 -5.479 13.100 5.978 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.350 11.696 8.303 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.538 10.636 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.711 12.576 9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.962 12.638 9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.671 13.666 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.567 11.498 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.561 12.541 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.441 10.771 6.439 1.00 0.00 H new ATOM 812 N PRO A 56 -4.152 9.568 6.988 1.00 0.00 N ATOM 813 CA PRO A 56 -3.860 8.389 6.167 1.00 0.00 C ATOM 814 C PRO A 56 -5.090 7.515 5.949 1.00 0.00 C ATOM 815 O PRO A 56 -5.607 6.908 6.888 1.00 0.00 O ATOM 816 CB PRO A 56 -2.808 7.638 6.986 1.00 0.00 C ATOM 817 CG PRO A 56 -3.049 8.063 8.393 1.00 0.00 C ATOM 818 CD PRO A 56 -3.528 9.487 8.320 1.00 0.00 C ATOM 0 HA PRO A 56 -3.525 8.662 5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.916 6.559 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.799 7.893 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.793 7.425 8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.137 7.988 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.242 9.712 9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.705 10.194 8.422 1.00 0.00 H new ATOM 826 N HIS A 57 -5.555 7.454 4.705 1.00 0.00 N ATOM 827 CA HIS A 57 -6.725 6.652 4.365 1.00 0.00 C ATOM 828 C HIS A 57 -6.310 5.276 3.852 1.00 0.00 C ATOM 829 O HIS A 57 -5.694 5.158 2.793 1.00 0.00 O ATOM 830 CB HIS A 57 -7.571 7.367 3.311 1.00 0.00 C ATOM 831 CG HIS A 57 -8.450 8.440 3.876 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.603 8.872 3.256 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.340 9.167 5.012 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.164 9.820 3.985 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.418 10.018 5.057 1.00 0.00 N ATOM 0 H HIS A 57 -5.140 7.950 3.916 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.319 6.520 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.910 7.806 2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.192 6.634 2.796 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.966 8.515 2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.552 9.092 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.077 10.344 3.745 1.00 0.00 H new ATOM 843 N TRP A 58 -6.651 4.240 4.611 1.00 0.00 N ATOM 844 CA TRP A 58 -6.312 2.873 4.233 1.00 0.00 C ATOM 845 C TRP A 58 -7.387 2.275 3.332 1.00 0.00 C ATOM 846 O TRP A 58 -8.582 2.445 3.578 1.00 0.00 O ATOM 847 CB TRP A 58 -6.135 2.006 5.481 1.00 0.00 C ATOM 848 CG TRP A 58 -5.020 2.466 6.370 1.00 0.00 C ATOM 849 CD1 TRP A 58 -5.136 3.173 7.533 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.619 2.253 6.167 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.892 3.411 8.065 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.944 2.857 7.246 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.868 1.609 5.180 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.557 2.835 7.363 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.491 1.589 5.297 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.847 2.198 6.382 1.00 0.00 C ATOM 0 H TRP A 58 -7.161 4.321 5.491 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.373 2.898 3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.066 2.004 6.049 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.946 0.977 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.069 3.497 7.970 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.705 3.918 8.930 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -3.355 1.135 4.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.059 3.304 8.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.901 1.095 4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.231 2.164 6.445 1.00 0.00 H new ATOM 867 N TYR A 59 -6.956 1.574 2.289 1.00 0.00 N ATOM 868 CA TYR A 59 -7.883 0.953 1.351 1.00 0.00 C ATOM 869 C TYR A 59 -7.387 -0.426 0.927 1.00 0.00 C ATOM 870 O TYR A 59 -6.203 -0.612 0.641 1.00 0.00 O ATOM 871 CB TYR A 59 -8.067 1.841 0.119 1.00 0.00 C ATOM 872 CG TYR A 59 -8.902 3.074 0.381 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.285 2.992 0.486 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.308 4.322 0.525 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.052 4.115 0.724 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.067 5.451 0.765 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.438 5.343 0.863 1.00 0.00 C ATOM 878 OH TYR A 59 -11.198 6.465 1.103 1.00 0.00 O ATOM 0 H TYR A 59 -5.971 1.422 2.072 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.843 0.836 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.087 2.147 -0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.535 1.257 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.769 2.032 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.234 4.411 0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.126 4.033 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.589 6.413 0.875 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.135 6.205 1.225 1.00 0.00 H new ATOM 888 N HIS A 60 -8.300 -1.391 0.889 1.00 0.00 N ATOM 889 CA HIS A 60 -7.957 -2.754 0.500 1.00 0.00 C ATOM 890 C HIS A 60 -7.352 -2.783 -0.901 1.00 0.00 C ATOM 891 O HIS A 60 -7.753 -2.017 -1.777 1.00 0.00 O ATOM 892 CB HIS A 60 -9.196 -3.649 0.551 1.00 0.00 C ATOM 893 CG HIS A 60 -9.580 -4.062 1.938 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.745 -3.650 2.551 1.00 0.00 N ATOM 895 CD2 HIS A 60 -8.946 -4.855 2.833 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.810 -4.172 3.763 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.731 -4.908 3.958 1.00 0.00 N ATOM 0 H HIS A 60 -9.283 -1.254 1.123 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.216 -3.131 1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.033 -3.123 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.014 -4.542 -0.048 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.999 -5.353 2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.610 -4.022 4.473 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.516 -5.431 4.807 1.00 0.00 H new ATOM 905 N PHE A 61 -6.384 -3.670 -1.103 1.00 0.00 N ATOM 906 CA PHE A 61 -5.722 -3.797 -2.397 1.00 0.00 C ATOM 907 C PHE A 61 -6.723 -3.645 -3.538 1.00 0.00 C ATOM 908 O PHE A 61 -6.417 -3.051 -4.572 1.00 0.00 O ATOM 909 CB PHE A 61 -5.015 -5.150 -2.501 1.00 0.00 C ATOM 910 CG PHE A 61 -4.229 -5.320 -3.770 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.172 -4.474 -4.064 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.549 -6.325 -4.669 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.447 -4.628 -5.230 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.827 -6.483 -5.836 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.775 -5.633 -6.118 1.00 0.00 C ATOM 0 H PHE A 61 -6.040 -4.311 -0.388 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.982 -3.001 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.345 -5.267 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.758 -5.945 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.912 -3.685 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.371 -6.992 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.624 -3.963 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.085 -7.271 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.211 -5.754 -7.031 1.00 0.00 H new ATOM 925 N SER A 62 -7.921 -4.186 -3.342 1.00 0.00 N ATOM 926 CA SER A 62 -8.967 -4.115 -4.355 1.00 0.00 C ATOM 927 C SER A 62 -9.774 -2.827 -4.214 1.00 0.00 C ATOM 928 O SER A 62 -9.937 -2.075 -5.175 1.00 0.00 O ATOM 929 CB SER A 62 -9.896 -5.326 -4.246 1.00 0.00 C ATOM 930 OG SER A 62 -10.939 -5.257 -5.203 1.00 0.00 O ATOM 0 H SER A 62 -8.191 -4.678 -2.491 1.00 0.00 H new ATOM 0 HA SER A 62 -8.490 -4.119 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.323 -6.242 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.321 -5.373 -3.243 1.00 0.00 H new ATOM 0 HG SER A 62 -11.518 -6.043 -5.114 1.00 0.00 H new ATOM 936 N CYS A 63 -10.276 -2.580 -3.009 1.00 0.00 N ATOM 937 CA CYS A 63 -11.066 -1.385 -2.739 1.00 0.00 C ATOM 938 C CYS A 63 -10.399 -0.147 -3.331 1.00 0.00 C ATOM 939 O CYS A 63 -11.021 0.610 -4.077 1.00 0.00 O ATOM 940 CB CYS A 63 -11.257 -1.203 -1.232 1.00 0.00 C ATOM 941 SG CYS A 63 -12.436 -2.374 -0.486 1.00 0.00 S ATOM 0 H CYS A 63 -10.150 -3.192 -2.203 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.041 -1.511 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.291 -1.312 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.600 -0.186 -1.040 1.00 0.00 H new ATOM 946 N PHE A 64 -9.129 0.052 -2.994 1.00 0.00 N ATOM 947 CA PHE A 64 -8.377 1.198 -3.491 1.00 0.00 C ATOM 948 C PHE A 64 -8.672 1.444 -4.968 1.00 0.00 C ATOM 949 O PHE A 64 -8.759 2.589 -5.412 1.00 0.00 O ATOM 950 CB PHE A 64 -6.876 0.977 -3.290 1.00 0.00 C ATOM 951 CG PHE A 64 -6.037 2.155 -3.693 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.832 2.453 -5.030 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.452 2.966 -2.733 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.060 3.536 -5.403 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.679 4.051 -3.100 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.483 4.337 -4.437 1.00 0.00 C ATOM 0 H PHE A 64 -8.599 -0.565 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.687 2.076 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.688 0.749 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.565 0.106 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.281 1.831 -5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.602 2.747 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.908 3.756 -6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.229 4.675 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.880 5.185 -4.726 1.00 0.00 H new ATOM 966 N TRP A 65 -8.826 0.362 -5.722 1.00 0.00 N ATOM 967 CA TRP A 65 -9.111 0.459 -7.149 1.00 0.00 C ATOM 968 C TRP A 65 -10.592 0.730 -7.391 1.00 0.00 C ATOM 969 O TRP A 65 -10.958 1.444 -8.325 1.00 0.00 O ATOM 970 CB TRP A 65 -8.693 -0.828 -7.863 1.00 0.00 C ATOM 971 CG TRP A 65 -7.249 -1.176 -7.661 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.753 -2.268 -7.007 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.116 -0.429 -8.115 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.380 -2.244 -7.027 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.964 -1.126 -7.701 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.961 0.760 -8.832 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.678 -0.672 -7.981 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.684 1.211 -9.109 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.556 0.496 -8.685 1.00 0.00 C ATOM 0 H TRP A 65 -8.758 -0.593 -5.369 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.537 1.293 -7.552 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.311 -1.651 -7.505 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.888 -0.723 -8.930 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.352 -3.037 -6.543 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.769 -2.945 -6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.824 1.317 -9.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.808 -1.222 -7.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.554 2.130 -9.661 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.571 0.873 -8.918 1.00 0.00 H new ATOM 990 N LYS A 66 -11.440 0.158 -6.544 1.00 0.00 N ATOM 991 CA LYS A 66 -12.882 0.339 -6.664 1.00 0.00 C ATOM 992 C LYS A 66 -13.241 1.820 -6.724 1.00 0.00 C ATOM 993 O LYS A 66 -13.971 2.256 -7.614 1.00 0.00 O ATOM 994 CB LYS A 66 -13.600 -0.323 -5.485 1.00 0.00 C ATOM 995 CG LYS A 66 -13.342 -1.816 -5.377 1.00 0.00 C ATOM 996 CD LYS A 66 -14.245 -2.607 -6.309 1.00 0.00 C ATOM 997 CE LYS A 66 -14.494 -4.012 -5.783 1.00 0.00 C ATOM 998 NZ LYS A 66 -15.061 -4.904 -6.833 1.00 0.00 N ATOM 0 H LYS A 66 -11.153 -0.436 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.206 -0.134 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.284 0.160 -4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.672 -0.154 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.299 -2.024 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.504 -2.141 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.196 -2.087 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.790 -2.663 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.559 -4.433 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.179 -3.967 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.217 -5.852 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.966 -4.516 -7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.396 -4.967 -7.630 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.721 2.590 -5.773 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.985 4.023 -5.720 1.00 0.00 C ATOM 1014 C VAL A 67 -12.632 4.696 -7.042 1.00 0.00 C ATOM 1015 O VAL A 67 -13.265 5.672 -7.442 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.192 4.698 -4.585 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.732 4.270 -3.229 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.711 4.374 -4.704 1.00 0.00 C ATOM 0 H VAL A 67 -12.114 2.245 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.051 4.142 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.312 5.778 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.160 4.757 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.780 4.558 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.644 3.188 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.166 4.859 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.568 3.295 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.335 4.735 -5.661 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.615 4.166 -7.716 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.195 4.728 -8.987 1.00 0.00 C ATOM 1030 C GLY A 68 -9.873 5.463 -8.886 1.00 0.00 C ATOM 1031 O GLY A 68 -9.706 6.537 -9.466 1.00 0.00 O ATOM 0 H GLY A 68 -11.075 3.358 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.108 3.929 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.962 5.413 -9.349 1.00 0.00 H new ATOM 1035 N HIS A 69 -8.931 4.886 -8.148 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.617 5.493 -7.973 1.00 0.00 C ATOM 1037 C HIS A 69 -6.583 4.819 -8.869 1.00 0.00 C ATOM 1038 O HIS A 69 -5.910 3.875 -8.455 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.180 5.401 -6.511 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.678 6.531 -5.664 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.701 7.841 -6.095 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -8.174 6.542 -4.405 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -8.189 8.609 -5.137 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.485 7.845 -4.101 1.00 0.00 N ATOM 0 H HIS A 69 -9.053 3.998 -7.661 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.689 6.543 -8.257 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.537 4.460 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.091 5.377 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.302 5.686 -3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.323 9.679 -5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -8.880 8.170 -3.219 1.00 0.00 H new ATOM 1052 N SER A 70 -6.462 5.310 -10.098 1.00 0.00 N ATOM 1053 CA SER A 70 -5.513 4.752 -11.055 1.00 0.00 C ATOM 1054 C SER A 70 -4.088 5.182 -10.720 1.00 0.00 C ATOM 1055 O SER A 70 -3.865 6.272 -10.192 1.00 0.00 O ATOM 1056 CB SER A 70 -5.870 5.192 -12.476 1.00 0.00 C ATOM 1057 OG SER A 70 -5.990 6.602 -12.558 1.00 0.00 O ATOM 0 H SER A 70 -7.009 6.093 -10.455 1.00 0.00 H new ATOM 0 HA SER A 70 -5.570 3.665 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.103 4.848 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.807 4.726 -12.780 1.00 0.00 H new ATOM 0 HG SER A 70 -6.217 6.858 -13.476 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.128 4.317 -11.030 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.725 4.607 -10.764 1.00 0.00 C ATOM 1065 C ILE A 71 -0.855 4.268 -11.969 1.00 0.00 C ATOM 1066 O ILE A 71 -0.565 3.101 -12.230 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.211 3.827 -9.539 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.994 4.228 -8.287 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.277 4.071 -9.341 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.946 3.191 -7.187 1.00 0.00 C ATOM 0 H ILE A 71 -3.296 3.410 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.658 5.675 -10.559 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.364 2.762 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.597 5.169 -7.906 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.034 4.408 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.625 3.513 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.821 3.740 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.453 5.135 -9.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.522 3.542 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.370 2.255 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.911 3.028 -6.886 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.440 5.298 -12.701 1.00 0.00 N ATOM 1083 CA ARG A 72 0.398 5.109 -13.879 1.00 0.00 C ATOM 1084 C ARG A 72 1.611 4.244 -13.551 1.00 0.00 C ATOM 1085 O ARG A 72 1.800 3.175 -14.132 1.00 0.00 O ATOM 1086 CB ARG A 72 0.856 6.462 -14.427 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.236 7.223 -15.161 1.00 0.00 C ATOM 1088 CD ARG A 72 -0.336 6.790 -16.615 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.678 6.990 -17.155 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.919 7.520 -18.349 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -0.913 7.902 -19.123 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -3.168 7.670 -18.770 1.00 0.00 N ATOM 0 H ARG A 72 -0.671 6.271 -12.499 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.195 4.599 -14.638 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.222 7.074 -13.602 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.696 6.305 -15.104 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.192 7.058 -14.665 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.032 8.293 -15.112 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.382 7.353 -17.211 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.065 5.738 -16.699 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.474 6.707 -16.584 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.049 7.789 -18.802 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.101 8.309 -20.039 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.945 7.378 -18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.352 8.077 -19.687 1.00 0.00 H new ATOM 1106 N HIS A 73 2.431 4.714 -12.616 1.00 0.00 N ATOM 1107 CA HIS A 73 3.627 3.983 -12.210 1.00 0.00 C ATOM 1108 C HIS A 73 3.686 3.839 -10.692 1.00 0.00 C ATOM 1109 O HIS A 73 4.159 4.723 -9.978 1.00 0.00 O ATOM 1110 CB HIS A 73 4.882 4.696 -12.715 1.00 0.00 C ATOM 1111 CG HIS A 73 4.934 4.832 -14.206 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.384 3.829 -15.038 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.587 5.862 -15.014 1.00 0.00 C ATOM 1114 CE1 HIS A 73 5.314 4.236 -16.293 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.833 5.466 -16.305 1.00 0.00 N ATOM 0 H HIS A 73 2.290 5.597 -12.125 1.00 0.00 H new ATOM 0 HA HIS A 73 3.582 2.987 -12.651 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.932 5.688 -12.266 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.762 4.148 -12.377 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.191 6.817 -14.701 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.601 3.661 -17.161 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.671 6.030 -17.139 1.00 0.00 H new ATOM 1123 N PRO A 74 3.194 2.698 -10.187 1.00 0.00 N ATOM 1124 CA PRO A 74 3.179 2.411 -8.749 1.00 0.00 C ATOM 1125 C PRO A 74 4.578 2.170 -8.192 1.00 0.00 C ATOM 1126 O PRO A 74 4.756 2.002 -6.985 1.00 0.00 O ATOM 1127 CB PRO A 74 2.338 1.136 -8.650 1.00 0.00 C ATOM 1128 CG PRO A 74 2.482 0.483 -9.981 1.00 0.00 C ATOM 1129 CD PRO A 74 2.615 1.600 -10.979 1.00 0.00 C ATOM 0 HA PRO A 74 2.782 3.246 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.695 0.487 -7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.295 1.366 -8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.357 -0.167 -10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.616 -0.140 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.261 1.321 -11.811 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.650 1.876 -11.404 1.00 0.00 H new ATOM 1137 N ASP A 75 5.568 2.154 -9.078 1.00 0.00 N ATOM 1138 CA ASP A 75 6.952 1.935 -8.674 1.00 0.00 C ATOM 1139 C ASP A 75 7.553 3.206 -8.082 1.00 0.00 C ATOM 1140 O ASP A 75 8.330 3.153 -7.128 1.00 0.00 O ATOM 1141 CB ASP A 75 7.787 1.469 -9.868 1.00 0.00 C ATOM 1142 CG ASP A 75 9.272 1.448 -9.564 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.843 2.532 -9.321 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.862 0.348 -9.567 1.00 0.00 O ATOM 0 H ASP A 75 5.438 2.290 -10.080 1.00 0.00 H new ATOM 0 HA ASP A 75 6.963 1.159 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.466 0.470 -10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.602 2.128 -10.716 1.00 0.00 H new ATOM 1149 N VAL A 76 7.190 4.349 -8.656 1.00 0.00 N ATOM 1150 CA VAL A 76 7.693 5.634 -8.186 1.00 0.00 C ATOM 1151 C VAL A 76 6.595 6.435 -7.496 1.00 0.00 C ATOM 1152 O VAL A 76 6.867 7.240 -6.606 1.00 0.00 O ATOM 1153 CB VAL A 76 8.271 6.468 -9.345 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.553 5.839 -9.869 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.245 6.614 -10.459 1.00 0.00 C ATOM 0 H VAL A 76 6.549 4.411 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 76 8.487 5.421 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 76 8.510 7.463 -8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.946 6.442 -10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.289 5.791 -9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.343 4.832 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.670 7.206 -11.270 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.972 5.628 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.357 7.113 -10.072 1.00 0.00 H new ATOM 1165 N GLU A 77 5.353 6.208 -7.913 1.00 0.00 N ATOM 1166 CA GLU A 77 4.214 6.910 -7.334 1.00 0.00 C ATOM 1167 C GLU A 77 3.922 6.403 -5.924 1.00 0.00 C ATOM 1168 O GLU A 77 3.910 7.174 -4.965 1.00 0.00 O ATOM 1169 CB GLU A 77 2.977 6.735 -8.217 1.00 0.00 C ATOM 1170 CG GLU A 77 3.069 7.467 -9.546 1.00 0.00 C ATOM 1171 CD GLU A 77 1.708 7.763 -10.144 1.00 0.00 C ATOM 1172 OE1 GLU A 77 0.734 7.884 -9.371 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.616 7.873 -11.385 1.00 0.00 O ATOM 0 H GLU A 77 5.111 5.544 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 77 4.464 7.969 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.824 5.673 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.101 7.092 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.611 8.402 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.647 6.866 -10.248 1.00 0.00 H new ATOM 1180 N VAL A 78 3.685 5.100 -5.808 1.00 0.00 N ATOM 1181 CA VAL A 78 3.393 4.489 -4.517 1.00 0.00 C ATOM 1182 C VAL A 78 4.653 4.368 -3.668 1.00 0.00 C ATOM 1183 O VAL A 78 5.715 3.990 -4.165 1.00 0.00 O ATOM 1184 CB VAL A 78 2.765 3.093 -4.686 1.00 0.00 C ATOM 1185 CG1 VAL A 78 2.526 2.447 -3.329 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.469 3.184 -5.478 1.00 0.00 C ATOM 0 H VAL A 78 3.690 4.448 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 78 2.680 5.141 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 78 3.461 2.466 -5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.082 1.461 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.475 2.346 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.850 3.070 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.039 2.188 -5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.765 3.827 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.674 3.602 -6.464 1.00 0.00 H new ATOM 1196 N ASP A 79 4.530 4.691 -2.385 1.00 0.00 N ATOM 1197 CA ASP A 79 5.659 4.617 -1.466 1.00 0.00 C ATOM 1198 C ASP A 79 5.763 3.229 -0.843 1.00 0.00 C ATOM 1199 O ASP A 79 4.881 2.804 -0.098 1.00 0.00 O ATOM 1200 CB ASP A 79 5.520 5.673 -0.368 1.00 0.00 C ATOM 1201 CG ASP A 79 6.814 5.891 0.392 1.00 0.00 C ATOM 1202 OD1 ASP A 79 7.893 5.676 -0.198 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.747 6.277 1.578 1.00 0.00 O ATOM 0 H ASP A 79 3.659 5.007 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 79 6.570 4.810 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.200 6.615 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.739 5.368 0.329 1.00 0.00 H new ATOM 1208 N GLY A 80 6.848 2.525 -1.155 1.00 0.00 N ATOM 1209 CA GLY A 80 7.047 1.192 -0.619 1.00 0.00 C ATOM 1210 C GLY A 80 6.774 0.108 -1.643 1.00 0.00 C ATOM 1211 O GLY A 80 6.265 -0.961 -1.306 1.00 0.00 O ATOM 0 H GLY A 80 7.592 2.855 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.072 1.098 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.393 1.048 0.241 1.00 0.00 H new ATOM 1215 N PHE A 81 7.110 0.385 -2.899 1.00 0.00 N ATOM 1216 CA PHE A 81 6.896 -0.574 -3.976 1.00 0.00 C ATOM 1217 C PHE A 81 8.062 -1.554 -4.073 1.00 0.00 C ATOM 1218 O PHE A 81 7.872 -2.768 -4.011 1.00 0.00 O ATOM 1219 CB PHE A 81 6.717 0.157 -5.309 1.00 0.00 C ATOM 1220 CG PHE A 81 6.432 -0.762 -6.463 1.00 0.00 C ATOM 1221 CD1 PHE A 81 5.168 -1.300 -6.641 1.00 0.00 C ATOM 1222 CD2 PHE A 81 7.429 -1.088 -7.369 1.00 0.00 C ATOM 1223 CE1 PHE A 81 4.903 -2.146 -7.702 1.00 0.00 C ATOM 1224 CE2 PHE A 81 7.170 -1.933 -8.431 1.00 0.00 C ATOM 1225 CZ PHE A 81 5.905 -2.462 -8.598 1.00 0.00 C ATOM 0 H PHE A 81 7.531 1.265 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 81 5.990 -1.137 -3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.901 0.873 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.619 0.729 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.381 -1.056 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.420 -0.677 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.913 -2.559 -7.830 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.956 -2.180 -9.130 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.700 -3.122 -9.428 1.00 0.00 H new ATOM 1235 N SER A 82 9.268 -1.016 -4.225 1.00 0.00 N ATOM 1236 CA SER A 82 10.464 -1.842 -4.335 1.00 0.00 C ATOM 1237 C SER A 82 10.521 -2.868 -3.207 1.00 0.00 C ATOM 1238 O SER A 82 10.994 -3.988 -3.397 1.00 0.00 O ATOM 1239 CB SER A 82 11.719 -0.966 -4.306 1.00 0.00 C ATOM 1240 OG SER A 82 12.828 -1.646 -4.867 1.00 0.00 O ATOM 0 H SER A 82 9.442 -0.012 -4.275 1.00 0.00 H new ATOM 0 HA SER A 82 10.422 -2.374 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.536 -0.044 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.944 -0.682 -3.278 1.00 0.00 H new ATOM 0 HG SER A 82 13.617 -1.065 -4.838 1.00 0.00 H new ATOM 1246 N GLU A 83 10.036 -2.476 -2.033 1.00 0.00 N ATOM 1247 CA GLU A 83 10.033 -3.361 -0.875 1.00 0.00 C ATOM 1248 C GLU A 83 9.196 -4.608 -1.145 1.00 0.00 C ATOM 1249 O GLU A 83 9.606 -5.726 -0.830 1.00 0.00 O ATOM 1250 CB GLU A 83 9.491 -2.628 0.354 1.00 0.00 C ATOM 1251 CG GLU A 83 10.462 -1.612 0.933 1.00 0.00 C ATOM 1252 CD GLU A 83 10.041 -1.119 2.304 1.00 0.00 C ATOM 1253 OE1 GLU A 83 9.275 -0.135 2.370 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.478 -1.715 3.310 1.00 0.00 O ATOM 0 H GLU A 83 9.640 -1.552 -1.859 1.00 0.00 H new ATOM 0 HA GLU A 83 11.061 -3.668 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.565 -2.121 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.242 -3.360 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.453 -2.060 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.541 -0.763 0.254 1.00 0.00 H new ATOM 1261 N LEU A 84 8.020 -4.409 -1.731 1.00 0.00 N ATOM 1262 CA LEU A 84 7.124 -5.516 -2.045 1.00 0.00 C ATOM 1263 C LEU A 84 7.876 -6.645 -2.743 1.00 0.00 C ATOM 1264 O LEU A 84 8.762 -6.400 -3.562 1.00 0.00 O ATOM 1265 CB LEU A 84 5.973 -5.032 -2.928 1.00 0.00 C ATOM 1266 CG LEU A 84 5.062 -3.965 -2.319 1.00 0.00 C ATOM 1267 CD1 LEU A 84 4.102 -3.423 -3.366 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.296 -4.532 -1.133 1.00 0.00 C ATOM 0 H LEU A 84 7.665 -3.491 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 84 6.719 -5.899 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.393 -4.638 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.361 -5.893 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 84 5.683 -3.142 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.462 -2.665 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.669 -2.979 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.486 -4.236 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.653 -3.759 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.685 -5.373 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.000 -4.871 -0.373 1.00 0.00 H new ATOM 1280 N ARG A 85 7.515 -7.881 -2.416 1.00 0.00 N ATOM 1281 CA ARG A 85 8.155 -9.047 -3.012 1.00 0.00 C ATOM 1282 C ARG A 85 7.882 -9.110 -4.512 1.00 0.00 C ATOM 1283 O ARG A 85 6.888 -8.566 -4.995 1.00 0.00 O ATOM 1284 CB ARG A 85 7.659 -10.328 -2.339 1.00 0.00 C ATOM 1285 CG ARG A 85 8.036 -10.429 -0.870 1.00 0.00 C ATOM 1286 CD ARG A 85 7.329 -11.591 -0.192 1.00 0.00 C ATOM 1287 NE ARG A 85 8.000 -12.864 -0.444 1.00 0.00 N ATOM 1288 CZ ARG A 85 7.476 -14.045 -0.136 1.00 0.00 C ATOM 1289 NH1 ARG A 85 6.280 -14.116 0.432 1.00 0.00 N ATOM 1290 NH2 ARG A 85 8.149 -15.158 -0.396 1.00 0.00 N ATOM 0 H ARG A 85 6.782 -8.101 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 85 9.230 -8.957 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.574 -10.380 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.066 -11.188 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.115 -10.555 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.779 -9.499 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.285 -11.411 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.300 -11.647 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 85 8.922 -12.845 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.760 -13.262 0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.880 -15.024 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.069 -15.107 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.746 -16.065 -0.159 1.00 0.00 H new ATOM 1304 N TRP A 86 8.769 -9.775 -5.243 1.00 0.00 N ATOM 1305 CA TRP A 86 8.623 -9.908 -6.688 1.00 0.00 C ATOM 1306 C TRP A 86 7.170 -10.172 -7.066 1.00 0.00 C ATOM 1307 O TRP A 86 6.582 -9.437 -7.860 1.00 0.00 O ATOM 1308 CB TRP A 86 9.512 -11.038 -7.209 1.00 0.00 C ATOM 1309 CG TRP A 86 9.727 -10.990 -8.691 1.00 0.00 C ATOM 1310 CD1 TRP A 86 10.746 -10.365 -9.352 1.00 0.00 C ATOM 1311 CD2 TRP A 86 8.902 -11.589 -9.697 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.604 -10.539 -10.708 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.481 -11.287 -10.945 1.00 0.00 C ATOM 1314 CE3 TRP A 86 7.731 -12.352 -9.664 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 8.927 -11.722 -12.146 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.183 -12.782 -10.857 1.00 0.00 C ATOM 1317 CH2 TRP A 86 7.781 -12.467 -12.085 1.00 0.00 C ATOM 0 H TRP A 86 9.597 -10.231 -4.859 1.00 0.00 H new ATOM 0 HA TRP A 86 8.934 -8.970 -7.148 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.479 -10.991 -6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.062 -11.995 -6.945 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.546 -9.815 -8.879 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.233 -10.171 -11.422 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.263 -12.601 -8.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.386 -11.480 -13.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.278 -13.371 -10.843 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.329 -12.819 -13.000 1.00 0.00 H new ATOM 1328 N ASP A 87 6.596 -11.225 -6.494 1.00 0.00 N ATOM 1329 CA ASP A 87 5.210 -11.585 -6.771 1.00 0.00 C ATOM 1330 C ASP A 87 4.296 -10.371 -6.635 1.00 0.00 C ATOM 1331 O ASP A 87 3.439 -10.129 -7.485 1.00 0.00 O ATOM 1332 CB ASP A 87 4.750 -12.694 -5.824 1.00 0.00 C ATOM 1333 CG ASP A 87 3.496 -13.391 -6.315 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.614 -14.292 -7.170 1.00 0.00 O ATOM 1335 OD2 ASP A 87 2.396 -13.033 -5.843 1.00 0.00 O ATOM 0 H ASP A 87 7.069 -11.844 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 87 5.152 -11.947 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.549 -13.427 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.564 -12.271 -4.837 1.00 0.00 H new ATOM 1340 N ASP A 88 4.484 -9.613 -5.561 1.00 0.00 N ATOM 1341 CA ASP A 88 3.677 -8.424 -5.314 1.00 0.00 C ATOM 1342 C ASP A 88 3.942 -7.357 -6.371 1.00 0.00 C ATOM 1343 O ASP A 88 3.012 -6.830 -6.981 1.00 0.00 O ATOM 1344 CB ASP A 88 3.970 -7.864 -3.921 1.00 0.00 C ATOM 1345 CG ASP A 88 3.411 -8.738 -2.816 1.00 0.00 C ATOM 1346 OD1 ASP A 88 3.700 -9.953 -2.817 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.683 -8.208 -1.950 1.00 0.00 O ATOM 0 H ASP A 88 5.188 -9.801 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 88 2.627 -8.710 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.048 -7.765 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.546 -6.863 -3.838 1.00 0.00 H new ATOM 1352 N GLN A 89 5.216 -7.043 -6.581 1.00 0.00 N ATOM 1353 CA GLN A 89 5.603 -6.037 -7.563 1.00 0.00 C ATOM 1354 C GLN A 89 4.865 -6.251 -8.881 1.00 0.00 C ATOM 1355 O GLN A 89 4.356 -5.303 -9.478 1.00 0.00 O ATOM 1356 CB GLN A 89 7.114 -6.078 -7.798 1.00 0.00 C ATOM 1357 CG GLN A 89 7.914 -5.325 -6.747 1.00 0.00 C ATOM 1358 CD GLN A 89 9.390 -5.245 -7.084 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.765 -4.888 -8.201 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.237 -5.577 -6.117 1.00 0.00 N ATOM 0 H GLN A 89 5.998 -7.471 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 89 5.330 -5.058 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.442 -7.117 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.332 -5.657 -8.779 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.513 -4.316 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.792 -5.816 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.882 -5.867 -5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.242 -5.542 -6.285 1.00 0.00 H new ATOM 1369 N GLN A 90 4.814 -7.502 -9.328 1.00 0.00 N ATOM 1370 CA GLN A 90 4.139 -7.839 -10.576 1.00 0.00 C ATOM 1371 C GLN A 90 2.626 -7.723 -10.425 1.00 0.00 C ATOM 1372 O GLN A 90 1.942 -7.196 -11.303 1.00 0.00 O ATOM 1373 CB GLN A 90 4.513 -9.256 -11.015 1.00 0.00 C ATOM 1374 CG GLN A 90 5.987 -9.422 -11.344 1.00 0.00 C ATOM 1375 CD GLN A 90 6.383 -8.713 -12.624 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.806 -8.954 -13.685 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.372 -7.832 -12.532 1.00 0.00 N ATOM 0 H GLN A 90 5.231 -8.298 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 90 4.464 -7.132 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.245 -9.955 -10.223 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.922 -9.524 -11.890 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.585 -9.035 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.218 -10.483 -11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.822 -7.663 -11.633 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.681 -7.324 -13.361 1.00 0.00 H new ATOM 1386 N LYS A 91 2.108 -8.219 -9.307 1.00 0.00 N ATOM 1387 CA LYS A 91 0.675 -8.171 -9.039 1.00 0.00 C ATOM 1388 C LYS A 91 0.162 -6.735 -9.081 1.00 0.00 C ATOM 1389 O LYS A 91 -0.760 -6.417 -9.832 1.00 0.00 O ATOM 1390 CB LYS A 91 0.369 -8.794 -7.676 1.00 0.00 C ATOM 1391 CG LYS A 91 -1.089 -9.182 -7.498 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.500 -9.149 -6.036 1.00 0.00 C ATOM 1393 CE LYS A 91 -2.650 -10.106 -5.759 1.00 0.00 C ATOM 1394 NZ LYS A 91 -3.251 -9.877 -4.415 1.00 0.00 N ATOM 0 H LYS A 91 2.660 -8.659 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 91 0.166 -8.743 -9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.991 -9.679 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.647 -8.089 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.720 -8.501 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.252 -10.182 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.647 -9.413 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.794 -8.136 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.416 -9.985 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.292 -11.133 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.031 -10.549 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.527 -10.018 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.616 -8.905 -4.359 1.00 0.00 H new ATOM 1408 N VAL A 92 0.766 -5.872 -8.271 1.00 0.00 N ATOM 1409 CA VAL A 92 0.372 -4.469 -8.218 1.00 0.00 C ATOM 1410 C VAL A 92 0.349 -3.851 -9.611 1.00 0.00 C ATOM 1411 O VAL A 92 -0.644 -3.247 -10.018 1.00 0.00 O ATOM 1412 CB VAL A 92 1.322 -3.653 -7.322 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.956 -2.177 -7.360 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.294 -4.181 -5.896 1.00 0.00 C ATOM 0 H VAL A 92 1.530 -6.120 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.632 -4.438 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 92 2.337 -3.761 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.638 -1.616 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.033 -1.809 -8.383 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.066 -2.046 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.971 -3.593 -5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.281 -4.105 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.609 -5.224 -5.888 1.00 0.00 H new ATOM 1424 N LYS A 93 1.449 -4.008 -10.340 1.00 0.00 N ATOM 1425 CA LYS A 93 1.556 -3.467 -11.690 1.00 0.00 C ATOM 1426 C LYS A 93 0.362 -3.889 -12.541 1.00 0.00 C ATOM 1427 O LYS A 93 -0.408 -3.050 -13.008 1.00 0.00 O ATOM 1428 CB LYS A 93 2.856 -3.936 -12.348 1.00 0.00 C ATOM 1429 CG LYS A 93 4.092 -3.220 -11.831 1.00 0.00 C ATOM 1430 CD LYS A 93 5.329 -3.598 -12.628 1.00 0.00 C ATOM 1431 CE LYS A 93 6.555 -2.835 -12.150 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.753 -3.133 -12.981 1.00 0.00 N ATOM 0 H LYS A 93 2.279 -4.506 -10.018 1.00 0.00 H new ATOM 0 HA LYS A 93 1.564 -2.379 -11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.971 -5.007 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.783 -3.786 -13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.939 -2.142 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.245 -3.468 -10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.508 -4.669 -12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.160 -3.391 -13.685 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.350 -1.765 -12.179 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.761 -3.093 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.567 -2.594 -12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.964 -4.150 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.567 -2.864 -13.968 1.00 0.00 H new ATOM 1446 N LYS A 94 0.214 -5.194 -12.739 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.887 -5.729 -13.531 1.00 0.00 C ATOM 1448 C LYS A 94 -2.215 -5.115 -13.100 1.00 0.00 C ATOM 1449 O LYS A 94 -3.035 -4.733 -13.935 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.948 -7.252 -13.396 1.00 0.00 C ATOM 1451 CG LYS A 94 0.002 -7.984 -14.327 1.00 0.00 C ATOM 1452 CD LYS A 94 0.423 -9.326 -13.752 1.00 0.00 C ATOM 1453 CE LYS A 94 -0.524 -10.437 -14.179 1.00 0.00 C ATOM 1454 NZ LYS A 94 -0.329 -11.672 -13.371 1.00 0.00 N ATOM 0 H LYS A 94 0.844 -5.902 -12.361 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.709 -5.471 -14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.718 -7.526 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.967 -7.585 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.479 -8.136 -15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.885 -7.370 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.435 -9.563 -14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.447 -9.265 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.554 -10.095 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.366 -10.664 -15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.993 -12.405 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.647 -12.013 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.505 -11.462 -12.368 1.00 0.00 H new ATOM 1468 N THR A 95 -2.422 -5.023 -11.790 1.00 0.00 N ATOM 1469 CA THR A 95 -3.650 -4.456 -11.248 1.00 0.00 C ATOM 1470 C THR A 95 -3.757 -2.970 -11.568 1.00 0.00 C ATOM 1471 O THR A 95 -4.849 -2.454 -11.806 1.00 0.00 O ATOM 1472 CB THR A 95 -3.732 -4.649 -9.722 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.549 -6.030 -9.392 1.00 0.00 O ATOM 1474 CG2 THR A 95 -5.073 -4.168 -9.187 1.00 0.00 C ATOM 0 H THR A 95 -1.754 -5.334 -11.085 1.00 0.00 H new ATOM 0 HA THR A 95 -4.478 -4.986 -11.718 1.00 0.00 H new ATOM 0 HB THR A 95 -2.941 -4.058 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.610 -6.277 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.108 -4.314 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.197 -3.109 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.877 -4.736 -9.656 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.618 -2.286 -11.571 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.584 -0.859 -11.864 1.00 0.00 C ATOM 1484 C ALA A 96 -2.910 -0.592 -13.330 1.00 0.00 C ATOM 1485 O ALA A 96 -3.764 0.237 -13.643 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.222 -0.279 -11.511 1.00 0.00 C ATOM 0 H ALA A 96 -1.706 -2.698 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.344 -0.370 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.212 0.788 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.027 -0.428 -10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.451 -0.780 -12.096 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.224 -1.298 -14.223 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.442 -1.135 -15.655 1.00 0.00 C ATOM 1494 C GLU A 97 -3.903 -1.387 -16.016 1.00 0.00 C ATOM 1495 O GLU A 97 -4.471 -0.701 -16.865 1.00 0.00 O ATOM 1496 CB GLU A 97 -1.539 -2.087 -16.442 1.00 0.00 C ATOM 1497 CG GLU A 97 -1.893 -3.553 -16.258 1.00 0.00 C ATOM 1498 CD GLU A 97 -1.256 -4.444 -17.308 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -1.440 -4.166 -18.511 1.00 0.00 O ATOM 1500 OE2 GLU A 97 -0.574 -5.417 -16.926 1.00 0.00 O ATOM 0 H GLU A 97 -1.513 -1.988 -13.980 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.193 -0.107 -15.920 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.598 -1.838 -17.501 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.505 -1.930 -16.135 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.573 -3.879 -15.268 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.976 -3.669 -16.297 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.505 -2.378 -15.365 1.00 0.00 N ATOM 1508 CA ALA A 98 -5.899 -2.720 -15.616 1.00 0.00 C ATOM 1509 C ALA A 98 -6.837 -1.674 -15.022 1.00 0.00 C ATOM 1510 O ALA A 98 -7.802 -1.257 -15.661 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.214 -4.097 -15.049 1.00 0.00 C ATOM 0 H ALA A 98 -4.049 -2.957 -14.660 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.055 -2.738 -16.695 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.259 -4.340 -15.243 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.574 -4.841 -15.523 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.035 -4.097 -13.974 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.546 -1.254 -13.794 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.373 -0.261 -13.135 1.00 0.00 C ATOM 1519 C GLY A 99 -8.855 -0.522 -13.324 1.00 0.00 C ATOM 1520 O GLY A 99 -9.638 0.409 -13.505 1.00 0.00 O ATOM 0 H GLY A 99 -5.752 -1.584 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.142 -0.250 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.129 0.727 -13.525 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.239 -1.794 -13.284 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.635 -2.153 -13.455 1.00 0.00 C ATOM 1526 C GLY A 100 -10.959 -3.517 -12.879 1.00 0.00 C ATOM 1527 O GLY A 100 -10.692 -3.782 -11.706 1.00 0.00 O ATOM 0 H GLY A 100 -8.609 -2.582 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.261 -1.401 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.882 -2.143 -14.517 1.00 0.00 H new ATOM 1531 N SER A 101 -11.536 -4.384 -13.703 1.00 0.00 N ATOM 1532 CA SER A 101 -11.902 -5.727 -13.267 1.00 0.00 C ATOM 1533 C SER A 101 -10.676 -6.491 -12.775 1.00 0.00 C ATOM 1534 O SER A 101 -9.868 -6.968 -13.570 1.00 0.00 O ATOM 1535 CB SER A 101 -12.570 -6.493 -14.410 1.00 0.00 C ATOM 1536 OG SER A 101 -13.964 -6.242 -14.447 1.00 0.00 O ATOM 0 H SER A 101 -11.761 -4.181 -14.677 1.00 0.00 H new ATOM 0 HA SER A 101 -12.607 -5.635 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.120 -6.202 -15.359 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.393 -7.562 -14.288 1.00 0.00 H new ATOM 0 HG SER A 101 -14.367 -6.742 -15.187 1.00 0.00 H new ATOM 1542 N GLY A 102 -10.546 -6.602 -11.457 1.00 0.00 N ATOM 1543 CA GLY A 102 -9.417 -7.308 -10.880 1.00 0.00 C ATOM 1544 C GLY A 102 -9.706 -8.779 -10.655 1.00 0.00 C ATOM 1545 O GLY A 102 -10.842 -9.178 -10.397 1.00 0.00 O ATOM 0 H GLY A 102 -11.202 -6.216 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.554 -7.207 -11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.149 -6.844 -9.931 1.00 0.00 H new ATOM 1549 N PRO A 103 -8.661 -9.614 -10.755 1.00 0.00 N ATOM 1550 CA PRO A 103 -8.784 -11.062 -10.566 1.00 0.00 C ATOM 1551 C PRO A 103 -9.068 -11.435 -9.115 1.00 0.00 C ATOM 1552 O PRO A 103 -9.914 -12.285 -8.837 1.00 0.00 O ATOM 1553 CB PRO A 103 -7.414 -11.594 -10.996 1.00 0.00 C ATOM 1554 CG PRO A 103 -6.481 -10.452 -10.783 1.00 0.00 C ATOM 1555 CD PRO A 103 -7.279 -9.208 -11.060 1.00 0.00 C ATOM 0 HA PRO A 103 -9.616 -11.478 -11.135 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.122 -12.460 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -7.421 -11.910 -12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.094 -10.449 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.621 -10.521 -11.450 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.957 -8.376 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.174 -8.886 -12.096 1.00 0.00 H new ATOM 1563 N SER A 104 -8.357 -10.794 -8.194 1.00 0.00 N ATOM 1564 CA SER A 104 -8.531 -11.061 -6.771 1.00 0.00 C ATOM 1565 C SER A 104 -9.886 -10.556 -6.285 1.00 0.00 C ATOM 1566 O SER A 104 -10.161 -9.357 -6.314 1.00 0.00 O ATOM 1567 CB SER A 104 -7.410 -10.401 -5.965 1.00 0.00 C ATOM 1568 OG SER A 104 -7.557 -8.991 -5.947 1.00 0.00 O ATOM 0 H SER A 104 -7.655 -10.086 -8.407 1.00 0.00 H new ATOM 0 HA SER A 104 -8.489 -12.140 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.418 -10.784 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.444 -10.664 -6.397 1.00 0.00 H new ATOM 0 HG SER A 104 -8.431 -8.748 -6.319 1.00 0.00 H new ATOM 1574 N SER A 105 -10.730 -11.482 -5.838 1.00 0.00 N ATOM 1575 CA SER A 105 -12.058 -11.133 -5.349 1.00 0.00 C ATOM 1576 C SER A 105 -12.416 -11.955 -4.115 1.00 0.00 C ATOM 1577 O SER A 105 -12.514 -13.180 -4.178 1.00 0.00 O ATOM 1578 CB SER A 105 -13.103 -11.355 -6.445 1.00 0.00 C ATOM 1579 OG SER A 105 -14.254 -10.559 -6.222 1.00 0.00 O ATOM 0 H SER A 105 -10.517 -12.479 -5.805 1.00 0.00 H new ATOM 0 HA SER A 105 -12.051 -10.079 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.672 -11.113 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.385 -12.407 -6.475 1.00 0.00 H new ATOM 0 HG SER A 105 -14.905 -10.718 -6.937 1.00 0.00 H new ATOM 1585 N GLY A 106 -12.611 -11.271 -2.992 1.00 0.00 N ATOM 1586 CA GLY A 106 -12.955 -11.953 -1.758 1.00 0.00 C ATOM 1587 C GLY A 106 -13.505 -11.008 -0.708 1.00 0.00 C ATOM 1588 O GLY A 106 -13.576 -11.354 0.471 1.00 0.00 O ATOM 0 H GLY A 106 -12.537 -10.257 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.693 -12.727 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.070 -12.454 -1.364 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.248 -2.481 1.750 1.00 0.00 ZN