USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 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 13 LYS NZ :NH3+ -159:sc= 0.0674 (180deg=0) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.514 K(o=-0.45,f=-6.9!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -170:sc= 0.98 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.773 K(o=1.8,f=-2) USER MOD Set 3.1: A 7 SER OG : rot -18:sc= 0.879 USER MOD Set 3.2: A 10 THR OG1 : rot -3:sc= 0.927 USER MOD Single : A 1 LYS N :NH3+ -160:sc= 1.05 (180deg=0.738) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.21) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.66 K(o=0.66,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 2.48 (180deg=1.29) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 TYR OH : rot -28:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -42:sc= 1.27 USER MOD Single : A 40 TYR OH : rot 142:sc= 0.653 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.0966 K(o=0.097,f=-0.86) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 62 ASN : amide:sc= -0.0509 K(o=-0.051,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0627) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.544 33.790 37.884 1.00 0.00 N ATOM 2 CA LYS A 1 26.701 32.911 37.639 1.00 0.00 C ATOM 3 C LYS A 1 26.748 32.503 36.165 1.00 0.00 C ATOM 4 O LYS A 1 25.713 32.260 35.550 1.00 0.00 O ATOM 5 CB LYS A 1 26.687 31.713 38.607 1.00 0.00 C ATOM 6 CG LYS A 1 28.038 30.985 38.677 1.00 0.00 C ATOM 7 CD LYS A 1 28.009 29.850 39.707 1.00 0.00 C ATOM 8 CE LYS A 1 29.384 29.176 39.773 1.00 0.00 C ATOM 9 NZ LYS A 1 29.380 28.025 40.700 1.00 0.00 N ATOM 0 H1 LYS A 1 25.695 34.326 38.762 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.436 34.452 37.089 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.683 33.214 37.974 1.00 0.00 H new ATOM 0 HA LYS A 1 27.625 33.453 37.843 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.415 32.061 39.604 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.916 31.009 38.294 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.287 30.581 37.696 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.823 31.695 38.938 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.738 30.243 40.687 1.00 0.00 H new ATOM 0 HD3 LYS A 1 27.248 29.119 39.435 1.00 0.00 H new ATOM 0 HE2 LYS A 1 29.674 28.841 38.777 1.00 0.00 H new ATOM 0 HE3 LYS A 1 30.131 29.902 40.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.341 27.634 40.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 29.061 28.337 41.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 28.735 27.293 40.341 1.00 0.00 H new ATOM 25 N GLU A 2 27.947 32.389 35.599 1.00 0.00 N ATOM 26 CA GLU A 2 28.238 31.871 34.251 1.00 0.00 C ATOM 27 C GLU A 2 29.397 30.857 34.322 1.00 0.00 C ATOM 28 O GLU A 2 30.209 30.928 35.249 1.00 0.00 O ATOM 29 CB GLU A 2 28.646 33.018 33.307 1.00 0.00 C ATOM 30 CG GLU A 2 27.608 34.128 33.100 1.00 0.00 C ATOM 31 CD GLU A 2 28.135 35.217 32.153 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.465 34.918 30.978 1.00 0.00 O ATOM 33 OE2 GLU A 2 28.192 36.407 32.560 1.00 0.00 O ATOM 0 H GLU A 2 28.795 32.670 36.092 1.00 0.00 H new ATOM 0 HA GLU A 2 27.338 31.389 33.868 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.559 33.471 33.693 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.889 32.591 32.334 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.692 33.701 32.692 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.351 34.573 34.062 1.00 0.00 H new ATOM 40 N GLY A 3 29.542 29.946 33.355 1.00 0.00 N ATOM 41 CA GLY A 3 30.718 29.061 33.304 1.00 0.00 C ATOM 42 C GLY A 3 30.700 27.994 32.209 1.00 0.00 C ATOM 43 O GLY A 3 29.668 27.735 31.588 1.00 0.00 O ATOM 0 H GLY A 3 28.869 29.800 32.602 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.607 29.677 33.170 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.817 28.563 34.269 1.00 0.00 H new ATOM 47 N TYR A 4 31.845 27.341 31.991 1.00 0.00 N ATOM 48 CA TYR A 4 31.984 26.196 31.099 1.00 0.00 C ATOM 49 C TYR A 4 31.118 25.010 31.564 1.00 0.00 C ATOM 50 O TYR A 4 31.141 24.616 32.737 1.00 0.00 O ATOM 51 CB TYR A 4 33.457 25.770 31.046 1.00 0.00 C ATOM 52 CG TYR A 4 34.388 26.570 30.147 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.309 26.445 28.744 1.00 0.00 C ATOM 54 CD2 TYR A 4 35.407 27.357 30.718 1.00 0.00 C ATOM 55 CE1 TYR A 4 35.267 27.071 27.919 1.00 0.00 C ATOM 56 CE2 TYR A 4 36.364 27.984 29.896 1.00 0.00 C ATOM 57 CZ TYR A 4 36.311 27.828 28.495 1.00 0.00 C ATOM 58 OH TYR A 4 37.296 28.368 27.724 1.00 0.00 O ATOM 0 H TYR A 4 32.721 27.604 32.443 1.00 0.00 H new ATOM 0 HA TYR A 4 31.643 26.492 30.107 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.855 25.807 32.060 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.495 24.728 30.727 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.512 25.868 28.300 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.455 27.480 31.790 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.202 26.971 26.846 1.00 0.00 H new ATOM 0 HE2 TYR A 4 37.142 28.587 30.341 1.00 0.00 H new ATOM 0 HH TYR A 4 37.927 28.856 28.294 1.00 0.00 H new ATOM 68 N LEU A 5 30.397 24.398 30.621 1.00 0.00 N ATOM 69 CA LEU A 5 29.581 23.207 30.858 1.00 0.00 C ATOM 70 C LEU A 5 30.480 21.985 31.106 1.00 0.00 C ATOM 71 O LEU A 5 31.327 21.647 30.276 1.00 0.00 O ATOM 72 CB LEU A 5 28.635 23.011 29.658 1.00 0.00 C ATOM 73 CG LEU A 5 27.681 21.802 29.757 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.750 21.880 30.967 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.805 21.740 28.504 1.00 0.00 C ATOM 0 H LEU A 5 30.364 24.723 29.655 1.00 0.00 H new ATOM 0 HA LEU A 5 28.973 23.331 31.754 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.038 23.915 29.537 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.237 22.904 28.756 1.00 0.00 H new ATOM 0 HG LEU A 5 28.309 20.917 29.859 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.102 21.003 30.985 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.343 21.912 31.881 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.140 22.781 30.899 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.131 20.886 28.573 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.222 22.657 28.422 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.437 21.632 27.623 1.00 0.00 H new ATOM 87 N VAL A 6 30.275 21.317 32.243 1.00 0.00 N ATOM 88 CA VAL A 6 31.016 20.107 32.633 1.00 0.00 C ATOM 89 C VAL A 6 30.435 18.855 31.964 1.00 0.00 C ATOM 90 O VAL A 6 29.217 18.705 31.860 1.00 0.00 O ATOM 91 CB VAL A 6 31.117 19.998 34.170 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.765 19.808 34.871 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.067 18.876 34.595 1.00 0.00 C ATOM 0 H VAL A 6 29.579 21.603 32.932 1.00 0.00 H new ATOM 0 HA VAL A 6 32.039 20.188 32.265 1.00 0.00 H new ATOM 0 HB VAL A 6 31.516 20.961 34.489 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.920 19.740 35.948 1.00 0.00 H new ATOM 0 HG12 VAL A 6 29.118 20.657 34.650 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.295 18.892 34.513 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.112 18.830 35.683 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.703 17.925 34.206 1.00 0.00 H new ATOM 0 HG23 VAL A 6 33.063 19.073 34.199 1.00 0.00 H new ATOM 103 N SER A 7 31.296 17.951 31.495 1.00 0.00 N ATOM 104 CA SER A 7 30.902 16.708 30.826 1.00 0.00 C ATOM 105 C SER A 7 30.473 15.620 31.811 1.00 0.00 C ATOM 106 O SER A 7 31.103 15.417 32.853 1.00 0.00 O ATOM 107 CB SER A 7 32.031 16.202 29.919 1.00 0.00 C ATOM 108 OG SER A 7 33.169 15.783 30.650 1.00 0.00 O ATOM 0 H SER A 7 32.307 18.063 31.570 1.00 0.00 H new ATOM 0 HA SER A 7 30.031 16.940 30.213 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.664 15.371 29.317 1.00 0.00 H new ATOM 0 HB3 SER A 7 32.319 16.994 29.227 1.00 0.00 H new ATOM 0 HG SER A 7 33.133 16.158 31.555 1.00 0.00 H new ATOM 114 N LYS A 8 29.439 14.848 31.457 1.00 0.00 N ATOM 115 CA LYS A 8 29.028 13.646 32.206 1.00 0.00 C ATOM 116 C LYS A 8 29.939 12.443 31.921 1.00 0.00 C ATOM 117 O LYS A 8 29.960 11.506 32.719 1.00 0.00 O ATOM 118 CB LYS A 8 27.543 13.334 31.931 1.00 0.00 C ATOM 119 CG LYS A 8 26.610 14.412 32.517 1.00 0.00 C ATOM 120 CD LYS A 8 25.141 14.151 32.154 1.00 0.00 C ATOM 121 CE LYS A 8 24.261 15.312 32.637 1.00 0.00 C ATOM 122 NZ LYS A 8 22.890 15.231 32.082 1.00 0.00 N ATOM 0 H LYS A 8 28.859 15.037 30.640 1.00 0.00 H new ATOM 0 HA LYS A 8 29.139 13.854 33.270 1.00 0.00 H new ATOM 0 HB2 LYS A 8 27.381 13.260 30.856 1.00 0.00 H new ATOM 0 HB3 LYS A 8 27.291 12.364 32.359 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.718 14.436 33.601 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.908 15.392 32.145 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.041 14.034 31.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.807 13.218 32.608 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.213 15.303 33.726 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.716 16.259 32.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.379 16.113 32.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.940 15.094 31.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.387 14.429 32.514 1.00 0.00 H new ATOM 136 N SER A 9 30.721 12.480 30.835 1.00 0.00 N ATOM 137 CA SER A 9 31.644 11.408 30.430 1.00 0.00 C ATOM 138 C SER A 9 33.049 11.489 31.042 1.00 0.00 C ATOM 139 O SER A 9 33.679 10.446 31.214 1.00 0.00 O ATOM 140 CB SER A 9 31.774 11.379 28.905 1.00 0.00 C ATOM 141 OG SER A 9 32.280 12.605 28.412 1.00 0.00 O ATOM 0 H SER A 9 30.731 13.275 30.196 1.00 0.00 H new ATOM 0 HA SER A 9 31.196 10.493 30.817 1.00 0.00 H new ATOM 0 HB2 SER A 9 32.435 10.564 28.609 1.00 0.00 H new ATOM 0 HB3 SER A 9 30.800 11.178 28.458 1.00 0.00 H new ATOM 0 HG SER A 9 32.355 12.559 27.436 1.00 0.00 H new ATOM 147 N THR A 10 33.571 12.680 31.367 1.00 0.00 N ATOM 148 CA THR A 10 34.970 12.846 31.834 1.00 0.00 C ATOM 149 C THR A 10 35.173 13.881 32.949 1.00 0.00 C ATOM 150 O THR A 10 36.292 14.010 33.460 1.00 0.00 O ATOM 151 CB THR A 10 35.917 13.192 30.665 1.00 0.00 C ATOM 152 OG1 THR A 10 35.505 14.375 30.016 1.00 0.00 O ATOM 153 CG2 THR A 10 35.994 12.092 29.606 1.00 0.00 C ATOM 0 H THR A 10 33.047 13.554 31.317 1.00 0.00 H new ATOM 0 HA THR A 10 35.213 11.873 32.261 1.00 0.00 H new ATOM 0 HB THR A 10 36.900 13.313 31.120 1.00 0.00 H new ATOM 0 HG1 THR A 10 34.669 14.693 30.416 1.00 0.00 H new ATOM 0 HG21 THR A 10 36.676 12.398 28.813 1.00 0.00 H new ATOM 0 HG22 THR A 10 36.358 11.172 30.063 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.003 11.921 29.186 1.00 0.00 H new ATOM 161 N GLY A 11 34.137 14.647 33.321 1.00 0.00 N ATOM 162 CA GLY A 11 34.239 15.795 34.236 1.00 0.00 C ATOM 163 C GLY A 11 35.165 16.915 33.734 1.00 0.00 C ATOM 164 O GLY A 11 35.676 17.707 34.526 1.00 0.00 O ATOM 0 H GLY A 11 33.187 14.483 32.988 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.243 16.207 34.398 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.601 15.445 35.203 1.00 0.00 H new ATOM 168 N CYS A 12 35.400 16.948 32.420 1.00 0.00 N ATOM 169 CA CYS A 12 36.127 17.986 31.692 1.00 0.00 C ATOM 170 C CYS A 12 35.119 18.964 31.057 1.00 0.00 C ATOM 171 O CYS A 12 33.929 18.938 31.374 1.00 0.00 O ATOM 172 CB CYS A 12 37.021 17.275 30.658 1.00 0.00 C ATOM 173 SG CYS A 12 38.299 18.277 29.845 1.00 0.00 S ATOM 0 H CYS A 12 35.068 16.208 31.802 1.00 0.00 H new ATOM 0 HA CYS A 12 36.763 18.585 32.344 1.00 0.00 H new ATOM 0 HB2 CYS A 12 37.512 16.437 31.154 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.377 16.855 29.885 1.00 0.00 H new ATOM 178 N LYS A 13 35.557 19.812 30.124 1.00 0.00 N ATOM 179 CA LYS A 13 34.661 20.635 29.300 1.00 0.00 C ATOM 180 C LYS A 13 33.854 19.780 28.307 1.00 0.00 C ATOM 181 O LYS A 13 34.386 18.864 27.671 1.00 0.00 O ATOM 182 CB LYS A 13 35.481 21.718 28.585 1.00 0.00 C ATOM 183 CG LYS A 13 35.947 22.812 29.563 1.00 0.00 C ATOM 184 CD LYS A 13 36.927 23.806 28.926 1.00 0.00 C ATOM 185 CE LYS A 13 38.307 23.156 28.794 1.00 0.00 C ATOM 186 NZ LYS A 13 39.278 24.039 28.115 1.00 0.00 N ATOM 0 H LYS A 13 36.546 19.950 29.916 1.00 0.00 H new ATOM 0 HA LYS A 13 33.931 21.119 29.949 1.00 0.00 H new ATOM 0 HB2 LYS A 13 36.348 21.263 28.107 1.00 0.00 H new ATOM 0 HB3 LYS A 13 34.881 22.168 27.794 1.00 0.00 H new ATOM 0 HG2 LYS A 13 35.077 23.354 29.934 1.00 0.00 H new ATOM 0 HG3 LYS A 13 36.422 22.343 30.425 1.00 0.00 H new ATOM 0 HD2 LYS A 13 36.563 24.113 27.945 1.00 0.00 H new ATOM 0 HD3 LYS A 13 36.995 24.706 29.536 1.00 0.00 H new ATOM 0 HE2 LYS A 13 38.682 22.900 29.785 1.00 0.00 H new ATOM 0 HE3 LYS A 13 38.216 22.223 28.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 40.058 23.468 27.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 38.804 24.544 27.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 39.656 24.728 28.796 1.00 0.00 H new ATOM 200 N TYR A 14 32.571 20.104 28.159 1.00 0.00 N ATOM 201 CA TYR A 14 31.667 19.578 27.128 1.00 0.00 C ATOM 202 C TYR A 14 31.883 20.345 25.811 1.00 0.00 C ATOM 203 O TYR A 14 31.820 21.576 25.792 1.00 0.00 O ATOM 204 CB TYR A 14 30.233 19.706 27.657 1.00 0.00 C ATOM 205 CG TYR A 14 29.141 19.182 26.742 1.00 0.00 C ATOM 206 CD1 TYR A 14 28.634 20.001 25.716 1.00 0.00 C ATOM 207 CD2 TYR A 14 28.585 17.907 26.961 1.00 0.00 C ATOM 208 CE1 TYR A 14 27.545 19.569 24.936 1.00 0.00 C ATOM 209 CE2 TYR A 14 27.515 17.458 26.163 1.00 0.00 C ATOM 210 CZ TYR A 14 26.984 18.296 25.161 1.00 0.00 C ATOM 211 OH TYR A 14 25.911 17.883 24.442 1.00 0.00 O ATOM 0 H TYR A 14 32.109 20.769 28.779 1.00 0.00 H new ATOM 0 HA TYR A 14 31.867 18.528 26.914 1.00 0.00 H new ATOM 0 HB2 TYR A 14 30.168 19.177 28.608 1.00 0.00 H new ATOM 0 HB3 TYR A 14 30.034 20.758 27.863 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.082 20.965 25.526 1.00 0.00 H new ATOM 0 HD2 TYR A 14 28.979 17.273 27.741 1.00 0.00 H new ATOM 0 HE1 TYR A 14 27.141 20.211 24.167 1.00 0.00 H new ATOM 0 HE2 TYR A 14 27.101 16.472 26.318 1.00 0.00 H new ATOM 0 HH TYR A 14 25.655 16.981 24.726 1.00 0.00 H new ATOM 221 N GLU A 15 32.182 19.649 24.713 1.00 0.00 N ATOM 222 CA GLU A 15 32.804 20.266 23.528 1.00 0.00 C ATOM 223 C GLU A 15 31.797 20.796 22.483 1.00 0.00 C ATOM 224 O GLU A 15 30.776 20.165 22.210 1.00 0.00 O ATOM 225 CB GLU A 15 33.821 19.302 22.899 1.00 0.00 C ATOM 226 CG GLU A 15 35.032 19.044 23.817 1.00 0.00 C ATOM 227 CD GLU A 15 36.071 18.109 23.181 1.00 0.00 C ATOM 228 OE1 GLU A 15 36.303 18.189 21.949 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.674 17.276 23.905 1.00 0.00 O ATOM 0 H GLU A 15 32.004 18.650 24.615 1.00 0.00 H new ATOM 0 HA GLU A 15 33.324 21.155 23.884 1.00 0.00 H new ATOM 0 HB2 GLU A 15 33.330 18.355 22.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 34.168 19.712 21.951 1.00 0.00 H new ATOM 0 HG2 GLU A 15 35.506 19.995 24.061 1.00 0.00 H new ATOM 0 HG3 GLU A 15 34.685 18.610 24.755 1.00 0.00 H new ATOM 236 N CYS A 16 32.113 21.936 21.857 1.00 0.00 N ATOM 237 CA CYS A 16 31.415 22.503 20.694 1.00 0.00 C ATOM 238 C CYS A 16 32.367 23.406 19.889 1.00 0.00 C ATOM 239 O CYS A 16 32.791 24.455 20.377 1.00 0.00 O ATOM 240 CB CYS A 16 30.204 23.336 21.141 1.00 0.00 C ATOM 241 SG CYS A 16 29.359 24.150 19.750 1.00 0.00 S ATOM 0 H CYS A 16 32.896 22.515 22.160 1.00 0.00 H new ATOM 0 HA CYS A 16 31.075 21.675 20.071 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.497 22.691 21.663 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.532 24.092 21.854 1.00 0.00 H new ATOM 246 N LEU A 17 32.683 23.030 18.649 1.00 0.00 N ATOM 247 CA LEU A 17 33.671 23.711 17.799 1.00 0.00 C ATOM 248 C LEU A 17 33.099 24.935 17.046 1.00 0.00 C ATOM 249 O LEU A 17 33.193 25.018 15.817 1.00 0.00 O ATOM 250 CB LEU A 17 34.321 22.645 16.889 1.00 0.00 C ATOM 251 CG LEU A 17 35.670 23.047 16.268 1.00 0.00 C ATOM 252 CD1 LEU A 17 36.755 23.160 17.339 1.00 0.00 C ATOM 253 CD2 LEU A 17 36.109 21.976 15.270 1.00 0.00 C ATOM 0 H LEU A 17 32.251 22.226 18.194 1.00 0.00 H new ATOM 0 HA LEU A 17 34.445 24.162 18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 17 34.464 21.733 17.469 1.00 0.00 H new ATOM 0 HB3 LEU A 17 33.626 22.405 16.084 1.00 0.00 H new ATOM 0 HG LEU A 17 35.539 24.012 15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 17 37.698 23.445 16.873 1.00 0.00 H new ATOM 0 HD12 LEU A 17 36.468 23.916 18.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 36.874 22.199 17.839 1.00 0.00 H new ATOM 0 HD21 LEU A 17 37.065 22.259 14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 17 36.216 21.021 15.785 1.00 0.00 H new ATOM 0 HD23 LEU A 17 35.360 21.883 14.484 1.00 0.00 H new ATOM 265 N LYS A 18 32.459 25.868 17.763 1.00 0.00 N ATOM 266 CA LYS A 18 31.858 27.113 17.233 1.00 0.00 C ATOM 267 C LYS A 18 31.986 28.272 18.230 1.00 0.00 C ATOM 268 O LYS A 18 32.172 28.029 19.422 1.00 0.00 O ATOM 269 CB LYS A 18 30.371 26.898 16.881 1.00 0.00 C ATOM 270 CG LYS A 18 30.136 25.868 15.765 1.00 0.00 C ATOM 271 CD LYS A 18 28.710 25.981 15.212 1.00 0.00 C ATOM 272 CE LYS A 18 28.411 24.899 14.169 1.00 0.00 C ATOM 273 NZ LYS A 18 28.033 23.612 14.795 1.00 0.00 N ATOM 0 H LYS A 18 32.337 25.778 18.772 1.00 0.00 H new ATOM 0 HA LYS A 18 32.408 27.374 16.329 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.839 26.576 17.776 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.938 27.852 16.578 1.00 0.00 H new ATOM 0 HG2 LYS A 18 30.856 26.025 14.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.303 24.862 16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.996 25.901 16.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.572 26.965 14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.604 25.236 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 18 29.288 24.751 13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.839 22.909 14.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.813 23.276 15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.181 23.746 15.376 1.00 0.00 H new ATOM 287 N LEU A 19 31.827 29.519 17.779 1.00 0.00 N ATOM 288 CA LEU A 19 31.825 30.720 18.633 1.00 0.00 C ATOM 289 C LEU A 19 30.508 31.510 18.516 1.00 0.00 C ATOM 290 O LEU A 19 30.122 31.945 17.430 1.00 0.00 O ATOM 291 CB LEU A 19 33.067 31.572 18.318 1.00 0.00 C ATOM 292 CG LEU A 19 33.274 32.790 19.240 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.457 32.392 20.707 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.525 33.552 18.801 1.00 0.00 C ATOM 0 H LEU A 19 31.693 29.731 16.790 1.00 0.00 H new ATOM 0 HA LEU A 19 31.882 30.414 19.678 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.950 30.936 18.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.997 31.923 17.288 1.00 0.00 H new ATOM 0 HG LEU A 19 32.378 33.405 19.159 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.599 33.288 21.312 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.572 31.857 21.052 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.331 31.747 20.803 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.673 34.414 19.452 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.392 32.895 18.865 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.402 33.891 17.772 1.00 0.00 H new ATOM 306 N GLY A 20 29.811 31.705 19.638 1.00 0.00 N ATOM 307 CA GLY A 20 28.549 32.460 19.719 1.00 0.00 C ATOM 308 C GLY A 20 27.298 31.712 19.227 1.00 0.00 C ATOM 309 O GLY A 20 26.234 32.320 19.105 1.00 0.00 O ATOM 0 H GLY A 20 30.112 31.335 20.540 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.389 32.757 20.756 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.656 33.376 19.138 1.00 0.00 H new ATOM 313 N ASP A 21 27.403 30.409 18.941 1.00 0.00 N ATOM 314 CA ASP A 21 26.294 29.537 18.517 1.00 0.00 C ATOM 315 C ASP A 21 25.352 29.178 19.682 1.00 0.00 C ATOM 316 O ASP A 21 25.842 28.818 20.753 1.00 0.00 O ATOM 317 CB ASP A 21 26.889 28.256 17.909 1.00 0.00 C ATOM 318 CG ASP A 21 25.807 27.282 17.439 1.00 0.00 C ATOM 319 OD1 ASP A 21 25.328 27.437 16.294 1.00 0.00 O ATOM 320 OD2 ASP A 21 25.399 26.396 18.223 1.00 0.00 O ATOM 0 H ASP A 21 28.292 29.913 19.000 1.00 0.00 H new ATOM 0 HA ASP A 21 25.695 30.074 17.782 1.00 0.00 H new ATOM 0 HB2 ASP A 21 27.529 28.519 17.067 1.00 0.00 H new ATOM 0 HB3 ASP A 21 27.521 27.765 18.649 1.00 0.00 H new ATOM 325 N ASN A 22 24.027 29.168 19.462 1.00 0.00 N ATOM 326 CA ASN A 22 23.003 28.770 20.452 1.00 0.00 C ATOM 327 C ASN A 22 22.148 27.551 20.039 1.00 0.00 C ATOM 328 O ASN A 22 21.093 27.291 20.624 1.00 0.00 O ATOM 329 CB ASN A 22 22.096 29.968 20.797 1.00 0.00 C ATOM 330 CG ASN A 22 22.818 31.204 21.284 1.00 0.00 C ATOM 331 OD1 ASN A 22 22.895 32.203 20.584 1.00 0.00 O ATOM 332 ND2 ASN A 22 23.319 31.209 22.492 1.00 0.00 N ATOM 0 H ASN A 22 23.624 29.444 18.567 1.00 0.00 H new ATOM 0 HA ASN A 22 23.559 28.452 21.334 1.00 0.00 H new ATOM 0 HB2 ASN A 22 21.516 30.231 19.912 1.00 0.00 H new ATOM 0 HB3 ASN A 22 21.386 29.656 21.563 1.00 0.00 H new ATOM 0 HD21 ASN A 22 23.775 32.048 22.852 1.00 0.00 H new ATOM 0 HD22 ASN A 22 23.254 30.374 23.075 1.00 0.00 H new ATOM 339 N ASP A 23 22.563 26.800 19.027 1.00 0.00 N ATOM 340 CA ASP A 23 21.784 25.685 18.463 1.00 0.00 C ATOM 341 C ASP A 23 22.049 24.336 19.162 1.00 0.00 C ATOM 342 O ASP A 23 21.284 23.386 18.983 1.00 0.00 O ATOM 343 CB ASP A 23 22.047 25.620 16.951 1.00 0.00 C ATOM 344 CG ASP A 23 21.009 24.771 16.219 1.00 0.00 C ATOM 345 OD1 ASP A 23 19.851 25.235 16.060 1.00 0.00 O ATOM 346 OD2 ASP A 23 21.358 23.660 15.753 1.00 0.00 O ATOM 0 H ASP A 23 23.460 26.943 18.563 1.00 0.00 H new ATOM 0 HA ASP A 23 20.726 25.879 18.643 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.043 26.629 16.540 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.040 25.208 16.774 1.00 0.00 H new ATOM 351 N TYR A 24 23.104 24.258 19.980 1.00 0.00 N ATOM 352 CA TYR A 24 23.650 23.028 20.563 1.00 0.00 C ATOM 353 C TYR A 24 23.801 23.088 22.097 1.00 0.00 C ATOM 354 O TYR A 24 23.517 22.096 22.767 1.00 0.00 O ATOM 355 CB TYR A 24 24.997 22.769 19.868 1.00 0.00 C ATOM 356 CG TYR A 24 25.660 21.440 20.169 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.212 20.273 19.523 1.00 0.00 C ATOM 358 CD2 TYR A 24 26.759 21.376 21.046 1.00 0.00 C ATOM 359 CE1 TYR A 24 25.857 19.042 19.753 1.00 0.00 C ATOM 360 CE2 TYR A 24 27.412 20.148 21.271 1.00 0.00 C ATOM 361 CZ TYR A 24 26.964 18.977 20.625 1.00 0.00 C ATOM 362 OH TYR A 24 27.604 17.798 20.836 1.00 0.00 O ATOM 0 H TYR A 24 23.624 25.088 20.266 1.00 0.00 H new ATOM 0 HA TYR A 24 22.953 22.207 20.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.846 22.841 18.791 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.686 23.567 20.147 1.00 0.00 H new ATOM 0 HD1 TYR A 24 24.370 20.321 18.848 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.102 22.269 21.547 1.00 0.00 H new ATOM 0 HE1 TYR A 24 25.504 18.148 19.262 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.258 20.103 21.940 1.00 0.00 H new ATOM 0 HH TYR A 24 28.344 17.935 21.464 1.00 0.00 H new ATOM 372 N CYS A 25 24.225 24.222 22.670 1.00 0.00 N ATOM 373 CA CYS A 25 24.460 24.375 24.114 1.00 0.00 C ATOM 374 C CYS A 25 23.218 24.823 24.903 1.00 0.00 C ATOM 375 O CYS A 25 23.006 24.348 26.016 1.00 0.00 O ATOM 376 CB CYS A 25 25.589 25.387 24.356 1.00 0.00 C ATOM 377 SG CYS A 25 27.178 25.025 23.570 1.00 0.00 S ATOM 0 H CYS A 25 24.417 25.071 22.138 1.00 0.00 H new ATOM 0 HA CYS A 25 24.731 23.384 24.478 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.252 26.364 24.010 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.750 25.468 25.431 1.00 0.00 H new ATOM 382 N LEU A 26 22.402 25.734 24.356 1.00 0.00 N ATOM 383 CA LEU A 26 21.281 26.375 25.067 1.00 0.00 C ATOM 384 C LEU A 26 20.281 25.341 25.617 1.00 0.00 C ATOM 385 O LEU A 26 19.932 25.416 26.798 1.00 0.00 O ATOM 386 CB LEU A 26 20.651 27.431 24.130 1.00 0.00 C ATOM 387 CG LEU A 26 19.213 27.900 24.432 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.085 28.607 25.778 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.770 28.881 23.349 1.00 0.00 C ATOM 0 H LEU A 26 22.501 26.053 23.392 1.00 0.00 H new ATOM 0 HA LEU A 26 21.642 26.890 25.957 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.297 28.309 24.134 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.666 27.030 23.117 1.00 0.00 H new ATOM 0 HG LEU A 26 18.590 27.006 24.458 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.050 28.912 25.932 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.385 27.928 26.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.728 29.487 25.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.754 29.217 23.556 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.441 29.740 23.339 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.798 28.388 22.378 1.00 0.00 H new ATOM 401 N ARG A 27 19.900 24.331 24.823 1.00 0.00 N ATOM 402 CA ARG A 27 19.033 23.226 25.279 1.00 0.00 C ATOM 403 C ARG A 27 19.608 22.450 26.470 1.00 0.00 C ATOM 404 O ARG A 27 18.871 22.131 27.401 1.00 0.00 O ATOM 405 CB ARG A 27 18.670 22.290 24.109 1.00 0.00 C ATOM 406 CG ARG A 27 19.858 21.650 23.362 1.00 0.00 C ATOM 407 CD ARG A 27 19.347 20.588 22.380 1.00 0.00 C ATOM 408 NE ARG A 27 20.327 20.245 21.334 1.00 0.00 N ATOM 409 CZ ARG A 27 21.411 19.501 21.443 1.00 0.00 C ATOM 410 NH1 ARG A 27 21.838 18.988 22.555 1.00 0.00 N ATOM 411 NH2 ARG A 27 22.119 19.229 20.393 1.00 0.00 N ATOM 0 H ARG A 27 20.182 24.253 23.846 1.00 0.00 H new ATOM 0 HA ARG A 27 18.116 23.687 25.646 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.035 21.492 24.492 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.075 22.853 23.390 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.416 22.416 22.824 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.546 21.197 24.076 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.086 19.686 22.934 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.433 20.949 21.908 1.00 0.00 H new ATOM 0 HE ARG A 27 20.144 20.632 20.408 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.325 19.151 23.422 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.686 18.422 22.563 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.839 19.590 19.481 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.957 18.654 20.478 1.00 0.00 H new ATOM 425 N GLU A 28 20.921 22.213 26.483 1.00 0.00 N ATOM 426 CA GLU A 28 21.613 21.480 27.549 1.00 0.00 C ATOM 427 C GLU A 28 21.739 22.330 28.820 1.00 0.00 C ATOM 428 O GLU A 28 21.410 21.862 29.907 1.00 0.00 O ATOM 429 CB GLU A 28 23.008 21.023 27.085 1.00 0.00 C ATOM 430 CG GLU A 28 23.039 20.230 25.770 1.00 0.00 C ATOM 431 CD GLU A 28 22.238 18.925 25.826 1.00 0.00 C ATOM 432 OE1 GLU A 28 22.722 17.948 26.441 1.00 0.00 O ATOM 433 OE2 GLU A 28 21.138 18.847 25.227 1.00 0.00 O ATOM 0 H GLU A 28 21.545 22.530 25.741 1.00 0.00 H new ATOM 0 HA GLU A 28 21.013 20.600 27.781 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.641 21.903 26.974 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.450 20.409 27.870 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.645 20.855 24.968 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.074 20.001 25.517 1.00 0.00 H new ATOM 440 N CYS A 29 22.124 23.604 28.694 1.00 0.00 N ATOM 441 CA CYS A 29 22.182 24.538 29.821 1.00 0.00 C ATOM 442 C CYS A 29 20.798 24.711 30.481 1.00 0.00 C ATOM 443 O CYS A 29 20.678 24.668 31.707 1.00 0.00 O ATOM 444 CB CYS A 29 22.710 25.890 29.326 1.00 0.00 C ATOM 445 SG CYS A 29 24.369 25.906 28.584 1.00 0.00 S ATOM 0 H CYS A 29 22.405 24.017 27.805 1.00 0.00 H new ATOM 0 HA CYS A 29 22.855 24.133 30.576 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.006 26.280 28.591 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.708 26.583 30.167 1.00 0.00 H new ATOM 450 N LYS A 30 19.737 24.841 29.672 1.00 0.00 N ATOM 451 CA LYS A 30 18.349 24.967 30.140 1.00 0.00 C ATOM 452 C LYS A 30 17.808 23.668 30.759 1.00 0.00 C ATOM 453 O LYS A 30 17.025 23.716 31.709 1.00 0.00 O ATOM 454 CB LYS A 30 17.503 25.459 28.957 1.00 0.00 C ATOM 455 CG LYS A 30 16.101 25.890 29.400 1.00 0.00 C ATOM 456 CD LYS A 30 15.239 26.432 28.252 1.00 0.00 C ATOM 457 CE LYS A 30 15.836 27.637 27.512 1.00 0.00 C ATOM 458 NZ LYS A 30 16.100 28.788 28.406 1.00 0.00 N ATOM 0 H LYS A 30 19.821 24.862 28.656 1.00 0.00 H new ATOM 0 HA LYS A 30 18.300 25.691 30.954 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.006 26.297 28.475 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.422 24.666 28.214 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.594 25.039 29.855 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.191 26.656 30.170 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.070 25.630 27.534 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.264 26.714 28.650 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.766 27.337 27.030 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.153 27.947 26.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.022 29.673 27.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.406 28.793 29.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.059 28.708 28.801 1.00 0.00 H new ATOM 472 N GLN A 31 18.260 22.511 30.268 1.00 0.00 N ATOM 473 CA GLN A 31 17.979 21.201 30.865 1.00 0.00 C ATOM 474 C GLN A 31 18.656 21.059 32.235 1.00 0.00 C ATOM 475 O GLN A 31 17.989 20.698 33.205 1.00 0.00 O ATOM 476 CB GLN A 31 18.416 20.093 29.885 1.00 0.00 C ATOM 477 CG GLN A 31 18.239 18.664 30.427 1.00 0.00 C ATOM 478 CD GLN A 31 18.736 17.588 29.462 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.116 17.832 28.322 1.00 0.00 O ATOM 480 NE2 GLN A 31 18.777 16.352 29.894 1.00 0.00 N ATOM 0 H GLN A 31 18.841 22.456 29.431 1.00 0.00 H new ATOM 0 HA GLN A 31 16.907 21.105 31.040 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.844 20.193 28.963 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.464 20.244 29.627 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.775 18.572 31.371 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.184 18.492 30.641 1.00 0.00 H new ATOM 0 HE21 GLN A 31 18.465 16.132 30.840 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.121 15.610 29.285 1.00 0.00 H new ATOM 489 N GLN A 32 19.954 21.357 32.334 1.00 0.00 N ATOM 490 CA GLN A 32 20.749 21.132 33.546 1.00 0.00 C ATOM 491 C GLN A 32 20.434 22.119 34.681 1.00 0.00 C ATOM 492 O GLN A 32 20.333 21.684 35.829 1.00 0.00 O ATOM 493 CB GLN A 32 22.250 21.175 33.197 1.00 0.00 C ATOM 494 CG GLN A 32 22.738 19.964 32.379 1.00 0.00 C ATOM 495 CD GLN A 32 22.605 18.648 33.139 1.00 0.00 C ATOM 496 OE1 GLN A 32 21.790 17.787 32.823 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.376 18.433 34.176 1.00 0.00 N ATOM 0 H GLN A 32 20.489 21.766 31.568 1.00 0.00 H new ATOM 0 HA GLN A 32 20.478 20.146 33.922 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.456 22.086 32.636 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.826 21.232 34.121 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.167 19.903 31.452 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.781 20.115 32.102 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.061 19.135 34.457 1.00 0.00 H new ATOM 0 HE22 GLN A 32 23.292 17.564 34.703 1.00 0.00 H new ATOM 506 N TYR A 33 20.272 23.415 34.379 1.00 0.00 N ATOM 507 CA TYR A 33 20.273 24.487 35.392 1.00 0.00 C ATOM 508 C TYR A 33 18.924 25.193 35.613 1.00 0.00 C ATOM 509 O TYR A 33 18.766 25.872 36.634 1.00 0.00 O ATOM 510 CB TYR A 33 21.372 25.500 35.033 1.00 0.00 C ATOM 511 CG TYR A 33 22.755 24.883 34.920 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.396 24.401 36.074 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.385 24.758 33.666 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.656 23.785 35.981 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.639 24.127 33.565 1.00 0.00 C ATOM 516 CZ TYR A 33 25.280 23.642 34.722 1.00 0.00 C ATOM 517 OH TYR A 33 26.496 23.043 34.627 1.00 0.00 O ATOM 0 H TYR A 33 20.136 23.753 33.426 1.00 0.00 H new ATOM 0 HA TYR A 33 20.473 24.005 36.349 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.118 25.978 34.087 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.394 26.283 35.791 1.00 0.00 H new ATOM 0 HD1 TYR A 33 22.918 24.504 37.037 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.905 25.147 32.780 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.147 23.421 36.872 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.110 24.015 32.600 1.00 0.00 H new ATOM 0 HH TYR A 33 26.990 23.171 35.464 1.00 0.00 H new ATOM 527 N GLY A 34 17.955 25.023 34.705 1.00 0.00 N ATOM 528 CA GLY A 34 16.591 25.553 34.828 1.00 0.00 C ATOM 529 C GLY A 34 16.087 26.305 33.590 1.00 0.00 C ATOM 530 O GLY A 34 16.873 26.799 32.781 1.00 0.00 O ATOM 0 H GLY A 34 18.102 24.499 33.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.911 24.727 35.037 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.551 26.224 35.686 1.00 0.00 H new ATOM 534 N LYS A 35 14.757 26.412 33.445 1.00 0.00 N ATOM 535 CA LYS A 35 14.055 26.988 32.280 1.00 0.00 C ATOM 536 C LYS A 35 14.524 28.387 31.850 1.00 0.00 C ATOM 537 O LYS A 35 14.508 28.687 30.658 1.00 0.00 O ATOM 538 CB LYS A 35 12.534 26.970 32.528 1.00 0.00 C ATOM 539 CG LYS A 35 12.068 27.897 33.668 1.00 0.00 C ATOM 540 CD LYS A 35 10.554 27.878 33.909 1.00 0.00 C ATOM 541 CE LYS A 35 9.764 28.319 32.673 1.00 0.00 C ATOM 542 NZ LYS A 35 8.376 28.703 33.016 1.00 0.00 N ATOM 0 H LYS A 35 14.111 26.087 34.165 1.00 0.00 H new ATOM 0 HA LYS A 35 14.315 26.348 31.437 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.024 27.259 31.609 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.227 25.949 32.756 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.575 27.607 34.588 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.377 28.918 33.441 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.246 26.872 34.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.313 28.535 34.745 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.268 29.162 32.201 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.747 27.509 31.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.874 28.995 32.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.887 27.891 33.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.391 29.493 33.692 1.00 0.00 H new ATOM 556 N SER A 36 14.976 29.222 32.784 1.00 0.00 N ATOM 557 CA SER A 36 15.455 30.588 32.505 1.00 0.00 C ATOM 558 C SER A 36 16.927 30.648 32.069 1.00 0.00 C ATOM 559 O SER A 36 17.352 31.629 31.457 1.00 0.00 O ATOM 560 CB SER A 36 15.236 31.472 33.735 1.00 0.00 C ATOM 561 OG SER A 36 13.861 31.479 34.084 1.00 0.00 O ATOM 0 H SER A 36 15.023 28.972 33.772 1.00 0.00 H new ATOM 0 HA SER A 36 14.872 30.957 31.661 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.831 31.102 34.570 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.573 32.488 33.529 1.00 0.00 H new ATOM 0 HG SER A 36 13.727 32.045 34.873 1.00 0.00 H new ATOM 567 N SER A 37 17.712 29.603 32.342 1.00 0.00 N ATOM 568 CA SER A 37 19.137 29.538 32.002 1.00 0.00 C ATOM 569 C SER A 37 19.374 29.332 30.501 1.00 0.00 C ATOM 570 O SER A 37 18.536 28.758 29.795 1.00 0.00 O ATOM 571 CB SER A 37 19.828 28.450 32.826 1.00 0.00 C ATOM 572 OG SER A 37 19.741 28.775 34.205 1.00 0.00 O ATOM 0 H SER A 37 17.371 28.765 32.813 1.00 0.00 H new ATOM 0 HA SER A 37 19.577 30.503 32.253 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.359 27.484 32.639 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.873 28.361 32.527 1.00 0.00 H new ATOM 0 HG SER A 37 19.906 29.733 34.326 1.00 0.00 H new ATOM 578 N GLY A 38 20.520 29.803 30.008 1.00 0.00 N ATOM 579 CA GLY A 38 20.913 29.740 28.597 1.00 0.00 C ATOM 580 C GLY A 38 22.401 29.454 28.402 1.00 0.00 C ATOM 581 O GLY A 38 23.067 28.987 29.325 1.00 0.00 O ATOM 0 H GLY A 38 21.222 30.252 30.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.332 28.965 28.098 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.664 30.685 28.114 1.00 0.00 H new ATOM 585 N GLY A 39 22.931 29.688 27.199 1.00 0.00 N ATOM 586 CA GLY A 39 24.335 29.396 26.892 1.00 0.00 C ATOM 587 C GLY A 39 24.680 29.324 25.405 1.00 0.00 C ATOM 588 O GLY A 39 23.801 29.261 24.540 1.00 0.00 O ATOM 0 H GLY A 39 22.407 30.081 26.417 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.957 30.162 27.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.601 28.446 27.356 1.00 0.00 H new ATOM 592 N TYR A 40 25.981 29.329 25.117 1.00 0.00 N ATOM 593 CA TYR A 40 26.549 29.421 23.771 1.00 0.00 C ATOM 594 C TYR A 40 27.871 28.637 23.624 1.00 0.00 C ATOM 595 O TYR A 40 28.495 28.262 24.618 1.00 0.00 O ATOM 596 CB TYR A 40 26.719 30.907 23.405 1.00 0.00 C ATOM 597 CG TYR A 40 27.703 31.694 24.257 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.287 32.346 25.438 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.040 31.800 23.842 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.215 33.080 26.207 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.972 32.517 24.611 1.00 0.00 C ATOM 602 CZ TYR A 40 29.564 33.158 25.799 1.00 0.00 C ATOM 603 OH TYR A 40 30.480 33.858 26.520 1.00 0.00 O ATOM 0 H TYR A 40 26.696 29.267 25.842 1.00 0.00 H new ATOM 0 HA TYR A 40 25.859 28.950 23.071 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.038 30.971 22.365 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.744 31.391 23.470 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.256 32.283 25.754 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.355 31.326 22.924 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.893 33.582 27.107 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.002 32.577 24.292 1.00 0.00 H new ATOM 0 HH TYR A 40 31.335 33.380 26.515 1.00 0.00 H new ATOM 613 N CYS A 41 28.317 28.381 22.388 1.00 0.00 N ATOM 614 CA CYS A 41 29.626 27.759 22.132 1.00 0.00 C ATOM 615 C CYS A 41 30.777 28.786 22.222 1.00 0.00 C ATOM 616 O CYS A 41 30.708 29.867 21.640 1.00 0.00 O ATOM 617 CB CYS A 41 29.638 27.011 20.792 1.00 0.00 C ATOM 618 SG CYS A 41 28.377 25.726 20.585 1.00 0.00 S ATOM 0 H CYS A 41 27.788 28.596 21.543 1.00 0.00 H new ATOM 0 HA CYS A 41 29.794 27.023 22.918 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.519 27.740 19.991 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.619 26.553 20.663 1.00 0.00 H new ATOM 623 N TYR A 42 31.844 28.432 22.939 1.00 0.00 N ATOM 624 CA TYR A 42 32.984 29.262 23.354 1.00 0.00 C ATOM 625 C TYR A 42 34.265 28.797 22.622 1.00 0.00 C ATOM 626 O TYR A 42 35.218 28.293 23.226 1.00 0.00 O ATOM 627 CB TYR A 42 33.063 29.198 24.897 1.00 0.00 C ATOM 628 CG TYR A 42 33.634 30.407 25.628 1.00 0.00 C ATOM 629 CD1 TYR A 42 35.022 30.642 25.683 1.00 0.00 C ATOM 630 CD2 TYR A 42 32.766 31.242 26.358 1.00 0.00 C ATOM 631 CE1 TYR A 42 35.536 31.685 26.484 1.00 0.00 C ATOM 632 CE2 TYR A 42 33.274 32.268 27.175 1.00 0.00 C ATOM 633 CZ TYR A 42 34.661 32.488 27.254 1.00 0.00 C ATOM 634 OH TYR A 42 35.134 33.467 28.075 1.00 0.00 O ATOM 0 H TYR A 42 31.945 27.474 23.275 1.00 0.00 H new ATOM 0 HA TYR A 42 32.864 30.309 23.074 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.057 29.021 25.277 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.663 28.329 25.166 1.00 0.00 H new ATOM 0 HD1 TYR A 42 35.696 30.022 25.110 1.00 0.00 H new ATOM 0 HD2 TYR A 42 31.699 31.093 26.290 1.00 0.00 H new ATOM 0 HE1 TYR A 42 36.600 31.871 26.509 1.00 0.00 H new ATOM 0 HE2 TYR A 42 32.597 32.889 27.743 1.00 0.00 H new ATOM 0 HH TYR A 42 34.383 33.912 28.520 1.00 0.00 H new ATOM 644 N ALA A 43 34.226 28.883 21.286 1.00 0.00 N ATOM 645 CA ALA A 43 35.205 28.427 20.283 1.00 0.00 C ATOM 646 C ALA A 43 35.469 26.904 20.208 1.00 0.00 C ATOM 647 O ALA A 43 35.634 26.374 19.105 1.00 0.00 O ATOM 648 CB ALA A 43 36.492 29.259 20.403 1.00 0.00 C ATOM 0 H ALA A 43 33.424 29.319 20.830 1.00 0.00 H new ATOM 0 HA ALA A 43 34.737 28.609 19.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 37.215 28.920 19.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 36.262 30.311 20.233 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.913 29.137 21.401 1.00 0.00 H new ATOM 654 N PHE A 44 35.507 26.203 21.348 1.00 0.00 N ATOM 655 CA PHE A 44 35.826 24.767 21.455 1.00 0.00 C ATOM 656 C PHE A 44 34.929 23.979 22.437 1.00 0.00 C ATOM 657 O PHE A 44 34.871 22.747 22.355 1.00 0.00 O ATOM 658 CB PHE A 44 37.309 24.625 21.849 1.00 0.00 C ATOM 659 CG PHE A 44 38.293 25.140 20.811 1.00 0.00 C ATOM 660 CD1 PHE A 44 38.751 24.286 19.789 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.752 26.472 20.856 1.00 0.00 C ATOM 662 CE1 PHE A 44 39.636 24.765 18.805 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.630 26.952 19.867 1.00 0.00 C ATOM 664 CZ PHE A 44 40.070 26.101 18.839 1.00 0.00 C ATOM 0 H PHE A 44 35.311 26.630 22.253 1.00 0.00 H new ATOM 0 HA PHE A 44 35.628 24.324 20.479 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.475 25.159 22.784 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.521 23.573 22.041 1.00 0.00 H new ATOM 0 HD1 PHE A 44 38.421 23.258 19.760 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.429 27.126 21.652 1.00 0.00 H new ATOM 0 HE1 PHE A 44 39.982 24.105 18.023 1.00 0.00 H new ATOM 0 HE2 PHE A 44 39.967 27.978 19.898 1.00 0.00 H new ATOM 0 HZ PHE A 44 40.740 26.473 18.077 1.00 0.00 H new ATOM 674 N ALA A 45 34.207 24.659 23.338 1.00 0.00 N ATOM 675 CA ALA A 45 33.362 24.071 24.387 1.00 0.00 C ATOM 676 C ALA A 45 32.092 24.895 24.665 1.00 0.00 C ATOM 677 O ALA A 45 32.035 26.067 24.312 1.00 0.00 O ATOM 678 CB ALA A 45 34.207 23.916 25.654 1.00 0.00 C ATOM 0 H ALA A 45 34.195 25.679 23.357 1.00 0.00 H new ATOM 0 HA ALA A 45 33.010 23.098 24.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.598 23.481 26.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.055 23.263 25.448 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.570 24.894 25.971 1.00 0.00 H new ATOM 684 N CYS A 46 31.076 24.312 25.303 1.00 0.00 N ATOM 685 CA CYS A 46 29.872 25.029 25.729 1.00 0.00 C ATOM 686 C CYS A 46 30.107 25.881 26.990 1.00 0.00 C ATOM 687 O CYS A 46 30.759 25.439 27.937 1.00 0.00 O ATOM 688 CB CYS A 46 28.744 24.018 25.968 1.00 0.00 C ATOM 689 SG CYS A 46 27.918 23.369 24.489 1.00 0.00 S ATOM 0 H CYS A 46 31.065 23.320 25.541 1.00 0.00 H new ATOM 0 HA CYS A 46 29.594 25.721 24.934 1.00 0.00 H new ATOM 0 HB2 CYS A 46 29.152 23.177 26.529 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.992 24.488 26.601 1.00 0.00 H new ATOM 694 N TRP A 47 29.499 27.068 27.030 1.00 0.00 N ATOM 695 CA TRP A 47 29.471 27.993 28.169 1.00 0.00 C ATOM 696 C TRP A 47 28.020 28.371 28.490 1.00 0.00 C ATOM 697 O TRP A 47 27.287 28.835 27.614 1.00 0.00 O ATOM 698 CB TRP A 47 30.322 29.218 27.815 1.00 0.00 C ATOM 699 CG TRP A 47 30.390 30.321 28.831 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.469 31.299 28.985 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.435 30.606 29.814 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.862 32.162 29.990 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.056 31.767 30.553 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.663 30.001 30.165 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.831 32.278 31.607 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.446 30.503 31.222 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.029 31.629 31.953 1.00 0.00 C ATOM 0 H TRP A 47 28.985 27.431 26.227 1.00 0.00 H new ATOM 0 HA TRP A 47 29.888 27.528 29.062 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.338 28.878 27.617 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.939 29.638 26.885 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.561 31.392 28.408 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.335 32.987 30.278 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.007 29.139 29.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.511 33.158 32.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.377 30.018 31.474 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.626 31.994 32.776 1.00 0.00 H new ATOM 718 N CYS A 48 27.591 28.163 29.733 1.00 0.00 N ATOM 719 CA CYS A 48 26.226 28.408 30.198 1.00 0.00 C ATOM 720 C CYS A 48 26.121 29.727 30.985 1.00 0.00 C ATOM 721 O CYS A 48 27.055 30.124 31.686 1.00 0.00 O ATOM 722 CB CYS A 48 25.735 27.199 31.007 1.00 0.00 C ATOM 723 SG CYS A 48 25.655 25.607 30.136 1.00 0.00 S ATOM 0 H CYS A 48 28.203 27.808 30.468 1.00 0.00 H new ATOM 0 HA CYS A 48 25.572 28.526 29.334 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.389 27.081 31.871 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.740 27.427 31.389 1.00 0.00 H new ATOM 728 N THR A 49 24.977 30.409 30.874 1.00 0.00 N ATOM 729 CA THR A 49 24.719 31.743 31.449 1.00 0.00 C ATOM 730 C THR A 49 23.317 31.851 32.062 1.00 0.00 C ATOM 731 O THR A 49 22.473 30.969 31.873 1.00 0.00 O ATOM 732 CB THR A 49 24.957 32.874 30.425 1.00 0.00 C ATOM 733 OG1 THR A 49 23.938 32.963 29.454 1.00 0.00 O ATOM 734 CG2 THR A 49 26.276 32.735 29.665 1.00 0.00 C ATOM 0 H THR A 49 24.174 30.039 30.365 1.00 0.00 H new ATOM 0 HA THR A 49 25.441 31.868 32.256 1.00 0.00 H new ATOM 0 HB THR A 49 24.973 33.772 31.042 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.139 33.695 28.835 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.380 33.562 28.962 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.106 32.752 30.371 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.284 31.792 29.119 1.00 0.00 H new ATOM 742 N HIS A 50 23.064 32.924 32.821 1.00 0.00 N ATOM 743 CA HIS A 50 21.859 33.113 33.641 1.00 0.00 C ATOM 744 C HIS A 50 21.640 31.953 34.638 1.00 0.00 C ATOM 745 O HIS A 50 20.569 31.338 34.684 1.00 0.00 O ATOM 746 CB HIS A 50 20.662 33.477 32.737 1.00 0.00 C ATOM 747 CG HIS A 50 19.556 34.248 33.417 1.00 0.00 C ATOM 748 ND1 HIS A 50 18.192 33.941 33.359 1.00 0.00 N ATOM 749 CD2 HIS A 50 19.707 35.422 34.093 1.00 0.00 C ATOM 750 CE1 HIS A 50 17.557 34.943 33.987 1.00 0.00 C ATOM 751 NE2 HIS A 50 18.443 35.836 34.453 1.00 0.00 N ATOM 0 H HIS A 50 23.712 33.710 32.884 1.00 0.00 H new ATOM 0 HA HIS A 50 21.988 33.969 34.304 1.00 0.00 H new ATOM 0 HB2 HIS A 50 21.028 34.064 31.895 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.244 32.558 32.327 1.00 0.00 H new ATOM 0 HD1 HIS A 50 17.766 33.121 32.927 1.00 0.00 H new ATOM 0 HD2 HIS A 50 20.637 35.929 34.305 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.486 35.019 34.101 1.00 0.00 H new ATOM 759 N LEU A 51 22.685 31.614 35.406 1.00 0.00 N ATOM 760 CA LEU A 51 22.724 30.493 36.362 1.00 0.00 C ATOM 761 C LEU A 51 22.699 30.992 37.817 1.00 0.00 C ATOM 762 O LEU A 51 23.294 32.025 38.135 1.00 0.00 O ATOM 763 CB LEU A 51 23.973 29.611 36.141 1.00 0.00 C ATOM 764 CG LEU A 51 24.411 29.328 34.695 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.695 28.498 34.703 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.337 28.571 33.927 1.00 0.00 C ATOM 0 H LEU A 51 23.563 32.133 35.379 1.00 0.00 H new ATOM 0 HA LEU A 51 21.831 29.894 36.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.810 30.082 36.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.796 28.653 36.630 1.00 0.00 H new ATOM 0 HG LEU A 51 24.580 30.285 34.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.005 28.298 33.677 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.481 29.049 35.219 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.515 27.555 35.219 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.679 28.387 32.909 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.139 27.619 34.421 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.422 29.163 33.901 1.00 0.00 H new ATOM 778 N TYR A 52 22.070 30.228 38.714 1.00 0.00 N ATOM 779 CA TYR A 52 21.975 30.562 40.143 1.00 0.00 C ATOM 780 C TYR A 52 23.342 30.580 40.856 1.00 0.00 C ATOM 781 O TYR A 52 24.309 29.945 40.432 1.00 0.00 O ATOM 782 CB TYR A 52 20.997 29.581 40.815 1.00 0.00 C ATOM 783 CG TYR A 52 20.649 29.837 42.275 1.00 0.00 C ATOM 784 CD1 TYR A 52 20.263 31.121 42.714 1.00 0.00 C ATOM 785 CD2 TYR A 52 20.651 28.766 43.191 1.00 0.00 C ATOM 786 CE1 TYR A 52 19.896 31.331 44.057 1.00 0.00 C ATOM 787 CE2 TYR A 52 20.271 28.971 44.531 1.00 0.00 C ATOM 788 CZ TYR A 52 19.888 30.256 44.971 1.00 0.00 C ATOM 789 OH TYR A 52 19.468 30.457 46.249 1.00 0.00 O ATOM 0 H TYR A 52 21.608 29.352 38.470 1.00 0.00 H new ATOM 0 HA TYR A 52 21.597 31.581 40.230 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.070 29.582 40.241 1.00 0.00 H new ATOM 0 HB3 TYR A 52 21.418 28.579 40.739 1.00 0.00 H new ATOM 0 HD1 TYR A 52 20.249 31.946 42.017 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.946 27.780 42.863 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.619 32.321 44.389 1.00 0.00 H new ATOM 0 HE2 TYR A 52 20.273 28.143 45.224 1.00 0.00 H new ATOM 0 HH TYR A 52 19.524 29.615 46.748 1.00 0.00 H new ATOM 799 N GLU A 53 23.409 31.259 42.005 1.00 0.00 N ATOM 800 CA GLU A 53 24.612 31.377 42.848 1.00 0.00 C ATOM 801 C GLU A 53 25.143 30.025 43.377 1.00 0.00 C ATOM 802 O GLU A 53 26.274 29.952 43.862 1.00 0.00 O ATOM 803 CB GLU A 53 24.305 32.287 44.050 1.00 0.00 C ATOM 804 CG GLU A 53 23.665 33.649 43.729 1.00 0.00 C ATOM 805 CD GLU A 53 24.479 34.540 42.784 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.733 34.523 42.827 1.00 0.00 O ATOM 807 OE2 GLU A 53 23.864 35.348 42.045 1.00 0.00 O ATOM 0 H GLU A 53 22.607 31.758 42.389 1.00 0.00 H new ATOM 0 HA GLU A 53 25.390 31.797 42.210 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.641 31.748 44.726 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.235 32.465 44.591 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.684 33.477 43.287 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.504 34.187 44.663 1.00 0.00 H new ATOM 814 N GLN A 54 24.348 28.951 43.278 1.00 0.00 N ATOM 815 CA GLN A 54 24.686 27.580 43.691 1.00 0.00 C ATOM 816 C GLN A 54 24.650 26.575 42.507 1.00 0.00 C ATOM 817 O GLN A 54 24.355 25.391 42.689 1.00 0.00 O ATOM 818 CB GLN A 54 23.800 27.156 44.881 1.00 0.00 C ATOM 819 CG GLN A 54 23.878 28.109 46.095 1.00 0.00 C ATOM 820 CD GLN A 54 23.051 27.632 47.291 1.00 0.00 C ATOM 821 OE1 GLN A 54 22.544 26.517 47.342 1.00 0.00 O ATOM 822 NE2 GLN A 54 22.871 28.442 48.310 1.00 0.00 N ATOM 0 H GLN A 54 23.407 29.016 42.890 1.00 0.00 H new ATOM 0 HA GLN A 54 25.721 27.567 44.031 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.765 27.095 44.546 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.091 26.155 45.199 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.919 28.213 46.400 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.533 29.098 45.795 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.280 29.376 48.297 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.322 28.136 49.114 1.00 0.00 H new ATOM 831 N ALA A 55 24.883 27.043 41.272 1.00 0.00 N ATOM 832 CA ALA A 55 24.945 26.213 40.061 1.00 0.00 C ATOM 833 C ALA A 55 26.357 25.633 39.815 1.00 0.00 C ATOM 834 O ALA A 55 27.331 26.388 39.787 1.00 0.00 O ATOM 835 CB ALA A 55 24.474 27.053 38.869 1.00 0.00 C ATOM 0 H ALA A 55 25.037 28.034 41.084 1.00 0.00 H new ATOM 0 HA ALA A 55 24.288 25.353 40.192 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.514 26.451 37.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.450 27.385 39.040 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.123 27.922 38.757 1.00 0.00 H new ATOM 841 N VAL A 56 26.479 24.318 39.600 1.00 0.00 N ATOM 842 CA VAL A 56 27.772 23.629 39.394 1.00 0.00 C ATOM 843 C VAL A 56 28.303 23.742 37.954 1.00 0.00 C ATOM 844 O VAL A 56 27.636 23.343 37.001 1.00 0.00 O ATOM 845 CB VAL A 56 27.703 22.165 39.888 1.00 0.00 C ATOM 846 CG1 VAL A 56 26.723 21.270 39.122 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.086 21.503 39.878 1.00 0.00 C ATOM 0 H VAL A 56 25.677 23.689 39.563 1.00 0.00 H new ATOM 0 HA VAL A 56 28.507 24.151 40.006 1.00 0.00 H new ATOM 0 HB VAL A 56 27.324 22.250 40.907 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.745 20.264 39.541 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.715 21.677 39.208 1.00 0.00 H new ATOM 0 HG13 VAL A 56 27.010 21.232 38.071 1.00 0.00 H new ATOM 0 HG21 VAL A 56 29.000 20.475 40.231 1.00 0.00 H new ATOM 0 HG22 VAL A 56 29.483 21.506 38.863 1.00 0.00 H new ATOM 0 HG23 VAL A 56 29.759 22.056 40.533 1.00 0.00 H new ATOM 857 N VAL A 57 29.525 24.254 37.784 1.00 0.00 N ATOM 858 CA VAL A 57 30.226 24.400 36.485 1.00 0.00 C ATOM 859 C VAL A 57 31.686 23.926 36.565 1.00 0.00 C ATOM 860 O VAL A 57 32.226 23.712 37.659 1.00 0.00 O ATOM 861 CB VAL A 57 30.150 25.851 35.955 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.713 26.253 35.602 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.722 26.880 36.936 1.00 0.00 C ATOM 0 H VAL A 57 30.081 24.593 38.569 1.00 0.00 H new ATOM 0 HA VAL A 57 29.707 23.756 35.775 1.00 0.00 H new ATOM 0 HB VAL A 57 30.765 25.856 35.055 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.702 27.279 35.234 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.328 25.586 34.831 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.086 26.180 36.491 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.639 27.878 36.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.164 26.841 37.871 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.771 26.654 37.130 1.00 0.00 H new ATOM 873 N TRP A 58 32.351 23.757 35.415 1.00 0.00 N ATOM 874 CA TRP A 58 33.786 23.437 35.376 1.00 0.00 C ATOM 875 C TRP A 58 34.613 24.652 35.860 1.00 0.00 C ATOM 876 O TRP A 58 34.387 25.764 35.369 1.00 0.00 O ATOM 877 CB TRP A 58 34.183 22.986 33.964 1.00 0.00 C ATOM 878 CG TRP A 58 35.583 22.465 33.817 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.998 21.226 34.169 1.00 0.00 C ATOM 880 CD2 TRP A 58 36.764 23.133 33.263 1.00 0.00 C ATOM 881 NE1 TRP A 58 37.341 21.085 33.887 1.00 0.00 N ATOM 882 CE2 TRP A 58 37.860 22.217 33.298 1.00 0.00 C ATOM 883 CE3 TRP A 58 37.022 24.411 32.718 1.00 0.00 C ATOM 884 CZ2 TRP A 58 39.132 22.541 32.800 1.00 0.00 C ATOM 885 CZ3 TRP A 58 38.295 24.747 32.213 1.00 0.00 C ATOM 886 CH2 TRP A 58 39.347 23.812 32.241 1.00 0.00 C ATOM 0 H TRP A 58 31.917 23.837 34.495 1.00 0.00 H new ATOM 0 HA TRP A 58 33.999 22.610 36.054 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.490 22.209 33.642 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.055 23.828 33.284 1.00 0.00 H new ATOM 0 HD1 TRP A 58 35.372 20.462 34.605 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.883 20.245 34.090 1.00 0.00 H new ATOM 0 HE3 TRP A 58 36.229 25.144 32.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 39.936 21.821 32.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 38.464 25.731 31.801 1.00 0.00 H new ATOM 0 HH2 TRP A 58 40.314 24.070 31.835 1.00 0.00 H new ATOM 897 N PRO A 59 35.534 24.498 36.834 1.00 0.00 N ATOM 898 CA PRO A 59 36.225 25.629 37.458 1.00 0.00 C ATOM 899 C PRO A 59 37.235 26.273 36.497 1.00 0.00 C ATOM 900 O PRO A 59 38.110 25.596 35.960 1.00 0.00 O ATOM 901 CB PRO A 59 36.899 25.052 38.708 1.00 0.00 C ATOM 902 CG PRO A 59 37.148 23.589 38.333 1.00 0.00 C ATOM 903 CD PRO A 59 35.933 23.248 37.470 1.00 0.00 C ATOM 0 HA PRO A 59 35.536 26.432 37.718 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.829 25.571 38.939 1.00 0.00 H new ATOM 0 HB3 PRO A 59 36.259 25.138 39.586 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.081 23.466 37.784 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.210 22.951 39.214 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.182 22.492 36.725 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.124 22.842 38.077 1.00 0.00 H new ATOM 911 N LEU A 60 37.153 27.593 36.306 1.00 0.00 N ATOM 912 CA LEU A 60 37.895 28.316 35.262 1.00 0.00 C ATOM 913 C LEU A 60 39.447 28.304 35.381 1.00 0.00 C ATOM 914 O LEU A 60 40.093 28.310 34.327 1.00 0.00 O ATOM 915 CB LEU A 60 37.300 29.739 35.179 1.00 0.00 C ATOM 916 CG LEU A 60 37.823 30.632 34.041 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.564 30.026 32.662 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.125 31.991 34.096 1.00 0.00 C ATOM 0 H LEU A 60 36.564 28.199 36.877 1.00 0.00 H new ATOM 0 HA LEU A 60 37.758 27.776 34.325 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.218 29.652 35.076 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.490 30.245 36.126 1.00 0.00 H new ATOM 0 HG LEU A 60 38.899 30.730 34.182 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.951 30.694 31.893 1.00 0.00 H new ATOM 0 HD12 LEU A 60 38.064 29.060 32.589 1.00 0.00 H new ATOM 0 HD13 LEU A 60 36.492 29.891 32.519 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.496 32.623 33.289 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.050 31.853 33.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 37.331 32.467 35.055 1.00 0.00 H new ATOM 930 N PRO A 61 40.076 28.276 36.582 1.00 0.00 N ATOM 931 CA PRO A 61 41.541 28.343 36.715 1.00 0.00 C ATOM 932 C PRO A 61 42.220 27.052 37.229 1.00 0.00 C ATOM 933 O PRO A 61 43.449 26.989 37.307 1.00 0.00 O ATOM 934 CB PRO A 61 41.738 29.488 37.711 1.00 0.00 C ATOM 935 CG PRO A 61 40.613 29.243 38.718 1.00 0.00 C ATOM 936 CD PRO A 61 39.481 28.665 37.861 1.00 0.00 C ATOM 0 HA PRO A 61 42.007 28.487 35.740 1.00 0.00 H new ATOM 0 HB2 PRO A 61 42.720 29.452 38.182 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.650 30.463 37.232 1.00 0.00 H new ATOM 0 HG2 PRO A 61 40.919 28.548 39.500 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.310 30.166 39.213 1.00 0.00 H new ATOM 0 HD2 PRO A 61 39.024 27.806 38.352 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.693 29.403 37.712 1.00 0.00 H new ATOM 944 N ASN A 62 41.448 26.051 37.667 1.00 0.00 N ATOM 945 CA ASN A 62 41.925 25.020 38.597 1.00 0.00 C ATOM 946 C ASN A 62 42.443 23.723 37.944 1.00 0.00 C ATOM 947 O ASN A 62 43.166 22.984 38.611 1.00 0.00 O ATOM 948 CB ASN A 62 40.792 24.744 39.609 1.00 0.00 C ATOM 949 CG ASN A 62 41.180 23.775 40.719 1.00 0.00 C ATOM 950 OD1 ASN A 62 40.718 22.644 40.791 1.00 0.00 O ATOM 951 ND2 ASN A 62 42.031 24.184 41.626 1.00 0.00 N ATOM 0 H ASN A 62 40.474 25.932 37.387 1.00 0.00 H new ATOM 0 HA ASN A 62 42.814 25.411 39.091 1.00 0.00 H new ATOM 0 HB2 ASN A 62 40.479 25.688 40.056 1.00 0.00 H new ATOM 0 HB3 ASN A 62 39.930 24.344 39.075 1.00 0.00 H new ATOM 0 HD21 ASN A 62 42.305 23.561 42.386 1.00 0.00 H new ATOM 0 HD22 ASN A 62 42.420 25.125 41.572 1.00 0.00 H new ATOM 958 N LYS A 63 42.067 23.397 36.697 1.00 0.00 N ATOM 959 CA LYS A 63 42.207 22.030 36.144 1.00 0.00 C ATOM 960 C LYS A 63 42.678 21.975 34.689 1.00 0.00 C ATOM 961 O LYS A 63 42.484 22.915 33.918 1.00 0.00 O ATOM 962 CB LYS A 63 40.878 21.262 36.311 1.00 0.00 C ATOM 963 CG LYS A 63 40.537 21.046 37.793 1.00 0.00 C ATOM 964 CD LYS A 63 39.426 20.014 38.018 1.00 0.00 C ATOM 965 CE LYS A 63 39.210 19.799 39.522 1.00 0.00 C ATOM 966 NZ LYS A 63 40.311 19.020 40.139 1.00 0.00 N ATOM 0 H LYS A 63 41.659 24.065 36.043 1.00 0.00 H new ATOM 0 HA LYS A 63 43.000 21.553 36.719 1.00 0.00 H new ATOM 0 HB2 LYS A 63 40.073 21.816 35.828 1.00 0.00 H new ATOM 0 HB3 LYS A 63 40.948 20.298 35.808 1.00 0.00 H new ATOM 0 HG2 LYS A 63 41.434 20.724 38.321 1.00 0.00 H new ATOM 0 HG3 LYS A 63 40.233 21.997 38.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 38.501 20.356 37.554 1.00 0.00 H new ATOM 0 HD3 LYS A 63 39.692 19.071 37.541 1.00 0.00 H new ATOM 0 HE2 LYS A 63 39.129 20.766 40.018 1.00 0.00 H new ATOM 0 HE3 LYS A 63 38.265 19.279 39.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 40.054 18.768 41.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 40.473 18.153 39.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.179 19.593 40.147 1.00 0.00 H new ATOM 980 N THR A 64 43.255 20.835 34.302 1.00 0.00 N ATOM 981 CA THR A 64 43.601 20.498 32.909 1.00 0.00 C ATOM 982 C THR A 64 43.197 19.057 32.584 1.00 0.00 C ATOM 983 O THR A 64 43.430 18.143 33.379 1.00 0.00 O ATOM 984 CB THR A 64 45.085 20.779 32.604 1.00 0.00 C ATOM 985 OG1 THR A 64 45.324 20.616 31.224 1.00 0.00 O ATOM 986 CG2 THR A 64 46.085 19.896 33.350 1.00 0.00 C ATOM 0 H THR A 64 43.503 20.098 34.962 1.00 0.00 H new ATOM 0 HA THR A 64 43.029 21.151 32.250 1.00 0.00 H new ATOM 0 HB THR A 64 45.248 21.801 32.946 1.00 0.00 H new ATOM 0 HG1 THR A 64 46.268 20.797 31.032 1.00 0.00 H new ATOM 0 HG21 THR A 64 47.100 20.174 33.065 1.00 0.00 H new ATOM 0 HG22 THR A 64 45.960 20.032 34.424 1.00 0.00 H new ATOM 0 HG23 THR A 64 45.910 18.851 33.094 1.00 0.00 H new ATOM 994 N CYS A 65 42.536 18.854 31.444 1.00 0.00 N ATOM 995 CA CYS A 65 41.867 17.597 31.093 1.00 0.00 C ATOM 996 C CYS A 65 41.677 17.346 29.583 1.00 0.00 C ATOM 997 O CYS A 65 41.351 16.220 29.205 1.00 0.00 O ATOM 998 CB CYS A 65 40.507 17.588 31.805 1.00 0.00 C ATOM 999 SG CYS A 65 39.403 18.972 31.401 1.00 0.00 S ATOM 0 H CYS A 65 42.448 19.571 30.724 1.00 0.00 H new ATOM 0 HA CYS A 65 42.518 16.786 31.418 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.996 16.656 31.563 1.00 0.00 H new ATOM 0 HB3 CYS A 65 40.680 17.586 32.881 1.00 0.00 H new ATOM 1004 N ASN A 66 41.868 18.338 28.706 1.00 0.00 N ATOM 1005 CA ASN A 66 41.621 18.206 27.262 1.00 0.00 C ATOM 1006 C ASN A 66 42.617 17.273 26.544 1.00 0.00 C ATOM 1007 O ASN A 66 43.722 16.996 27.012 1.00 0.00 O ATOM 1008 CB ASN A 66 41.600 19.602 26.619 1.00 0.00 C ATOM 1009 CG ASN A 66 40.335 20.368 26.944 1.00 0.00 C ATOM 1010 OD1 ASN A 66 40.304 21.223 27.812 1.00 0.00 O ATOM 1011 ND2 ASN A 66 39.252 20.082 26.268 1.00 0.00 N ATOM 0 H ASN A 66 42.201 19.263 28.979 1.00 0.00 H new ATOM 0 HA ASN A 66 40.648 17.728 27.143 1.00 0.00 H new ATOM 0 HB2 ASN A 66 42.464 20.170 26.963 1.00 0.00 H new ATOM 0 HB3 ASN A 66 41.694 19.502 25.538 1.00 0.00 H new ATOM 0 HD21 ASN A 66 38.381 20.575 26.467 1.00 0.00 H new ATOM 0 HD22 ASN A 66 39.278 19.366 25.542 1.00 0.00 H new HETATM 1018 N NH2 A 67 42.239 16.766 25.379 1.00 0.00 N TER 1021 NH2 A 67