USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 TYR OH : rot -145:sc= 1.68 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.464 K(o=2.1,f=1.2) USER MOD Set 2.1: A 31 GLN : amide:sc= 1.16 K(o=2.1,f=-0.016) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.969 K(o=2.1,f=-0.39) USER MOD Set 3.1: A 14 TYR OH : rot 108:sc= 0.132 USER MOD Set 3.2: A 24 TYR OH : rot 30:sc= 0.13 USER MOD Set 4.1: A 7 SER OG : rot -148:sc= 0.0807 USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.0753 USER MOD Single : A 1 LYS N :NH3+ -149:sc= 0.926 (180deg=0.184) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0117) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.353 K(o=0.35,f=-3.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 158:sc= 0.677 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00605 USER MOD Single : A 37 SER OG : rot -92:sc= 1.3 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.938 33.796 37.971 1.00 0.00 N ATOM 2 CA LYS A 1 26.247 33.098 37.886 1.00 0.00 C ATOM 3 C LYS A 1 26.526 32.644 36.449 1.00 0.00 C ATOM 4 O LYS A 1 25.586 32.384 35.698 1.00 0.00 O ATOM 5 CB LYS A 1 26.331 31.909 38.868 1.00 0.00 C ATOM 6 CG LYS A 1 26.144 32.332 40.333 1.00 0.00 C ATOM 7 CD LYS A 1 26.213 31.138 41.298 1.00 0.00 C ATOM 8 CE LYS A 1 25.737 31.501 42.713 1.00 0.00 C ATOM 9 NZ LYS A 1 26.580 32.532 43.366 1.00 0.00 N ATOM 0 H1 LYS A 1 24.977 34.516 38.720 1.00 0.00 H new ATOM 0 H2 LYS A 1 24.729 34.254 37.061 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.191 33.107 38.192 1.00 0.00 H new ATOM 0 HA LYS A 1 27.018 33.811 38.178 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.570 31.174 38.607 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.299 31.419 38.757 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.912 33.057 40.600 1.00 0.00 H new ATOM 0 HG3 LYS A 1 25.182 32.831 40.445 1.00 0.00 H new ATOM 0 HD2 LYS A 1 25.601 30.324 40.909 1.00 0.00 H new ATOM 0 HD3 LYS A 1 27.238 30.771 41.345 1.00 0.00 H new ATOM 0 HE2 LYS A 1 24.709 31.860 42.663 1.00 0.00 H new ATOM 0 HE3 LYS A 1 25.731 30.602 43.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 26.208 32.733 44.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 27.557 32.184 43.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 26.567 33.403 42.797 1.00 0.00 H new ATOM 25 N GLU A 2 27.801 32.534 36.053 1.00 0.00 N ATOM 26 CA GLU A 2 28.235 32.126 34.697 1.00 0.00 C ATOM 27 C GLU A 2 29.516 31.263 34.744 1.00 0.00 C ATOM 28 O GLU A 2 30.426 31.548 35.531 1.00 0.00 O ATOM 29 CB GLU A 2 28.495 33.351 33.787 1.00 0.00 C ATOM 30 CG GLU A 2 27.330 34.352 33.678 1.00 0.00 C ATOM 31 CD GLU A 2 27.549 35.458 32.629 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.714 35.783 32.297 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.551 36.047 32.145 1.00 0.00 O ATOM 0 H GLU A 2 28.584 32.730 36.677 1.00 0.00 H new ATOM 0 HA GLU A 2 27.418 31.536 34.281 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.372 33.880 34.160 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.740 32.994 32.787 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.419 33.807 33.431 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.171 34.816 34.652 1.00 0.00 H new ATOM 40 N GLY A 3 29.634 30.237 33.892 1.00 0.00 N ATOM 41 CA GLY A 3 30.813 29.353 33.865 1.00 0.00 C ATOM 42 C GLY A 3 30.774 28.245 32.807 1.00 0.00 C ATOM 43 O GLY A 3 29.769 28.059 32.115 1.00 0.00 O ATOM 0 H GLY A 3 28.921 29.995 33.204 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.701 29.963 33.697 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.924 28.892 34.847 1.00 0.00 H new ATOM 47 N TYR A 4 31.871 27.488 32.686 1.00 0.00 N ATOM 48 CA TYR A 4 31.955 26.349 31.762 1.00 0.00 C ATOM 49 C TYR A 4 31.157 25.140 32.287 1.00 0.00 C ATOM 50 O TYR A 4 31.166 24.856 33.486 1.00 0.00 O ATOM 51 CB TYR A 4 33.426 26.006 31.456 1.00 0.00 C ATOM 52 CG TYR A 4 33.593 24.894 30.433 1.00 0.00 C ATOM 53 CD1 TYR A 4 32.897 24.958 29.212 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.398 23.771 30.712 1.00 0.00 C ATOM 55 CE1 TYR A 4 32.918 23.863 28.331 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.468 22.696 29.803 1.00 0.00 C ATOM 57 CZ TYR A 4 33.699 22.728 28.621 1.00 0.00 C ATOM 58 OH TYR A 4 33.725 21.689 27.742 1.00 0.00 O ATOM 0 H TYR A 4 32.723 27.646 33.224 1.00 0.00 H new ATOM 0 HA TYR A 4 31.490 26.633 30.818 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.931 26.901 31.093 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.922 25.714 32.382 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.346 25.850 28.951 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.966 23.734 31.630 1.00 0.00 H new ATOM 0 HE1 TYR A 4 32.331 23.892 27.425 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.108 21.851 30.011 1.00 0.00 H new ATOM 0 HH TYR A 4 34.311 20.983 28.087 1.00 0.00 H new ATOM 68 N LEU A 5 30.441 24.432 31.407 1.00 0.00 N ATOM 69 CA LEU A 5 29.470 23.405 31.799 1.00 0.00 C ATOM 70 C LEU A 5 30.134 22.119 32.338 1.00 0.00 C ATOM 71 O LEU A 5 31.131 21.637 31.799 1.00 0.00 O ATOM 72 CB LEU A 5 28.531 23.147 30.602 1.00 0.00 C ATOM 73 CG LEU A 5 27.393 22.132 30.842 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.449 22.534 31.975 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.561 21.976 29.567 1.00 0.00 C ATOM 0 H LEU A 5 30.519 24.556 30.398 1.00 0.00 H new ATOM 0 HA LEU A 5 28.883 23.769 32.642 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.087 24.096 30.302 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.132 22.797 29.763 1.00 0.00 H new ATOM 0 HG LEU A 5 27.877 21.197 31.124 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.674 21.776 32.089 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.012 22.620 32.904 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.987 23.493 31.741 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.759 21.259 29.741 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.132 22.940 29.292 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.198 21.618 28.758 1.00 0.00 H new ATOM 87 N VAL A 6 29.534 21.529 33.378 1.00 0.00 N ATOM 88 CA VAL A 6 29.859 20.199 33.925 1.00 0.00 C ATOM 89 C VAL A 6 28.590 19.534 34.475 1.00 0.00 C ATOM 90 O VAL A 6 27.685 20.226 34.951 1.00 0.00 O ATOM 91 CB VAL A 6 30.958 20.312 35.007 1.00 0.00 C ATOM 92 CG1 VAL A 6 30.466 20.927 36.321 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.612 18.961 35.327 1.00 0.00 C ATOM 0 H VAL A 6 28.775 21.982 33.886 1.00 0.00 H new ATOM 0 HA VAL A 6 30.250 19.569 33.126 1.00 0.00 H new ATOM 0 HB VAL A 6 31.693 20.982 34.562 1.00 0.00 H new ATOM 0 HG11 VAL A 6 31.291 20.974 37.032 1.00 0.00 H new ATOM 0 HG12 VAL A 6 30.090 21.933 36.134 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.666 20.312 36.734 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.376 19.099 36.092 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.854 18.267 35.691 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.071 18.556 34.425 1.00 0.00 H new ATOM 103 N SER A 7 28.532 18.199 34.442 1.00 0.00 N ATOM 104 CA SER A 7 27.501 17.409 35.124 1.00 0.00 C ATOM 105 C SER A 7 27.918 17.047 36.559 1.00 0.00 C ATOM 106 O SER A 7 29.036 16.578 36.802 1.00 0.00 O ATOM 107 CB SER A 7 27.144 16.165 34.309 1.00 0.00 C ATOM 108 OG SER A 7 26.192 15.398 35.020 1.00 0.00 O ATOM 0 H SER A 7 29.208 17.629 33.934 1.00 0.00 H new ATOM 0 HA SER A 7 26.606 18.026 35.202 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.742 16.455 33.338 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.038 15.571 34.120 1.00 0.00 H new ATOM 0 HG SER A 7 26.320 14.448 34.817 1.00 0.00 H new ATOM 114 N LYS A 8 27.005 17.228 37.521 1.00 0.00 N ATOM 115 CA LYS A 8 27.244 17.023 38.962 1.00 0.00 C ATOM 116 C LYS A 8 27.667 15.587 39.300 1.00 0.00 C ATOM 117 O LYS A 8 28.561 15.395 40.124 1.00 0.00 O ATOM 118 CB LYS A 8 25.972 17.436 39.728 1.00 0.00 C ATOM 119 CG LYS A 8 26.161 17.436 41.255 1.00 0.00 C ATOM 120 CD LYS A 8 24.850 17.819 41.958 1.00 0.00 C ATOM 121 CE LYS A 8 24.975 17.906 43.483 1.00 0.00 C ATOM 122 NZ LYS A 8 25.370 16.614 44.090 1.00 0.00 N ATOM 0 H LYS A 8 26.052 17.529 37.317 1.00 0.00 H new ATOM 0 HA LYS A 8 28.084 17.647 39.268 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.668 18.432 39.405 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.161 16.755 39.468 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.484 16.450 41.588 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.947 18.139 41.530 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.509 18.781 41.574 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.084 17.085 41.706 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.712 18.667 43.742 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.023 18.227 43.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.392 16.709 45.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.682 15.881 43.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.314 16.343 43.747 1.00 0.00 H new ATOM 136 N SER A 9 27.058 14.586 38.661 1.00 0.00 N ATOM 137 CA SER A 9 27.353 13.163 38.895 1.00 0.00 C ATOM 138 C SER A 9 28.277 12.524 37.849 1.00 0.00 C ATOM 139 O SER A 9 29.050 11.633 38.207 1.00 0.00 O ATOM 140 CB SER A 9 26.047 12.372 39.042 1.00 0.00 C ATOM 141 OG SER A 9 25.335 12.281 37.824 1.00 0.00 O ATOM 0 H SER A 9 26.336 14.738 37.957 1.00 0.00 H new ATOM 0 HA SER A 9 27.916 13.119 39.827 1.00 0.00 H new ATOM 0 HB2 SER A 9 26.271 11.369 39.405 1.00 0.00 H new ATOM 0 HB3 SER A 9 25.418 12.850 39.793 1.00 0.00 H new ATOM 0 HG SER A 9 24.512 11.768 37.964 1.00 0.00 H new ATOM 147 N THR A 10 28.240 12.977 36.586 1.00 0.00 N ATOM 148 CA THR A 10 28.941 12.328 35.454 1.00 0.00 C ATOM 149 C THR A 10 29.905 13.228 34.662 1.00 0.00 C ATOM 150 O THR A 10 30.388 12.834 33.596 1.00 0.00 O ATOM 151 CB THR A 10 27.963 11.567 34.536 1.00 0.00 C ATOM 152 OG1 THR A 10 26.863 12.366 34.159 1.00 0.00 O ATOM 153 CG2 THR A 10 27.403 10.332 35.238 1.00 0.00 C ATOM 0 H THR A 10 27.720 13.811 36.314 1.00 0.00 H new ATOM 0 HA THR A 10 29.601 11.601 35.928 1.00 0.00 H new ATOM 0 HB THR A 10 28.537 11.286 33.653 1.00 0.00 H new ATOM 0 HG1 THR A 10 26.268 11.849 33.577 1.00 0.00 H new ATOM 0 HG21 THR A 10 26.716 9.813 34.569 1.00 0.00 H new ATOM 0 HG22 THR A 10 28.221 9.664 35.507 1.00 0.00 H new ATOM 0 HG23 THR A 10 26.871 10.636 36.140 1.00 0.00 H new ATOM 161 N GLY A 11 30.283 14.390 35.200 1.00 0.00 N ATOM 162 CA GLY A 11 31.525 15.081 34.835 1.00 0.00 C ATOM 163 C GLY A 11 31.533 15.835 33.501 1.00 0.00 C ATOM 164 O GLY A 11 30.652 16.649 33.222 1.00 0.00 O ATOM 0 H GLY A 11 29.734 14.882 35.905 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.764 15.791 35.627 1.00 0.00 H new ATOM 0 HA3 GLY A 11 32.329 14.345 34.813 1.00 0.00 H new ATOM 168 N CYS A 12 32.600 15.630 32.727 1.00 0.00 N ATOM 169 CA CYS A 12 33.077 16.540 31.681 1.00 0.00 C ATOM 170 C CYS A 12 32.175 16.632 30.432 1.00 0.00 C ATOM 171 O CYS A 12 31.433 15.697 30.101 1.00 0.00 O ATOM 172 CB CYS A 12 34.500 16.096 31.307 1.00 0.00 C ATOM 173 SG CYS A 12 35.458 17.199 30.240 1.00 0.00 S ATOM 0 H CYS A 12 33.178 14.794 32.814 1.00 0.00 H new ATOM 0 HA CYS A 12 33.058 17.552 32.085 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.061 15.948 32.230 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.433 15.125 30.816 1.00 0.00 H new ATOM 178 N LYS A 13 32.290 17.754 29.711 1.00 0.00 N ATOM 179 CA LYS A 13 31.671 18.051 28.403 1.00 0.00 C ATOM 180 C LYS A 13 32.708 18.054 27.265 1.00 0.00 C ATOM 181 O LYS A 13 33.917 18.093 27.514 1.00 0.00 O ATOM 182 CB LYS A 13 30.932 19.399 28.502 1.00 0.00 C ATOM 183 CG LYS A 13 29.858 19.468 29.607 1.00 0.00 C ATOM 184 CD LYS A 13 28.744 18.416 29.517 1.00 0.00 C ATOM 185 CE LYS A 13 27.911 18.592 28.243 1.00 0.00 C ATOM 186 NZ LYS A 13 27.135 17.376 27.925 1.00 0.00 N ATOM 0 H LYS A 13 32.855 18.535 30.044 1.00 0.00 H new ATOM 0 HA LYS A 13 30.958 17.264 28.158 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.665 20.187 28.677 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.460 19.610 27.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 30.351 19.367 30.574 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.401 20.457 29.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 29.182 17.418 29.532 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.097 18.494 30.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.232 19.435 28.366 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.569 18.832 27.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.584 17.533 27.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.785 16.577 27.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.489 17.161 28.711 1.00 0.00 H new ATOM 200 N TYR A 14 32.249 18.024 26.011 1.00 0.00 N ATOM 201 CA TYR A 14 33.105 17.922 24.816 1.00 0.00 C ATOM 202 C TYR A 14 32.903 19.093 23.833 1.00 0.00 C ATOM 203 O TYR A 14 32.129 20.013 24.097 1.00 0.00 O ATOM 204 CB TYR A 14 32.959 16.522 24.185 1.00 0.00 C ATOM 205 CG TYR A 14 31.652 16.190 23.490 1.00 0.00 C ATOM 206 CD1 TYR A 14 30.556 15.737 24.245 1.00 0.00 C ATOM 207 CD2 TYR A 14 31.555 16.255 22.083 1.00 0.00 C ATOM 208 CE1 TYR A 14 29.347 15.405 23.608 1.00 0.00 C ATOM 209 CE2 TYR A 14 30.352 15.900 21.441 1.00 0.00 C ATOM 210 CZ TYR A 14 29.236 15.496 22.203 1.00 0.00 C ATOM 211 OH TYR A 14 28.054 15.211 21.595 1.00 0.00 O ATOM 0 H TYR A 14 31.255 18.071 25.789 1.00 0.00 H new ATOM 0 HA TYR A 14 34.147 18.024 25.120 1.00 0.00 H new ATOM 0 HB2 TYR A 14 33.764 16.396 23.461 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.117 15.783 24.970 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.643 15.644 25.317 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.404 16.577 21.498 1.00 0.00 H new ATOM 0 HE1 TYR A 14 28.501 15.079 24.195 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.284 15.937 20.364 1.00 0.00 H new ATOM 0 HH TYR A 14 27.647 16.040 21.267 1.00 0.00 H new ATOM 221 N GLU A 15 33.657 19.112 22.732 1.00 0.00 N ATOM 222 CA GLU A 15 33.686 20.200 21.740 1.00 0.00 C ATOM 223 C GLU A 15 32.300 20.596 21.193 1.00 0.00 C ATOM 224 O GLU A 15 31.451 19.741 20.935 1.00 0.00 O ATOM 225 CB GLU A 15 34.621 19.753 20.593 1.00 0.00 C ATOM 226 CG GLU A 15 34.585 20.632 19.334 1.00 0.00 C ATOM 227 CD GLU A 15 35.534 20.132 18.242 1.00 0.00 C ATOM 228 OE1 GLU A 15 35.431 18.955 17.816 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.347 20.936 17.731 1.00 0.00 O ATOM 0 H GLU A 15 34.287 18.346 22.494 1.00 0.00 H new ATOM 0 HA GLU A 15 34.052 21.100 22.234 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.644 19.728 20.969 1.00 0.00 H new ATOM 0 HB3 GLU A 15 34.360 18.733 20.311 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.568 20.659 18.943 1.00 0.00 H new ATOM 0 HG3 GLU A 15 34.851 21.655 19.601 1.00 0.00 H new ATOM 236 N CYS A 16 32.099 21.899 20.967 1.00 0.00 N ATOM 237 CA CYS A 16 30.858 22.492 20.452 1.00 0.00 C ATOM 238 C CYS A 16 30.659 22.283 18.932 1.00 0.00 C ATOM 239 O CYS A 16 31.623 22.206 18.163 1.00 0.00 O ATOM 240 CB CYS A 16 30.840 23.971 20.859 1.00 0.00 C ATOM 241 SG CYS A 16 29.375 24.913 20.360 1.00 0.00 S ATOM 0 H CYS A 16 32.822 22.596 21.144 1.00 0.00 H new ATOM 0 HA CYS A 16 30.005 21.978 20.895 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.934 24.030 21.943 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.720 24.455 20.436 1.00 0.00 H new ATOM 246 N LEU A 17 29.399 22.206 18.489 1.00 0.00 N ATOM 247 CA LEU A 17 29.030 21.807 17.124 1.00 0.00 C ATOM 248 C LEU A 17 29.207 22.905 16.055 1.00 0.00 C ATOM 249 O LEU A 17 29.591 22.579 14.930 1.00 0.00 O ATOM 250 CB LEU A 17 27.588 21.267 17.170 1.00 0.00 C ATOM 251 CG LEU A 17 27.062 20.682 15.845 1.00 0.00 C ATOM 252 CD1 LEU A 17 27.919 19.530 15.322 1.00 0.00 C ATOM 253 CD2 LEU A 17 25.643 20.162 16.053 1.00 0.00 C ATOM 0 H LEU A 17 28.594 22.422 19.077 1.00 0.00 H new ATOM 0 HA LEU A 17 29.726 21.034 16.799 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.531 20.495 17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 17 26.925 22.074 17.480 1.00 0.00 H new ATOM 0 HG LEU A 17 27.093 21.486 15.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.499 19.159 14.387 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.936 19.882 15.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.934 18.725 16.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 25.267 19.747 15.118 1.00 0.00 H new ATOM 0 HD22 LEU A 17 25.648 19.386 16.818 1.00 0.00 H new ATOM 0 HD23 LEU A 17 24.998 20.981 16.372 1.00 0.00 H new ATOM 265 N LYS A 18 28.934 24.180 16.372 1.00 0.00 N ATOM 266 CA LYS A 18 28.969 25.304 15.408 1.00 0.00 C ATOM 267 C LYS A 18 29.630 26.560 15.995 1.00 0.00 C ATOM 268 O LYS A 18 29.650 26.751 17.215 1.00 0.00 O ATOM 269 CB LYS A 18 27.542 25.635 14.912 1.00 0.00 C ATOM 270 CG LYS A 18 26.713 24.418 14.457 1.00 0.00 C ATOM 271 CD LYS A 18 25.352 24.833 13.879 1.00 0.00 C ATOM 272 CE LYS A 18 24.498 23.595 13.568 1.00 0.00 C ATOM 273 NZ LYS A 18 23.192 23.976 12.982 1.00 0.00 N ATOM 0 H LYS A 18 28.679 24.469 17.316 1.00 0.00 H new ATOM 0 HA LYS A 18 29.580 24.981 14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.004 26.144 15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.616 26.337 14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.271 23.860 13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.559 23.748 15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.829 25.473 14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.499 25.418 12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.034 22.945 12.876 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.336 23.023 14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.638 23.119 12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.672 24.576 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.348 24.501 12.098 1.00 0.00 H new ATOM 287 N LEU A 19 30.143 27.443 15.132 1.00 0.00 N ATOM 288 CA LEU A 19 30.633 28.782 15.495 1.00 0.00 C ATOM 289 C LEU A 19 29.636 29.870 15.047 1.00 0.00 C ATOM 290 O LEU A 19 29.089 29.809 13.942 1.00 0.00 O ATOM 291 CB LEU A 19 32.051 28.980 14.923 1.00 0.00 C ATOM 292 CG LEU A 19 32.756 30.273 15.378 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.087 30.257 16.873 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.066 30.447 14.614 1.00 0.00 C ATOM 0 H LEU A 19 30.232 27.244 14.136 1.00 0.00 H new ATOM 0 HA LEU A 19 30.704 28.873 16.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.666 28.127 15.210 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.992 28.978 13.835 1.00 0.00 H new ATOM 0 HG LEU A 19 32.067 31.094 15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.583 31.189 17.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.167 30.153 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.747 29.418 17.090 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.559 31.363 14.941 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.717 29.595 14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.859 30.508 13.546 1.00 0.00 H new ATOM 306 N GLY A 20 29.384 30.862 15.905 1.00 0.00 N ATOM 307 CA GLY A 20 28.375 31.912 15.691 1.00 0.00 C ATOM 308 C GLY A 20 26.918 31.447 15.852 1.00 0.00 C ATOM 309 O GLY A 20 25.996 32.222 15.598 1.00 0.00 O ATOM 0 H GLY A 20 29.885 30.963 16.788 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.562 32.725 16.393 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.503 32.321 14.689 1.00 0.00 H new ATOM 313 N ASP A 21 26.698 30.191 16.247 1.00 0.00 N ATOM 314 CA ASP A 21 25.396 29.536 16.404 1.00 0.00 C ATOM 315 C ASP A 21 25.476 28.558 17.593 1.00 0.00 C ATOM 316 O ASP A 21 26.490 27.871 17.756 1.00 0.00 O ATOM 317 CB ASP A 21 25.034 28.829 15.087 1.00 0.00 C ATOM 318 CG ASP A 21 23.575 28.381 15.032 1.00 0.00 C ATOM 319 OD1 ASP A 21 23.171 27.500 15.829 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.817 28.905 14.183 1.00 0.00 O ATOM 0 H ASP A 21 27.470 29.566 16.480 1.00 0.00 H new ATOM 0 HA ASP A 21 24.609 30.259 16.619 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.233 29.502 14.253 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.680 27.961 14.958 1.00 0.00 H new ATOM 325 N ASN A 22 24.464 28.544 18.470 1.00 0.00 N ATOM 326 CA ASN A 22 24.599 28.015 19.835 1.00 0.00 C ATOM 327 C ASN A 22 23.385 27.240 20.376 1.00 0.00 C ATOM 328 O ASN A 22 23.340 26.938 21.570 1.00 0.00 O ATOM 329 CB ASN A 22 24.989 29.159 20.800 1.00 0.00 C ATOM 330 CG ASN A 22 26.180 29.993 20.361 1.00 0.00 C ATOM 331 OD1 ASN A 22 27.327 29.666 20.629 1.00 0.00 O ATOM 332 ND2 ASN A 22 25.949 31.091 19.681 1.00 0.00 N ATOM 0 H ASN A 22 23.532 28.897 18.255 1.00 0.00 H new ATOM 0 HA ASN A 22 25.389 27.266 19.776 1.00 0.00 H new ATOM 0 HB2 ASN A 22 24.130 29.818 20.924 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.206 28.730 21.778 1.00 0.00 H new ATOM 0 HD21 ASN A 22 26.728 31.674 19.374 1.00 0.00 H new ATOM 0 HD22 ASN A 22 24.991 31.361 19.459 1.00 0.00 H new ATOM 339 N ASP A 23 22.426 26.864 19.532 1.00 0.00 N ATOM 340 CA ASP A 23 21.213 26.141 19.972 1.00 0.00 C ATOM 341 C ASP A 23 21.554 24.758 20.573 1.00 0.00 C ATOM 342 O ASP A 23 20.986 24.338 21.584 1.00 0.00 O ATOM 343 CB ASP A 23 20.150 26.107 18.849 1.00 0.00 C ATOM 344 CG ASP A 23 20.075 24.812 18.028 1.00 0.00 C ATOM 345 OD1 ASP A 23 19.488 23.812 18.503 1.00 0.00 O ATOM 346 OD2 ASP A 23 20.578 24.771 16.879 1.00 0.00 O ATOM 0 H ASP A 23 22.458 27.046 18.529 1.00 0.00 H new ATOM 0 HA ASP A 23 20.756 26.694 20.793 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.172 26.286 19.297 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.345 26.935 18.167 1.00 0.00 H new ATOM 351 N TYR A 24 22.602 24.125 20.035 1.00 0.00 N ATOM 352 CA TYR A 24 23.232 22.901 20.544 1.00 0.00 C ATOM 353 C TYR A 24 23.851 23.048 21.955 1.00 0.00 C ATOM 354 O TYR A 24 23.999 22.054 22.673 1.00 0.00 O ATOM 355 CB TYR A 24 24.288 22.504 19.499 1.00 0.00 C ATOM 356 CG TYR A 24 25.201 21.363 19.888 1.00 0.00 C ATOM 357 CD1 TYR A 24 26.406 21.638 20.562 1.00 0.00 C ATOM 358 CD2 TYR A 24 24.853 20.036 19.571 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.250 20.583 20.947 1.00 0.00 C ATOM 360 CE2 TYR A 24 25.708 18.980 19.941 1.00 0.00 C ATOM 361 CZ TYR A 24 26.898 19.250 20.645 1.00 0.00 C ATOM 362 OH TYR A 24 27.707 18.225 21.015 1.00 0.00 O ATOM 0 H TYR A 24 23.057 24.470 19.190 1.00 0.00 H new ATOM 0 HA TYR A 24 22.475 22.128 20.676 1.00 0.00 H new ATOM 0 HB2 TYR A 24 23.775 22.236 18.575 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.902 23.378 19.280 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.681 22.659 20.783 1.00 0.00 H new ATOM 0 HD2 TYR A 24 23.933 19.829 19.045 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.169 20.792 21.474 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.451 17.963 19.685 1.00 0.00 H new ATOM 0 HH TYR A 24 28.189 18.468 21.833 1.00 0.00 H new ATOM 372 N CYS A 25 24.195 24.270 22.373 1.00 0.00 N ATOM 373 CA CYS A 25 24.711 24.592 23.710 1.00 0.00 C ATOM 374 C CYS A 25 23.581 25.025 24.663 1.00 0.00 C ATOM 375 O CYS A 25 23.509 24.540 25.792 1.00 0.00 O ATOM 376 CB CYS A 25 25.811 25.653 23.552 1.00 0.00 C ATOM 377 SG CYS A 25 26.500 26.364 25.074 1.00 0.00 S ATOM 0 H CYS A 25 24.120 25.090 21.771 1.00 0.00 H new ATOM 0 HA CYS A 25 25.145 23.706 24.174 1.00 0.00 H new ATOM 0 HB2 CYS A 25 26.630 25.210 22.985 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.411 26.468 22.949 1.00 0.00 H new ATOM 382 N LEU A 26 22.641 25.856 24.192 1.00 0.00 N ATOM 383 CA LEU A 26 21.479 26.313 24.968 1.00 0.00 C ATOM 384 C LEU A 26 20.648 25.130 25.489 1.00 0.00 C ATOM 385 O LEU A 26 20.356 25.063 26.685 1.00 0.00 O ATOM 386 CB LEU A 26 20.662 27.279 24.080 1.00 0.00 C ATOM 387 CG LEU A 26 19.499 28.059 24.733 1.00 0.00 C ATOM 388 CD1 LEU A 26 18.242 27.222 24.978 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.908 28.729 26.045 1.00 0.00 C ATOM 0 H LEU A 26 22.667 26.236 23.246 1.00 0.00 H new ATOM 0 HA LEU A 26 21.805 26.846 25.861 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.353 28.006 23.654 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.253 26.703 23.250 1.00 0.00 H new ATOM 0 HG LEU A 26 19.252 28.821 23.994 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.475 27.844 25.438 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.873 26.833 24.029 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.482 26.391 25.642 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.054 29.263 26.462 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.242 27.970 26.752 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.720 29.432 25.857 1.00 0.00 H new ATOM 401 N ARG A 27 20.358 24.148 24.619 1.00 0.00 N ATOM 402 CA ARG A 27 19.682 22.885 24.972 1.00 0.00 C ATOM 403 C ARG A 27 20.385 22.122 26.104 1.00 0.00 C ATOM 404 O ARG A 27 19.714 21.505 26.930 1.00 0.00 O ATOM 405 CB ARG A 27 19.559 22.046 23.684 1.00 0.00 C ATOM 406 CG ARG A 27 18.974 20.637 23.897 1.00 0.00 C ATOM 407 CD ARG A 27 18.530 19.957 22.590 1.00 0.00 C ATOM 408 NE ARG A 27 19.601 19.864 21.579 1.00 0.00 N ATOM 409 CZ ARG A 27 19.775 20.628 20.514 1.00 0.00 C ATOM 410 NH1 ARG A 27 19.017 21.645 20.228 1.00 0.00 N ATOM 411 NH2 ARG A 27 20.742 20.353 19.696 1.00 0.00 N ATOM 0 H ARG A 27 20.592 24.210 23.628 1.00 0.00 H new ATOM 0 HA ARG A 27 18.692 23.104 25.371 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.931 22.583 22.973 1.00 0.00 H new ATOM 0 HB3 ARG A 27 20.546 21.952 23.230 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.720 20.012 24.388 1.00 0.00 H new ATOM 0 HG3 ARG A 27 18.120 20.704 24.571 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.168 18.954 22.817 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.691 20.511 22.169 1.00 0.00 H new ATOM 0 HE ARG A 27 20.288 19.123 21.718 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.239 21.889 20.841 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.200 22.198 19.391 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.354 19.558 19.879 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.891 20.932 18.869 1.00 0.00 H new ATOM 425 N GLU A 28 21.712 22.204 26.183 1.00 0.00 N ATOM 426 CA GLU A 28 22.525 21.523 27.194 1.00 0.00 C ATOM 427 C GLU A 28 22.475 22.235 28.557 1.00 0.00 C ATOM 428 O GLU A 28 22.186 21.599 29.573 1.00 0.00 O ATOM 429 CB GLU A 28 23.970 21.399 26.674 1.00 0.00 C ATOM 430 CG GLU A 28 24.588 20.037 26.995 1.00 0.00 C ATOM 431 CD GLU A 28 24.015 18.939 26.092 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.427 18.858 24.906 1.00 0.00 O ATOM 433 OE2 GLU A 28 23.199 18.117 26.571 1.00 0.00 O ATOM 0 H GLU A 28 22.267 22.759 25.531 1.00 0.00 H new ATOM 0 HA GLU A 28 22.113 20.528 27.360 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.980 21.555 25.595 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.581 22.186 27.116 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.670 20.087 26.869 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.400 19.787 28.039 1.00 0.00 H new ATOM 440 N CYS A 29 22.656 23.564 28.579 1.00 0.00 N ATOM 441 CA CYS A 29 22.491 24.384 29.788 1.00 0.00 C ATOM 442 C CYS A 29 21.074 24.221 30.379 1.00 0.00 C ATOM 443 O CYS A 29 20.904 24.009 31.584 1.00 0.00 O ATOM 444 CB CYS A 29 22.766 25.858 29.440 1.00 0.00 C ATOM 445 SG CYS A 29 24.385 26.234 28.704 1.00 0.00 S ATOM 0 H CYS A 29 22.922 24.102 27.755 1.00 0.00 H new ATOM 0 HA CYS A 29 23.202 24.050 30.543 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.992 26.195 28.750 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.661 26.448 30.350 1.00 0.00 H new ATOM 450 N LYS A 30 20.061 24.224 29.499 1.00 0.00 N ATOM 451 CA LYS A 30 18.643 24.004 29.816 1.00 0.00 C ATOM 452 C LYS A 30 18.358 22.622 30.411 1.00 0.00 C ATOM 453 O LYS A 30 17.474 22.517 31.263 1.00 0.00 O ATOM 454 CB LYS A 30 17.844 24.244 28.524 1.00 0.00 C ATOM 455 CG LYS A 30 16.322 24.118 28.673 1.00 0.00 C ATOM 456 CD LYS A 30 15.657 24.573 27.370 1.00 0.00 C ATOM 457 CE LYS A 30 14.135 24.427 27.418 1.00 0.00 C ATOM 458 NZ LYS A 30 13.532 25.035 26.214 1.00 0.00 N ATOM 0 H LYS A 30 20.215 24.387 28.504 1.00 0.00 H new ATOM 0 HA LYS A 30 18.340 24.702 30.596 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.077 25.241 28.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.181 23.534 27.769 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.049 23.086 28.895 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.973 24.727 29.507 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.915 25.614 27.177 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.051 23.988 26.539 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.864 23.373 27.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.743 24.908 28.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.498 24.932 26.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.778 26.045 26.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.895 24.557 25.365 1.00 0.00 H new ATOM 472 N GLN A 31 19.099 21.579 30.021 1.00 0.00 N ATOM 473 CA GLN A 31 18.910 20.226 30.561 1.00 0.00 C ATOM 474 C GLN A 31 19.283 20.184 32.049 1.00 0.00 C ATOM 475 O GLN A 31 18.457 19.801 32.884 1.00 0.00 O ATOM 476 CB GLN A 31 19.711 19.190 29.744 1.00 0.00 C ATOM 477 CG GLN A 31 19.330 17.748 30.126 1.00 0.00 C ATOM 478 CD GLN A 31 20.178 16.699 29.410 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.837 16.207 28.340 1.00 0.00 O ATOM 480 NE2 GLN A 31 21.310 16.319 29.953 1.00 0.00 N ATOM 0 H GLN A 31 19.843 21.647 29.326 1.00 0.00 H new ATOM 0 HA GLN A 31 17.856 19.963 30.475 1.00 0.00 H new ATOM 0 HB2 GLN A 31 19.529 19.345 28.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.778 19.341 29.910 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.439 17.622 31.203 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.279 17.581 29.890 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.608 16.719 30.843 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.892 15.624 29.485 1.00 0.00 H new ATOM 489 N GLN A 32 20.501 20.617 32.390 1.00 0.00 N ATOM 490 CA GLN A 32 21.037 20.476 33.748 1.00 0.00 C ATOM 491 C GLN A 32 20.486 21.530 34.725 1.00 0.00 C ATOM 492 O GLN A 32 20.174 21.179 35.865 1.00 0.00 O ATOM 493 CB GLN A 32 22.577 20.509 33.726 1.00 0.00 C ATOM 494 CG GLN A 32 23.251 19.479 32.800 1.00 0.00 C ATOM 495 CD GLN A 32 22.864 18.029 33.086 1.00 0.00 C ATOM 496 OE1 GLN A 32 21.996 17.456 32.438 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.451 17.382 34.066 1.00 0.00 N ATOM 0 H GLN A 32 21.139 21.072 31.738 1.00 0.00 H new ATOM 0 HA GLN A 32 20.703 19.506 34.117 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.897 21.506 33.424 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.941 20.351 34.741 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.995 19.714 31.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 24.333 19.579 32.891 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.176 17.841 34.618 1.00 0.00 H new ATOM 0 HE22 GLN A 32 23.182 16.421 34.276 1.00 0.00 H new ATOM 506 N TYR A 33 20.343 22.794 34.295 1.00 0.00 N ATOM 507 CA TYR A 33 20.143 23.940 35.203 1.00 0.00 C ATOM 508 C TYR A 33 18.952 24.861 34.852 1.00 0.00 C ATOM 509 O TYR A 33 18.865 25.983 35.364 1.00 0.00 O ATOM 510 CB TYR A 33 21.482 24.688 35.372 1.00 0.00 C ATOM 511 CG TYR A 33 22.647 23.804 35.807 1.00 0.00 C ATOM 512 CD1 TYR A 33 22.524 22.984 36.948 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.835 23.762 35.050 1.00 0.00 C ATOM 514 CE1 TYR A 33 23.550 22.083 37.294 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.874 22.878 35.409 1.00 0.00 C ATOM 516 CZ TYR A 33 24.721 22.017 36.514 1.00 0.00 C ATOM 517 OH TYR A 33 25.682 21.109 36.829 1.00 0.00 O ATOM 0 H TYR A 33 20.362 23.052 33.308 1.00 0.00 H new ATOM 0 HA TYR A 33 19.836 23.539 36.169 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.738 25.167 34.427 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.350 25.482 36.107 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.637 23.047 37.561 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.950 24.408 34.193 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.439 21.443 38.157 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.789 22.861 34.836 1.00 0.00 H new ATOM 0 HH TYR A 33 26.234 20.929 36.039 1.00 0.00 H new ATOM 527 N GLY A 34 17.998 24.370 34.049 1.00 0.00 N ATOM 528 CA GLY A 34 16.658 24.950 33.863 1.00 0.00 C ATOM 529 C GLY A 34 16.508 25.968 32.723 1.00 0.00 C ATOM 530 O GLY A 34 17.487 26.547 32.251 1.00 0.00 O ATOM 0 H GLY A 34 18.142 23.528 33.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.954 24.136 33.689 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.362 25.433 34.794 1.00 0.00 H new ATOM 534 N LYS A 35 15.263 26.204 32.273 1.00 0.00 N ATOM 535 CA LYS A 35 14.915 27.110 31.149 1.00 0.00 C ATOM 536 C LYS A 35 15.195 28.603 31.408 1.00 0.00 C ATOM 537 O LYS A 35 15.254 29.399 30.466 1.00 0.00 O ATOM 538 CB LYS A 35 13.459 26.848 30.706 1.00 0.00 C ATOM 539 CG LYS A 35 12.385 27.304 31.714 1.00 0.00 C ATOM 540 CD LYS A 35 10.980 26.832 31.296 1.00 0.00 C ATOM 541 CE LYS A 35 9.915 27.369 32.260 1.00 0.00 C ATOM 542 NZ LYS A 35 8.576 26.788 32.001 1.00 0.00 N ATOM 0 H LYS A 35 14.444 25.760 32.689 1.00 0.00 H new ATOM 0 HA LYS A 35 15.591 26.867 30.330 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.286 27.356 29.757 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.336 25.780 30.523 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.623 26.911 32.703 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.396 28.391 31.792 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.764 27.171 30.283 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.947 25.743 31.281 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.212 27.148 33.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.861 28.454 32.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.890 27.181 32.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.279 27.020 31.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.618 25.755 32.112 1.00 0.00 H new ATOM 556 N SER A 36 15.432 28.967 32.666 1.00 0.00 N ATOM 557 CA SER A 36 15.964 30.264 33.109 1.00 0.00 C ATOM 558 C SER A 36 17.369 30.568 32.560 1.00 0.00 C ATOM 559 O SER A 36 17.664 31.724 32.243 1.00 0.00 O ATOM 560 CB SER A 36 16.033 30.243 34.642 1.00 0.00 C ATOM 561 OG SER A 36 16.738 29.086 35.070 1.00 0.00 O ATOM 0 H SER A 36 15.251 28.337 33.448 1.00 0.00 H new ATOM 0 HA SER A 36 15.301 31.041 32.730 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.532 31.141 35.006 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.027 30.245 35.062 1.00 0.00 H new ATOM 0 HG SER A 36 16.783 29.074 36.049 1.00 0.00 H new ATOM 567 N SER A 37 18.210 29.534 32.422 1.00 0.00 N ATOM 568 CA SER A 37 19.619 29.622 32.008 1.00 0.00 C ATOM 569 C SER A 37 19.813 30.130 30.573 1.00 0.00 C ATOM 570 O SER A 37 18.881 30.151 29.764 1.00 0.00 O ATOM 571 CB SER A 37 20.317 28.262 32.172 1.00 0.00 C ATOM 572 OG SER A 37 19.794 27.303 31.270 1.00 0.00 O ATOM 0 H SER A 37 17.916 28.574 32.603 1.00 0.00 H new ATOM 0 HA SER A 37 20.074 30.361 32.667 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.388 28.378 32.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.192 27.908 33.195 1.00 0.00 H new ATOM 0 HG SER A 37 19.061 26.816 31.700 1.00 0.00 H new ATOM 578 N GLY A 38 21.040 30.504 30.224 1.00 0.00 N ATOM 579 CA GLY A 38 21.488 30.759 28.853 1.00 0.00 C ATOM 580 C GLY A 38 22.813 30.061 28.540 1.00 0.00 C ATOM 581 O GLY A 38 23.335 29.317 29.370 1.00 0.00 O ATOM 0 H GLY A 38 21.780 30.644 30.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.725 30.417 28.154 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.600 31.833 28.703 1.00 0.00 H new ATOM 585 N GLY A 39 23.373 30.313 27.353 1.00 0.00 N ATOM 586 CA GLY A 39 24.716 29.841 27.000 1.00 0.00 C ATOM 587 C GLY A 39 25.209 30.220 25.599 1.00 0.00 C ATOM 588 O GLY A 39 24.427 30.648 24.742 1.00 0.00 O ATOM 0 H GLY A 39 22.913 30.846 26.615 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.422 30.233 27.732 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.734 28.755 27.090 1.00 0.00 H new ATOM 592 N TYR A 40 26.520 30.082 25.378 1.00 0.00 N ATOM 593 CA TYR A 40 27.207 30.267 24.092 1.00 0.00 C ATOM 594 C TYR A 40 28.555 29.517 24.052 1.00 0.00 C ATOM 595 O TYR A 40 29.111 29.157 25.091 1.00 0.00 O ATOM 596 CB TYR A 40 27.403 31.765 23.787 1.00 0.00 C ATOM 597 CG TYR A 40 28.449 32.491 24.620 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.137 32.951 25.916 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.721 32.755 24.076 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.093 33.668 26.665 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.676 33.473 24.820 1.00 0.00 C ATOM 602 CZ TYR A 40 30.368 33.929 26.119 1.00 0.00 C ATOM 603 OH TYR A 40 31.270 34.664 26.823 1.00 0.00 O ATOM 0 H TYR A 40 27.164 29.826 26.126 1.00 0.00 H new ATOM 0 HA TYR A 40 26.572 29.838 23.317 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.671 31.868 22.736 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.447 32.270 23.923 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.162 32.753 26.337 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.965 32.405 23.084 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.849 34.018 27.657 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.648 33.676 24.395 1.00 0.00 H new ATOM 0 HH TYR A 40 32.098 34.750 26.305 1.00 0.00 H new ATOM 613 N CYS A 41 29.107 29.278 22.859 1.00 0.00 N ATOM 614 CA CYS A 41 30.388 28.582 22.702 1.00 0.00 C ATOM 615 C CYS A 41 31.575 29.564 22.649 1.00 0.00 C ATOM 616 O CYS A 41 31.936 30.087 21.590 1.00 0.00 O ATOM 617 CB CYS A 41 30.312 27.591 21.537 1.00 0.00 C ATOM 618 SG CYS A 41 29.127 26.257 21.867 1.00 0.00 S ATOM 0 H CYS A 41 28.680 29.561 21.977 1.00 0.00 H new ATOM 0 HA CYS A 41 30.586 27.982 23.590 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.022 28.119 20.629 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.299 27.165 21.357 1.00 0.00 H new ATOM 623 N TYR A 42 32.177 29.812 23.817 1.00 0.00 N ATOM 624 CA TYR A 42 33.209 30.838 24.055 1.00 0.00 C ATOM 625 C TYR A 42 34.615 30.494 23.522 1.00 0.00 C ATOM 626 O TYR A 42 35.369 31.398 23.161 1.00 0.00 O ATOM 627 CB TYR A 42 33.276 31.137 25.567 1.00 0.00 C ATOM 628 CG TYR A 42 33.985 30.089 26.419 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.490 28.770 26.484 1.00 0.00 C ATOM 630 CD2 TYR A 42 35.152 30.422 27.139 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.162 27.789 27.229 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.803 29.452 27.931 1.00 0.00 C ATOM 633 CZ TYR A 42 35.310 28.129 27.967 1.00 0.00 C ATOM 634 OH TYR A 42 35.919 27.165 28.698 1.00 0.00 O ATOM 0 H TYR A 42 31.952 29.284 24.660 1.00 0.00 H new ATOM 0 HA TYR A 42 32.901 31.714 23.484 1.00 0.00 H new ATOM 0 HB2 TYR A 42 33.780 32.093 25.707 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.259 31.254 25.941 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.584 28.512 25.955 1.00 0.00 H new ATOM 0 HD2 TYR A 42 35.549 31.425 27.084 1.00 0.00 H new ATOM 0 HE1 TYR A 42 33.798 26.772 27.236 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.676 29.721 28.508 1.00 0.00 H new ATOM 0 HH TYR A 42 36.281 27.557 29.520 1.00 0.00 H new ATOM 644 N ALA A 43 34.977 29.208 23.495 1.00 0.00 N ATOM 645 CA ALA A 43 36.306 28.716 23.105 1.00 0.00 C ATOM 646 C ALA A 43 36.237 27.257 22.600 1.00 0.00 C ATOM 647 O ALA A 43 36.811 26.338 23.192 1.00 0.00 O ATOM 648 CB ALA A 43 37.257 28.901 24.298 1.00 0.00 C ATOM 0 H ALA A 43 34.336 28.457 23.751 1.00 0.00 H new ATOM 0 HA ALA A 43 36.694 29.291 22.264 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.251 28.542 24.030 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.311 29.958 24.559 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.884 28.335 25.152 1.00 0.00 H new ATOM 654 N PHE A 44 35.453 27.033 21.538 1.00 0.00 N ATOM 655 CA PHE A 44 35.126 25.724 20.939 1.00 0.00 C ATOM 656 C PHE A 44 34.461 24.717 21.899 1.00 0.00 C ATOM 657 O PHE A 44 34.467 23.507 21.664 1.00 0.00 O ATOM 658 CB PHE A 44 36.335 25.155 20.179 1.00 0.00 C ATOM 659 CG PHE A 44 36.924 26.092 19.141 1.00 0.00 C ATOM 660 CD1 PHE A 44 36.187 26.418 17.985 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.219 26.616 19.313 1.00 0.00 C ATOM 662 CE1 PHE A 44 36.744 27.257 17.004 1.00 0.00 C ATOM 663 CE2 PHE A 44 38.774 27.458 18.332 1.00 0.00 C ATOM 664 CZ PHE A 44 38.038 27.777 17.178 1.00 0.00 C ATOM 0 H PHE A 44 35.002 27.802 21.042 1.00 0.00 H new ATOM 0 HA PHE A 44 34.338 25.910 20.209 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.112 24.896 20.899 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.036 24.230 19.687 1.00 0.00 H new ATOM 0 HD1 PHE A 44 35.191 26.022 17.852 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.787 26.372 20.199 1.00 0.00 H new ATOM 0 HE1 PHE A 44 36.178 27.502 16.117 1.00 0.00 H new ATOM 0 HE2 PHE A 44 39.767 27.860 18.466 1.00 0.00 H new ATOM 0 HZ PHE A 44 38.467 28.422 16.425 1.00 0.00 H new ATOM 674 N ALA A 45 33.855 25.216 22.977 1.00 0.00 N ATOM 675 CA ALA A 45 33.187 24.450 24.025 1.00 0.00 C ATOM 676 C ALA A 45 32.046 25.285 24.644 1.00 0.00 C ATOM 677 O ALA A 45 32.091 26.516 24.587 1.00 0.00 O ATOM 678 CB ALA A 45 34.250 24.052 25.056 1.00 0.00 C ATOM 0 H ALA A 45 33.816 26.220 23.150 1.00 0.00 H new ATOM 0 HA ALA A 45 32.726 23.546 23.626 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.784 23.477 25.856 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.017 23.447 24.573 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.706 24.950 25.473 1.00 0.00 H new ATOM 684 N CYS A 46 31.022 24.634 25.197 1.00 0.00 N ATOM 685 CA CYS A 46 29.781 25.276 25.678 1.00 0.00 C ATOM 686 C CYS A 46 29.871 25.894 27.096 1.00 0.00 C ATOM 687 O CYS A 46 30.086 25.190 28.083 1.00 0.00 O ATOM 688 CB CYS A 46 28.653 24.240 25.595 1.00 0.00 C ATOM 689 SG CYS A 46 27.029 24.760 26.215 1.00 0.00 S ATOM 0 H CYS A 46 31.025 23.623 25.330 1.00 0.00 H new ATOM 0 HA CYS A 46 29.585 26.133 25.033 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.541 23.941 24.553 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.962 23.354 26.149 1.00 0.00 H new ATOM 694 N TRP A 47 29.650 27.209 27.211 1.00 0.00 N ATOM 695 CA TRP A 47 29.614 27.985 28.465 1.00 0.00 C ATOM 696 C TRP A 47 28.185 28.458 28.766 1.00 0.00 C ATOM 697 O TRP A 47 27.478 28.891 27.856 1.00 0.00 O ATOM 698 CB TRP A 47 30.606 29.150 28.329 1.00 0.00 C ATOM 699 CG TRP A 47 30.651 30.204 29.397 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.724 31.169 29.590 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.717 30.485 30.359 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.126 32.009 30.609 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.355 31.642 31.113 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.965 29.895 30.659 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.181 32.181 32.112 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.790 30.409 31.679 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.404 31.551 32.405 1.00 0.00 C ATOM 0 H TRP A 47 29.482 27.794 26.393 1.00 0.00 H new ATOM 0 HA TRP A 47 29.912 27.368 29.313 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.605 28.722 28.249 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.397 29.650 27.383 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.806 31.268 29.030 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.581 32.802 30.947 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.293 29.034 30.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.881 33.069 32.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.727 29.922 31.906 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.043 31.942 33.183 1.00 0.00 H new ATOM 718 N CYS A 48 27.764 28.402 30.034 1.00 0.00 N ATOM 719 CA CYS A 48 26.384 28.660 30.461 1.00 0.00 C ATOM 720 C CYS A 48 26.246 29.916 31.344 1.00 0.00 C ATOM 721 O CYS A 48 27.176 30.318 32.050 1.00 0.00 O ATOM 722 CB CYS A 48 25.816 27.417 31.161 1.00 0.00 C ATOM 723 SG CYS A 48 25.750 25.891 30.179 1.00 0.00 S ATOM 0 H CYS A 48 28.386 28.171 30.809 1.00 0.00 H new ATOM 0 HA CYS A 48 25.800 28.867 29.565 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.415 27.224 32.051 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.806 27.648 31.500 1.00 0.00 H new ATOM 728 N THR A 49 25.059 30.529 31.312 1.00 0.00 N ATOM 729 CA THR A 49 24.735 31.831 31.926 1.00 0.00 C ATOM 730 C THR A 49 23.376 31.828 32.642 1.00 0.00 C ATOM 731 O THR A 49 22.637 30.844 32.582 1.00 0.00 O ATOM 732 CB THR A 49 24.761 32.952 30.869 1.00 0.00 C ATOM 733 OG1 THR A 49 23.791 32.701 29.881 1.00 0.00 O ATOM 734 CG2 THR A 49 26.111 33.074 30.161 1.00 0.00 C ATOM 0 H THR A 49 24.257 30.116 30.836 1.00 0.00 H new ATOM 0 HA THR A 49 25.502 32.017 32.678 1.00 0.00 H new ATOM 0 HB THR A 49 24.563 33.879 31.407 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.811 33.418 29.213 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.066 33.880 29.429 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.888 33.292 30.894 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.343 32.137 29.655 1.00 0.00 H new ATOM 742 N HIS A 50 23.048 32.920 33.348 1.00 0.00 N ATOM 743 CA HIS A 50 21.849 33.096 34.194 1.00 0.00 C ATOM 744 C HIS A 50 21.659 32.008 35.270 1.00 0.00 C ATOM 745 O HIS A 50 20.540 31.750 35.725 1.00 0.00 O ATOM 746 CB HIS A 50 20.585 33.342 33.342 1.00 0.00 C ATOM 747 CG HIS A 50 20.610 34.550 32.437 1.00 0.00 C ATOM 748 ND1 HIS A 50 21.278 35.756 32.673 1.00 0.00 N ATOM 749 CD2 HIS A 50 19.897 34.664 31.280 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.979 36.552 31.630 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.143 35.925 30.785 1.00 0.00 N ATOM 0 H HIS A 50 23.640 33.750 33.347 1.00 0.00 H new ATOM 0 HA HIS A 50 22.027 34.001 34.774 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.410 32.459 32.728 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.733 33.437 34.015 1.00 0.00 H new ATOM 0 HD2 HIS A 50 19.262 33.911 30.838 1.00 0.00 H new ATOM 0 HE1 HIS A 50 21.358 37.554 31.491 1.00 0.00 H new ATOM 0 HE2 HIS A 50 19.757 36.316 29.925 1.00 0.00 H new ATOM 759 N LEU A 51 22.750 31.352 35.678 1.00 0.00 N ATOM 760 CA LEU A 51 22.731 30.215 36.597 1.00 0.00 C ATOM 761 C LEU A 51 22.481 30.672 38.042 1.00 0.00 C ATOM 762 O LEU A 51 23.109 31.623 38.515 1.00 0.00 O ATOM 763 CB LEU A 51 24.051 29.430 36.488 1.00 0.00 C ATOM 764 CG LEU A 51 24.407 28.882 35.094 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.779 28.207 35.157 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.386 27.860 34.596 1.00 0.00 C ATOM 0 H LEU A 51 23.689 31.604 35.371 1.00 0.00 H new ATOM 0 HA LEU A 51 21.908 29.558 36.316 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.863 30.078 36.818 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.009 28.592 37.184 1.00 0.00 H new ATOM 0 HG LEU A 51 24.410 29.724 34.401 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.038 27.816 34.173 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.529 28.935 35.467 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.749 27.388 35.876 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.680 27.503 33.609 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.345 27.020 35.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.403 28.328 34.534 1.00 0.00 H new ATOM 778 N TYR A 52 21.596 29.963 38.744 1.00 0.00 N ATOM 779 CA TYR A 52 21.307 30.155 40.171 1.00 0.00 C ATOM 780 C TYR A 52 22.186 29.242 41.054 1.00 0.00 C ATOM 781 O TYR A 52 22.792 28.297 40.552 1.00 0.00 O ATOM 782 CB TYR A 52 19.800 29.924 40.377 1.00 0.00 C ATOM 783 CG TYR A 52 19.294 30.239 41.770 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.340 31.567 42.235 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.794 29.218 42.603 1.00 0.00 C ATOM 786 CE1 TYR A 52 18.918 31.871 43.541 1.00 0.00 C ATOM 787 CE2 TYR A 52 18.373 29.518 43.913 1.00 0.00 C ATOM 788 CZ TYR A 52 18.446 30.846 44.385 1.00 0.00 C ATOM 789 OH TYR A 52 18.089 31.146 45.660 1.00 0.00 O ATOM 0 H TYR A 52 21.042 29.216 38.325 1.00 0.00 H new ATOM 0 HA TYR A 52 21.556 31.170 40.481 1.00 0.00 H new ATOM 0 HB2 TYR A 52 19.252 30.535 39.660 1.00 0.00 H new ATOM 0 HB3 TYR A 52 19.572 28.883 40.149 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.700 32.353 41.588 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.734 28.204 42.236 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.956 32.890 43.897 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.996 28.735 44.554 1.00 0.00 H new ATOM 0 HH TYR A 52 17.784 30.333 46.114 1.00 0.00 H new ATOM 799 N GLU A 53 22.236 29.461 42.376 1.00 0.00 N ATOM 800 CA GLU A 53 23.107 28.718 43.318 1.00 0.00 C ATOM 801 C GLU A 53 22.876 27.191 43.427 1.00 0.00 C ATOM 802 O GLU A 53 23.572 26.507 44.182 1.00 0.00 O ATOM 803 CB GLU A 53 23.071 29.360 44.717 1.00 0.00 C ATOM 804 CG GLU A 53 21.771 29.137 45.514 1.00 0.00 C ATOM 805 CD GLU A 53 22.083 28.852 46.990 1.00 0.00 C ATOM 806 OE1 GLU A 53 22.451 29.801 47.725 1.00 0.00 O ATOM 807 OE2 GLU A 53 21.984 27.675 47.423 1.00 0.00 O ATOM 0 H GLU A 53 21.665 30.170 42.835 1.00 0.00 H new ATOM 0 HA GLU A 53 24.097 28.807 42.870 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.905 28.969 45.299 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.232 30.433 44.610 1.00 0.00 H new ATOM 0 HG2 GLU A 53 21.134 30.018 45.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.215 28.303 45.087 1.00 0.00 H new ATOM 814 N GLN A 54 21.904 26.644 42.695 1.00 0.00 N ATOM 815 CA GLN A 54 21.710 25.202 42.505 1.00 0.00 C ATOM 816 C GLN A 54 22.626 24.601 41.419 1.00 0.00 C ATOM 817 O GLN A 54 22.754 23.378 41.347 1.00 0.00 O ATOM 818 CB GLN A 54 20.217 24.910 42.262 1.00 0.00 C ATOM 819 CG GLN A 54 19.577 25.589 41.032 1.00 0.00 C ATOM 820 CD GLN A 54 19.834 24.892 39.702 1.00 0.00 C ATOM 821 OE1 GLN A 54 20.480 25.425 38.810 1.00 0.00 O ATOM 822 NE2 GLN A 54 19.304 23.709 39.505 1.00 0.00 N ATOM 0 H GLN A 54 21.209 27.206 42.203 1.00 0.00 H new ATOM 0 HA GLN A 54 22.014 24.697 43.422 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.092 23.832 42.161 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.661 25.214 43.149 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.500 25.651 41.190 1.00 0.00 H new ATOM 0 HG3 GLN A 54 19.949 26.612 40.966 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.765 23.262 40.246 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.431 23.236 38.610 1.00 0.00 H new ATOM 831 N ALA A 55 23.272 25.427 40.592 1.00 0.00 N ATOM 832 CA ALA A 55 24.131 24.987 39.497 1.00 0.00 C ATOM 833 C ALA A 55 25.564 24.629 39.938 1.00 0.00 C ATOM 834 O ALA A 55 26.029 25.024 41.016 1.00 0.00 O ATOM 835 CB ALA A 55 24.118 26.067 38.410 1.00 0.00 C ATOM 0 H ALA A 55 23.209 26.442 40.669 1.00 0.00 H new ATOM 0 HA ALA A 55 23.730 24.053 39.103 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.755 25.757 37.581 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.099 26.209 38.051 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.491 27.004 38.824 1.00 0.00 H new ATOM 841 N VAL A 56 26.268 23.902 39.063 1.00 0.00 N ATOM 842 CA VAL A 56 27.684 23.519 39.187 1.00 0.00 C ATOM 843 C VAL A 56 28.392 23.794 37.854 1.00 0.00 C ATOM 844 O VAL A 56 27.846 23.495 36.790 1.00 0.00 O ATOM 845 CB VAL A 56 27.841 22.030 39.576 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.296 21.699 39.927 1.00 0.00 C ATOM 847 CG2 VAL A 56 26.982 21.626 40.785 1.00 0.00 C ATOM 0 H VAL A 56 25.847 23.546 38.205 1.00 0.00 H new ATOM 0 HA VAL A 56 28.136 24.112 39.982 1.00 0.00 H new ATOM 0 HB VAL A 56 27.509 21.475 38.699 1.00 0.00 H new ATOM 0 HG11 VAL A 56 29.375 20.646 40.196 1.00 0.00 H new ATOM 0 HG12 VAL A 56 29.933 21.902 39.066 1.00 0.00 H new ATOM 0 HG13 VAL A 56 29.616 22.313 40.768 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.138 20.570 41.006 1.00 0.00 H new ATOM 0 HG22 VAL A 56 27.268 22.224 41.650 1.00 0.00 H new ATOM 0 HG23 VAL A 56 25.930 21.797 40.557 1.00 0.00 H new ATOM 857 N VAL A 57 29.603 24.352 37.905 1.00 0.00 N ATOM 858 CA VAL A 57 30.447 24.675 36.736 1.00 0.00 C ATOM 859 C VAL A 57 31.862 24.102 36.889 1.00 0.00 C ATOM 860 O VAL A 57 32.257 23.644 37.966 1.00 0.00 O ATOM 861 CB VAL A 57 30.463 26.192 36.442 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.080 26.679 35.990 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.922 27.041 37.631 1.00 0.00 C ATOM 0 H VAL A 57 30.045 24.603 38.789 1.00 0.00 H new ATOM 0 HA VAL A 57 29.999 24.192 35.868 1.00 0.00 H new ATOM 0 HB VAL A 57 31.192 26.323 35.642 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.119 27.750 35.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.787 26.150 35.083 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.351 26.483 36.776 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.908 28.095 37.352 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.250 26.880 38.474 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.935 26.754 37.914 1.00 0.00 H new ATOM 873 N TRP A 58 32.632 24.065 35.801 1.00 0.00 N ATOM 874 CA TRP A 58 33.977 23.478 35.775 1.00 0.00 C ATOM 875 C TRP A 58 35.037 24.407 36.414 1.00 0.00 C ATOM 876 O TRP A 58 34.910 25.632 36.301 1.00 0.00 O ATOM 877 CB TRP A 58 34.334 23.079 34.333 1.00 0.00 C ATOM 878 CG TRP A 58 35.119 21.808 34.188 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.771 20.618 34.728 1.00 0.00 C ATOM 880 CD2 TRP A 58 36.377 21.562 33.481 1.00 0.00 C ATOM 881 NE1 TRP A 58 35.705 19.657 34.407 1.00 0.00 N ATOM 882 CE2 TRP A 58 36.723 20.185 33.648 1.00 0.00 C ATOM 883 CE3 TRP A 58 37.273 22.357 32.734 1.00 0.00 C ATOM 884 CZ2 TRP A 58 37.898 19.632 33.122 1.00 0.00 C ATOM 885 CZ3 TRP A 58 38.442 21.803 32.175 1.00 0.00 C ATOM 886 CH2 TRP A 58 38.760 20.449 32.373 1.00 0.00 C ATOM 0 H TRP A 58 32.338 24.446 34.901 1.00 0.00 H new ATOM 0 HA TRP A 58 33.976 22.578 36.390 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.410 22.982 33.763 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.904 23.891 33.881 1.00 0.00 H new ATOM 0 HD1 TRP A 58 33.888 20.446 35.325 1.00 0.00 H new ATOM 0 HE1 TRP A 58 35.649 18.680 34.695 1.00 0.00 H new ATOM 0 HE3 TRP A 58 37.059 23.406 32.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 38.137 18.592 33.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 39.101 22.426 31.588 1.00 0.00 H new ATOM 0 HH2 TRP A 58 39.665 20.038 31.950 1.00 0.00 H new ATOM 897 N PRO A 59 36.085 23.870 37.081 1.00 0.00 N ATOM 898 CA PRO A 59 37.001 24.660 37.911 1.00 0.00 C ATOM 899 C PRO A 59 38.243 25.199 37.173 1.00 0.00 C ATOM 900 O PRO A 59 39.052 25.887 37.808 1.00 0.00 O ATOM 901 CB PRO A 59 37.388 23.714 39.052 1.00 0.00 C ATOM 902 CG PRO A 59 37.468 22.366 38.342 1.00 0.00 C ATOM 903 CD PRO A 59 36.332 22.448 37.321 1.00 0.00 C ATOM 0 HA PRO A 59 36.510 25.572 38.250 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.339 23.992 39.506 1.00 0.00 H new ATOM 0 HB3 PRO A 59 36.644 23.711 39.848 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.435 22.220 37.860 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.329 21.536 39.035 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.606 21.941 36.396 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.435 21.958 37.700 1.00 0.00 H new ATOM 911 N LEU A 60 38.413 24.896 35.878 1.00 0.00 N ATOM 912 CA LEU A 60 39.517 25.357 35.020 1.00 0.00 C ATOM 913 C LEU A 60 38.982 26.191 33.831 1.00 0.00 C ATOM 914 O LEU A 60 37.894 25.873 33.343 1.00 0.00 O ATOM 915 CB LEU A 60 40.327 24.158 34.484 1.00 0.00 C ATOM 916 CG LEU A 60 40.909 23.182 35.521 1.00 0.00 C ATOM 917 CD1 LEU A 60 41.667 22.067 34.797 1.00 0.00 C ATOM 918 CD2 LEU A 60 41.880 23.859 36.487 1.00 0.00 C ATOM 0 H LEU A 60 37.757 24.297 35.377 1.00 0.00 H new ATOM 0 HA LEU A 60 40.168 25.986 35.628 1.00 0.00 H new ATOM 0 HB2 LEU A 60 39.685 23.591 33.810 1.00 0.00 H new ATOM 0 HB3 LEU A 60 41.151 24.547 33.887 1.00 0.00 H new ATOM 0 HG LEU A 60 40.069 22.792 36.096 1.00 0.00 H new ATOM 0 HD11 LEU A 60 42.081 21.374 35.529 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.984 21.533 34.136 1.00 0.00 H new ATOM 0 HD13 LEU A 60 42.477 22.500 34.209 1.00 0.00 H new ATOM 0 HD21 LEU A 60 42.260 23.124 37.196 1.00 0.00 H new ATOM 0 HD22 LEU A 60 42.712 24.286 35.927 1.00 0.00 H new ATOM 0 HD23 LEU A 60 41.362 24.651 37.028 1.00 0.00 H new ATOM 930 N PRO A 61 39.727 27.193 33.314 1.00 0.00 N ATOM 931 CA PRO A 61 39.226 28.120 32.288 1.00 0.00 C ATOM 932 C PRO A 61 38.760 27.507 30.955 1.00 0.00 C ATOM 933 O PRO A 61 37.714 27.918 30.450 1.00 0.00 O ATOM 934 CB PRO A 61 40.354 29.130 32.061 1.00 0.00 C ATOM 935 CG PRO A 61 41.073 29.165 33.405 1.00 0.00 C ATOM 936 CD PRO A 61 40.970 27.717 33.876 1.00 0.00 C ATOM 0 HA PRO A 61 38.303 28.560 32.665 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.020 28.815 31.257 1.00 0.00 H new ATOM 0 HB3 PRO A 61 39.966 30.111 31.787 1.00 0.00 H new ATOM 0 HG2 PRO A 61 42.110 29.485 33.302 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.595 29.853 34.102 1.00 0.00 H new ATOM 0 HD2 PRO A 61 41.827 27.135 33.536 1.00 0.00 H new ATOM 0 HD3 PRO A 61 40.959 27.662 34.965 1.00 0.00 H new ATOM 944 N ASN A 62 39.502 26.565 30.351 1.00 0.00 N ATOM 945 CA ASN A 62 39.103 25.900 29.094 1.00 0.00 C ATOM 946 C ASN A 62 39.790 24.549 28.797 1.00 0.00 C ATOM 947 O ASN A 62 39.155 23.698 28.166 1.00 0.00 O ATOM 948 CB ASN A 62 39.347 26.872 27.915 1.00 0.00 C ATOM 949 CG ASN A 62 38.872 26.325 26.575 1.00 0.00 C ATOM 950 OD1 ASN A 62 39.653 26.069 25.669 1.00 0.00 O ATOM 951 ND2 ASN A 62 37.587 26.130 26.397 1.00 0.00 N ATOM 0 H ASN A 62 40.397 26.241 30.718 1.00 0.00 H new ATOM 0 HA ASN A 62 38.048 25.654 29.219 1.00 0.00 H new ATOM 0 HB2 ASN A 62 38.836 27.813 28.117 1.00 0.00 H new ATOM 0 HB3 ASN A 62 40.412 27.095 27.852 1.00 0.00 H new ATOM 0 HD21 ASN A 62 37.245 25.767 25.507 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.930 26.341 27.148 1.00 0.00 H new ATOM 958 N LYS A 63 41.053 24.337 29.205 1.00 0.00 N ATOM 959 CA LYS A 63 41.884 23.183 28.798 1.00 0.00 C ATOM 960 C LYS A 63 41.213 21.852 29.139 1.00 0.00 C ATOM 961 O LYS A 63 41.126 21.476 30.310 1.00 0.00 O ATOM 962 CB LYS A 63 43.284 23.255 29.439 1.00 0.00 C ATOM 963 CG LYS A 63 44.184 24.327 28.805 1.00 0.00 C ATOM 964 CD LYS A 63 45.604 24.254 29.389 1.00 0.00 C ATOM 965 CE LYS A 63 46.546 25.306 28.791 1.00 0.00 C ATOM 966 NZ LYS A 63 46.228 26.673 29.267 1.00 0.00 N ATOM 0 H LYS A 63 41.537 24.973 29.839 1.00 0.00 H new ATOM 0 HA LYS A 63 41.994 23.235 27.715 1.00 0.00 H new ATOM 0 HB2 LYS A 63 43.179 23.461 30.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 43.769 22.283 29.349 1.00 0.00 H new ATOM 0 HG2 LYS A 63 44.221 24.186 27.725 1.00 0.00 H new ATOM 0 HG3 LYS A 63 43.762 25.316 28.983 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.555 24.389 30.470 1.00 0.00 H new ATOM 0 HD3 LYS A 63 46.015 23.261 29.210 1.00 0.00 H new ATOM 0 HE2 LYS A 63 47.575 25.061 29.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.479 25.276 27.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 46.889 27.352 28.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 45.255 26.918 28.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 46.317 26.710 30.303 1.00 0.00 H new ATOM 980 N THR A 64 40.744 21.141 28.112 1.00 0.00 N ATOM 981 CA THR A 64 39.793 20.022 28.241 1.00 0.00 C ATOM 982 C THR A 64 40.308 18.859 29.101 1.00 0.00 C ATOM 983 O THR A 64 41.514 18.689 29.301 1.00 0.00 O ATOM 984 CB THR A 64 39.359 19.545 26.844 1.00 0.00 C ATOM 985 OG1 THR A 64 38.150 18.823 26.915 1.00 0.00 O ATOM 986 CG2 THR A 64 40.394 18.665 26.146 1.00 0.00 C ATOM 0 H THR A 64 41.016 21.326 27.147 1.00 0.00 H new ATOM 0 HA THR A 64 38.927 20.404 28.781 1.00 0.00 H new ATOM 0 HB THR A 64 39.239 20.456 26.257 1.00 0.00 H new ATOM 0 HG1 THR A 64 37.891 18.530 26.016 1.00 0.00 H new ATOM 0 HG21 THR A 64 40.018 18.368 25.167 1.00 0.00 H new ATOM 0 HG22 THR A 64 41.323 19.223 26.024 1.00 0.00 H new ATOM 0 HG23 THR A 64 40.581 17.776 26.748 1.00 0.00 H new ATOM 994 N CYS A 65 39.397 18.014 29.583 1.00 0.00 N ATOM 995 CA CYS A 65 39.645 16.843 30.440 1.00 0.00 C ATOM 996 C CYS A 65 40.379 15.663 29.750 1.00 0.00 C ATOM 997 O CYS A 65 40.267 14.517 30.195 1.00 0.00 O ATOM 998 CB CYS A 65 38.284 16.410 31.002 1.00 0.00 C ATOM 999 SG CYS A 65 37.054 16.048 29.721 1.00 0.00 S ATOM 0 H CYS A 65 38.405 18.131 29.376 1.00 0.00 H new ATOM 0 HA CYS A 65 40.339 17.138 31.227 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.421 15.525 31.623 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.900 17.198 31.650 1.00 0.00 H new ATOM 1004 N ASN A 66 41.085 15.918 28.644 1.00 0.00 N ATOM 1005 CA ASN A 66 41.662 14.914 27.751 1.00 0.00 C ATOM 1006 C ASN A 66 42.907 15.453 27.005 1.00 0.00 C ATOM 1007 O ASN A 66 43.082 16.663 26.825 1.00 0.00 O ATOM 1008 CB ASN A 66 40.555 14.488 26.765 1.00 0.00 C ATOM 1009 CG ASN A 66 40.800 13.121 26.160 1.00 0.00 C ATOM 1010 OD1 ASN A 66 41.105 12.161 26.856 1.00 0.00 O ATOM 1011 ND2 ASN A 66 40.620 12.964 24.875 1.00 0.00 N ATOM 0 H ASN A 66 41.277 16.871 28.335 1.00 0.00 H new ATOM 0 HA ASN A 66 42.010 14.057 28.328 1.00 0.00 H new ATOM 0 HB2 ASN A 66 39.596 14.484 27.283 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.483 15.226 25.966 1.00 0.00 H new ATOM 0 HD21 ASN A 66 40.734 12.042 24.453 1.00 0.00 H new ATOM 0 HD22 ASN A 66 40.366 13.763 24.294 1.00 0.00 H new HETATM 1018 N NH2 A 67 43.767 14.564 26.524 1.00 0.00 N TER 1021 NH2 A 67