USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0.12) USER MOD Single : A 1 LYS N :NH3+ -166:sc= 1.21 (180deg=1.1) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 15:sc= -0.114 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 2.08 (180deg=1.81) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0.975) USER MOD Single : A 22 ASN : amide:sc= 0.269 K(o=0.27,f=-5.8!) USER MOD Single : A 24 TYR OH : rot 13:sc= 1.08 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0224) USER MOD Single : A 31 GLN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.053) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -71:sc= 1.13 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0259 K(o=-0.026,f=-2.3) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 107:sc= 0.893 USER MOD Single : A 66 ASN : amide:sc=-0.00874 X(o=-0.0087,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 23.918 32.857 38.653 1.00 0.00 N ATOM 2 CA LYS A 1 25.338 32.539 38.389 1.00 0.00 C ATOM 3 C LYS A 1 25.566 32.363 36.881 1.00 0.00 C ATOM 4 O LYS A 1 24.714 31.798 36.203 1.00 0.00 O ATOM 5 CB LYS A 1 25.728 31.277 39.190 1.00 0.00 C ATOM 6 CG LYS A 1 27.230 31.158 39.492 1.00 0.00 C ATOM 7 CD LYS A 1 27.518 29.884 40.312 1.00 0.00 C ATOM 8 CE LYS A 1 28.960 29.791 40.839 1.00 0.00 C ATOM 9 NZ LYS A 1 29.213 30.742 41.950 1.00 0.00 N ATOM 0 H1 LYS A 1 23.816 33.205 39.628 1.00 0.00 H new ATOM 0 H2 LYS A 1 23.597 33.590 37.989 1.00 0.00 H new ATOM 0 H3 LYS A 1 23.341 32.000 38.529 1.00 0.00 H new ATOM 0 HA LYS A 1 25.978 33.359 38.715 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.179 31.275 40.132 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.410 30.395 38.633 1.00 0.00 H new ATOM 0 HG2 LYS A 1 27.793 31.132 38.559 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.567 32.036 40.043 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.830 29.845 41.157 1.00 0.00 H new ATOM 0 HD3 LYS A 1 27.312 29.011 39.692 1.00 0.00 H new ATOM 0 HE2 LYS A 1 29.155 28.775 41.181 1.00 0.00 H new ATOM 0 HE3 LYS A 1 29.656 29.992 40.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.197 30.644 42.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 29.053 31.714 41.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 28.567 30.535 42.738 1.00 0.00 H new ATOM 25 N GLU A 2 26.709 32.778 36.329 1.00 0.00 N ATOM 26 CA GLU A 2 27.176 32.334 34.994 1.00 0.00 C ATOM 27 C GLU A 2 28.502 31.564 35.103 1.00 0.00 C ATOM 28 O GLU A 2 29.144 31.596 36.155 1.00 0.00 O ATOM 29 CB GLU A 2 27.358 33.500 34.001 1.00 0.00 C ATOM 30 CG GLU A 2 26.230 34.547 33.939 1.00 0.00 C ATOM 31 CD GLU A 2 26.438 35.755 34.865 1.00 0.00 C ATOM 32 OE1 GLU A 2 27.598 36.099 35.213 1.00 0.00 O ATOM 33 OE2 GLU A 2 25.420 36.386 35.244 1.00 0.00 O ATOM 0 H GLU A 2 27.344 33.432 36.788 1.00 0.00 H new ATOM 0 HA GLU A 2 26.393 31.681 34.608 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.286 34.015 34.250 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.485 33.079 33.004 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.136 34.902 32.913 1.00 0.00 H new ATOM 0 HG3 GLU A 2 25.287 34.064 34.197 1.00 0.00 H new ATOM 40 N GLY A 3 28.946 30.909 34.026 1.00 0.00 N ATOM 41 CA GLY A 3 30.324 30.420 33.917 1.00 0.00 C ATOM 42 C GLY A 3 30.536 29.290 32.910 1.00 0.00 C ATOM 43 O GLY A 3 29.598 28.769 32.296 1.00 0.00 O ATOM 0 H GLY A 3 28.367 30.704 33.212 1.00 0.00 H new ATOM 0 HA2 GLY A 3 30.968 31.255 33.643 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.649 30.076 34.899 1.00 0.00 H new ATOM 47 N TYR A 4 31.791 28.850 32.808 1.00 0.00 N ATOM 48 CA TYR A 4 32.128 27.540 32.258 1.00 0.00 C ATOM 49 C TYR A 4 31.783 26.462 33.294 1.00 0.00 C ATOM 50 O TYR A 4 32.596 26.093 34.146 1.00 0.00 O ATOM 51 CB TYR A 4 33.595 27.515 31.821 1.00 0.00 C ATOM 52 CG TYR A 4 33.972 26.296 30.998 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.424 25.120 31.628 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.890 26.350 29.593 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.807 24.004 30.859 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.279 25.240 28.820 1.00 0.00 C ATOM 57 CZ TYR A 4 34.748 24.069 29.451 1.00 0.00 C ATOM 58 OH TYR A 4 35.089 22.991 28.700 1.00 0.00 O ATOM 0 H TYR A 4 32.601 29.393 33.105 1.00 0.00 H new ATOM 0 HA TYR A 4 31.541 27.332 31.363 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.806 28.413 31.240 1.00 0.00 H new ATOM 0 HB3 TYR A 4 34.228 27.553 32.707 1.00 0.00 H new ATOM 0 HD1 TYR A 4 34.477 25.074 32.706 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.528 27.245 29.108 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.145 23.101 31.346 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.218 25.285 27.743 1.00 0.00 H new ATOM 0 HH TYR A 4 35.120 22.193 29.268 1.00 0.00 H new ATOM 68 N LEU A 5 30.531 26.005 33.247 1.00 0.00 N ATOM 69 CA LEU A 5 30.033 24.901 34.064 1.00 0.00 C ATOM 70 C LEU A 5 30.642 23.556 33.647 1.00 0.00 C ATOM 71 O LEU A 5 31.018 23.369 32.489 1.00 0.00 O ATOM 72 CB LEU A 5 28.493 24.893 34.109 1.00 0.00 C ATOM 73 CG LEU A 5 27.771 24.356 32.857 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.267 24.301 33.127 1.00 0.00 C ATOM 75 CD2 LEU A 5 28.006 25.213 31.610 1.00 0.00 C ATOM 0 H LEU A 5 29.823 26.400 32.628 1.00 0.00 H new ATOM 0 HA LEU A 5 30.368 25.062 35.089 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.180 24.296 34.966 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.152 25.912 34.289 1.00 0.00 H new ATOM 0 HG LEU A 5 28.182 23.366 32.659 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.752 23.922 32.244 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.073 23.640 33.972 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.902 25.302 33.358 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.471 24.780 30.765 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.643 26.225 31.790 1.00 0.00 H new ATOM 0 HD23 LEU A 5 29.072 25.245 31.386 1.00 0.00 H new ATOM 87 N VAL A 6 30.760 22.631 34.596 1.00 0.00 N ATOM 88 CA VAL A 6 31.471 21.352 34.427 1.00 0.00 C ATOM 89 C VAL A 6 30.934 20.299 35.403 1.00 0.00 C ATOM 90 O VAL A 6 30.227 20.646 36.350 1.00 0.00 O ATOM 91 CB VAL A 6 32.985 21.605 34.602 1.00 0.00 C ATOM 92 CG1 VAL A 6 33.356 21.994 36.038 1.00 0.00 C ATOM 93 CG2 VAL A 6 33.854 20.428 34.151 1.00 0.00 C ATOM 0 H VAL A 6 30.358 22.745 35.526 1.00 0.00 H new ATOM 0 HA VAL A 6 31.301 20.953 33.427 1.00 0.00 H new ATOM 0 HB VAL A 6 33.197 22.449 33.945 1.00 0.00 H new ATOM 0 HG11 VAL A 6 34.431 22.160 36.104 1.00 0.00 H new ATOM 0 HG12 VAL A 6 32.830 22.908 36.315 1.00 0.00 H new ATOM 0 HG13 VAL A 6 33.071 21.191 36.718 1.00 0.00 H new ATOM 0 HG21 VAL A 6 34.905 20.673 34.302 1.00 0.00 H new ATOM 0 HG22 VAL A 6 33.600 19.544 34.735 1.00 0.00 H new ATOM 0 HG23 VAL A 6 33.676 20.228 33.094 1.00 0.00 H new ATOM 103 N SER A 7 31.268 19.022 35.196 1.00 0.00 N ATOM 104 CA SER A 7 30.944 17.934 36.132 1.00 0.00 C ATOM 105 C SER A 7 32.207 17.376 36.794 1.00 0.00 C ATOM 106 O SER A 7 33.207 17.111 36.120 1.00 0.00 O ATOM 107 CB SER A 7 30.171 16.810 35.439 1.00 0.00 C ATOM 108 OG SER A 7 29.085 17.320 34.687 1.00 0.00 O ATOM 0 H SER A 7 31.775 18.709 34.368 1.00 0.00 H new ATOM 0 HA SER A 7 30.307 18.359 36.908 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.842 16.255 34.783 1.00 0.00 H new ATOM 0 HB3 SER A 7 29.801 16.107 36.185 1.00 0.00 H new ATOM 0 HG SER A 7 28.611 16.580 34.254 1.00 0.00 H new ATOM 114 N LYS A 8 32.167 17.161 38.115 1.00 0.00 N ATOM 115 CA LYS A 8 33.316 16.723 38.937 1.00 0.00 C ATOM 116 C LYS A 8 33.769 15.285 38.649 1.00 0.00 C ATOM 117 O LYS A 8 34.912 14.934 38.955 1.00 0.00 O ATOM 118 CB LYS A 8 32.996 16.913 40.433 1.00 0.00 C ATOM 119 CG LYS A 8 32.655 18.374 40.783 1.00 0.00 C ATOM 120 CD LYS A 8 32.389 18.595 42.280 1.00 0.00 C ATOM 121 CE LYS A 8 33.649 18.530 43.154 1.00 0.00 C ATOM 122 NZ LYS A 8 34.516 19.720 42.983 1.00 0.00 N ATOM 0 H LYS A 8 31.315 17.289 38.661 1.00 0.00 H new ATOM 0 HA LYS A 8 34.159 17.356 38.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 32.158 16.272 40.706 1.00 0.00 H new ATOM 0 HB3 LYS A 8 33.851 16.590 41.028 1.00 0.00 H new ATOM 0 HG2 LYS A 8 33.477 19.017 40.469 1.00 0.00 H new ATOM 0 HG3 LYS A 8 31.776 18.680 40.216 1.00 0.00 H new ATOM 0 HD2 LYS A 8 31.916 19.568 42.415 1.00 0.00 H new ATOM 0 HD3 LYS A 8 31.679 17.844 42.627 1.00 0.00 H new ATOM 0 HE2 LYS A 8 33.358 18.443 44.201 1.00 0.00 H new ATOM 0 HE3 LYS A 8 34.215 17.632 42.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 35.353 19.630 43.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 34.817 19.790 41.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 33.987 20.576 43.246 1.00 0.00 H new ATOM 136 N SER A 9 32.917 14.471 38.024 1.00 0.00 N ATOM 137 CA SER A 9 33.255 13.130 37.534 1.00 0.00 C ATOM 138 C SER A 9 34.072 13.159 36.234 1.00 0.00 C ATOM 139 O SER A 9 35.187 12.631 36.187 1.00 0.00 O ATOM 140 CB SER A 9 31.974 12.305 37.354 1.00 0.00 C ATOM 141 OG SER A 9 31.086 12.911 36.432 1.00 0.00 O ATOM 0 H SER A 9 31.948 14.731 37.839 1.00 0.00 H new ATOM 0 HA SER A 9 33.890 12.659 38.284 1.00 0.00 H new ATOM 0 HB2 SER A 9 32.231 11.304 37.007 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.476 12.191 38.317 1.00 0.00 H new ATOM 0 HG SER A 9 30.282 12.358 36.340 1.00 0.00 H new ATOM 147 N THR A 10 33.537 13.789 35.184 1.00 0.00 N ATOM 148 CA THR A 10 34.053 13.705 33.808 1.00 0.00 C ATOM 149 C THR A 10 35.121 14.742 33.467 1.00 0.00 C ATOM 150 O THR A 10 36.070 14.389 32.763 1.00 0.00 O ATOM 151 CB THR A 10 32.908 13.788 32.779 1.00 0.00 C ATOM 152 OG1 THR A 10 32.011 14.831 33.093 1.00 0.00 O ATOM 153 CG2 THR A 10 32.091 12.502 32.730 1.00 0.00 C ATOM 0 H THR A 10 32.714 14.386 35.265 1.00 0.00 H new ATOM 0 HA THR A 10 34.539 12.731 33.754 1.00 0.00 H new ATOM 0 HB THR A 10 33.389 13.966 31.817 1.00 0.00 H new ATOM 0 HG1 THR A 10 31.297 14.861 32.423 1.00 0.00 H new ATOM 0 HG21 THR A 10 31.295 12.604 31.992 1.00 0.00 H new ATOM 0 HG22 THR A 10 32.738 11.670 32.453 1.00 0.00 H new ATOM 0 HG23 THR A 10 31.654 12.311 33.710 1.00 0.00 H new ATOM 161 N GLY A 11 34.995 15.988 33.945 1.00 0.00 N ATOM 162 CA GLY A 11 35.887 17.122 33.644 1.00 0.00 C ATOM 163 C GLY A 11 35.836 17.601 32.185 1.00 0.00 C ATOM 164 O GLY A 11 35.467 18.740 31.904 1.00 0.00 O ATOM 0 H GLY A 11 34.238 16.246 34.578 1.00 0.00 H new ATOM 0 HA2 GLY A 11 35.627 17.956 34.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.911 16.836 33.884 1.00 0.00 H new ATOM 168 N CYS A 12 36.154 16.715 31.245 1.00 0.00 N ATOM 169 CA CYS A 12 36.004 16.930 29.808 1.00 0.00 C ATOM 170 C CYS A 12 34.525 17.108 29.411 1.00 0.00 C ATOM 171 O CYS A 12 33.622 16.611 30.100 1.00 0.00 O ATOM 172 CB CYS A 12 36.648 15.755 29.057 1.00 0.00 C ATOM 173 SG CYS A 12 38.356 15.386 29.545 1.00 0.00 S ATOM 0 H CYS A 12 36.536 15.796 31.470 1.00 0.00 H new ATOM 0 HA CYS A 12 36.512 17.854 29.533 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.040 14.864 29.214 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.628 15.970 27.989 1.00 0.00 H new ATOM 178 N LYS A 13 34.269 17.785 28.284 1.00 0.00 N ATOM 179 CA LYS A 13 32.918 18.050 27.752 1.00 0.00 C ATOM 180 C LYS A 13 32.827 17.894 26.229 1.00 0.00 C ATOM 181 O LYS A 13 33.840 17.863 25.524 1.00 0.00 O ATOM 182 CB LYS A 13 32.453 19.461 28.161 1.00 0.00 C ATOM 183 CG LYS A 13 32.263 19.633 29.676 1.00 0.00 C ATOM 184 CD LYS A 13 31.441 20.878 30.035 1.00 0.00 C ATOM 185 CE LYS A 13 31.929 22.159 29.347 1.00 0.00 C ATOM 186 NZ LYS A 13 31.099 23.316 29.743 1.00 0.00 N ATOM 0 H LYS A 13 35.010 18.174 27.701 1.00 0.00 H new ATOM 0 HA LYS A 13 32.261 17.297 28.188 1.00 0.00 H new ATOM 0 HB2 LYS A 13 33.183 20.191 27.810 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.512 19.684 27.658 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.769 18.749 30.078 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.240 19.698 30.155 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.399 20.705 29.764 1.00 0.00 H new ATOM 0 HD3 LYS A 13 31.470 21.023 31.115 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.970 22.345 29.611 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.892 22.033 28.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.322 24.128 29.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.093 23.072 29.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.298 23.563 30.734 1.00 0.00 H new ATOM 200 N TYR A 14 31.584 17.857 25.745 1.00 0.00 N ATOM 201 CA TYR A 14 31.211 17.893 24.333 1.00 0.00 C ATOM 202 C TYR A 14 31.724 19.186 23.695 1.00 0.00 C ATOM 203 O TYR A 14 31.522 20.272 24.249 1.00 0.00 O ATOM 204 CB TYR A 14 29.677 17.782 24.234 1.00 0.00 C ATOM 205 CG TYR A 14 29.067 18.122 22.883 1.00 0.00 C ATOM 206 CD1 TYR A 14 28.731 19.458 22.586 1.00 0.00 C ATOM 207 CD2 TYR A 14 28.799 17.109 21.941 1.00 0.00 C ATOM 208 CE1 TYR A 14 28.142 19.786 21.350 1.00 0.00 C ATOM 209 CE2 TYR A 14 28.207 17.432 20.704 1.00 0.00 C ATOM 210 CZ TYR A 14 27.872 18.774 20.406 1.00 0.00 C ATOM 211 OH TYR A 14 27.275 19.090 19.225 1.00 0.00 O ATOM 0 H TYR A 14 30.772 17.798 26.359 1.00 0.00 H new ATOM 0 HA TYR A 14 31.661 17.060 23.793 1.00 0.00 H new ATOM 0 HB2 TYR A 14 29.389 16.763 24.494 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.236 18.439 24.984 1.00 0.00 H new ATOM 0 HD1 TYR A 14 28.926 20.235 23.311 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.048 16.083 22.168 1.00 0.00 H new ATOM 0 HE1 TYR A 14 27.897 20.813 21.125 1.00 0.00 H new ATOM 0 HE2 TYR A 14 28.009 16.654 19.982 1.00 0.00 H new ATOM 0 HH TYR A 14 27.161 18.278 18.688 1.00 0.00 H new ATOM 221 N GLU A 15 32.363 19.070 22.529 1.00 0.00 N ATOM 222 CA GLU A 15 32.800 20.228 21.750 1.00 0.00 C ATOM 223 C GLU A 15 31.798 20.608 20.653 1.00 0.00 C ATOM 224 O GLU A 15 31.114 19.761 20.075 1.00 0.00 O ATOM 225 CB GLU A 15 34.221 20.049 21.196 1.00 0.00 C ATOM 226 CG GLU A 15 34.367 18.910 20.179 1.00 0.00 C ATOM 227 CD GLU A 15 35.515 19.216 19.224 1.00 0.00 C ATOM 228 OE1 GLU A 15 35.283 19.900 18.197 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.666 18.801 19.494 1.00 0.00 O ATOM 0 H GLU A 15 32.591 18.173 22.100 1.00 0.00 H new ATOM 0 HA GLU A 15 32.834 21.069 22.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.535 20.981 20.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 34.902 19.866 22.028 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.553 17.969 20.697 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.439 18.788 19.620 1.00 0.00 H new ATOM 236 N CYS A 16 31.723 21.896 20.341 1.00 0.00 N ATOM 237 CA CYS A 16 30.693 22.447 19.474 1.00 0.00 C ATOM 238 C CYS A 16 30.995 22.324 17.968 1.00 0.00 C ATOM 239 O CYS A 16 32.141 22.133 17.540 1.00 0.00 O ATOM 240 CB CYS A 16 30.432 23.889 19.908 1.00 0.00 C ATOM 241 SG CYS A 16 31.782 25.055 19.603 1.00 0.00 S ATOM 0 H CYS A 16 32.383 22.593 20.687 1.00 0.00 H new ATOM 0 HA CYS A 16 29.789 21.849 19.594 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.542 24.249 19.392 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.206 23.893 20.974 1.00 0.00 H new ATOM 246 N LEU A 17 29.933 22.469 17.171 1.00 0.00 N ATOM 247 CA LEU A 17 29.940 22.538 15.701 1.00 0.00 C ATOM 248 C LEU A 17 29.729 23.972 15.162 1.00 0.00 C ATOM 249 O LEU A 17 29.783 24.185 13.949 1.00 0.00 O ATOM 250 CB LEU A 17 28.858 21.568 15.179 1.00 0.00 C ATOM 251 CG LEU A 17 29.127 20.079 15.485 1.00 0.00 C ATOM 252 CD1 LEU A 17 27.877 19.245 15.215 1.00 0.00 C ATOM 253 CD2 LEU A 17 30.254 19.522 14.615 1.00 0.00 C ATOM 0 H LEU A 17 28.990 22.546 17.553 1.00 0.00 H new ATOM 0 HA LEU A 17 30.924 22.243 15.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.898 21.847 15.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.767 21.693 14.100 1.00 0.00 H new ATOM 0 HG LEU A 17 29.412 20.019 16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.084 18.198 15.436 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.062 19.595 15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.592 19.346 14.168 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.416 18.472 14.858 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.981 19.614 13.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 31.170 20.083 14.803 1.00 0.00 H new ATOM 265 N LYS A 18 29.492 24.943 16.056 1.00 0.00 N ATOM 266 CA LYS A 18 29.317 26.381 15.784 1.00 0.00 C ATOM 267 C LYS A 18 29.760 27.201 17.001 1.00 0.00 C ATOM 268 O LYS A 18 29.343 26.883 18.115 1.00 0.00 O ATOM 269 CB LYS A 18 27.838 26.650 15.438 1.00 0.00 C ATOM 270 CG LYS A 18 27.547 28.121 15.097 1.00 0.00 C ATOM 271 CD LYS A 18 26.065 28.321 14.742 1.00 0.00 C ATOM 272 CE LYS A 18 25.734 29.772 14.364 1.00 0.00 C ATOM 273 NZ LYS A 18 25.956 30.715 15.487 1.00 0.00 N ATOM 0 H LYS A 18 29.412 24.734 17.051 1.00 0.00 H new ATOM 0 HA LYS A 18 29.935 26.680 14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.551 26.025 14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.215 26.350 16.281 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.810 28.754 15.945 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.171 28.434 14.260 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.803 27.665 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.449 28.022 15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.348 30.072 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.694 29.832 14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.608 31.659 15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.443 30.380 16.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.973 30.768 15.700 1.00 0.00 H new ATOM 287 N LEU A 19 30.564 28.246 16.786 1.00 0.00 N ATOM 288 CA LEU A 19 31.008 29.200 17.814 1.00 0.00 C ATOM 289 C LEU A 19 29.979 30.323 18.036 1.00 0.00 C ATOM 290 O LEU A 19 29.210 30.663 17.131 1.00 0.00 O ATOM 291 CB LEU A 19 32.395 29.772 17.452 1.00 0.00 C ATOM 292 CG LEU A 19 33.565 28.775 17.564 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.853 29.414 17.045 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.829 28.350 19.010 1.00 0.00 C ATOM 0 H LEU A 19 30.938 28.461 15.862 1.00 0.00 H new ATOM 0 HA LEU A 19 31.094 28.660 18.757 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.359 30.152 16.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.600 30.623 18.101 1.00 0.00 H new ATOM 0 HG LEU A 19 33.282 27.903 16.974 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.673 28.700 17.129 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.724 29.697 16.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.082 30.301 17.635 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.662 27.648 19.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.075 29.227 19.608 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.938 27.872 19.417 1.00 0.00 H new ATOM 306 N GLY A 20 29.982 30.918 19.233 1.00 0.00 N ATOM 307 CA GLY A 20 28.942 31.862 19.659 1.00 0.00 C ATOM 308 C GLY A 20 27.629 31.137 19.970 1.00 0.00 C ATOM 309 O GLY A 20 27.652 30.042 20.539 1.00 0.00 O ATOM 0 H GLY A 20 30.705 30.759 19.935 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.279 32.404 20.542 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.775 32.601 18.876 1.00 0.00 H new ATOM 313 N ASP A 21 26.491 31.732 19.606 1.00 0.00 N ATOM 314 CA ASP A 21 25.166 31.123 19.786 1.00 0.00 C ATOM 315 C ASP A 21 25.084 29.734 19.124 1.00 0.00 C ATOM 316 O ASP A 21 25.315 29.593 17.922 1.00 0.00 O ATOM 317 CB ASP A 21 24.081 32.060 19.232 1.00 0.00 C ATOM 318 CG ASP A 21 22.678 31.464 19.379 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.374 30.882 20.451 1.00 0.00 O ATOM 320 OD2 ASP A 21 21.858 31.596 18.437 1.00 0.00 O ATOM 0 H ASP A 21 26.460 32.656 19.175 1.00 0.00 H new ATOM 0 HA ASP A 21 24.999 30.979 20.854 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.126 33.015 19.755 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.280 32.263 18.180 1.00 0.00 H new ATOM 325 N ASN A 22 24.761 28.713 19.920 1.00 0.00 N ATOM 326 CA ASN A 22 24.890 27.299 19.569 1.00 0.00 C ATOM 327 C ASN A 22 23.684 26.497 20.097 1.00 0.00 C ATOM 328 O ASN A 22 23.212 26.759 21.209 1.00 0.00 O ATOM 329 CB ASN A 22 26.227 26.821 20.162 1.00 0.00 C ATOM 330 CG ASN A 22 26.439 25.336 19.982 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.918 24.530 20.732 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.186 24.935 18.986 1.00 0.00 N ATOM 0 H ASN A 22 24.389 28.854 20.859 1.00 0.00 H new ATOM 0 HA ASN A 22 24.892 27.147 18.490 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.046 27.362 19.688 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.258 27.063 21.224 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.337 23.938 18.831 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.617 25.619 18.364 1.00 0.00 H new ATOM 339 N ASP A 23 23.171 25.541 19.316 1.00 0.00 N ATOM 340 CA ASP A 23 21.944 24.797 19.647 1.00 0.00 C ATOM 341 C ASP A 23 22.126 23.845 20.842 1.00 0.00 C ATOM 342 O ASP A 23 21.259 23.796 21.715 1.00 0.00 O ATOM 343 CB ASP A 23 21.455 24.049 18.396 1.00 0.00 C ATOM 344 CG ASP A 23 20.154 23.275 18.630 1.00 0.00 C ATOM 345 OD1 ASP A 23 19.068 23.904 18.683 1.00 0.00 O ATOM 346 OD2 ASP A 23 20.202 22.024 18.707 1.00 0.00 O ATOM 0 H ASP A 23 23.594 25.258 18.432 1.00 0.00 H new ATOM 0 HA ASP A 23 21.186 25.515 19.960 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.305 24.764 17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.230 23.356 18.068 1.00 0.00 H new ATOM 351 N TYR A 24 23.261 23.140 20.931 1.00 0.00 N ATOM 352 CA TYR A 24 23.580 22.277 22.074 1.00 0.00 C ATOM 353 C TYR A 24 23.745 23.094 23.366 1.00 0.00 C ATOM 354 O TYR A 24 23.120 22.778 24.382 1.00 0.00 O ATOM 355 CB TYR A 24 24.833 21.436 21.769 1.00 0.00 C ATOM 356 CG TYR A 24 25.136 20.387 22.828 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.672 20.775 24.073 1.00 0.00 C ATOM 358 CD2 TYR A 24 24.865 19.027 22.579 1.00 0.00 C ATOM 359 CE1 TYR A 24 25.869 19.825 25.089 1.00 0.00 C ATOM 360 CE2 TYR A 24 25.100 18.064 23.580 1.00 0.00 C ATOM 361 CZ TYR A 24 25.577 18.469 24.844 1.00 0.00 C ATOM 362 OH TYR A 24 25.711 17.566 25.846 1.00 0.00 O ATOM 0 H TYR A 24 23.984 23.152 20.212 1.00 0.00 H new ATOM 0 HA TYR A 24 22.744 21.596 22.236 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.703 20.941 20.807 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.691 22.101 21.672 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.933 21.809 24.247 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.476 18.722 21.619 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.243 20.133 26.054 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.915 17.019 23.380 1.00 0.00 H new ATOM 0 HH TYR A 24 25.812 18.037 26.699 1.00 0.00 H new ATOM 372 N CYS A 25 24.556 24.161 23.328 1.00 0.00 N ATOM 373 CA CYS A 25 24.860 24.976 24.510 1.00 0.00 C ATOM 374 C CYS A 25 23.627 25.707 25.065 1.00 0.00 C ATOM 375 O CYS A 25 23.538 25.919 26.272 1.00 0.00 O ATOM 376 CB CYS A 25 25.974 25.984 24.196 1.00 0.00 C ATOM 377 SG CYS A 25 27.556 25.309 23.614 1.00 0.00 S ATOM 0 H CYS A 25 25.019 24.482 22.477 1.00 0.00 H new ATOM 0 HA CYS A 25 25.198 24.287 25.284 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.602 26.675 23.440 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.166 26.569 25.096 1.00 0.00 H new ATOM 382 N LEU A 26 22.654 26.052 24.213 1.00 0.00 N ATOM 383 CA LEU A 26 21.343 26.513 24.668 1.00 0.00 C ATOM 384 C LEU A 26 20.555 25.357 25.295 1.00 0.00 C ATOM 385 O LEU A 26 20.150 25.454 26.455 1.00 0.00 O ATOM 386 CB LEU A 26 20.621 27.199 23.490 1.00 0.00 C ATOM 387 CG LEU A 26 19.239 27.844 23.742 1.00 0.00 C ATOM 388 CD1 LEU A 26 18.088 26.840 23.844 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.218 28.729 24.989 1.00 0.00 C ATOM 0 H LEU A 26 22.754 26.019 23.198 1.00 0.00 H new ATOM 0 HA LEU A 26 21.445 27.255 25.460 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.282 27.974 23.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.501 26.459 22.699 1.00 0.00 H new ATOM 0 HG LEU A 26 19.080 28.455 22.853 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.154 27.374 24.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.013 26.277 22.914 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.276 26.154 24.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.223 29.155 25.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.471 28.131 25.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.945 29.533 24.877 1.00 0.00 H new ATOM 401 N ARG A 27 20.335 24.262 24.553 1.00 0.00 N ATOM 402 CA ARG A 27 19.313 23.274 24.926 1.00 0.00 C ATOM 403 C ARG A 27 19.666 22.434 26.150 1.00 0.00 C ATOM 404 O ARG A 27 18.773 22.211 26.965 1.00 0.00 O ATOM 405 CB ARG A 27 18.877 22.451 23.701 1.00 0.00 C ATOM 406 CG ARG A 27 19.822 21.306 23.316 1.00 0.00 C ATOM 407 CD ARG A 27 19.447 20.747 21.939 1.00 0.00 C ATOM 408 NE ARG A 27 20.135 19.469 21.679 1.00 0.00 N ATOM 409 CZ ARG A 27 21.168 19.258 20.884 1.00 0.00 C ATOM 410 NH1 ARG A 27 21.676 20.161 20.108 1.00 0.00 N ATOM 411 NH2 ARG A 27 21.742 18.097 20.828 1.00 0.00 N ATOM 0 H ARG A 27 20.846 24.039 23.699 1.00 0.00 H new ATOM 0 HA ARG A 27 18.440 23.834 25.262 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.888 22.035 23.895 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.779 23.122 22.848 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.851 21.664 23.303 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.769 20.515 24.064 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.368 20.600 21.884 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.710 21.469 21.166 1.00 0.00 H new ATOM 0 HE ARG A 27 19.771 18.653 22.170 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.277 21.099 20.088 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.476 19.934 19.517 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.397 17.329 21.404 1.00 0.00 H new ATOM 0 HH22 ARG A 27 22.539 17.951 20.208 1.00 0.00 H new ATOM 425 N GLU A 28 20.914 21.983 26.332 1.00 0.00 N ATOM 426 CA GLU A 28 21.248 21.156 27.509 1.00 0.00 C ATOM 427 C GLU A 28 21.239 21.994 28.798 1.00 0.00 C ATOM 428 O GLU A 28 20.619 21.588 29.781 1.00 0.00 O ATOM 429 CB GLU A 28 22.556 20.358 27.316 1.00 0.00 C ATOM 430 CG GLU A 28 22.703 19.297 28.428 1.00 0.00 C ATOM 431 CD GLU A 28 23.900 18.351 28.254 1.00 0.00 C ATOM 432 OE1 GLU A 28 25.057 18.816 28.138 1.00 0.00 O ATOM 433 OE2 GLU A 28 23.734 17.106 28.319 1.00 0.00 O ATOM 0 H GLU A 28 21.694 22.168 25.701 1.00 0.00 H new ATOM 0 HA GLU A 28 20.464 20.406 27.616 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.554 19.874 26.339 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.410 21.035 27.335 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.795 19.806 29.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 21.790 18.703 28.468 1.00 0.00 H new ATOM 440 N CYS A 29 21.816 23.203 28.783 1.00 0.00 N ATOM 441 CA CYS A 29 21.743 24.119 29.923 1.00 0.00 C ATOM 442 C CYS A 29 20.294 24.512 30.262 1.00 0.00 C ATOM 443 O CYS A 29 19.895 24.380 31.420 1.00 0.00 O ATOM 444 CB CYS A 29 22.651 25.333 29.670 1.00 0.00 C ATOM 445 SG CYS A 29 24.412 24.933 29.863 1.00 0.00 S ATOM 0 H CYS A 29 22.341 23.568 27.988 1.00 0.00 H new ATOM 0 HA CYS A 29 22.112 23.604 30.810 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.475 25.711 28.663 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.385 26.133 30.361 1.00 0.00 H new ATOM 450 N LYS A 30 19.462 24.883 29.274 1.00 0.00 N ATOM 451 CA LYS A 30 18.058 25.272 29.512 1.00 0.00 C ATOM 452 C LYS A 30 17.198 24.131 30.076 1.00 0.00 C ATOM 453 O LYS A 30 16.343 24.369 30.930 1.00 0.00 O ATOM 454 CB LYS A 30 17.469 25.871 28.224 1.00 0.00 C ATOM 455 CG LYS A 30 16.198 26.689 28.506 1.00 0.00 C ATOM 456 CD LYS A 30 15.534 27.212 27.226 1.00 0.00 C ATOM 457 CE LYS A 30 14.903 26.090 26.391 1.00 0.00 C ATOM 458 NZ LYS A 30 13.703 25.508 27.033 1.00 0.00 N ATOM 0 H LYS A 30 19.740 24.922 28.293 1.00 0.00 H new ATOM 0 HA LYS A 30 18.048 26.033 30.292 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.213 26.508 27.746 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.238 25.069 27.523 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.486 26.070 29.053 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.449 27.531 29.151 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.767 27.940 27.490 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.276 27.736 26.623 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.632 26.481 25.410 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.641 25.304 26.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.248 24.840 26.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.982 25.006 27.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.034 26.268 27.272 1.00 0.00 H new ATOM 472 N GLN A 31 17.442 22.882 29.665 1.00 0.00 N ATOM 473 CA GLN A 31 16.766 21.701 30.231 1.00 0.00 C ATOM 474 C GLN A 31 17.172 21.401 31.685 1.00 0.00 C ATOM 475 O GLN A 31 16.395 20.772 32.411 1.00 0.00 O ATOM 476 CB GLN A 31 17.047 20.471 29.351 1.00 0.00 C ATOM 477 CG GLN A 31 16.164 20.453 28.097 1.00 0.00 C ATOM 478 CD GLN A 31 16.633 19.406 27.096 1.00 0.00 C ATOM 479 OE1 GLN A 31 16.190 18.263 27.075 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.569 19.752 26.251 1.00 0.00 N ATOM 0 H GLN A 31 18.113 22.657 28.931 1.00 0.00 H new ATOM 0 HA GLN A 31 15.700 21.929 30.244 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.096 20.467 29.056 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.875 19.563 29.930 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.132 20.249 28.381 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.177 21.437 27.628 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.942 20.701 26.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.926 19.073 25.579 1.00 0.00 H new ATOM 489 N GLN A 32 18.361 21.841 32.113 1.00 0.00 N ATOM 490 CA GLN A 32 18.962 21.502 33.411 1.00 0.00 C ATOM 491 C GLN A 32 18.986 22.666 34.423 1.00 0.00 C ATOM 492 O GLN A 32 19.180 22.410 35.614 1.00 0.00 O ATOM 493 CB GLN A 32 20.366 20.921 33.170 1.00 0.00 C ATOM 494 CG GLN A 32 20.313 19.576 32.414 1.00 0.00 C ATOM 495 CD GLN A 32 21.681 18.945 32.161 1.00 0.00 C ATOM 496 OE1 GLN A 32 22.729 19.429 32.581 1.00 0.00 O ATOM 497 NE2 GLN A 32 21.719 17.817 31.483 1.00 0.00 N ATOM 0 H GLN A 32 18.948 22.459 31.553 1.00 0.00 H new ATOM 0 HA GLN A 32 18.323 20.755 33.883 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.961 21.634 32.599 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.869 20.780 34.127 1.00 0.00 H new ATOM 0 HG2 GLN A 32 19.702 18.876 32.984 1.00 0.00 H new ATOM 0 HG3 GLN A 32 19.814 19.729 31.457 1.00 0.00 H new ATOM 0 HE21 GLN A 32 20.855 17.405 31.129 1.00 0.00 H new ATOM 0 HE22 GLN A 32 22.612 17.355 31.312 1.00 0.00 H new ATOM 506 N TYR A 33 18.758 23.913 33.993 1.00 0.00 N ATOM 507 CA TYR A 33 18.771 25.121 34.843 1.00 0.00 C ATOM 508 C TYR A 33 17.604 26.105 34.568 1.00 0.00 C ATOM 509 O TYR A 33 17.644 27.264 34.991 1.00 0.00 O ATOM 510 CB TYR A 33 20.153 25.792 34.751 1.00 0.00 C ATOM 511 CG TYR A 33 21.304 24.927 35.242 1.00 0.00 C ATOM 512 CD1 TYR A 33 21.595 24.861 36.618 1.00 0.00 C ATOM 513 CD2 TYR A 33 22.073 24.180 34.327 1.00 0.00 C ATOM 514 CE1 TYR A 33 22.669 24.072 37.077 1.00 0.00 C ATOM 515 CE2 TYR A 33 23.144 23.383 34.782 1.00 0.00 C ATOM 516 CZ TYR A 33 23.451 23.338 36.160 1.00 0.00 C ATOM 517 OH TYR A 33 24.483 22.574 36.609 1.00 0.00 O ATOM 0 H TYR A 33 18.553 24.121 33.016 1.00 0.00 H new ATOM 0 HA TYR A 33 18.598 24.802 35.871 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.340 26.070 33.714 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.135 26.715 35.331 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.994 25.416 37.323 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.841 24.218 33.273 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.894 24.029 38.132 1.00 0.00 H new ATOM 0 HE2 TYR A 33 23.728 22.808 34.078 1.00 0.00 H new ATOM 0 HH TYR A 33 24.918 22.133 35.850 1.00 0.00 H new ATOM 527 N GLY A 34 16.544 25.645 33.891 1.00 0.00 N ATOM 528 CA GLY A 34 15.275 26.368 33.715 1.00 0.00 C ATOM 529 C GLY A 34 15.207 27.286 32.486 1.00 0.00 C ATOM 530 O GLY A 34 16.229 27.646 31.893 1.00 0.00 O ATOM 0 H GLY A 34 16.544 24.732 33.436 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.467 25.639 33.649 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.091 26.968 34.606 1.00 0.00 H new ATOM 534 N LYS A 35 13.986 27.679 32.094 1.00 0.00 N ATOM 535 CA LYS A 35 13.664 28.317 30.802 1.00 0.00 C ATOM 536 C LYS A 35 14.313 29.689 30.554 1.00 0.00 C ATOM 537 O LYS A 35 14.381 30.121 29.403 1.00 0.00 O ATOM 538 CB LYS A 35 12.132 28.348 30.602 1.00 0.00 C ATOM 539 CG LYS A 35 11.406 29.376 31.490 1.00 0.00 C ATOM 540 CD LYS A 35 9.877 29.381 31.311 1.00 0.00 C ATOM 541 CE LYS A 35 9.139 28.180 31.925 1.00 0.00 C ATOM 542 NZ LYS A 35 9.254 28.157 33.401 1.00 0.00 N ATOM 0 H LYS A 35 13.164 27.559 32.686 1.00 0.00 H new ATOM 0 HA LYS A 35 14.123 27.689 30.038 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.917 28.569 29.557 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.729 27.356 30.807 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.640 29.169 32.534 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.792 30.371 31.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.479 30.295 31.752 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.653 29.418 30.245 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.087 28.218 31.643 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.546 27.256 31.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.635 27.415 33.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.239 27.959 33.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.969 29.080 33.786 1.00 0.00 H new ATOM 556 N SER A 36 14.820 30.369 31.584 1.00 0.00 N ATOM 557 CA SER A 36 15.572 31.632 31.461 1.00 0.00 C ATOM 558 C SER A 36 17.099 31.446 31.387 1.00 0.00 C ATOM 559 O SER A 36 17.819 32.437 31.267 1.00 0.00 O ATOM 560 CB SER A 36 15.222 32.578 32.612 1.00 0.00 C ATOM 561 OG SER A 36 13.827 32.838 32.673 1.00 0.00 O ATOM 0 H SER A 36 14.721 30.056 32.550 1.00 0.00 H new ATOM 0 HA SER A 36 15.266 32.066 30.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.552 32.142 33.555 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.762 33.517 32.488 1.00 0.00 H new ATOM 0 HG SER A 36 13.640 33.444 33.420 1.00 0.00 H new ATOM 567 N SER A 37 17.601 30.208 31.451 1.00 0.00 N ATOM 568 CA SER A 37 19.021 29.871 31.259 1.00 0.00 C ATOM 569 C SER A 37 19.328 29.438 29.821 1.00 0.00 C ATOM 570 O SER A 37 18.427 29.106 29.048 1.00 0.00 O ATOM 571 CB SER A 37 19.478 28.820 32.279 1.00 0.00 C ATOM 572 OG SER A 37 18.915 27.556 32.005 1.00 0.00 O ATOM 0 H SER A 37 17.020 29.392 31.642 1.00 0.00 H new ATOM 0 HA SER A 37 19.595 30.780 31.435 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.565 28.746 32.265 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.193 29.137 33.282 1.00 0.00 H new ATOM 0 HG SER A 37 17.956 27.574 32.207 1.00 0.00 H new ATOM 578 N GLY A 38 20.604 29.463 29.442 1.00 0.00 N ATOM 579 CA GLY A 38 21.074 29.119 28.098 1.00 0.00 C ATOM 580 C GLY A 38 22.593 29.220 27.998 1.00 0.00 C ATOM 581 O GLY A 38 23.256 29.422 29.017 1.00 0.00 O ATOM 0 H GLY A 38 21.359 29.729 30.074 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.758 28.106 27.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.614 29.786 27.368 1.00 0.00 H new ATOM 585 N GLY A 39 23.154 29.094 26.793 1.00 0.00 N ATOM 586 CA GLY A 39 24.604 29.143 26.611 1.00 0.00 C ATOM 587 C GLY A 39 25.102 29.282 25.175 1.00 0.00 C ATOM 588 O GLY A 39 24.347 29.177 24.203 1.00 0.00 O ATOM 0 H GLY A 39 22.626 28.958 25.931 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.993 29.980 27.190 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.033 28.235 27.035 1.00 0.00 H new ATOM 592 N TYR A 40 26.408 29.508 25.065 1.00 0.00 N ATOM 593 CA TYR A 40 27.157 29.749 23.832 1.00 0.00 C ATOM 594 C TYR A 40 28.494 28.986 23.847 1.00 0.00 C ATOM 595 O TYR A 40 29.002 28.631 24.911 1.00 0.00 O ATOM 596 CB TYR A 40 27.348 31.266 23.644 1.00 0.00 C ATOM 597 CG TYR A 40 28.132 31.997 24.724 1.00 0.00 C ATOM 598 CD1 TYR A 40 29.532 32.112 24.615 1.00 0.00 C ATOM 599 CD2 TYR A 40 27.458 32.639 25.784 1.00 0.00 C ATOM 600 CE1 TYR A 40 30.254 32.877 25.551 1.00 0.00 C ATOM 601 CE2 TYR A 40 28.179 33.403 26.724 1.00 0.00 C ATOM 602 CZ TYR A 40 29.579 33.533 26.604 1.00 0.00 C ATOM 603 OH TYR A 40 30.264 34.341 27.457 1.00 0.00 O ATOM 0 H TYR A 40 27.012 29.529 25.887 1.00 0.00 H new ATOM 0 HA TYR A 40 26.596 29.370 22.978 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.850 31.430 22.690 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.363 31.726 23.569 1.00 0.00 H new ATOM 0 HD1 TYR A 40 30.053 31.612 23.812 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.386 32.545 25.876 1.00 0.00 H new ATOM 0 HE1 TYR A 40 31.327 32.962 25.463 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.660 33.889 27.537 1.00 0.00 H new ATOM 0 HH TYR A 40 29.647 34.713 28.121 1.00 0.00 H new ATOM 613 N CYS A 41 29.077 28.707 22.679 1.00 0.00 N ATOM 614 CA CYS A 41 30.360 28.003 22.603 1.00 0.00 C ATOM 615 C CYS A 41 31.550 28.975 22.695 1.00 0.00 C ATOM 616 O CYS A 41 31.667 29.913 21.897 1.00 0.00 O ATOM 617 CB CYS A 41 30.418 27.117 21.362 1.00 0.00 C ATOM 618 SG CYS A 41 31.887 26.061 21.362 1.00 0.00 S ATOM 0 H CYS A 41 28.681 28.958 21.773 1.00 0.00 H new ATOM 0 HA CYS A 41 30.440 27.347 23.470 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.523 26.496 21.316 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.419 27.742 20.469 1.00 0.00 H new ATOM 623 N TYR A 42 32.435 28.738 23.668 1.00 0.00 N ATOM 624 CA TYR A 42 33.468 29.682 24.105 1.00 0.00 C ATOM 625 C TYR A 42 34.723 29.669 23.215 1.00 0.00 C ATOM 626 O TYR A 42 35.044 30.675 22.576 1.00 0.00 O ATOM 627 CB TYR A 42 33.789 29.392 25.580 1.00 0.00 C ATOM 628 CG TYR A 42 34.729 30.403 26.198 1.00 0.00 C ATOM 629 CD1 TYR A 42 34.206 31.583 26.761 1.00 0.00 C ATOM 630 CD2 TYR A 42 36.121 30.181 26.185 1.00 0.00 C ATOM 631 CE1 TYR A 42 35.073 32.550 27.299 1.00 0.00 C ATOM 632 CE2 TYR A 42 36.991 31.151 26.719 1.00 0.00 C ATOM 633 CZ TYR A 42 36.465 32.337 27.273 1.00 0.00 C ATOM 634 OH TYR A 42 37.305 33.278 27.770 1.00 0.00 O ATOM 0 H TYR A 42 32.453 27.860 24.187 1.00 0.00 H new ATOM 0 HA TYR A 42 33.082 30.696 24.005 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.860 29.374 26.150 1.00 0.00 H new ATOM 0 HB3 TYR A 42 34.231 28.399 25.660 1.00 0.00 H new ATOM 0 HD1 TYR A 42 33.138 31.745 26.779 1.00 0.00 H new ATOM 0 HD2 TYR A 42 36.519 29.269 25.766 1.00 0.00 H new ATOM 0 HE1 TYR A 42 34.672 33.455 27.732 1.00 0.00 H new ATOM 0 HE2 TYR A 42 38.058 30.987 26.704 1.00 0.00 H new ATOM 0 HH TYR A 42 38.231 32.972 27.675 1.00 0.00 H new ATOM 644 N ALA A 43 35.405 28.522 23.133 1.00 0.00 N ATOM 645 CA ALA A 43 36.551 28.278 22.243 1.00 0.00 C ATOM 646 C ALA A 43 36.513 26.867 21.619 1.00 0.00 C ATOM 647 O ALA A 43 36.895 26.678 20.460 1.00 0.00 O ATOM 648 CB ALA A 43 37.844 28.499 23.043 1.00 0.00 C ATOM 0 H ALA A 43 35.169 27.709 23.702 1.00 0.00 H new ATOM 0 HA ALA A 43 36.507 28.978 21.408 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.705 28.322 22.399 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.872 29.524 23.413 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.873 27.808 23.885 1.00 0.00 H new ATOM 654 N PHE A 44 36.004 25.889 22.371 1.00 0.00 N ATOM 655 CA PHE A 44 35.659 24.545 21.890 1.00 0.00 C ATOM 656 C PHE A 44 34.400 23.976 22.566 1.00 0.00 C ATOM 657 O PHE A 44 33.686 23.215 21.926 1.00 0.00 O ATOM 658 CB PHE A 44 36.862 23.603 22.076 1.00 0.00 C ATOM 659 CG PHE A 44 37.401 23.551 23.495 1.00 0.00 C ATOM 660 CD1 PHE A 44 36.845 22.667 24.437 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.434 24.424 23.885 1.00 0.00 C ATOM 662 CE1 PHE A 44 37.277 22.696 25.775 1.00 0.00 C ATOM 663 CE2 PHE A 44 38.880 24.438 25.215 1.00 0.00 C ATOM 664 CZ PHE A 44 38.287 23.591 26.166 1.00 0.00 C ATOM 0 H PHE A 44 35.813 26.013 23.365 1.00 0.00 H new ATOM 0 HA PHE A 44 35.422 24.625 20.829 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.571 22.597 21.773 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.663 23.918 21.407 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.084 21.964 24.132 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.884 25.084 23.159 1.00 0.00 H new ATOM 0 HE1 PHE A 44 36.833 22.031 26.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 39.681 25.101 25.508 1.00 0.00 H new ATOM 0 HZ PHE A 44 38.607 23.628 27.197 1.00 0.00 H new ATOM 674 N ALA A 45 34.093 24.354 23.814 1.00 0.00 N ATOM 675 CA ALA A 45 32.980 23.821 24.608 1.00 0.00 C ATOM 676 C ALA A 45 32.071 24.935 25.176 1.00 0.00 C ATOM 677 O ALA A 45 32.340 26.129 24.995 1.00 0.00 O ATOM 678 CB ALA A 45 33.586 22.928 25.698 1.00 0.00 C ATOM 0 H ALA A 45 34.630 25.062 24.314 1.00 0.00 H new ATOM 0 HA ALA A 45 32.315 23.231 23.977 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.788 22.511 26.312 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.148 22.117 25.234 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.254 23.520 26.324 1.00 0.00 H new ATOM 684 N CYS A 46 30.968 24.553 25.827 1.00 0.00 N ATOM 685 CA CYS A 46 29.912 25.483 26.233 1.00 0.00 C ATOM 686 C CYS A 46 30.228 26.320 27.492 1.00 0.00 C ATOM 687 O CYS A 46 30.736 25.802 28.491 1.00 0.00 O ATOM 688 CB CYS A 46 28.620 24.683 26.420 1.00 0.00 C ATOM 689 SG CYS A 46 28.004 23.828 24.942 1.00 0.00 S ATOM 0 H CYS A 46 30.782 23.585 26.088 1.00 0.00 H new ATOM 0 HA CYS A 46 29.814 26.223 25.439 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.782 23.943 27.204 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.843 25.360 26.776 1.00 0.00 H new ATOM 694 N TRP A 47 29.828 27.595 27.459 1.00 0.00 N ATOM 695 CA TRP A 47 29.631 28.510 28.594 1.00 0.00 C ATOM 696 C TRP A 47 28.126 28.774 28.747 1.00 0.00 C ATOM 697 O TRP A 47 27.444 28.927 27.731 1.00 0.00 O ATOM 698 CB TRP A 47 30.385 29.822 28.310 1.00 0.00 C ATOM 699 CG TRP A 47 30.258 30.923 29.327 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.156 31.678 29.554 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.286 31.460 30.217 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.413 32.607 30.545 1.00 0.00 N ATOM 703 CE2 TRP A 47 30.713 32.518 30.988 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.649 31.171 30.440 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.444 33.231 31.948 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.394 31.886 31.397 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.795 32.907 32.156 1.00 0.00 C ATOM 0 H TRP A 47 29.617 28.052 26.572 1.00 0.00 H new ATOM 0 HA TRP A 47 30.015 28.076 29.517 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.443 29.586 28.198 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.042 30.208 27.350 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.214 31.570 29.036 1.00 0.00 H new ATOM 0 HE1 TRP A 47 28.727 33.273 30.902 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.128 30.390 29.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 30.975 34.018 32.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.436 31.648 31.550 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.372 33.441 32.897 1.00 0.00 H new ATOM 718 N CYS A 48 27.597 28.857 29.974 1.00 0.00 N ATOM 719 CA CYS A 48 26.160 29.076 30.206 1.00 0.00 C ATOM 720 C CYS A 48 25.855 30.173 31.243 1.00 0.00 C ATOM 721 O CYS A 48 26.665 30.481 32.122 1.00 0.00 O ATOM 722 CB CYS A 48 25.459 27.747 30.532 1.00 0.00 C ATOM 723 SG CYS A 48 25.434 26.552 29.165 1.00 0.00 S ATOM 0 H CYS A 48 28.146 28.775 30.829 1.00 0.00 H new ATOM 0 HA CYS A 48 25.747 29.461 29.274 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.955 27.290 31.388 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.433 27.957 30.833 1.00 0.00 H new ATOM 728 N THR A 49 24.668 30.773 31.122 1.00 0.00 N ATOM 729 CA THR A 49 24.206 31.938 31.894 1.00 0.00 C ATOM 730 C THR A 49 22.890 31.662 32.636 1.00 0.00 C ATOM 731 O THR A 49 22.134 30.759 32.273 1.00 0.00 O ATOM 732 CB THR A 49 24.100 33.200 31.010 1.00 0.00 C ATOM 733 OG1 THR A 49 23.138 33.079 29.984 1.00 0.00 O ATOM 734 CG2 THR A 49 25.423 33.526 30.312 1.00 0.00 C ATOM 0 H THR A 49 23.969 30.448 30.454 1.00 0.00 H new ATOM 0 HA THR A 49 24.964 32.129 32.654 1.00 0.00 H new ATOM 0 HB THR A 49 23.813 33.988 31.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.114 33.906 29.459 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.301 34.421 29.701 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.196 33.700 31.060 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.715 32.690 29.676 1.00 0.00 H new ATOM 742 N HIS A 50 22.627 32.432 33.701 1.00 0.00 N ATOM 743 CA HIS A 50 21.443 32.323 34.582 1.00 0.00 C ATOM 744 C HIS A 50 21.293 30.969 35.309 1.00 0.00 C ATOM 745 O HIS A 50 20.187 30.544 35.657 1.00 0.00 O ATOM 746 CB HIS A 50 20.173 32.788 33.849 1.00 0.00 C ATOM 747 CG HIS A 50 20.372 34.053 33.049 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.637 35.311 33.591 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.421 34.140 31.688 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.813 36.133 32.544 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.692 35.457 31.390 1.00 0.00 N ATOM 0 H HIS A 50 23.257 33.181 33.989 1.00 0.00 H new ATOM 0 HA HIS A 50 21.612 33.012 35.409 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.836 31.994 33.182 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.380 32.949 34.579 1.00 0.00 H new ATOM 0 HD2 HIS A 50 20.276 33.335 30.983 1.00 0.00 H new ATOM 0 HE1 HIS A 50 21.023 37.190 32.619 1.00 0.00 H new ATOM 0 HE2 HIS A 50 20.785 35.851 30.454 1.00 0.00 H new ATOM 759 N LEU A 51 22.427 30.314 35.568 1.00 0.00 N ATOM 760 CA LEU A 51 22.580 29.083 36.348 1.00 0.00 C ATOM 761 C LEU A 51 22.345 29.335 37.849 1.00 0.00 C ATOM 762 O LEU A 51 22.488 30.461 38.326 1.00 0.00 O ATOM 763 CB LEU A 51 24.005 28.523 36.140 1.00 0.00 C ATOM 764 CG LEU A 51 24.480 28.377 34.681 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.942 27.929 34.672 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.641 27.350 33.925 1.00 0.00 C ATOM 0 H LEU A 51 23.322 30.652 35.215 1.00 0.00 H new ATOM 0 HA LEU A 51 21.835 28.365 36.004 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.707 29.172 36.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.060 27.544 36.616 1.00 0.00 H new ATOM 0 HG LEU A 51 24.371 29.343 34.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.284 27.824 33.642 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.554 28.672 35.183 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.032 26.971 35.184 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.001 27.270 32.899 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.724 26.380 34.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.598 27.665 33.920 1.00 0.00 H new ATOM 778 N TYR A 52 22.038 28.278 38.603 1.00 0.00 N ATOM 779 CA TYR A 52 21.773 28.355 40.046 1.00 0.00 C ATOM 780 C TYR A 52 23.053 28.557 40.887 1.00 0.00 C ATOM 781 O TYR A 52 24.161 28.256 40.438 1.00 0.00 O ATOM 782 CB TYR A 52 21.027 27.087 40.498 1.00 0.00 C ATOM 783 CG TYR A 52 19.797 26.660 39.706 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.983 27.601 39.041 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.450 25.294 39.666 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.842 27.175 38.335 1.00 0.00 C ATOM 787 CE2 TYR A 52 18.301 24.868 38.972 1.00 0.00 C ATOM 788 CZ TYR A 52 17.486 25.811 38.311 1.00 0.00 C ATOM 789 OH TYR A 52 16.334 25.425 37.701 1.00 0.00 O ATOM 0 H TYR A 52 21.965 27.333 38.227 1.00 0.00 H new ATOM 0 HA TYR A 52 21.154 29.236 40.216 1.00 0.00 H new ATOM 0 HB2 TYR A 52 21.736 26.260 40.485 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.723 27.230 41.535 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.236 28.650 39.074 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.070 24.569 40.172 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.236 27.897 37.809 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.044 23.819 38.946 1.00 0.00 H new ATOM 0 HH TYR A 52 16.236 24.452 37.772 1.00 0.00 H new ATOM 799 N GLU A 53 22.917 28.993 42.145 1.00 0.00 N ATOM 800 CA GLU A 53 24.060 29.237 43.047 1.00 0.00 C ATOM 801 C GLU A 53 24.789 27.964 43.515 1.00 0.00 C ATOM 802 O GLU A 53 25.836 28.058 44.158 1.00 0.00 O ATOM 803 CB GLU A 53 23.649 30.109 44.249 1.00 0.00 C ATOM 804 CG GLU A 53 22.755 29.435 45.307 1.00 0.00 C ATOM 805 CD GLU A 53 21.260 29.692 45.094 1.00 0.00 C ATOM 806 OE1 GLU A 53 20.756 29.553 43.956 1.00 0.00 O ATOM 807 OE2 GLU A 53 20.561 30.052 46.072 1.00 0.00 O ATOM 0 H GLU A 53 22.011 29.188 42.572 1.00 0.00 H new ATOM 0 HA GLU A 53 24.785 29.782 42.442 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.555 30.462 44.741 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.128 30.989 43.871 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.937 28.360 45.294 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.041 29.795 46.296 1.00 0.00 H new ATOM 814 N GLN A 54 24.239 26.783 43.212 1.00 0.00 N ATOM 815 CA GLN A 54 24.828 25.465 43.471 1.00 0.00 C ATOM 816 C GLN A 54 25.631 24.904 42.275 1.00 0.00 C ATOM 817 O GLN A 54 26.186 23.808 42.379 1.00 0.00 O ATOM 818 CB GLN A 54 23.720 24.473 43.888 1.00 0.00 C ATOM 819 CG GLN A 54 22.893 24.883 45.123 1.00 0.00 C ATOM 820 CD GLN A 54 21.722 25.833 44.854 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.398 26.215 43.737 1.00 0.00 O ATOM 822 NE2 GLN A 54 21.028 26.266 45.882 1.00 0.00 N ATOM 0 H GLN A 54 23.328 26.717 42.758 1.00 0.00 H new ATOM 0 HA GLN A 54 25.544 25.592 44.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.041 24.339 43.046 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.179 23.504 44.085 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.503 23.980 45.592 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.561 25.354 45.844 1.00 0.00 H new ATOM 0 HE21 GLN A 54 21.273 25.966 46.826 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.244 26.902 45.737 1.00 0.00 H new ATOM 831 N ALA A 55 25.677 25.607 41.134 1.00 0.00 N ATOM 832 CA ALA A 55 26.300 25.105 39.906 1.00 0.00 C ATOM 833 C ALA A 55 27.841 25.066 39.985 1.00 0.00 C ATOM 834 O ALA A 55 28.484 26.040 40.388 1.00 0.00 O ATOM 835 CB ALA A 55 25.803 25.933 38.714 1.00 0.00 C ATOM 0 H ALA A 55 25.281 26.542 41.039 1.00 0.00 H new ATOM 0 HA ALA A 55 25.998 24.067 39.770 1.00 0.00 H new ATOM 0 HB1 ALA A 55 26.263 25.564 37.797 1.00 0.00 H new ATOM 0 HB2 ALA A 55 24.719 25.845 38.637 1.00 0.00 H new ATOM 0 HB3 ALA A 55 26.073 26.979 38.860 1.00 0.00 H new ATOM 841 N VAL A 56 28.438 23.948 39.560 1.00 0.00 N ATOM 842 CA VAL A 56 29.894 23.720 39.559 1.00 0.00 C ATOM 843 C VAL A 56 30.531 24.380 38.334 1.00 0.00 C ATOM 844 O VAL A 56 30.207 24.026 37.201 1.00 0.00 O ATOM 845 CB VAL A 56 30.221 22.214 39.610 1.00 0.00 C ATOM 846 CG1 VAL A 56 31.737 21.968 39.640 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.628 21.547 40.860 1.00 0.00 C ATOM 0 H VAL A 56 27.912 23.153 39.197 1.00 0.00 H new ATOM 0 HA VAL A 56 30.314 24.177 40.455 1.00 0.00 H new ATOM 0 HB VAL A 56 29.783 21.784 38.709 1.00 0.00 H new ATOM 0 HG11 VAL A 56 31.931 20.896 39.676 1.00 0.00 H new ATOM 0 HG12 VAL A 56 32.192 22.389 38.744 1.00 0.00 H new ATOM 0 HG13 VAL A 56 32.165 22.444 40.522 1.00 0.00 H new ATOM 0 HG21 VAL A 56 29.880 20.486 40.860 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.039 22.018 41.753 1.00 0.00 H new ATOM 0 HG23 VAL A 56 28.544 21.663 40.855 1.00 0.00 H new ATOM 857 N VAL A 57 31.454 25.321 38.558 1.00 0.00 N ATOM 858 CA VAL A 57 32.154 26.087 37.503 1.00 0.00 C ATOM 859 C VAL A 57 33.676 26.081 37.685 1.00 0.00 C ATOM 860 O VAL A 57 34.176 26.021 38.815 1.00 0.00 O ATOM 861 CB VAL A 57 31.627 27.538 37.396 1.00 0.00 C ATOM 862 CG1 VAL A 57 30.155 27.596 36.966 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.766 28.329 38.704 1.00 0.00 C ATOM 0 H VAL A 57 31.748 25.583 39.499 1.00 0.00 H new ATOM 0 HA VAL A 57 31.934 25.576 36.566 1.00 0.00 H new ATOM 0 HB VAL A 57 32.256 27.996 36.633 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.834 28.636 36.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 30.042 27.125 35.990 1.00 0.00 H new ATOM 0 HG13 VAL A 57 29.542 27.069 37.696 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.379 29.338 38.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 31.201 27.831 39.492 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.817 28.381 38.988 1.00 0.00 H new ATOM 873 N TRP A 58 34.423 26.171 36.581 1.00 0.00 N ATOM 874 CA TRP A 58 35.882 26.324 36.558 1.00 0.00 C ATOM 875 C TRP A 58 36.304 27.772 36.235 1.00 0.00 C ATOM 876 O TRP A 58 35.715 28.382 35.341 1.00 0.00 O ATOM 877 CB TRP A 58 36.475 25.406 35.480 1.00 0.00 C ATOM 878 CG TRP A 58 36.732 23.963 35.789 1.00 0.00 C ATOM 879 CD1 TRP A 58 36.682 23.350 36.997 1.00 0.00 C ATOM 880 CD2 TRP A 58 37.130 22.928 34.835 1.00 0.00 C ATOM 881 NE1 TRP A 58 37.005 22.014 36.850 1.00 0.00 N ATOM 882 CE2 TRP A 58 37.294 21.698 35.540 1.00 0.00 C ATOM 883 CE3 TRP A 58 37.385 22.914 33.446 1.00 0.00 C ATOM 884 CZ2 TRP A 58 37.687 20.514 34.901 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.770 21.728 32.792 1.00 0.00 C ATOM 886 CH2 TRP A 58 37.920 20.532 33.517 1.00 0.00 C ATOM 0 H TRP A 58 34.016 26.138 35.646 1.00 0.00 H new ATOM 0 HA TRP A 58 36.252 26.062 37.549 1.00 0.00 H new ATOM 0 HB2 TRP A 58 35.806 25.440 34.620 1.00 0.00 H new ATOM 0 HB3 TRP A 58 37.422 25.844 35.165 1.00 0.00 H new ATOM 0 HD1 TRP A 58 36.429 23.831 37.930 1.00 0.00 H new ATOM 0 HE1 TRP A 58 37.027 21.343 37.618 1.00 0.00 H new ATOM 0 HE3 TRP A 58 37.283 23.826 32.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 37.809 19.601 35.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.951 21.737 31.727 1.00 0.00 H new ATOM 0 HH2 TRP A 58 38.215 19.626 33.008 1.00 0.00 H new ATOM 897 N PRO A 59 37.405 28.287 36.819 1.00 0.00 N ATOM 898 CA PRO A 59 38.037 29.548 36.409 1.00 0.00 C ATOM 899 C PRO A 59 38.862 29.439 35.104 1.00 0.00 C ATOM 900 O PRO A 59 39.668 30.322 34.812 1.00 0.00 O ATOM 901 CB PRO A 59 38.896 29.951 37.616 1.00 0.00 C ATOM 902 CG PRO A 59 39.343 28.606 38.187 1.00 0.00 C ATOM 903 CD PRO A 59 38.131 27.707 37.944 1.00 0.00 C ATOM 0 HA PRO A 59 37.289 30.300 36.158 1.00 0.00 H new ATOM 0 HB2 PRO A 59 39.746 30.565 37.319 1.00 0.00 H new ATOM 0 HB3 PRO A 59 38.324 30.528 38.343 1.00 0.00 H new ATOM 0 HG2 PRO A 59 40.232 28.229 37.682 1.00 0.00 H new ATOM 0 HG3 PRO A 59 39.585 28.678 39.247 1.00 0.00 H new ATOM 0 HD2 PRO A 59 38.443 26.687 37.720 1.00 0.00 H new ATOM 0 HD3 PRO A 59 37.499 27.660 38.831 1.00 0.00 H new ATOM 911 N LEU A 60 38.711 28.348 34.339 1.00 0.00 N ATOM 912 CA LEU A 60 39.524 27.993 33.167 1.00 0.00 C ATOM 913 C LEU A 60 38.638 27.561 31.972 1.00 0.00 C ATOM 914 O LEU A 60 38.532 26.367 31.681 1.00 0.00 O ATOM 915 CB LEU A 60 40.527 26.887 33.561 1.00 0.00 C ATOM 916 CG LEU A 60 41.595 27.275 34.598 1.00 0.00 C ATOM 917 CD1 LEU A 60 42.440 26.044 34.924 1.00 0.00 C ATOM 918 CD2 LEU A 60 42.533 28.369 34.085 1.00 0.00 C ATOM 0 H LEU A 60 37.985 27.657 34.530 1.00 0.00 H new ATOM 0 HA LEU A 60 40.079 28.872 32.839 1.00 0.00 H new ATOM 0 HB2 LEU A 60 39.965 26.038 33.950 1.00 0.00 H new ATOM 0 HB3 LEU A 60 41.034 26.547 32.658 1.00 0.00 H new ATOM 0 HG LEU A 60 41.074 27.653 35.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 43.200 26.309 35.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.800 25.261 35.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 42.923 25.683 34.016 1.00 0.00 H new ATOM 0 HD21 LEU A 60 43.268 28.607 34.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.045 28.018 33.189 1.00 0.00 H new ATOM 0 HD23 LEU A 60 41.955 29.262 33.847 1.00 0.00 H new ATOM 930 N PRO A 61 37.987 28.503 31.260 1.00 0.00 N ATOM 931 CA PRO A 61 37.043 28.206 30.171 1.00 0.00 C ATOM 932 C PRO A 61 37.694 27.645 28.886 1.00 0.00 C ATOM 933 O PRO A 61 37.008 27.347 27.902 1.00 0.00 O ATOM 934 CB PRO A 61 36.322 29.538 29.924 1.00 0.00 C ATOM 935 CG PRO A 61 37.385 30.580 30.265 1.00 0.00 C ATOM 936 CD PRO A 61 38.083 29.944 31.465 1.00 0.00 C ATOM 0 HA PRO A 61 36.367 27.400 30.458 1.00 0.00 H new ATOM 0 HB2 PRO A 61 35.987 29.629 28.891 1.00 0.00 H new ATOM 0 HB3 PRO A 61 35.440 29.641 30.556 1.00 0.00 H new ATOM 0 HG2 PRO A 61 38.072 30.748 29.436 1.00 0.00 H new ATOM 0 HG3 PRO A 61 36.944 31.545 30.514 1.00 0.00 H new ATOM 0 HD2 PRO A 61 39.124 30.262 31.526 1.00 0.00 H new ATOM 0 HD3 PRO A 61 37.604 30.239 32.398 1.00 0.00 H new ATOM 944 N ASN A 62 39.024 27.509 28.878 1.00 0.00 N ATOM 945 CA ASN A 62 39.833 27.045 27.752 1.00 0.00 C ATOM 946 C ASN A 62 40.664 25.781 28.105 1.00 0.00 C ATOM 947 O ASN A 62 41.551 25.394 27.344 1.00 0.00 O ATOM 948 CB ASN A 62 40.669 28.253 27.279 1.00 0.00 C ATOM 949 CG ASN A 62 41.051 28.267 25.812 1.00 0.00 C ATOM 950 OD1 ASN A 62 40.986 27.282 25.087 1.00 0.00 O ATOM 951 ND2 ASN A 62 41.486 29.404 25.330 1.00 0.00 N ATOM 0 H ASN A 62 39.590 27.731 29.697 1.00 0.00 H new ATOM 0 HA ASN A 62 39.208 26.703 26.927 1.00 0.00 H new ATOM 0 HB2 ASN A 62 40.110 29.163 27.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 41.583 28.291 27.872 1.00 0.00 H new ATOM 0 HD21 ASN A 62 41.770 29.468 24.352 1.00 0.00 H new ATOM 0 HD22 ASN A 62 41.541 30.226 25.932 1.00 0.00 H new ATOM 958 N LYS A 63 40.394 25.121 29.244 1.00 0.00 N ATOM 959 CA LYS A 63 41.081 23.891 29.693 1.00 0.00 C ATOM 960 C LYS A 63 40.613 22.658 28.903 1.00 0.00 C ATOM 961 O LYS A 63 39.531 22.124 29.140 1.00 0.00 O ATOM 962 CB LYS A 63 40.882 23.752 31.216 1.00 0.00 C ATOM 963 CG LYS A 63 41.428 22.441 31.799 1.00 0.00 C ATOM 964 CD LYS A 63 41.410 22.464 33.334 1.00 0.00 C ATOM 965 CE LYS A 63 41.731 21.071 33.883 1.00 0.00 C ATOM 966 NZ LYS A 63 41.842 21.070 35.359 1.00 0.00 N ATOM 0 H LYS A 63 39.675 25.433 29.896 1.00 0.00 H new ATOM 0 HA LYS A 63 42.150 23.963 29.491 1.00 0.00 H new ATOM 0 HB2 LYS A 63 41.370 24.590 31.714 1.00 0.00 H new ATOM 0 HB3 LYS A 63 39.818 23.823 31.441 1.00 0.00 H new ATOM 0 HG2 LYS A 63 40.831 21.603 31.439 1.00 0.00 H new ATOM 0 HG3 LYS A 63 42.447 22.281 31.447 1.00 0.00 H new ATOM 0 HD2 LYS A 63 42.138 23.186 33.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 40.432 22.787 33.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 40.952 20.372 33.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 42.666 20.716 33.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.060 20.109 35.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.602 21.717 35.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 40.942 21.384 35.775 1.00 0.00 H new ATOM 980 N THR A 64 41.428 22.204 27.952 1.00 0.00 N ATOM 981 CA THR A 64 41.145 21.073 27.056 1.00 0.00 C ATOM 982 C THR A 64 41.330 19.715 27.737 1.00 0.00 C ATOM 983 O THR A 64 42.139 19.562 28.661 1.00 0.00 O ATOM 984 CB THR A 64 42.034 21.118 25.804 1.00 0.00 C ATOM 985 OG1 THR A 64 43.388 20.902 26.132 1.00 0.00 O ATOM 986 CG2 THR A 64 41.938 22.419 25.011 1.00 0.00 C ATOM 0 H THR A 64 42.339 22.627 27.774 1.00 0.00 H new ATOM 0 HA THR A 64 40.097 21.177 26.775 1.00 0.00 H new ATOM 0 HB THR A 64 41.652 20.316 25.172 1.00 0.00 H new ATOM 0 HG1 THR A 64 43.657 20.006 25.839 1.00 0.00 H new ATOM 0 HG21 THR A 64 42.597 22.366 24.144 1.00 0.00 H new ATOM 0 HG22 THR A 64 40.911 22.567 24.678 1.00 0.00 H new ATOM 0 HG23 THR A 64 42.238 23.254 25.644 1.00 0.00 H new ATOM 994 N CYS A 65 40.624 18.698 27.243 1.00 0.00 N ATOM 995 CA CYS A 65 40.664 17.333 27.766 1.00 0.00 C ATOM 996 C CYS A 65 42.043 16.664 27.614 1.00 0.00 C ATOM 997 O CYS A 65 42.506 16.001 28.545 1.00 0.00 O ATOM 998 CB CYS A 65 39.583 16.513 27.052 1.00 0.00 C ATOM 999 SG CYS A 65 39.261 14.893 27.793 1.00 0.00 S ATOM 0 H CYS A 65 39.993 18.803 26.449 1.00 0.00 H new ATOM 0 HA CYS A 65 40.474 17.375 28.839 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.656 17.086 27.044 1.00 0.00 H new ATOM 0 HB3 CYS A 65 39.879 16.371 26.013 1.00 0.00 H new ATOM 1004 N ASN A 66 42.729 16.845 26.477 1.00 0.00 N ATOM 1005 CA ASN A 66 44.008 16.174 26.183 1.00 0.00 C ATOM 1006 C ASN A 66 45.139 17.113 25.698 1.00 0.00 C ATOM 1007 O ASN A 66 46.267 16.673 25.468 1.00 0.00 O ATOM 1008 CB ASN A 66 43.731 15.003 25.219 1.00 0.00 C ATOM 1009 CG ASN A 66 44.758 13.892 25.363 1.00 0.00 C ATOM 1010 OD1 ASN A 66 45.046 13.425 26.458 1.00 0.00 O ATOM 1011 ND2 ASN A 66 45.344 13.432 24.288 1.00 0.00 N ATOM 0 H ASN A 66 42.413 17.464 25.730 1.00 0.00 H new ATOM 0 HA ASN A 66 44.410 15.790 27.121 1.00 0.00 H new ATOM 0 HB2 ASN A 66 42.735 14.603 25.411 1.00 0.00 H new ATOM 0 HB3 ASN A 66 43.735 15.370 24.193 1.00 0.00 H new ATOM 0 HD21 ASN A 66 46.037 12.688 24.364 1.00 0.00 H new ATOM 0 HD22 ASN A 66 45.108 13.818 23.374 1.00 0.00 H new HETATM 1018 N NH2 A 67 44.903 18.409 25.548 1.00 0.00 N TER 1021 NH2 A 67