USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 LYS NZ :NH3+ -152:sc= 0.142 (180deg=0) USER MOD Set 1.2: A 44 TYR OH : rot 63:sc= 1.58 USER MOD Set 1.3: A 49 TYR OH : rot 180:sc= 0.132 USER MOD Set 1.4: A 54 LYS NZ :NH3+ 174:sc= 0.248 (180deg=-0.133) USER MOD Set 2.1: A 41 MET CE :methyl -162:sc= -0.195 (180deg=-0.295) USER MOD Set 2.2: A 76 MET CE :methyl -146:sc= -0.366 (180deg=-1.78) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 170:sc= 0.0486 (180deg=-0.203) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0.0745 USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= -0.165 USER MOD Set 4.2: A 14 HIS : no HD1:sc= -1.65 K(o=-1.8,f=-2.5!) USER MOD Single : A 10 CYS SG : rot 164:sc= -1.35 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -97:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 0.696 (180deg=0.36) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.15 (180deg=0.756) USER MOD Single : A 32 GLN : amide:sc= 0.015 K(o=0.015,f=-1.7) USER MOD Single : A 38 TYR OH : rot -20:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.394 (180deg=0.383) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.602 (180deg=0.56) USER MOD Single : A 48 SER OG : rot -41:sc= 0.705 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 172:sc= -1.2 (180deg=-1.21) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.01 USER MOD Single : A 59 ASN : amide:sc= -0.229! X(o=-0.23!,f=-0.043) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 0.967 (180deg=0.716) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0.174 (180deg=0.0916) USER MOD Single : A 64 TYR OH : rot -121:sc= 0.765 USER MOD Single : A 65 SER OG : rot 180:sc= -0.175 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0488) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -38:sc= 0.358 USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.414 (180deg=0.414) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 2.180 -13.857 -4.506 1.00 0.00 N ATOM 7 CA ASP A 2 1.407 -12.732 -3.994 1.00 0.00 C ATOM 8 C ASP A 2 2.060 -12.292 -2.690 1.00 0.00 C ATOM 9 O ASP A 2 2.608 -13.116 -1.962 1.00 0.00 O ATOM 10 CB ASP A 2 -0.052 -13.150 -3.891 1.00 0.00 C ATOM 11 CG ASP A 2 -0.243 -14.423 -3.072 1.00 0.00 C ATOM 12 OD1 ASP A 2 0.202 -15.482 -3.572 1.00 0.00 O ATOM 13 OD2 ASP A 2 -0.810 -14.307 -1.965 1.00 0.00 O ATOM 0 HA ASP A 2 1.407 -11.862 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.626 -12.342 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.453 -13.304 -4.893 1.00 0.00 H new ATOM 14 N GLY A 3 2.040 -10.985 -2.425 1.00 0.00 N ATOM 15 CA GLY A 3 2.795 -10.419 -1.339 1.00 0.00 C ATOM 16 C GLY A 3 4.207 -10.468 -1.919 1.00 0.00 C ATOM 17 O GLY A 3 5.037 -11.303 -1.575 1.00 0.00 O ATOM 0 H GLY A 3 1.500 -10.305 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.480 -9.403 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.704 -11.003 -0.423 1.00 0.00 H new ATOM 18 N ALA A 4 4.378 -9.547 -2.868 1.00 0.00 N ATOM 19 CA ALA A 4 5.486 -9.270 -3.763 1.00 0.00 C ATOM 20 C ALA A 4 4.890 -9.145 -5.165 1.00 0.00 C ATOM 21 O ALA A 4 5.101 -8.127 -5.821 1.00 0.00 O ATOM 22 CB ALA A 4 6.578 -10.349 -3.753 1.00 0.00 C ATOM 0 H ALA A 4 3.624 -8.884 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 4 5.983 -8.358 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.371 -10.070 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.990 -10.440 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.149 -11.304 -4.057 1.00 0.00 H new ATOM 23 N ALA A 5 4.078 -10.119 -5.614 1.00 0.00 N ATOM 24 CA ALA A 5 3.537 -10.036 -6.963 1.00 0.00 C ATOM 25 C ALA A 5 2.453 -8.971 -7.055 1.00 0.00 C ATOM 26 O ALA A 5 2.230 -8.428 -8.131 1.00 0.00 O ATOM 27 CB ALA A 5 3.003 -11.398 -7.415 1.00 0.00 C ATOM 0 H ALA A 5 3.796 -10.940 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 5 4.346 -9.746 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.603 -11.315 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.812 -12.128 -7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.213 -11.722 -6.738 1.00 0.00 H new ATOM 28 N LEU A 6 1.768 -8.653 -5.953 1.00 0.00 N ATOM 29 CA LEU A 6 0.732 -7.650 -6.000 1.00 0.00 C ATOM 30 C LEU A 6 1.350 -6.253 -5.928 1.00 0.00 C ATOM 31 O LEU A 6 0.830 -5.308 -6.525 1.00 0.00 O ATOM 32 CB LEU A 6 -0.191 -7.933 -4.823 1.00 0.00 C ATOM 33 CG LEU A 6 -1.176 -9.073 -5.118 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.668 -9.650 -3.791 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.373 -8.578 -5.938 1.00 0.00 C ATOM 0 H LEU A 6 1.918 -9.075 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 6 0.168 -7.685 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.407 -8.189 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.748 -7.029 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.664 -9.837 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.369 -10.462 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.819 -10.031 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.167 -8.869 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.051 -9.409 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.899 -7.802 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.021 -8.171 -6.886 1.00 0.00 H new ATOM 36 N TYR A 7 2.450 -6.125 -5.174 1.00 0.00 N ATOM 37 CA TYR A 7 3.125 -4.849 -4.969 1.00 0.00 C ATOM 38 C TYR A 7 3.957 -4.350 -6.162 1.00 0.00 C ATOM 39 O TYR A 7 4.381 -3.192 -6.171 1.00 0.00 O ATOM 40 CB TYR A 7 3.978 -4.931 -3.692 1.00 0.00 C ATOM 41 CG TYR A 7 4.109 -3.606 -2.962 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.957 -2.866 -2.641 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.362 -3.131 -2.538 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.070 -1.582 -2.101 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.458 -1.890 -1.885 1.00 0.00 C ATOM 46 CZ TYR A 7 4.334 -1.053 -1.813 1.00 0.00 C ATOM 47 OH TYR A 7 4.458 0.228 -1.370 1.00 0.00 O ATOM 0 H TYR A 7 2.892 -6.907 -4.691 1.00 0.00 H new ATOM 0 HA TYR A 7 2.340 -4.100 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.538 -5.666 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.973 -5.293 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.980 -3.292 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.251 -3.719 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.183 -0.998 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.393 -1.582 -1.441 1.00 0.00 H new ATOM 0 HH TYR A 7 5.405 0.432 -1.218 1.00 0.00 H new ATOM 48 N LYS A 8 4.187 -5.183 -7.181 1.00 0.00 N ATOM 49 CA LYS A 8 4.979 -4.809 -8.351 1.00 0.00 C ATOM 50 C LYS A 8 4.548 -3.461 -8.955 1.00 0.00 C ATOM 51 O LYS A 8 5.382 -2.621 -9.281 1.00 0.00 O ATOM 52 CB LYS A 8 4.895 -5.942 -9.386 1.00 0.00 C ATOM 53 CG LYS A 8 3.490 -6.109 -9.982 1.00 0.00 C ATOM 54 CD LYS A 8 3.400 -7.385 -10.822 1.00 0.00 C ATOM 55 CE LYS A 8 1.975 -7.592 -11.354 1.00 0.00 C ATOM 56 NZ LYS A 8 1.505 -6.447 -12.157 1.00 0.00 N ATOM 0 H LYS A 8 3.828 -6.137 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 8 6.014 -4.671 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.604 -5.745 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.198 -6.878 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.753 -6.144 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.248 -5.244 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.099 -7.326 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.696 -8.244 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.944 -8.496 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.296 -7.748 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.615 -6.698 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.346 -5.629 -11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.222 -6.206 -12.870 1.00 0.00 H new ATOM 57 N SER A 9 3.238 -3.233 -9.067 1.00 0.00 N ATOM 58 CA SER A 9 2.667 -2.028 -9.658 1.00 0.00 C ATOM 59 C SER A 9 2.769 -0.792 -8.751 1.00 0.00 C ATOM 60 O SER A 9 2.398 0.303 -9.163 1.00 0.00 O ATOM 61 CB SER A 9 1.197 -2.326 -9.984 1.00 0.00 C ATOM 62 OG SER A 9 1.079 -3.619 -10.559 1.00 0.00 O ATOM 0 H SER A 9 2.533 -3.895 -8.742 1.00 0.00 H new ATOM 0 HA SER A 9 3.238 -1.781 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.596 -2.266 -9.077 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.810 -1.576 -10.673 1.00 0.00 H new ATOM 0 HG SER A 9 0.138 -3.802 -10.762 1.00 0.00 H new ATOM 63 N CYS A 10 3.249 -0.964 -7.520 1.00 0.00 N ATOM 64 CA CYS A 10 3.378 0.052 -6.485 1.00 0.00 C ATOM 65 C CYS A 10 4.822 0.522 -6.409 1.00 0.00 C ATOM 66 O CYS A 10 5.098 1.708 -6.203 1.00 0.00 O ATOM 67 CB CYS A 10 2.938 -0.580 -5.165 1.00 0.00 C ATOM 68 SG CYS A 10 1.504 -1.692 -5.301 1.00 0.00 S ATOM 0 H CYS A 10 3.578 -1.876 -7.202 1.00 0.00 H new ATOM 0 HA CYS A 10 2.757 0.921 -6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.776 -1.138 -4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.700 0.215 -4.458 1.00 0.00 H new ATOM 0 HG CYS A 10 1.425 -2.430 -4.234 1.00 0.00 H new ATOM 69 N ILE A 11 5.737 -0.435 -6.605 1.00 0.00 N ATOM 70 CA ILE A 11 7.180 -0.235 -6.647 1.00 0.00 C ATOM 71 C ILE A 11 7.505 0.977 -7.536 1.00 0.00 C ATOM 72 O ILE A 11 8.468 1.690 -7.273 1.00 0.00 O ATOM 73 CB ILE A 11 7.838 -1.565 -7.105 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.601 -2.252 -5.962 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.820 -1.383 -8.271 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.743 -2.598 -4.740 1.00 0.00 C ATOM 0 H ILE A 11 5.474 -1.411 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 11 7.592 0.004 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 11 7.003 -2.184 -7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.053 -3.168 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.416 -1.602 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.245 -2.349 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.293 -0.964 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.620 -0.706 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.364 -3.079 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.312 -1.686 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.943 -3.276 -5.037 1.00 0.00 H new ATOM 77 N GLY A 12 6.696 1.236 -8.571 1.00 0.00 N ATOM 78 CA GLY A 12 6.864 2.378 -9.457 1.00 0.00 C ATOM 79 C GLY A 12 6.974 3.706 -8.692 1.00 0.00 C ATOM 80 O GLY A 12 7.823 4.526 -9.028 1.00 0.00 O ATOM 0 H GLY A 12 5.899 0.647 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.760 2.236 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.020 2.427 -10.145 1.00 0.00 H new ATOM 81 N CYS A 13 6.120 3.932 -7.682 1.00 0.00 N ATOM 82 CA CYS A 13 6.150 5.163 -6.885 1.00 0.00 C ATOM 83 C CYS A 13 6.946 4.950 -5.602 1.00 0.00 C ATOM 84 O CYS A 13 7.739 5.802 -5.209 1.00 0.00 O ATOM 85 CB CYS A 13 4.747 5.629 -6.463 1.00 0.00 C ATOM 86 SG CYS A 13 3.758 6.557 -7.661 1.00 0.00 S ATOM 0 H CYS A 13 5.396 3.272 -7.398 1.00 0.00 H new ATOM 0 HA CYS A 13 6.609 5.917 -7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.177 4.747 -6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.855 6.246 -5.571 1.00 0.00 H new ATOM 0 HG CYS A 13 2.610 6.862 -7.133 1.00 0.00 H new ATOM 87 N HIS A 14 6.699 3.825 -4.929 1.00 0.00 N ATOM 88 CA HIS A 14 7.310 3.521 -3.643 1.00 0.00 C ATOM 89 C HIS A 14 8.782 3.104 -3.730 1.00 0.00 C ATOM 90 O HIS A 14 9.491 3.162 -2.728 1.00 0.00 O ATOM 91 CB HIS A 14 6.445 2.457 -2.964 1.00 0.00 C ATOM 92 CG HIS A 14 5.092 2.988 -2.582 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.908 3.678 -1.398 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.853 2.934 -3.172 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.614 4.021 -1.334 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.904 3.535 -2.352 1.00 0.00 N ATOM 0 H HIS A 14 6.066 3.099 -5.266 1.00 0.00 H new ATOM 0 HA HIS A 14 7.339 4.433 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.324 1.606 -3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.955 2.090 -2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.646 2.489 -4.134 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.193 4.625 -0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.896 3.591 -2.496 1.00 0.00 H new ATOM 97 N GLY A 15 9.276 2.714 -4.902 1.00 0.00 N ATOM 98 CA GLY A 15 10.656 2.289 -5.067 1.00 0.00 C ATOM 99 C GLY A 15 10.796 0.796 -4.770 1.00 0.00 C ATOM 100 O GLY A 15 9.951 0.207 -4.097 1.00 0.00 O ATOM 0 H GLY A 15 8.728 2.685 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.987 2.496 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.301 2.861 -4.400 1.00 0.00 H new ATOM 101 N ALA A 16 11.883 0.201 -5.277 1.00 0.00 N ATOM 102 CA ALA A 16 12.242 -1.214 -5.174 1.00 0.00 C ATOM 103 C ALA A 16 11.794 -1.874 -3.865 1.00 0.00 C ATOM 104 O ALA A 16 11.061 -2.859 -3.889 1.00 0.00 O ATOM 105 CB ALA A 16 13.759 -1.347 -5.339 1.00 0.00 C ATOM 0 H ALA A 16 12.578 0.731 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 16 11.711 -1.741 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.042 -2.397 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.054 -0.960 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.261 -0.779 -4.556 1.00 0.00 H new ATOM 106 N ASP A 17 12.250 -1.342 -2.730 1.00 0.00 N ATOM 107 CA ASP A 17 11.986 -1.791 -1.391 1.00 0.00 C ATOM 108 C ASP A 17 11.104 -0.772 -0.674 1.00 0.00 C ATOM 109 O ASP A 17 11.386 -0.422 0.465 1.00 0.00 O ATOM 110 CB ASP A 17 13.322 -2.006 -0.655 1.00 0.00 C ATOM 111 CG ASP A 17 14.122 -0.714 -0.471 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.165 0.077 -1.442 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.678 -0.528 0.632 1.00 0.00 O ATOM 0 H ASP A 17 12.859 -0.524 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 17 11.451 -2.741 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.125 -2.446 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.925 -2.723 -1.212 1.00 0.00 H new ATOM 114 N GLY A 18 10.070 -0.263 -1.355 1.00 0.00 N ATOM 115 CA GLY A 18 9.095 0.721 -0.879 1.00 0.00 C ATOM 116 C GLY A 18 9.656 1.828 0.024 1.00 0.00 C ATOM 117 O GLY A 18 8.963 2.351 0.898 1.00 0.00 O ATOM 0 H GLY A 18 9.881 -0.548 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.624 1.187 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.311 0.195 -0.334 1.00 0.00 H new ATOM 118 N SER A 19 10.919 2.174 -0.190 1.00 0.00 N ATOM 119 CA SER A 19 11.678 3.165 0.549 1.00 0.00 C ATOM 120 C SER A 19 11.371 4.602 0.125 1.00 0.00 C ATOM 121 O SER A 19 11.464 5.514 0.946 1.00 0.00 O ATOM 122 CB SER A 19 13.156 2.835 0.329 1.00 0.00 C ATOM 123 OG SER A 19 13.378 2.599 -1.052 1.00 0.00 O ATOM 0 H SER A 19 11.471 1.741 -0.930 1.00 0.00 H new ATOM 0 HA SER A 19 11.404 3.119 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.781 3.658 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.436 1.956 0.910 1.00 0.00 H new ATOM 0 HG SER A 19 13.352 1.635 -1.228 1.00 0.00 H new ATOM 124 N LYS A 20 11.030 4.830 -1.145 1.00 0.00 N ATOM 125 CA LYS A 20 10.754 6.166 -1.642 1.00 0.00 C ATOM 126 C LYS A 20 9.424 6.668 -1.086 1.00 0.00 C ATOM 127 O LYS A 20 8.397 5.990 -1.151 1.00 0.00 O ATOM 128 CB LYS A 20 10.768 6.167 -3.182 1.00 0.00 C ATOM 129 CG LYS A 20 10.272 7.458 -3.854 1.00 0.00 C ATOM 130 CD LYS A 20 11.112 8.694 -3.500 1.00 0.00 C ATOM 131 CE LYS A 20 10.678 9.920 -4.314 1.00 0.00 C ATOM 132 NZ LYS A 20 9.248 10.235 -4.135 1.00 0.00 N ATOM 0 H LYS A 20 10.940 4.096 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 20 11.532 6.850 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.787 5.973 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.154 5.338 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.279 7.321 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.237 7.636 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.014 8.909 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.165 8.485 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.277 10.781 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.879 9.741 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.082 11.237 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.679 9.639 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.973 10.051 -3.149 1.00 0.00 H new ATOM 133 N ALA A 21 9.459 7.883 -0.535 1.00 0.00 N ATOM 134 CA ALA A 21 8.296 8.579 -0.021 1.00 0.00 C ATOM 135 C ALA A 21 7.452 8.951 -1.242 1.00 0.00 C ATOM 136 O ALA A 21 7.580 10.036 -1.803 1.00 0.00 O ATOM 137 CB ALA A 21 8.761 9.798 0.781 1.00 0.00 C ATOM 0 H ALA A 21 10.323 8.417 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 21 7.696 7.974 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.893 10.329 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.390 9.471 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.332 10.464 0.133 1.00 0.00 H new ATOM 138 N ALA A 22 6.640 7.996 -1.691 1.00 0.00 N ATOM 139 CA ALA A 22 5.790 8.074 -2.863 1.00 0.00 C ATOM 140 C ALA A 22 5.030 9.386 -3.043 1.00 0.00 C ATOM 141 O ALA A 22 4.498 9.940 -2.088 1.00 0.00 O ATOM 142 CB ALA A 22 4.809 6.904 -2.837 1.00 0.00 C ATOM 0 H ALA A 22 6.558 7.098 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 22 6.461 8.026 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.163 6.951 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.362 5.965 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.200 6.960 -1.935 1.00 0.00 H new ATOM 143 N MET A 23 4.961 9.820 -4.308 1.00 0.00 N ATOM 144 CA MET A 23 4.297 11.005 -4.838 1.00 0.00 C ATOM 145 C MET A 23 4.226 12.162 -3.843 1.00 0.00 C ATOM 146 O MET A 23 5.145 12.976 -3.794 1.00 0.00 O ATOM 147 CB MET A 23 2.930 10.567 -5.394 1.00 0.00 C ATOM 148 CG MET A 23 2.047 11.691 -5.951 1.00 0.00 C ATOM 149 SD MET A 23 2.849 12.803 -7.133 1.00 0.00 S ATOM 150 CE MET A 23 1.491 13.953 -7.437 1.00 0.00 C ATOM 0 H MET A 23 5.415 9.294 -5.055 1.00 0.00 H new ATOM 0 HA MET A 23 4.891 11.427 -5.649 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.098 9.836 -6.185 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.382 10.059 -4.601 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.179 11.242 -6.434 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.675 12.285 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.811 14.714 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.638 13.410 -7.845 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.203 14.431 -6.501 1.00 0.00 H new ATOM 151 N GLY A 24 3.172 12.243 -3.028 1.00 0.00 N ATOM 152 CA GLY A 24 3.011 13.309 -2.051 1.00 0.00 C ATOM 153 C GLY A 24 3.896 13.109 -0.821 1.00 0.00 C ATOM 154 O GLY A 24 3.465 13.364 0.303 1.00 0.00 O ATOM 0 H GLY A 24 2.408 11.568 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.251 14.265 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.967 13.359 -1.740 1.00 0.00 H new ATOM 155 N SER A 25 5.147 12.701 -1.038 1.00 0.00 N ATOM 156 CA SER A 25 6.129 12.433 -0.010 1.00 0.00 C ATOM 157 C SER A 25 5.540 11.479 1.033 1.00 0.00 C ATOM 158 O SER A 25 5.492 11.820 2.213 1.00 0.00 O ATOM 159 CB SER A 25 6.597 13.751 0.619 1.00 0.00 C ATOM 160 OG SER A 25 7.096 14.607 -0.391 1.00 0.00 O ATOM 0 H SER A 25 5.510 12.544 -1.978 1.00 0.00 H new ATOM 0 HA SER A 25 7.001 11.948 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.769 14.231 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.372 13.557 1.361 1.00 0.00 H new ATOM 0 HG SER A 25 7.393 15.450 0.012 1.00 0.00 H new ATOM 161 N ALA A 26 5.097 10.288 0.611 1.00 0.00 N ATOM 162 CA ALA A 26 4.498 9.334 1.511 1.00 0.00 C ATOM 163 C ALA A 26 5.361 8.964 2.702 1.00 0.00 C ATOM 164 O ALA A 26 6.588 8.968 2.627 1.00 0.00 O ATOM 165 CB ALA A 26 4.243 8.040 0.729 1.00 0.00 C ATOM 0 H ALA A 26 5.149 9.974 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 26 3.594 9.805 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.789 7.300 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.571 8.245 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.188 7.654 0.346 1.00 0.00 H new ATOM 166 N LYS A 27 4.696 8.600 3.799 1.00 0.00 N ATOM 167 CA LYS A 27 5.381 8.065 4.963 1.00 0.00 C ATOM 168 C LYS A 27 6.152 6.869 4.382 1.00 0.00 C ATOM 169 O LYS A 27 5.501 6.053 3.727 1.00 0.00 O ATOM 170 CB LYS A 27 4.354 7.587 6.002 1.00 0.00 C ATOM 171 CG LYS A 27 3.403 8.690 6.490 1.00 0.00 C ATOM 172 CD LYS A 27 2.349 8.144 7.470 1.00 0.00 C ATOM 173 CE LYS A 27 1.350 7.146 6.855 1.00 0.00 C ATOM 174 NZ LYS A 27 0.539 7.743 5.777 1.00 0.00 N ATOM 0 H LYS A 27 3.683 8.668 3.900 1.00 0.00 H new ATOM 0 HA LYS A 27 6.021 8.788 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.765 6.778 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.885 7.173 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.979 9.477 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.903 9.144 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.862 7.658 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.792 8.983 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.895 6.288 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.689 6.772 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.162 7.050 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.048 8.586 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.158 8.015 4.987 1.00 0.00 H new ATOM 175 N PRO A 28 7.482 6.749 4.532 1.00 0.00 N ATOM 176 CA PRO A 28 8.231 5.656 3.925 1.00 0.00 C ATOM 177 C PRO A 28 7.536 4.327 4.199 1.00 0.00 C ATOM 178 O PRO A 28 7.392 3.938 5.355 1.00 0.00 O ATOM 179 CB PRO A 28 9.647 5.723 4.500 1.00 0.00 C ATOM 180 CG PRO A 28 9.508 6.611 5.739 1.00 0.00 C ATOM 181 CD PRO A 28 8.337 7.535 5.401 1.00 0.00 C ATOM 0 HA PRO A 28 8.280 5.743 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.018 4.732 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.349 6.148 3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.306 6.021 6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.420 7.176 5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.807 7.846 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.680 8.442 4.903 1.00 0.00 H new ATOM 182 N VAL A 29 7.060 3.666 3.136 1.00 0.00 N ATOM 183 CA VAL A 29 6.345 2.407 3.278 1.00 0.00 C ATOM 184 C VAL A 29 7.295 1.423 3.959 1.00 0.00 C ATOM 185 O VAL A 29 6.871 0.670 4.831 1.00 0.00 O ATOM 186 CB VAL A 29 5.749 1.961 1.938 1.00 0.00 C ATOM 187 CG1 VAL A 29 5.169 0.554 2.021 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.562 2.873 1.604 1.00 0.00 C ATOM 0 H VAL A 29 7.161 3.987 2.173 1.00 0.00 H new ATOM 0 HA VAL A 29 5.466 2.491 3.917 1.00 0.00 H new ATOM 0 HB VAL A 29 6.547 2.000 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.756 0.273 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.956 -0.148 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.380 0.529 2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.126 2.569 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.810 2.794 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.905 3.905 1.533 1.00 0.00 H new ATOM 189 N LYS A 30 8.577 1.424 3.579 1.00 0.00 N ATOM 190 CA LYS A 30 9.589 0.651 4.269 1.00 0.00 C ATOM 191 C LYS A 30 9.640 1.063 5.728 1.00 0.00 C ATOM 192 O LYS A 30 10.199 2.097 6.090 1.00 0.00 O ATOM 193 CB LYS A 30 10.950 0.857 3.622 1.00 0.00 C ATOM 194 CG LYS A 30 12.106 0.071 4.269 1.00 0.00 C ATOM 195 CD LYS A 30 13.059 0.934 5.103 1.00 0.00 C ATOM 196 CE LYS A 30 14.286 0.117 5.531 1.00 0.00 C ATOM 197 NZ LYS A 30 13.918 -1.099 6.281 1.00 0.00 N ATOM 0 H LYS A 30 8.931 1.961 2.787 1.00 0.00 H new ATOM 0 HA LYS A 30 9.331 -0.406 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.882 0.575 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.192 1.919 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.689 -0.710 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.676 -0.427 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.376 1.801 4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.540 1.312 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.858 -0.164 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.936 0.738 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.755 -1.468 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.179 -0.868 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.560 -1.819 5.621 1.00 0.00 H new ATOM 198 N GLY A 31 9.027 0.219 6.542 1.00 0.00 N ATOM 199 CA GLY A 31 8.963 0.384 7.981 1.00 0.00 C ATOM 200 C GLY A 31 7.528 0.428 8.476 1.00 0.00 C ATOM 201 O GLY A 31 7.303 0.255 9.674 1.00 0.00 O ATOM 0 H GLY A 31 8.549 -0.619 6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.491 -0.438 8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.475 1.303 8.265 1.00 0.00 H new ATOM 202 N GLN A 32 6.547 0.678 7.598 1.00 0.00 N ATOM 203 CA GLN A 32 5.175 0.687 8.035 1.00 0.00 C ATOM 204 C GLN A 32 4.840 -0.759 8.455 1.00 0.00 C ATOM 205 O GLN A 32 5.320 -1.715 7.846 1.00 0.00 O ATOM 206 CB GLN A 32 4.252 1.240 6.940 1.00 0.00 C ATOM 207 CG GLN A 32 4.368 2.750 6.601 1.00 0.00 C ATOM 208 CD GLN A 32 3.407 3.175 5.468 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.400 2.510 5.266 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.671 4.238 4.689 1.00 0.00 N ATOM 0 H GLN A 32 6.688 0.871 6.606 1.00 0.00 H new ATOM 0 HA GLN A 32 5.022 1.353 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.437 0.675 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.222 1.040 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.155 3.337 7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.393 2.976 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.509 4.795 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.033 4.487 3.933 1.00 0.00 H new ATOM 211 N GLY A 33 4.046 -0.927 9.513 1.00 0.00 N ATOM 212 CA GLY A 33 3.719 -2.243 10.065 1.00 0.00 C ATOM 213 C GLY A 33 2.584 -2.932 9.314 1.00 0.00 C ATOM 214 O GLY A 33 1.625 -2.268 8.948 1.00 0.00 O ATOM 0 H GLY A 33 3.610 -0.152 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.606 -2.876 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.442 -2.134 11.113 1.00 0.00 H new ATOM 215 N ALA A 34 2.659 -4.257 9.125 1.00 0.00 N ATOM 216 CA ALA A 34 1.687 -5.087 8.419 1.00 0.00 C ATOM 217 C ALA A 34 0.265 -4.726 8.807 1.00 0.00 C ATOM 218 O ALA A 34 -0.547 -4.406 7.947 1.00 0.00 O ATOM 219 CB ALA A 34 1.937 -6.570 8.723 1.00 0.00 C ATOM 0 H ALA A 34 3.443 -4.803 9.482 1.00 0.00 H new ATOM 0 HA ALA A 34 1.810 -4.905 7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.206 -7.179 8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.941 -6.843 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.842 -6.743 9.795 1.00 0.00 H new ATOM 220 N GLU A 35 -0.029 -4.767 10.106 1.00 0.00 N ATOM 221 CA GLU A 35 -1.365 -4.452 10.595 1.00 0.00 C ATOM 222 C GLU A 35 -1.793 -3.080 10.075 1.00 0.00 C ATOM 223 O GLU A 35 -2.886 -2.928 9.537 1.00 0.00 O ATOM 224 CB GLU A 35 -1.386 -4.484 12.131 1.00 0.00 C ATOM 225 CG GLU A 35 -2.819 -4.351 12.671 1.00 0.00 C ATOM 226 CD GLU A 35 -2.836 -4.065 14.169 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.358 -4.943 14.920 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.319 -2.970 14.533 1.00 0.00 O ATOM 0 H GLU A 35 0.640 -5.015 10.835 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.069 -5.199 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.947 -5.417 12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.771 -3.674 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.334 -3.549 12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.370 -5.270 12.470 1.00 0.00 H new ATOM 229 N GLU A 36 -0.909 -2.094 10.228 1.00 0.00 N ATOM 230 CA GLU A 36 -1.149 -0.729 9.809 1.00 0.00 C ATOM 231 C GLU A 36 -1.432 -0.689 8.311 1.00 0.00 C ATOM 232 O GLU A 36 -2.462 -0.185 7.888 1.00 0.00 O ATOM 233 CB GLU A 36 0.076 0.128 10.184 1.00 0.00 C ATOM 234 CG GLU A 36 -0.299 1.600 10.402 1.00 0.00 C ATOM 235 CD GLU A 36 -1.286 1.788 11.551 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.891 1.478 12.695 1.00 0.00 O ATOM 237 OE2 GLU A 36 -2.422 2.224 11.261 1.00 0.00 O ATOM 0 H GLU A 36 0.007 -2.232 10.655 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.024 -0.322 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.532 -0.268 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.824 0.057 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.604 2.175 10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.733 2.001 9.486 1.00 0.00 H new ATOM 238 N LEU A 37 -0.519 -1.238 7.515 1.00 0.00 N ATOM 239 CA LEU A 37 -0.605 -1.307 6.069 1.00 0.00 C ATOM 240 C LEU A 37 -1.953 -1.904 5.646 1.00 0.00 C ATOM 241 O LEU A 37 -2.645 -1.350 4.794 1.00 0.00 O ATOM 242 CB LEU A 37 0.570 -2.164 5.572 1.00 0.00 C ATOM 243 CG LEU A 37 1.949 -1.507 5.763 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.051 -2.570 5.776 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.234 -0.568 4.600 1.00 0.00 C ATOM 0 H LEU A 37 0.334 -1.663 7.880 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.544 -0.312 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.558 -3.119 6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.426 -2.381 4.514 1.00 0.00 H new ATOM 0 HG LEU A 37 1.937 -0.965 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.019 -2.089 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.874 -3.267 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.045 -3.112 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.211 -0.104 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.228 -1.132 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.467 0.206 4.561 1.00 0.00 H new ATOM 246 N TYR A 38 -2.335 -3.032 6.250 1.00 0.00 N ATOM 247 CA TYR A 38 -3.576 -3.737 5.960 1.00 0.00 C ATOM 248 C TYR A 38 -4.768 -2.852 6.279 1.00 0.00 C ATOM 249 O TYR A 38 -5.657 -2.665 5.460 1.00 0.00 O ATOM 250 CB TYR A 38 -3.647 -4.977 6.858 1.00 0.00 C ATOM 251 CG TYR A 38 -4.348 -6.221 6.354 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.452 -6.137 5.479 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.124 -7.410 7.070 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.356 -7.210 5.381 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.043 -8.466 6.995 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.179 -8.352 6.181 1.00 0.00 C ATOM 257 OH TYR A 38 -7.083 -9.369 6.174 1.00 0.00 O ATOM 0 H TYR A 38 -1.774 -3.487 6.970 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.598 -4.010 4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.624 -5.257 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.134 -4.681 7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.603 -5.248 4.884 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.239 -7.510 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.186 -7.156 4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.876 -9.368 7.565 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.939 -9.043 5.826 1.00 0.00 H new ATOM 258 N LYS A 39 -4.773 -2.346 7.508 1.00 0.00 N ATOM 259 CA LYS A 39 -5.826 -1.499 8.060 1.00 0.00 C ATOM 260 C LYS A 39 -6.062 -0.297 7.144 1.00 0.00 C ATOM 261 O LYS A 39 -7.181 -0.023 6.708 1.00 0.00 O ATOM 262 CB LYS A 39 -5.397 -1.091 9.477 1.00 0.00 C ATOM 263 CG LYS A 39 -6.440 -0.305 10.278 1.00 0.00 C ATOM 264 CD LYS A 39 -5.831 0.228 11.588 1.00 0.00 C ATOM 265 CE LYS A 39 -5.163 -0.876 12.422 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.703 -0.378 13.729 1.00 0.00 N ATOM 0 H LYS A 39 -4.018 -2.520 8.171 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.777 -2.028 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.139 -1.992 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.490 -0.490 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.814 0.526 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.293 -0.946 10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.095 0.998 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.613 0.703 12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.868 -1.693 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.316 -1.284 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.184 -1.131 14.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.076 0.440 13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.524 -0.090 14.299 1.00 0.00 H new ATOM 267 N LYS A 40 -4.983 0.415 6.840 1.00 0.00 N ATOM 268 CA LYS A 40 -4.960 1.570 5.988 1.00 0.00 C ATOM 269 C LYS A 40 -5.494 1.194 4.602 1.00 0.00 C ATOM 270 O LYS A 40 -6.386 1.863 4.074 1.00 0.00 O ATOM 271 CB LYS A 40 -3.505 2.030 5.961 1.00 0.00 C ATOM 272 CG LYS A 40 -3.023 2.663 7.280 1.00 0.00 C ATOM 273 CD LYS A 40 -3.477 4.118 7.423 1.00 0.00 C ATOM 274 CE LYS A 40 -2.935 4.755 8.703 1.00 0.00 C ATOM 275 NZ LYS A 40 -3.318 6.176 8.779 1.00 0.00 N ATOM 0 H LYS A 40 -4.060 0.180 7.206 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.597 2.380 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.869 1.176 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.378 2.753 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.403 2.081 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.935 2.617 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.139 4.691 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.566 4.161 7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.321 4.222 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.849 4.664 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.609 6.697 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.369 6.574 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.247 6.261 9.238 1.00 0.00 H new ATOM 276 N MET A 41 -4.979 0.108 4.011 1.00 0.00 N ATOM 277 CA MET A 41 -5.463 -0.328 2.716 1.00 0.00 C ATOM 278 C MET A 41 -6.938 -0.687 2.796 1.00 0.00 C ATOM 279 O MET A 41 -7.653 -0.408 1.849 1.00 0.00 O ATOM 280 CB MET A 41 -4.679 -1.528 2.201 1.00 0.00 C ATOM 281 CG MET A 41 -3.400 -1.073 1.503 1.00 0.00 C ATOM 282 SD MET A 41 -2.505 -2.381 0.632 1.00 0.00 S ATOM 283 CE MET A 41 -1.987 -3.358 2.052 1.00 0.00 C ATOM 0 H MET A 41 -4.239 -0.470 4.410 1.00 0.00 H new ATOM 0 HA MET A 41 -5.324 0.500 2.020 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.431 -2.191 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.294 -2.101 1.507 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.651 -0.288 0.790 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.736 -0.630 2.245 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.169 -4.018 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.651 -2.693 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.826 -3.956 2.408 1.00 0.00 H new ATOM 284 N LYS A 42 -7.409 -1.310 3.877 1.00 0.00 N ATOM 285 CA LYS A 42 -8.817 -1.648 4.017 1.00 0.00 C ATOM 286 C LYS A 42 -9.608 -0.339 3.959 1.00 0.00 C ATOM 287 O LYS A 42 -10.632 -0.254 3.287 1.00 0.00 O ATOM 288 CB LYS A 42 -9.055 -2.427 5.320 1.00 0.00 C ATOM 289 CG LYS A 42 -10.421 -3.128 5.351 1.00 0.00 C ATOM 290 CD LYS A 42 -10.457 -4.365 4.439 1.00 0.00 C ATOM 291 CE LYS A 42 -11.775 -5.135 4.585 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.924 -4.365 4.075 1.00 0.00 N ATOM 0 H LYS A 42 -6.830 -1.590 4.669 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.151 -2.303 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.267 -3.170 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.983 -1.743 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.652 -3.425 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.195 -2.426 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.328 -4.057 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.622 -5.022 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.704 -6.080 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.939 -5.378 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.805 -4.876 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.948 -3.432 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.831 -4.243 3.046 1.00 0.00 H new ATOM 293 N GLY A 43 -9.106 0.699 4.634 1.00 0.00 N ATOM 294 CA GLY A 43 -9.722 2.008 4.611 1.00 0.00 C ATOM 295 C GLY A 43 -9.855 2.514 3.176 1.00 0.00 C ATOM 296 O GLY A 43 -10.959 2.851 2.757 1.00 0.00 O ATOM 0 H GLY A 43 -8.264 0.645 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.706 1.961 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.124 2.708 5.195 1.00 0.00 H new ATOM 297 N TYR A 44 -8.753 2.569 2.414 1.00 0.00 N ATOM 298 CA TYR A 44 -8.817 3.039 1.032 1.00 0.00 C ATOM 299 C TYR A 44 -9.735 2.124 0.208 1.00 0.00 C ATOM 300 O TYR A 44 -10.597 2.603 -0.525 1.00 0.00 O ATOM 301 CB TYR A 44 -7.407 3.097 0.420 1.00 0.00 C ATOM 302 CG TYR A 44 -6.423 4.108 0.988 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.840 5.386 1.403 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.045 3.831 0.930 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.918 6.270 1.985 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.112 4.777 1.384 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.549 5.959 1.995 1.00 0.00 C ATOM 308 OH TYR A 44 -3.663 6.814 2.586 1.00 0.00 O ATOM 0 H TYR A 44 -7.822 2.297 2.730 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.233 4.047 1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.961 2.107 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.514 3.298 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.869 5.687 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.703 2.886 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.263 7.193 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.055 4.593 1.262 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.860 6.879 3.544 1.00 0.00 H new ATOM 309 N ALA A 45 -9.576 0.806 0.355 1.00 0.00 N ATOM 310 CA ALA A 45 -10.345 -0.228 -0.325 1.00 0.00 C ATOM 311 C ALA A 45 -11.840 0.050 -0.155 1.00 0.00 C ATOM 312 O ALA A 45 -12.600 -0.009 -1.119 1.00 0.00 O ATOM 313 CB ALA A 45 -10.031 -1.612 0.250 1.00 0.00 C ATOM 0 H ALA A 45 -8.872 0.417 0.983 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.075 -0.214 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.618 -2.366 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.970 -1.826 0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.282 -1.631 1.311 1.00 0.00 H new ATOM 314 N ASP A 46 -12.248 0.379 1.077 1.00 0.00 N ATOM 315 CA ASP A 46 -13.641 0.641 1.421 1.00 0.00 C ATOM 316 C ASP A 46 -14.014 2.117 1.250 1.00 0.00 C ATOM 317 O ASP A 46 -15.133 2.498 1.583 1.00 0.00 O ATOM 318 CB ASP A 46 -13.886 0.226 2.883 1.00 0.00 C ATOM 319 CG ASP A 46 -13.640 -1.253 3.175 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.582 -2.050 2.212 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.530 -1.571 4.380 1.00 0.00 O ATOM 0 H ASP A 46 -11.610 0.470 1.867 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.265 0.060 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.241 0.822 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.915 0.469 3.148 1.00 0.00 H new ATOM 322 N GLY A 47 -13.105 2.965 0.759 1.00 0.00 N ATOM 323 CA GLY A 47 -13.356 4.392 0.604 1.00 0.00 C ATOM 324 C GLY A 47 -13.678 5.057 1.949 1.00 0.00 C ATOM 325 O GLY A 47 -14.368 6.072 1.989 1.00 0.00 O ATOM 0 H GLY A 47 -12.174 2.676 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.482 4.870 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.186 4.543 -0.086 1.00 0.00 H new ATOM 326 N SER A 48 -13.157 4.497 3.047 1.00 0.00 N ATOM 327 CA SER A 48 -13.349 4.965 4.414 1.00 0.00 C ATOM 328 C SER A 48 -12.072 5.622 4.955 1.00 0.00 C ATOM 329 O SER A 48 -11.895 5.722 6.168 1.00 0.00 O ATOM 330 CB SER A 48 -13.763 3.765 5.274 1.00 0.00 C ATOM 331 OG SER A 48 -14.109 4.185 6.578 1.00 0.00 O ATOM 0 H SER A 48 -12.564 3.668 2.999 1.00 0.00 H new ATOM 0 HA SER A 48 -14.130 5.725 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.609 3.255 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.945 3.046 5.322 1.00 0.00 H new ATOM 0 HG SER A 48 -13.475 4.869 6.880 1.00 0.00 H new ATOM 332 N TYR A 49 -11.179 6.042 4.060 1.00 0.00 N ATOM 333 CA TYR A 49 -9.913 6.703 4.323 1.00 0.00 C ATOM 334 C TYR A 49 -9.528 7.307 2.973 1.00 0.00 C ATOM 335 O TYR A 49 -9.953 6.773 1.948 1.00 0.00 O ATOM 336 CB TYR A 49 -8.872 5.679 4.816 1.00 0.00 C ATOM 337 CG TYR A 49 -7.464 6.180 5.108 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.226 7.471 5.622 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.372 5.322 4.874 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.906 7.921 5.812 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.055 5.773 5.069 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.823 7.068 5.559 1.00 0.00 C ATOM 343 OH TYR A 49 -3.562 7.503 5.839 1.00 0.00 O ATOM 0 H TYR A 49 -11.339 5.917 3.060 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.971 7.462 5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.259 5.220 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.798 4.890 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.057 8.115 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.548 4.309 4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.727 8.929 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.222 5.124 4.842 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.916 6.802 5.612 1.00 0.00 H new ATOM 372 N LYS A 54 -4.187 10.213 -1.964 1.00 0.00 N ATOM 373 CA LYS A 54 -4.741 8.915 -1.770 1.00 0.00 C ATOM 374 C LYS A 54 -5.780 8.538 -2.836 1.00 0.00 C ATOM 375 O LYS A 54 -6.245 7.401 -2.833 1.00 0.00 O ATOM 376 CB LYS A 54 -5.365 8.895 -0.386 1.00 0.00 C ATOM 377 CG LYS A 54 -4.417 9.111 0.801 1.00 0.00 C ATOM 378 CD LYS A 54 -3.979 10.547 1.113 1.00 0.00 C ATOM 379 CE LYS A 54 -3.885 10.750 2.634 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.028 9.739 3.284 1.00 0.00 N ATOM 0 HA LYS A 54 -3.947 8.174 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.136 9.664 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.865 7.936 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.898 8.706 1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.520 8.518 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.013 10.750 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.691 11.254 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.490 11.745 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.885 10.707 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.913 9.976 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.470 8.802 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.096 9.726 2.823 1.00 0.00 H new ATOM 381 N ALA A 55 -6.197 9.448 -3.725 1.00 0.00 N ATOM 382 CA ALA A 55 -7.133 9.078 -4.780 1.00 0.00 C ATOM 383 C ALA A 55 -6.489 7.976 -5.630 1.00 0.00 C ATOM 384 O ALA A 55 -7.122 6.971 -5.961 1.00 0.00 O ATOM 385 CB ALA A 55 -7.472 10.307 -5.628 1.00 0.00 C ATOM 0 H ALA A 55 -5.905 10.425 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.064 8.704 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.172 10.025 -6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.925 11.071 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.561 10.702 -6.077 1.00 0.00 H new ATOM 386 N MET A 56 -5.200 8.158 -5.942 1.00 0.00 N ATOM 387 CA MET A 56 -4.426 7.198 -6.713 1.00 0.00 C ATOM 388 C MET A 56 -4.400 5.874 -5.946 1.00 0.00 C ATOM 389 O MET A 56 -4.660 4.814 -6.513 1.00 0.00 O ATOM 390 CB MET A 56 -3.013 7.750 -6.950 1.00 0.00 C ATOM 391 CG MET A 56 -3.054 9.044 -7.775 1.00 0.00 C ATOM 392 SD MET A 56 -1.434 9.744 -8.180 1.00 0.00 S ATOM 393 CE MET A 56 -1.952 11.197 -9.118 1.00 0.00 C ATOM 0 H MET A 56 -4.669 8.982 -5.662 1.00 0.00 H new ATOM 0 HA MET A 56 -4.877 7.026 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.529 7.941 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.410 7.004 -7.468 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.591 8.849 -8.703 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.628 9.790 -7.225 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.072 11.750 -9.448 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.530 10.882 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.567 11.838 -8.486 1.00 0.00 H new ATOM 394 N MET A 57 -4.119 5.951 -4.642 1.00 0.00 N ATOM 395 CA MET A 57 -4.088 4.792 -3.765 1.00 0.00 C ATOM 396 C MET A 57 -5.411 4.041 -3.853 1.00 0.00 C ATOM 397 O MET A 57 -5.433 2.870 -4.206 1.00 0.00 O ATOM 398 CB MET A 57 -3.795 5.239 -2.326 1.00 0.00 C ATOM 399 CG MET A 57 -2.289 5.318 -2.063 1.00 0.00 C ATOM 400 SD MET A 57 -1.417 3.762 -2.360 1.00 0.00 S ATOM 401 CE MET A 57 -2.374 2.587 -1.370 1.00 0.00 C ATOM 0 H MET A 57 -3.906 6.829 -4.168 1.00 0.00 H new ATOM 0 HA MET A 57 -3.294 4.115 -4.079 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.249 6.213 -2.146 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.252 4.540 -1.626 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.858 6.093 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.125 5.625 -1.030 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.031 1.573 -1.576 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.238 2.808 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.430 2.672 -1.625 1.00 0.00 H new ATOM 402 N THR A 58 -6.517 4.708 -3.541 1.00 0.00 N ATOM 403 CA THR A 58 -7.862 4.171 -3.612 1.00 0.00 C ATOM 404 C THR A 58 -8.050 3.436 -4.941 1.00 0.00 C ATOM 405 O THR A 58 -8.502 2.294 -4.948 1.00 0.00 O ATOM 406 CB THR A 58 -8.858 5.328 -3.433 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.566 6.023 -2.235 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.295 4.821 -3.344 1.00 0.00 C ATOM 0 H THR A 58 -6.495 5.676 -3.219 1.00 0.00 H new ATOM 0 HA THR A 58 -8.039 3.445 -2.818 1.00 0.00 H new ATOM 0 HB THR A 58 -8.762 5.981 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.844 6.666 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.972 5.666 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.549 4.286 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.391 4.148 -2.492 1.00 0.00 H new ATOM 409 N ASN A 59 -7.667 4.055 -6.062 1.00 0.00 N ATOM 410 CA ASN A 59 -7.791 3.408 -7.367 1.00 0.00 C ATOM 411 C ASN A 59 -6.922 2.142 -7.429 1.00 0.00 C ATOM 412 O ASN A 59 -7.357 1.123 -7.966 1.00 0.00 O ATOM 413 CB ASN A 59 -7.393 4.393 -8.476 1.00 0.00 C ATOM 414 CG ASN A 59 -7.842 3.985 -9.884 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.999 4.846 -10.742 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.066 2.704 -10.173 1.00 0.00 N ATOM 0 H ASN A 59 -7.272 4.995 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.829 3.111 -7.516 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.815 5.371 -8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.309 4.504 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.369 2.438 -11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.935 1.989 -9.457 1.00 0.00 H new ATOM 417 N ALA A 60 -5.693 2.207 -6.914 1.00 0.00 N ATOM 418 CA ALA A 60 -4.743 1.099 -6.904 1.00 0.00 C ATOM 419 C ALA A 60 -5.173 -0.038 -5.968 1.00 0.00 C ATOM 420 O ALA A 60 -4.821 -1.193 -6.190 1.00 0.00 O ATOM 421 CB ALA A 60 -3.378 1.638 -6.459 1.00 0.00 C ATOM 0 H ALA A 60 -5.324 3.054 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.697 0.683 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.653 0.825 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.046 2.408 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.464 2.065 -5.460 1.00 0.00 H new ATOM 422 N VAL A 61 -5.934 0.293 -4.927 1.00 0.00 N ATOM 423 CA VAL A 61 -6.382 -0.607 -3.877 1.00 0.00 C ATOM 424 C VAL A 61 -7.750 -1.239 -4.149 1.00 0.00 C ATOM 425 O VAL A 61 -7.915 -2.430 -3.901 1.00 0.00 O ATOM 426 CB VAL A 61 -6.366 0.212 -2.577 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.005 -0.482 -1.387 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.928 0.502 -2.149 1.00 0.00 C ATOM 0 H VAL A 61 -6.270 1.246 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.714 -1.466 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.937 1.108 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.949 0.168 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.049 -0.700 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.476 -1.413 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.933 1.083 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.401 -0.438 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.423 1.068 -2.931 1.00 0.00 H new ATOM 429 N LYS A 62 -8.741 -0.485 -4.635 1.00 0.00 N ATOM 430 CA LYS A 62 -10.086 -1.012 -4.882 1.00 0.00 C ATOM 431 C LYS A 62 -10.091 -2.235 -5.803 1.00 0.00 C ATOM 432 O LYS A 62 -10.992 -3.064 -5.725 1.00 0.00 O ATOM 433 CB LYS A 62 -10.984 0.096 -5.448 1.00 0.00 C ATOM 434 CG LYS A 62 -11.507 0.959 -4.298 1.00 0.00 C ATOM 435 CD LYS A 62 -12.557 1.964 -4.790 1.00 0.00 C ATOM 436 CE LYS A 62 -13.221 2.711 -3.624 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.065 1.826 -2.802 1.00 0.00 N ATOM 0 H LYS A 62 -8.634 0.502 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.480 -1.350 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.423 0.710 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.817 -0.341 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.943 0.320 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.678 1.493 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.086 2.682 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.319 1.440 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.451 3.160 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.828 3.527 -4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.659 2.401 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.672 1.252 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.460 1.200 -2.233 1.00 0.00 H new ATOM 438 N LYS A 63 -9.098 -2.342 -6.683 1.00 0.00 N ATOM 439 CA LYS A 63 -8.971 -3.481 -7.586 1.00 0.00 C ATOM 440 C LYS A 63 -8.590 -4.771 -6.833 1.00 0.00 C ATOM 441 O LYS A 63 -8.655 -5.852 -7.414 1.00 0.00 O ATOM 442 CB LYS A 63 -7.964 -3.153 -8.699 1.00 0.00 C ATOM 443 CG LYS A 63 -6.618 -2.629 -8.180 1.00 0.00 C ATOM 444 CD LYS A 63 -5.533 -2.646 -9.266 1.00 0.00 C ATOM 445 CE LYS A 63 -5.888 -1.799 -10.496 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.068 -0.375 -10.160 1.00 0.00 N ATOM 0 H LYS A 63 -8.362 -1.644 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.943 -3.668 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.790 -4.049 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.401 -2.409 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.744 -1.611 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.294 -3.237 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.598 -2.281 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.360 -3.675 -9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.100 -1.897 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.803 -2.182 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.405 0.140 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.766 -0.285 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.160 0.026 -9.850 1.00 0.00 H new ATOM 447 N TYR A 64 -8.160 -4.674 -5.570 1.00 0.00 N ATOM 448 CA TYR A 64 -7.789 -5.774 -4.716 1.00 0.00 C ATOM 449 C TYR A 64 -8.931 -6.013 -3.732 1.00 0.00 C ATOM 450 O TYR A 64 -10.009 -5.432 -3.818 1.00 0.00 O ATOM 451 CB TYR A 64 -6.452 -5.424 -4.040 1.00 0.00 C ATOM 452 CG TYR A 64 -5.294 -5.115 -4.980 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.157 -5.781 -6.215 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.287 -4.224 -4.565 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.015 -5.576 -7.006 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.128 -4.053 -5.342 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.969 -4.762 -6.544 1.00 0.00 C ATOM 458 OH TYR A 64 -1.804 -4.713 -7.256 1.00 0.00 O ATOM 0 H TYR A 64 -8.061 -3.772 -5.105 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.637 -6.704 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.609 -4.562 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.162 -6.256 -3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.933 -6.451 -6.554 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.405 -3.669 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.941 -6.047 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.356 -3.373 -5.013 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.061 -5.006 -6.688 1.00 0.00 H new ATOM 459 N SER A 65 -8.679 -6.915 -2.799 1.00 0.00 N ATOM 460 CA SER A 65 -9.592 -7.353 -1.764 1.00 0.00 C ATOM 461 C SER A 65 -8.764 -7.903 -0.620 1.00 0.00 C ATOM 462 O SER A 65 -7.576 -8.159 -0.787 1.00 0.00 O ATOM 463 CB SER A 65 -10.539 -8.405 -2.327 1.00 0.00 C ATOM 464 OG SER A 65 -11.360 -8.945 -1.307 1.00 0.00 O ATOM 0 H SER A 65 -7.777 -7.388 -2.743 1.00 0.00 H new ATOM 0 HA SER A 65 -10.203 -6.526 -1.401 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.162 -7.961 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.964 -9.203 -2.797 1.00 0.00 H new ATOM 0 HG SER A 65 -11.961 -9.617 -1.692 1.00 0.00 H new ATOM 465 N ASP A 66 -9.425 -8.084 0.518 1.00 0.00 N ATOM 466 CA ASP A 66 -8.881 -8.529 1.794 1.00 0.00 C ATOM 467 C ASP A 66 -7.662 -9.448 1.684 1.00 0.00 C ATOM 468 O ASP A 66 -6.631 -9.169 2.289 1.00 0.00 O ATOM 469 CB ASP A 66 -10.001 -9.214 2.583 1.00 0.00 C ATOM 470 CG ASP A 66 -9.494 -9.672 3.941 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.326 -8.787 4.809 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.249 -10.888 4.080 1.00 0.00 O ATOM 0 H ASP A 66 -10.428 -7.911 0.576 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.513 -7.643 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.835 -8.525 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.378 -10.069 2.022 1.00 0.00 H new ATOM 473 N GLU A 67 -7.769 -10.527 0.908 1.00 0.00 N ATOM 474 CA GLU A 67 -6.678 -11.485 0.755 1.00 0.00 C ATOM 475 C GLU A 67 -5.448 -10.817 0.130 1.00 0.00 C ATOM 476 O GLU A 67 -4.333 -10.906 0.646 1.00 0.00 O ATOM 477 CB GLU A 67 -7.172 -12.671 -0.086 1.00 0.00 C ATOM 478 CG GLU A 67 -6.115 -13.779 -0.189 1.00 0.00 C ATOM 479 CD GLU A 67 -6.660 -14.989 -0.940 1.00 0.00 C ATOM 480 OE1 GLU A 67 -7.264 -15.850 -0.263 1.00 0.00 O ATOM 481 OE2 GLU A 67 -6.475 -15.025 -2.175 1.00 0.00 O ATOM 0 H GLU A 67 -8.606 -10.759 0.373 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.371 -11.853 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.081 -13.077 0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.432 -12.324 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.232 -13.397 -0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.800 -14.079 0.810 1.00 0.00 H new ATOM 482 N GLU A 68 -5.655 -10.145 -1.000 1.00 0.00 N ATOM 483 CA GLU A 68 -4.610 -9.458 -1.728 1.00 0.00 C ATOM 484 C GLU A 68 -4.044 -8.331 -0.861 1.00 0.00 C ATOM 485 O GLU A 68 -2.833 -8.146 -0.794 1.00 0.00 O ATOM 486 CB GLU A 68 -5.189 -8.920 -3.043 1.00 0.00 C ATOM 487 CG GLU A 68 -5.568 -10.015 -4.055 1.00 0.00 C ATOM 488 CD GLU A 68 -6.798 -10.834 -3.664 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.660 -10.276 -2.947 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.858 -12.006 -4.089 1.00 0.00 O ATOM 0 H GLU A 68 -6.573 -10.066 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.795 -10.142 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.074 -8.323 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.460 -8.252 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.748 -9.551 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.721 -10.690 -4.177 1.00 0.00 H new ATOM 491 N LEU A 69 -4.914 -7.574 -0.190 1.00 0.00 N ATOM 492 CA LEU A 69 -4.511 -6.485 0.683 1.00 0.00 C ATOM 493 C LEU A 69 -3.618 -7.027 1.807 1.00 0.00 C ATOM 494 O LEU A 69 -2.557 -6.469 2.087 1.00 0.00 O ATOM 495 CB LEU A 69 -5.767 -5.789 1.219 1.00 0.00 C ATOM 496 CG LEU A 69 -6.641 -5.138 0.136 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.845 -4.463 0.799 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.861 -4.126 -0.701 1.00 0.00 C ATOM 0 H LEU A 69 -5.924 -7.705 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.925 -5.747 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.367 -6.518 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.467 -5.024 1.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.979 -5.921 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.469 -3.999 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.428 -5.209 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.497 -3.700 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.519 -3.692 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.479 -3.336 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.028 -4.627 -1.194 1.00 0.00 H new ATOM 499 N LYS A 70 -4.026 -8.129 2.440 1.00 0.00 N ATOM 500 CA LYS A 70 -3.252 -8.774 3.491 1.00 0.00 C ATOM 501 C LYS A 70 -1.878 -9.162 2.930 1.00 0.00 C ATOM 502 O LYS A 70 -0.852 -8.864 3.541 1.00 0.00 O ATOM 503 CB LYS A 70 -4.004 -10.026 3.961 1.00 0.00 C ATOM 504 CG LYS A 70 -3.261 -10.790 5.065 1.00 0.00 C ATOM 505 CD LYS A 70 -4.115 -11.934 5.633 1.00 0.00 C ATOM 506 CE LYS A 70 -4.626 -12.916 4.569 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.545 -13.416 3.700 1.00 0.00 N ATOM 0 H LYS A 70 -4.908 -8.598 2.233 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.116 -8.098 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.989 -9.736 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.162 -10.689 3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.330 -11.193 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.993 -10.102 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.526 -12.483 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.969 -11.509 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.113 -13.759 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.382 -12.424 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.928 -14.126 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.141 -12.625 3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.803 -13.850 4.285 1.00 0.00 H new ATOM 508 N ALA A 71 -1.858 -9.832 1.769 1.00 0.00 N ATOM 509 CA ALA A 71 -0.630 -10.270 1.115 1.00 0.00 C ATOM 510 C ALA A 71 0.275 -9.067 0.868 1.00 0.00 C ATOM 511 O ALA A 71 1.473 -9.104 1.150 1.00 0.00 O ATOM 512 CB ALA A 71 -0.975 -10.995 -0.189 1.00 0.00 C ATOM 0 H ALA A 71 -2.704 -10.084 1.258 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.092 -10.968 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.057 -11.322 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.598 -11.862 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.516 -10.318 -0.850 1.00 0.00 H new ATOM 513 N LEU A 72 -0.296 -7.977 0.357 1.00 0.00 N ATOM 514 CA LEU A 72 0.472 -6.784 0.096 1.00 0.00 C ATOM 515 C LEU A 72 1.076 -6.225 1.369 1.00 0.00 C ATOM 516 O LEU A 72 2.258 -5.899 1.383 1.00 0.00 O ATOM 517 CB LEU A 72 -0.463 -5.750 -0.503 1.00 0.00 C ATOM 518 CG LEU A 72 -0.529 -6.010 -1.992 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.517 -5.019 -2.553 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.844 -5.747 -2.600 1.00 0.00 C ATOM 0 H LEU A 72 -1.285 -7.906 0.120 1.00 0.00 H new ATOM 0 HA LEU A 72 1.288 -7.027 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.454 -5.824 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.098 -4.742 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.825 -7.036 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.604 -5.162 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.490 -5.172 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.172 -4.006 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.808 -5.931 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.130 -4.711 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.578 -6.411 -2.142 1.00 0.00 H new ATOM 521 N ALA A 73 0.268 -6.069 2.419 1.00 0.00 N ATOM 522 CA ALA A 73 0.778 -5.532 3.667 1.00 0.00 C ATOM 523 C ALA A 73 1.879 -6.437 4.196 1.00 0.00 C ATOM 524 O ALA A 73 2.883 -5.941 4.694 1.00 0.00 O ATOM 525 CB ALA A 73 -0.337 -5.432 4.706 1.00 0.00 C ATOM 0 H ALA A 73 -0.724 -6.304 2.425 1.00 0.00 H new ATOM 0 HA ALA A 73 1.174 -4.534 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.066 -5.027 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.123 -4.774 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.751 -6.423 4.892 1.00 0.00 H new ATOM 526 N ASP A 74 1.691 -7.758 4.113 1.00 0.00 N ATOM 527 CA ASP A 74 2.712 -8.698 4.542 1.00 0.00 C ATOM 528 C ASP A 74 3.996 -8.388 3.769 1.00 0.00 C ATOM 529 O ASP A 74 5.065 -8.300 4.367 1.00 0.00 O ATOM 530 CB ASP A 74 2.242 -10.138 4.317 1.00 0.00 C ATOM 531 CG ASP A 74 3.313 -11.133 4.746 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.636 -11.134 5.953 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.794 -11.870 3.859 1.00 0.00 O ATOM 0 H ASP A 74 0.841 -8.192 3.753 1.00 0.00 H new ATOM 0 HA ASP A 74 2.905 -8.596 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.326 -10.318 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.003 -10.286 3.264 1.00 0.00 H new ATOM 534 N TYR A 75 3.895 -8.186 2.448 1.00 0.00 N ATOM 535 CA TYR A 75 5.058 -7.846 1.642 1.00 0.00 C ATOM 536 C TYR A 75 5.672 -6.531 2.123 1.00 0.00 C ATOM 537 O TYR A 75 6.827 -6.517 2.543 1.00 0.00 O ATOM 538 CB TYR A 75 4.726 -7.811 0.155 1.00 0.00 C ATOM 539 CG TYR A 75 5.974 -7.561 -0.668 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.948 -8.574 -0.751 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.307 -6.250 -1.058 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.221 -8.298 -1.276 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.588 -5.971 -1.566 1.00 0.00 C ATOM 544 CZ TYR A 75 8.540 -6.994 -1.685 1.00 0.00 C ATOM 545 OH TYR A 75 9.781 -6.707 -2.169 1.00 0.00 O ATOM 0 H TYR A 75 3.022 -8.253 1.925 1.00 0.00 H new ATOM 0 HA TYR A 75 5.802 -8.632 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.271 -8.756 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.993 -7.028 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.714 -9.571 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.578 -5.458 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.953 -9.087 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.840 -4.965 -1.866 1.00 0.00 H new ATOM 0 HH TYR A 75 9.828 -5.757 -2.406 1.00 0.00 H new ATOM 546 N MET A 76 4.920 -5.426 2.064 1.00 0.00 N ATOM 547 CA MET A 76 5.412 -4.129 2.521 1.00 0.00 C ATOM 548 C MET A 76 6.054 -4.199 3.913 1.00 0.00 C ATOM 549 O MET A 76 7.111 -3.620 4.140 1.00 0.00 O ATOM 550 CB MET A 76 4.251 -3.136 2.517 1.00 0.00 C ATOM 551 CG MET A 76 4.012 -2.590 1.113 1.00 0.00 C ATOM 552 SD MET A 76 2.602 -1.464 0.999 1.00 0.00 S ATOM 553 CE MET A 76 1.260 -2.654 1.074 1.00 0.00 C ATOM 0 H MET A 76 3.966 -5.408 1.703 1.00 0.00 H new ATOM 0 HA MET A 76 6.196 -3.801 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.347 -3.624 2.881 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.467 -2.314 3.200 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.909 -2.069 0.778 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.855 -3.425 0.430 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.432 -2.308 0.456 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.608 -3.619 0.706 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.924 -2.759 2.106 1.00 0.00 H new ATOM 554 N SER A 77 5.452 -4.936 4.844 1.00 0.00 N ATOM 555 CA SER A 77 5.966 -5.043 6.202 1.00 0.00 C ATOM 556 C SER A 77 7.327 -5.741 6.278 1.00 0.00 C ATOM 557 O SER A 77 7.922 -5.715 7.354 1.00 0.00 O ATOM 558 CB SER A 77 4.953 -5.773 7.083 1.00 0.00 C ATOM 559 OG SER A 77 5.243 -5.554 8.455 1.00 0.00 O ATOM 0 H SER A 77 4.600 -5.471 4.677 1.00 0.00 H new ATOM 0 HA SER A 77 6.116 -4.026 6.565 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.946 -5.423 6.857 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.975 -6.841 6.866 1.00 0.00 H new ATOM 0 HG SER A 77 6.214 -5.546 8.587 1.00 0.00 H new ATOM 560 N LYS A 78 7.790 -6.413 5.214 1.00 0.00 N ATOM 561 CA LYS A 78 9.100 -7.054 5.213 1.00 0.00 C ATOM 562 C LYS A 78 10.182 -6.096 4.690 1.00 0.00 C ATOM 563 O LYS A 78 11.347 -6.488 4.653 1.00 0.00 O ATOM 564 CB LYS A 78 9.054 -8.360 4.404 1.00 0.00 C ATOM 565 CG LYS A 78 8.269 -9.438 5.168 1.00 0.00 C ATOM 566 CD LYS A 78 8.407 -10.831 4.534 1.00 0.00 C ATOM 567 CE LYS A 78 7.775 -10.938 3.142 1.00 0.00 C ATOM 568 NZ LYS A 78 6.320 -10.719 3.188 1.00 0.00 N ATOM 0 H LYS A 78 7.270 -6.523 4.344 1.00 0.00 H new ATOM 0 HA LYS A 78 9.366 -7.307 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.587 -8.179 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.068 -8.710 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.621 -9.476 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.215 -9.160 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.464 -11.086 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.944 -11.567 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.233 -10.206 2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.982 -11.923 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.929 -10.782 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.879 -11.444 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.123 -9.776 3.581 1.00 0.00 H new ATOM 569 N LEU A 79 9.820 -4.885 4.246 1.00 0.00 N ATOM 570 CA LEU A 79 10.807 -3.906 3.800 1.00 0.00 C ATOM 571 C LEU A 79 11.646 -3.452 5.000 1.00 0.00 C ATOM 572 O LEU A 79 11.034 -3.193 6.061 1.00 0.00 O ATOM 573 CB LEU A 79 10.101 -2.676 3.224 1.00 0.00 C ATOM 574 CG LEU A 79 9.710 -2.696 1.749 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.070 -3.984 1.324 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.675 -1.613 1.444 1.00 0.00 C ATOM 577 OXT LEU A 79 12.870 -3.278 4.818 1.00 0.00 O ATOM 0 H LEU A 79 8.853 -4.565 4.188 1.00 0.00 H new ATOM 0 HA LEU A 79 11.438 -4.365 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.195 -2.508 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.748 -1.814 3.386 1.00 0.00 H new ATOM 0 HG LEU A 79 10.647 -2.544 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.816 -3.932 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.764 -4.808 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.164 -4.149 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.413 -1.648 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.782 -1.784 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.091 -0.634 1.682 1.00 0.00 H new