USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 11 SER OG : rot 160:sc= -1.25 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.0657 X(o=-1.3,f=-1.2) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 136:sc= 0.464 (180deg=-1.93!) USER MOD Set 2.2: A 40 TYR OH : rot 30:sc= 0.846 USER MOD Single : A 0 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 2 MET CE :methyl -134:sc= -0.637 (180deg=-3.13!) USER MOD Single : A 3 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.451 X(o=0.45,f=-0.0051) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= -0.146 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.086) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0524 (180deg=-0.32) USER MOD Single : A 33 GLN : amide:sc= -0.66! C(o=-0.66!,f=-0.66!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 150:sc= -0.175 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 49 ASN : amide:sc= -0.579 K(o=-0.58,f=-3.2!) USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.769 USER MOD Single : A 59 SER OG : rot -34:sc= -0.949 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -141:sc= -4.32! (180deg=-8.37!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 74 SER OG : rot -77:sc= 0.26 USER MOD Single : A 76 SER OG : rot 62:sc= 0.213 USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0629 (180deg=-0.35) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 26:sc= 1.23 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 24.318 6.825 9.876 1.00 0.00 N ATOM 2 CA GLY A -5 24.269 6.757 8.427 1.00 0.00 C ATOM 3 C GLY A -5 22.852 6.769 7.892 1.00 0.00 C ATOM 4 O GLY A -5 22.053 5.889 8.213 1.00 0.00 O ATOM 0 H1 GLY A -5 25.309 6.814 10.191 1.00 0.00 H new ATOM 0 H2 GLY A -5 23.862 7.703 10.198 1.00 0.00 H new ATOM 0 H3 GLY A -5 23.818 6.007 10.279 1.00 0.00 H new ATOM 0 HA2 GLY A -5 24.819 7.600 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A -5 24.772 5.850 8.092 1.00 0.00 H new ATOM 8 N SER A -4 22.537 7.769 7.075 1.00 0.00 N ATOM 9 CA SER A -4 21.203 7.896 6.500 1.00 0.00 C ATOM 10 C SER A -4 20.947 6.793 5.476 1.00 0.00 C ATOM 11 O SER A -4 19.946 6.081 5.552 1.00 0.00 O ATOM 12 CB SER A -4 21.036 9.267 5.844 1.00 0.00 C ATOM 13 OG SER A -4 21.992 9.459 4.815 1.00 0.00 O ATOM 0 H SER A -4 23.188 8.503 6.796 1.00 0.00 H new ATOM 0 HA SER A -4 20.475 7.797 7.305 1.00 0.00 H new ATOM 0 HB2 SER A -4 20.031 9.357 5.432 1.00 0.00 H new ATOM 0 HB3 SER A -4 21.144 10.049 6.596 1.00 0.00 H new ATOM 0 HG SER A -4 21.864 10.342 4.410 1.00 0.00 H new ATOM 19 N SER A -3 21.859 6.661 4.519 1.00 0.00 N ATOM 20 CA SER A -3 21.732 5.650 3.475 1.00 0.00 C ATOM 21 C SER A -3 20.348 5.702 2.834 1.00 0.00 C ATOM 22 O SER A -3 19.728 4.669 2.583 1.00 0.00 O ATOM 23 CB SER A -3 21.985 4.256 4.054 1.00 0.00 C ATOM 24 OG SER A -3 22.514 3.384 3.069 1.00 0.00 O ATOM 0 H SER A -3 22.694 7.241 4.444 1.00 0.00 H new ATOM 0 HA SER A -3 22.477 5.859 2.708 1.00 0.00 H new ATOM 0 HB2 SER A -3 22.678 4.327 4.892 1.00 0.00 H new ATOM 0 HB3 SER A -3 21.054 3.846 4.445 1.00 0.00 H new ATOM 0 HG SER A -3 22.669 2.500 3.463 1.00 0.00 H new ATOM 30 N GLY A -2 19.869 6.915 2.572 1.00 0.00 N ATOM 31 CA GLY A -2 18.564 7.081 1.962 1.00 0.00 C ATOM 32 C GLY A -2 18.620 7.885 0.678 1.00 0.00 C ATOM 33 O GLY A -2 17.768 8.738 0.434 1.00 0.00 O ATOM 0 H GLY A -2 20.362 7.785 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.137 6.100 1.754 1.00 0.00 H new ATOM 0 HA3 GLY A -2 17.897 7.576 2.668 1.00 0.00 H new ATOM 37 N SER A -1 19.629 7.612 -0.144 1.00 0.00 N ATOM 38 CA SER A -1 19.798 8.320 -1.408 1.00 0.00 C ATOM 39 C SER A -1 18.515 8.271 -2.232 1.00 0.00 C ATOM 40 O SER A -1 18.024 9.300 -2.697 1.00 0.00 O ATOM 41 CB SER A -1 20.953 7.714 -2.206 1.00 0.00 C ATOM 42 OG SER A -1 20.941 8.170 -3.548 1.00 0.00 O ATOM 0 H SER A -1 20.341 6.906 0.043 1.00 0.00 H new ATOM 0 HA SER A -1 20.028 9.362 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A -1 21.901 7.978 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A -1 20.881 6.627 -2.188 1.00 0.00 H new ATOM 0 HG SER A -1 21.690 7.769 -4.036 1.00 0.00 H new ATOM 48 N SER A 0 17.978 7.069 -2.411 1.00 0.00 N ATOM 49 CA SER A 0 16.754 6.885 -3.182 1.00 0.00 C ATOM 50 C SER A 0 15.543 7.401 -2.412 1.00 0.00 C ATOM 51 O SER A 0 14.677 8.073 -2.971 1.00 0.00 O ATOM 52 CB SER A 0 16.561 5.407 -3.526 1.00 0.00 C ATOM 53 OG SER A 0 16.640 4.598 -2.366 1.00 0.00 O ATOM 0 H SER A 0 18.371 6.207 -2.032 1.00 0.00 H new ATOM 0 HA SER A 0 16.846 7.457 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 0 15.593 5.266 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 0 17.321 5.095 -4.243 1.00 0.00 H new ATOM 0 HG SER A 0 16.512 3.658 -2.613 1.00 0.00 H new ATOM 59 N GLY A 1 15.490 7.083 -1.121 1.00 0.00 N ATOM 60 CA GLY A 1 14.381 7.522 -0.294 1.00 0.00 C ATOM 61 C GLY A 1 13.665 6.367 0.377 1.00 0.00 C ATOM 62 O GLY A 1 14.299 5.412 0.825 1.00 0.00 O ATOM 0 H GLY A 1 16.195 6.530 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.750 8.209 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.672 8.078 -0.908 1.00 0.00 H new ATOM 66 N MET A 2 12.340 6.454 0.446 1.00 0.00 N ATOM 67 CA MET A 2 11.538 5.407 1.068 1.00 0.00 C ATOM 68 C MET A 2 10.396 4.982 0.152 1.00 0.00 C ATOM 69 O MET A 2 9.629 5.818 -0.327 1.00 0.00 O ATOM 70 CB MET A 2 10.981 5.891 2.409 1.00 0.00 C ATOM 71 CG MET A 2 12.050 6.107 3.468 1.00 0.00 C ATOM 72 SD MET A 2 12.946 4.596 3.869 1.00 0.00 S ATOM 73 CE MET A 2 14.640 5.160 3.732 1.00 0.00 C ATOM 0 H MET A 2 11.800 7.238 0.079 1.00 0.00 H new ATOM 0 HA MET A 2 12.181 4.544 1.241 1.00 0.00 H new ATOM 0 HB2 MET A 2 10.441 6.825 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 2 10.258 5.163 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 2 12.755 6.861 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.586 6.500 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 2 15.220 4.435 3.161 1.00 0.00 H new ATOM 0 HE2 MET A 2 14.663 6.124 3.223 1.00 0.00 H new ATOM 0 HE3 MET A 2 15.070 5.265 4.728 1.00 0.00 H new ATOM 83 N ASN A 3 10.287 3.679 -0.087 1.00 0.00 N ATOM 84 CA ASN A 3 9.236 3.145 -0.946 1.00 0.00 C ATOM 85 C ASN A 3 7.883 3.191 -0.244 1.00 0.00 C ATOM 86 O ASN A 3 7.796 3.513 0.941 1.00 0.00 O ATOM 87 CB ASN A 3 9.565 1.707 -1.352 1.00 0.00 C ATOM 88 CG ASN A 3 10.766 1.626 -2.275 1.00 0.00 C ATOM 89 OD1 ASN A 3 11.856 2.087 -1.934 1.00 0.00 O ATOM 90 ND2 ASN A 3 10.572 1.037 -3.449 1.00 0.00 N ATOM 0 H ASN A 3 10.913 2.974 0.302 1.00 0.00 H new ATOM 0 HA ASN A 3 9.181 3.765 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.758 1.115 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.700 1.265 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.344 0.952 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.651 0.669 -3.689 1.00 0.00 H new ATOM 97 N LYS A 4 6.828 2.866 -0.984 1.00 0.00 N ATOM 98 CA LYS A 4 5.478 2.868 -0.435 1.00 0.00 C ATOM 99 C LYS A 4 4.669 1.691 -0.972 1.00 0.00 C ATOM 100 O LYS A 4 5.065 1.045 -1.944 1.00 0.00 O ATOM 101 CB LYS A 4 4.770 4.182 -0.770 1.00 0.00 C ATOM 102 CG LYS A 4 5.498 5.413 -0.258 1.00 0.00 C ATOM 103 CD LYS A 4 4.689 6.678 -0.492 1.00 0.00 C ATOM 104 CE LYS A 4 5.546 7.925 -0.334 1.00 0.00 C ATOM 105 NZ LYS A 4 5.025 9.061 -1.143 1.00 0.00 N ATOM 0 H LYS A 4 6.883 2.598 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 4 5.554 2.769 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.659 4.260 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.766 4.162 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.699 5.301 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.463 5.500 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.258 6.656 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.858 6.715 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.579 8.212 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.570 7.703 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.636 9.892 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.017 8.796 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.057 9.290 -0.838 1.00 0.00 H new ATOM 119 N LEU A 5 3.535 1.419 -0.337 1.00 0.00 N ATOM 120 CA LEU A 5 2.669 0.321 -0.753 1.00 0.00 C ATOM 121 C LEU A 5 1.358 0.848 -1.326 1.00 0.00 C ATOM 122 O LEU A 5 0.695 1.686 -0.715 1.00 0.00 O ATOM 123 CB LEU A 5 2.386 -0.608 0.429 1.00 0.00 C ATOM 124 CG LEU A 5 3.609 -1.099 1.204 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.186 -1.749 2.513 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.419 -2.074 0.362 1.00 0.00 C ATOM 0 H LEU A 5 3.193 1.944 0.468 1.00 0.00 H new ATOM 0 HA LEU A 5 3.185 -0.240 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.725 -0.089 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.841 -1.477 0.060 1.00 0.00 H new ATOM 0 HG LEU A 5 4.238 -0.239 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.070 -2.092 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.649 -1.023 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.536 -2.598 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.285 -2.413 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.799 -2.931 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.754 -1.577 -0.549 1.00 0.00 H new ATOM 138 N TYR A 6 0.989 0.350 -2.501 1.00 0.00 N ATOM 139 CA TYR A 6 -0.243 0.772 -3.157 1.00 0.00 C ATOM 140 C TYR A 6 -1.380 -0.199 -2.854 1.00 0.00 C ATOM 141 O TYR A 6 -1.315 -1.378 -3.203 1.00 0.00 O ATOM 142 CB TYR A 6 -0.033 0.872 -4.669 1.00 0.00 C ATOM 143 CG TYR A 6 -1.294 0.648 -5.472 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.447 1.377 -5.208 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.332 -0.291 -6.495 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.602 1.175 -5.940 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.481 -0.499 -7.232 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.613 0.237 -6.950 1.00 0.00 C ATOM 149 OH TYR A 6 -4.762 0.034 -7.682 1.00 0.00 O ATOM 0 H TYR A 6 1.525 -0.346 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.513 1.754 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.369 1.857 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.716 0.140 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.441 2.113 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.447 -0.869 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.491 1.749 -5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.493 -1.233 -8.024 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.602 -0.660 -8.356 1.00 0.00 H new ATOM 159 N ILE A 7 -2.423 0.306 -2.202 1.00 0.00 N ATOM 160 CA ILE A 7 -3.576 -0.515 -1.853 1.00 0.00 C ATOM 161 C ILE A 7 -4.733 -0.274 -2.816 1.00 0.00 C ATOM 162 O ILE A 7 -5.171 0.861 -3.005 1.00 0.00 O ATOM 163 CB ILE A 7 -4.051 -0.235 -0.415 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.876 -0.328 0.561 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.150 -1.209 -0.022 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.193 0.204 1.941 1.00 0.00 C ATOM 0 H ILE A 7 -2.493 1.279 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.258 -1.555 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.455 0.776 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.565 -1.369 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.030 0.225 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.475 -0.999 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.994 -1.099 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.769 -2.229 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.315 0.106 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.475 1.255 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.018 -0.365 2.370 1.00 0.00 H new ATOM 178 N GLY A 8 -5.227 -1.349 -3.421 1.00 0.00 N ATOM 179 CA GLY A 8 -6.331 -1.235 -4.356 1.00 0.00 C ATOM 180 C GLY A 8 -7.576 -1.953 -3.874 1.00 0.00 C ATOM 181 O GLY A 8 -7.528 -2.709 -2.905 1.00 0.00 O ATOM 0 H GLY A 8 -4.882 -2.298 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.561 -0.181 -4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.030 -1.644 -5.320 1.00 0.00 H new ATOM 185 N ASN A 9 -8.694 -1.715 -4.552 1.00 0.00 N ATOM 186 CA ASN A 9 -9.957 -2.344 -4.186 1.00 0.00 C ATOM 187 C ASN A 9 -10.459 -1.817 -2.845 1.00 0.00 C ATOM 188 O ASN A 9 -10.804 -2.592 -1.950 1.00 0.00 O ATOM 189 CB ASN A 9 -9.795 -3.863 -4.121 1.00 0.00 C ATOM 190 CG ASN A 9 -11.081 -4.598 -4.446 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.147 -5.358 -5.413 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.112 -4.372 -3.641 1.00 0.00 N ATOM 0 H ASN A 9 -8.751 -1.091 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.692 -2.097 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.017 -4.172 -4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.460 -4.147 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.004 -4.836 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.012 -3.734 -2.851 1.00 0.00 H new ATOM 199 N LEU A 10 -10.498 -0.496 -2.711 1.00 0.00 N ATOM 200 CA LEU A 10 -10.958 0.135 -1.480 1.00 0.00 C ATOM 201 C LEU A 10 -12.275 0.871 -1.704 1.00 0.00 C ATOM 202 O LEU A 10 -12.330 1.855 -2.443 1.00 0.00 O ATOM 203 CB LEU A 10 -9.900 1.109 -0.956 1.00 0.00 C ATOM 204 CG LEU A 10 -8.606 0.479 -0.441 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.572 1.554 -0.140 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.877 -0.363 0.797 1.00 0.00 C ATOM 0 H LEU A 10 -10.216 0.159 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.122 -0.648 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.648 1.806 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.342 1.695 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.208 -0.173 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.657 1.087 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.355 2.115 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.962 2.231 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.944 -0.803 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.299 0.267 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.582 -1.157 0.550 1.00 0.00 H new ATOM 218 N SER A 11 -13.333 0.389 -1.060 1.00 0.00 N ATOM 219 CA SER A 11 -14.651 1.000 -1.191 1.00 0.00 C ATOM 220 C SER A 11 -14.560 2.518 -1.070 1.00 0.00 C ATOM 221 O SER A 11 -13.676 3.063 -0.410 1.00 0.00 O ATOM 222 CB SER A 11 -15.600 0.448 -0.125 1.00 0.00 C ATOM 223 OG SER A 11 -15.516 1.201 1.073 1.00 0.00 O ATOM 0 H SER A 11 -13.304 -0.422 -0.443 1.00 0.00 H new ATOM 0 HA SER A 11 -15.042 0.754 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.623 0.468 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.355 -0.594 0.079 1.00 0.00 H new ATOM 0 HG SER A 11 -16.323 1.054 1.609 1.00 0.00 H new ATOM 229 N PRO A 12 -15.498 3.220 -1.724 1.00 0.00 N ATOM 230 CA PRO A 12 -15.547 4.685 -1.705 1.00 0.00 C ATOM 231 C PRO A 12 -15.948 5.235 -0.340 1.00 0.00 C ATOM 232 O PRO A 12 -15.961 6.446 -0.128 1.00 0.00 O ATOM 233 CB PRO A 12 -16.616 5.017 -2.750 1.00 0.00 C ATOM 234 CG PRO A 12 -17.486 3.810 -2.799 1.00 0.00 C ATOM 235 CD PRO A 12 -16.583 2.637 -2.530 1.00 0.00 C ATOM 0 HA PRO A 12 -14.573 5.128 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.184 5.903 -2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.169 5.222 -3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.280 3.870 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.969 3.716 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.103 1.845 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.206 2.199 -3.455 1.00 0.00 H new ATOM 243 N ALA A 13 -16.274 4.335 0.583 1.00 0.00 N ATOM 244 CA ALA A 13 -16.672 4.730 1.928 1.00 0.00 C ATOM 245 C ALA A 13 -15.500 4.631 2.899 1.00 0.00 C ATOM 246 O ALA A 13 -15.552 5.163 4.008 1.00 0.00 O ATOM 247 CB ALA A 13 -17.831 3.872 2.408 1.00 0.00 C ATOM 0 H ALA A 13 -16.270 3.328 0.423 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.994 5.771 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.118 4.178 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.679 3.997 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.528 2.825 2.420 1.00 0.00 H new ATOM 253 N VAL A 14 -14.442 3.945 2.476 1.00 0.00 N ATOM 254 CA VAL A 14 -13.257 3.776 3.308 1.00 0.00 C ATOM 255 C VAL A 14 -12.743 5.121 3.811 1.00 0.00 C ATOM 256 O VAL A 14 -12.818 6.130 3.109 1.00 0.00 O ATOM 257 CB VAL A 14 -12.129 3.063 2.540 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.844 3.067 3.352 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.541 1.642 2.186 1.00 0.00 C ATOM 0 H VAL A 14 -14.382 3.497 1.561 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.552 3.161 4.158 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.946 3.606 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.059 2.559 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.541 4.095 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.009 2.550 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.732 1.153 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.753 1.086 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.434 1.667 1.561 1.00 0.00 H new ATOM 269 N THR A 15 -12.221 5.128 5.034 1.00 0.00 N ATOM 270 CA THR A 15 -11.694 6.347 5.633 1.00 0.00 C ATOM 271 C THR A 15 -10.303 6.119 6.213 1.00 0.00 C ATOM 272 O THR A 15 -9.942 4.995 6.559 1.00 0.00 O ATOM 273 CB THR A 15 -12.622 6.873 6.745 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.900 5.829 7.685 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.926 7.395 6.160 1.00 0.00 C ATOM 0 H THR A 15 -12.152 4.302 5.629 1.00 0.00 H new ATOM 0 HA THR A 15 -11.635 7.090 4.837 1.00 0.00 H new ATOM 0 HB THR A 15 -12.115 7.694 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.489 6.171 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.565 7.761 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.714 8.209 5.466 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.435 6.590 5.630 1.00 0.00 H new ATOM 283 N ALA A 16 -9.527 7.194 6.316 1.00 0.00 N ATOM 284 CA ALA A 16 -8.176 7.110 6.857 1.00 0.00 C ATOM 285 C ALA A 16 -8.174 6.438 8.226 1.00 0.00 C ATOM 286 O ALA A 16 -7.277 5.654 8.541 1.00 0.00 O ATOM 287 CB ALA A 16 -7.557 8.497 6.947 1.00 0.00 C ATOM 0 H ALA A 16 -9.811 8.132 6.032 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.577 6.500 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.548 8.420 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.515 8.942 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.163 9.124 7.600 1.00 0.00 H new ATOM 293 N ASP A 17 -9.180 6.749 9.035 1.00 0.00 N ATOM 294 CA ASP A 17 -9.294 6.174 10.370 1.00 0.00 C ATOM 295 C ASP A 17 -9.396 4.654 10.300 1.00 0.00 C ATOM 296 O ASP A 17 -8.790 3.943 11.102 1.00 0.00 O ATOM 297 CB ASP A 17 -10.514 6.748 11.093 1.00 0.00 C ATOM 298 CG ASP A 17 -10.475 8.261 11.184 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.169 8.909 10.160 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.751 8.797 12.277 1.00 0.00 O ATOM 0 H ASP A 17 -9.929 7.397 8.790 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.395 6.434 10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.420 6.442 10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.568 6.328 12.097 1.00 0.00 H new ATOM 305 N ASP A 18 -10.168 4.163 9.338 1.00 0.00 N ATOM 306 CA ASP A 18 -10.351 2.726 9.164 1.00 0.00 C ATOM 307 C ASP A 18 -9.036 2.053 8.787 1.00 0.00 C ATOM 308 O ASP A 18 -8.705 0.981 9.296 1.00 0.00 O ATOM 309 CB ASP A 18 -11.406 2.451 8.090 1.00 0.00 C ATOM 310 CG ASP A 18 -12.819 2.566 8.625 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.013 2.362 9.842 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.733 2.862 7.827 1.00 0.00 O ATOM 0 H ASP A 18 -10.677 4.738 8.667 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.692 2.310 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.274 3.153 7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.255 1.451 7.684 1.00 0.00 H new ATOM 317 N LEU A 19 -8.287 2.687 7.890 1.00 0.00 N ATOM 318 CA LEU A 19 -7.008 2.149 7.442 1.00 0.00 C ATOM 319 C LEU A 19 -6.045 1.990 8.614 1.00 0.00 C ATOM 320 O LEU A 19 -5.412 0.947 8.773 1.00 0.00 O ATOM 321 CB LEU A 19 -6.391 3.063 6.382 1.00 0.00 C ATOM 322 CG LEU A 19 -6.719 2.720 4.928 1.00 0.00 C ATOM 323 CD1 LEU A 19 -5.927 3.605 3.979 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.436 1.251 4.650 1.00 0.00 C ATOM 0 H LEU A 19 -8.545 3.575 7.459 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.188 1.166 7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.718 4.084 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.308 3.047 6.503 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.781 2.903 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.174 3.346 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.178 4.650 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.860 3.454 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.675 1.025 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.382 1.042 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.048 0.632 5.306 1.00 0.00 H new ATOM 336 N ARG A 20 -5.941 3.031 9.435 1.00 0.00 N ATOM 337 CA ARG A 20 -5.055 3.007 10.592 1.00 0.00 C ATOM 338 C ARG A 20 -5.574 2.038 11.652 1.00 0.00 C ATOM 339 O ARG A 20 -4.800 1.311 12.273 1.00 0.00 O ATOM 340 CB ARG A 20 -4.922 4.409 11.189 1.00 0.00 C ATOM 341 CG ARG A 20 -4.458 5.455 10.188 1.00 0.00 C ATOM 342 CD ARG A 20 -4.998 6.834 10.534 1.00 0.00 C ATOM 343 NE ARG A 20 -4.224 7.475 11.593 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.299 8.770 11.877 1.00 0.00 C ATOM 345 NH1 ARG A 20 -5.109 9.558 11.183 1.00 0.00 N ATOM 346 NH2 ARG A 20 -3.563 9.280 12.856 1.00 0.00 N ATOM 0 H ARG A 20 -6.460 3.902 9.320 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.074 2.667 10.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.885 4.713 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.217 4.376 12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.369 5.484 10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.787 5.174 9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.984 7.463 9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.039 6.748 10.847 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.591 6.896 12.145 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.676 9.170 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.165 10.552 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.938 8.677 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.622 10.275 13.073 1.00 0.00 H new ATOM 360 N GLN A 21 -6.888 2.036 11.852 1.00 0.00 N ATOM 361 CA GLN A 21 -7.509 1.159 12.837 1.00 0.00 C ATOM 362 C GLN A 21 -7.420 -0.300 12.400 1.00 0.00 C ATOM 363 O GLN A 21 -7.316 -1.203 13.232 1.00 0.00 O ATOM 364 CB GLN A 21 -8.972 1.551 13.050 1.00 0.00 C ATOM 365 CG GLN A 21 -9.172 2.579 14.151 1.00 0.00 C ATOM 366 CD GLN A 21 -8.939 2.006 15.535 1.00 0.00 C ATOM 367 OE1 GLN A 21 -9.848 1.448 16.150 1.00 0.00 O ATOM 368 NE2 GLN A 21 -7.714 2.139 16.032 1.00 0.00 N ATOM 0 H GLN A 21 -7.543 2.632 11.345 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.969 1.271 13.777 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.373 1.947 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.548 0.657 13.290 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.492 3.416 13.989 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.185 2.976 14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.991 2.609 15.487 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.497 1.771 16.958 1.00 0.00 H new ATOM 377 N LEU A 22 -7.460 -0.523 11.091 1.00 0.00 N ATOM 378 CA LEU A 22 -7.384 -1.873 10.544 1.00 0.00 C ATOM 379 C LEU A 22 -5.979 -2.444 10.696 1.00 0.00 C ATOM 380 O LEU A 22 -5.800 -3.561 11.182 1.00 0.00 O ATOM 381 CB LEU A 22 -7.787 -1.869 9.068 1.00 0.00 C ATOM 382 CG LEU A 22 -7.812 -3.231 8.375 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.043 -4.021 8.792 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.772 -3.062 6.864 1.00 0.00 C ATOM 0 H LEU A 22 -7.545 0.213 10.390 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.075 -2.504 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.778 -1.423 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.099 -1.221 8.526 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.927 -3.788 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.043 -4.988 8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.029 -4.174 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.941 -3.468 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.790 -4.042 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.638 -2.484 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.859 -2.538 6.581 1.00 0.00 H new ATOM 396 N PHE A 23 -4.982 -1.669 10.282 1.00 0.00 N ATOM 397 CA PHE A 23 -3.590 -2.097 10.374 1.00 0.00 C ATOM 398 C PHE A 23 -3.173 -2.279 11.830 1.00 0.00 C ATOM 399 O PHE A 23 -2.500 -3.248 12.178 1.00 0.00 O ATOM 400 CB PHE A 23 -2.675 -1.078 9.693 1.00 0.00 C ATOM 401 CG PHE A 23 -2.456 -1.351 8.232 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.481 -1.163 7.318 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.228 -1.796 7.773 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.283 -1.412 5.973 1.00 0.00 C ATOM 405 CE2 PHE A 23 -1.024 -2.047 6.430 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.053 -1.856 5.528 1.00 0.00 C ATOM 0 H PHE A 23 -5.112 -0.741 9.879 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.496 -3.056 9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.104 -0.083 9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.711 -1.070 10.202 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.445 -0.818 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.420 -1.949 8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.089 -1.260 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.061 -2.392 6.085 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.896 -2.053 4.478 1.00 0.00 H new ATOM 416 N GLY A 24 -3.578 -1.338 12.678 1.00 0.00 N ATOM 417 CA GLY A 24 -3.236 -1.412 14.087 1.00 0.00 C ATOM 418 C GLY A 24 -3.869 -2.605 14.775 1.00 0.00 C ATOM 419 O GLY A 24 -3.244 -3.246 15.619 1.00 0.00 O ATOM 0 H GLY A 24 -4.137 -0.526 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.153 -1.468 14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.557 -0.497 14.584 1.00 0.00 H new ATOM 423 N ASP A 25 -5.112 -2.902 14.415 1.00 0.00 N ATOM 424 CA ASP A 25 -5.832 -4.026 15.004 1.00 0.00 C ATOM 425 C ASP A 25 -5.123 -5.343 14.702 1.00 0.00 C ATOM 426 O ASP A 25 -5.196 -6.292 15.483 1.00 0.00 O ATOM 427 CB ASP A 25 -7.267 -4.073 14.480 1.00 0.00 C ATOM 428 CG ASP A 25 -8.118 -5.091 15.212 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.615 -4.768 16.311 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.288 -6.212 14.686 1.00 0.00 O ATOM 0 H ASP A 25 -5.643 -2.380 13.718 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.854 -3.885 16.085 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.720 -3.086 14.580 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.255 -4.312 13.417 1.00 0.00 H new ATOM 435 N ARG A 26 -4.439 -5.393 13.564 1.00 0.00 N ATOM 436 CA ARG A 26 -3.720 -6.595 13.157 1.00 0.00 C ATOM 437 C ARG A 26 -2.298 -6.590 13.711 1.00 0.00 C ATOM 438 O ARG A 26 -1.437 -7.338 13.247 1.00 0.00 O ATOM 439 CB ARG A 26 -3.685 -6.702 11.632 1.00 0.00 C ATOM 440 CG ARG A 26 -4.907 -7.384 11.041 1.00 0.00 C ATOM 441 CD ARG A 26 -4.754 -8.896 11.036 1.00 0.00 C ATOM 442 NE ARG A 26 -6.044 -9.577 11.125 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.175 -10.868 11.406 1.00 0.00 C ATOM 444 NH1 ARG A 26 -5.101 -11.615 11.624 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.382 -11.415 11.468 1.00 0.00 N ATOM 0 H ARG A 26 -4.367 -4.616 12.907 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.247 -7.459 13.562 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.597 -5.702 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.793 -7.253 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.792 -7.109 11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.065 -7.030 10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.243 -9.206 10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.125 -9.200 11.873 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.890 -9.031 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.171 -11.198 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.205 -12.607 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.210 -10.844 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.482 -12.407 11.684 1.00 0.00 H new ATOM 459 N LYS A 27 -2.058 -5.740 14.704 1.00 0.00 N ATOM 460 CA LYS A 27 -0.741 -5.637 15.322 1.00 0.00 C ATOM 461 C LYS A 27 0.300 -5.170 14.310 1.00 0.00 C ATOM 462 O LYS A 27 1.474 -5.533 14.399 1.00 0.00 O ATOM 463 CB LYS A 27 -0.325 -6.987 15.912 1.00 0.00 C ATOM 464 CG LYS A 27 -0.759 -7.180 17.355 1.00 0.00 C ATOM 465 CD LYS A 27 0.046 -6.305 18.302 1.00 0.00 C ATOM 466 CE LYS A 27 1.323 -6.999 18.752 1.00 0.00 C ATOM 467 NZ LYS A 27 1.039 -8.147 19.658 1.00 0.00 N ATOM 0 H LYS A 27 -2.759 -5.112 15.098 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.800 -4.900 16.123 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.749 -7.786 15.304 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.759 -7.082 15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.819 -6.943 17.452 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.639 -8.227 17.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.296 -5.366 17.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.560 -6.056 19.173 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.872 -7.352 17.879 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.965 -6.282 19.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.883 -8.357 20.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.248 -7.905 20.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.787 -8.982 19.092 1.00 0.00 H new ATOM 481 N LEU A 28 -0.136 -4.364 13.349 1.00 0.00 N ATOM 482 CA LEU A 28 0.759 -3.845 12.321 1.00 0.00 C ATOM 483 C LEU A 28 0.684 -2.324 12.248 1.00 0.00 C ATOM 484 O LEU A 28 0.003 -1.751 11.397 1.00 0.00 O ATOM 485 CB LEU A 28 0.408 -4.450 10.959 1.00 0.00 C ATOM 486 CG LEU A 28 0.797 -5.915 10.755 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.078 -6.555 9.689 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.267 -6.030 10.382 1.00 0.00 C ATOM 0 H LEU A 28 -1.104 -4.055 13.260 1.00 0.00 H new ATOM 0 HA LEU A 28 1.778 -4.127 12.587 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.667 -4.356 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.892 -3.855 10.184 1.00 0.00 H new ATOM 0 HG LEU A 28 0.639 -6.447 11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.213 -7.597 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.122 -6.506 9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.047 -6.021 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.526 -7.079 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.452 -5.483 9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.879 -5.610 11.180 1.00 0.00 H new ATOM 500 N PRO A 29 1.400 -1.652 13.162 1.00 0.00 N ATOM 501 CA PRO A 29 1.433 -0.187 13.221 1.00 0.00 C ATOM 502 C PRO A 29 2.179 0.424 12.040 1.00 0.00 C ATOM 503 O PRO A 29 3.156 -0.143 11.549 1.00 0.00 O ATOM 504 CB PRO A 29 2.174 0.098 14.529 1.00 0.00 C ATOM 505 CG PRO A 29 3.015 -1.109 14.759 1.00 0.00 C ATOM 506 CD PRO A 29 2.235 -2.270 14.205 1.00 0.00 C ATOM 0 HA PRO A 29 0.434 0.246 13.179 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.785 0.997 14.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.477 0.258 15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.979 -1.013 14.260 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.218 -1.247 15.821 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.892 -3.036 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.629 -2.750 14.973 1.00 0.00 H new ATOM 514 N LEU A 30 1.715 1.584 11.590 1.00 0.00 N ATOM 515 CA LEU A 30 2.341 2.274 10.466 1.00 0.00 C ATOM 516 C LEU A 30 3.334 3.323 10.956 1.00 0.00 C ATOM 517 O LEU A 30 2.945 4.414 11.370 1.00 0.00 O ATOM 518 CB LEU A 30 1.275 2.934 9.590 1.00 0.00 C ATOM 519 CG LEU A 30 0.077 2.059 9.216 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.168 2.910 9.029 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.374 1.260 7.955 1.00 0.00 C ATOM 0 H LEU A 30 0.908 2.067 11.985 1.00 0.00 H new ATOM 0 HA LEU A 30 2.883 1.536 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.905 3.819 10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.750 3.277 8.671 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.106 1.359 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.010 2.270 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.391 3.437 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.997 3.634 8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.489 0.643 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.584 1.943 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.240 0.620 8.125 1.00 0.00 H new ATOM 533 N ALA A 31 4.617 2.985 10.904 1.00 0.00 N ATOM 534 CA ALA A 31 5.667 3.899 11.337 1.00 0.00 C ATOM 535 C ALA A 31 6.087 4.829 10.205 1.00 0.00 C ATOM 536 O ALA A 31 7.274 5.088 10.009 1.00 0.00 O ATOM 537 CB ALA A 31 6.866 3.120 11.855 1.00 0.00 C ATOM 0 H ALA A 31 4.955 2.084 10.566 1.00 0.00 H new ATOM 0 HA ALA A 31 5.269 4.511 12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.642 3.816 12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.561 2.503 12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.256 2.482 11.062 1.00 0.00 H new ATOM 543 N GLY A 32 5.106 5.330 9.461 1.00 0.00 N ATOM 544 CA GLY A 32 5.395 6.225 8.355 1.00 0.00 C ATOM 545 C GLY A 32 4.246 7.167 8.056 1.00 0.00 C ATOM 546 O GLY A 32 3.721 7.821 8.957 1.00 0.00 O ATOM 0 H GLY A 32 4.116 5.132 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.287 6.807 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.620 5.637 7.465 1.00 0.00 H new ATOM 550 N GLN A 33 3.856 7.237 6.788 1.00 0.00 N ATOM 551 CA GLN A 33 2.763 8.109 6.372 1.00 0.00 C ATOM 552 C GLN A 33 1.638 7.303 5.731 1.00 0.00 C ATOM 553 O GLN A 33 1.880 6.277 5.095 1.00 0.00 O ATOM 554 CB GLN A 33 3.271 9.168 5.393 1.00 0.00 C ATOM 555 CG GLN A 33 3.723 10.453 6.066 1.00 0.00 C ATOM 556 CD GLN A 33 2.751 10.929 7.127 1.00 0.00 C ATOM 557 OE1 GLN A 33 1.611 11.287 6.827 1.00 0.00 O ATOM 558 NE2 GLN A 33 3.197 10.936 8.379 1.00 0.00 N ATOM 0 H GLN A 33 4.280 6.701 6.031 1.00 0.00 H new ATOM 0 HA GLN A 33 2.370 8.605 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.103 8.754 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.480 9.400 4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.702 10.296 6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.842 11.231 5.312 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.149 10.631 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.588 11.246 9.136 1.00 0.00 H new ATOM 567 N VAL A 34 0.407 7.775 5.900 1.00 0.00 N ATOM 568 CA VAL A 34 -0.756 7.098 5.338 1.00 0.00 C ATOM 569 C VAL A 34 -1.536 8.025 4.414 1.00 0.00 C ATOM 570 O VAL A 34 -2.037 9.068 4.840 1.00 0.00 O ATOM 571 CB VAL A 34 -1.696 6.582 6.444 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.852 5.802 5.839 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.927 5.728 7.440 1.00 0.00 C ATOM 0 H VAL A 34 0.189 8.624 6.422 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.382 6.249 4.766 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.108 7.439 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.506 5.445 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.417 6.450 5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.463 4.951 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.606 5.372 8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.486 4.875 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.137 6.324 7.897 1.00 0.00 H new ATOM 583 N LEU A 35 -1.638 7.641 3.146 1.00 0.00 N ATOM 584 CA LEU A 35 -2.359 8.438 2.160 1.00 0.00 C ATOM 585 C LEU A 35 -3.622 7.719 1.697 1.00 0.00 C ATOM 586 O LEU A 35 -3.577 6.550 1.311 1.00 0.00 O ATOM 587 CB LEU A 35 -1.459 8.737 0.959 1.00 0.00 C ATOM 588 CG LEU A 35 -0.424 9.845 1.156 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.868 9.274 1.720 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.162 10.568 -0.157 1.00 0.00 C ATOM 0 H LEU A 35 -1.230 6.782 2.777 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.650 9.377 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.934 7.821 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.092 9.005 0.113 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.821 10.565 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.593 10.077 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.668 8.802 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.270 8.533 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.577 11.353 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.214 9.859 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.090 11.010 -0.520 1.00 0.00 H new ATOM 602 N LEU A 36 -4.746 8.424 1.736 1.00 0.00 N ATOM 603 CA LEU A 36 -6.023 7.854 1.318 1.00 0.00 C ATOM 604 C LEU A 36 -6.529 8.528 0.046 1.00 0.00 C ATOM 605 O LEU A 36 -6.842 9.719 0.044 1.00 0.00 O ATOM 606 CB LEU A 36 -7.059 8.000 2.434 1.00 0.00 C ATOM 607 CG LEU A 36 -8.517 7.782 2.029 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.786 6.306 1.780 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.454 8.324 3.098 1.00 0.00 C ATOM 0 H LEU A 36 -4.800 9.392 2.053 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.870 6.795 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.813 7.292 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.967 8.999 2.860 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.702 8.326 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.829 6.170 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.139 5.948 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.583 5.741 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.488 8.160 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.268 7.809 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.279 9.392 3.228 1.00 0.00 H new ATOM 621 N LYS A 37 -6.611 7.757 -1.032 1.00 0.00 N ATOM 622 CA LYS A 37 -7.083 8.277 -2.311 1.00 0.00 C ATOM 623 C LYS A 37 -8.455 7.706 -2.655 1.00 0.00 C ATOM 624 O LYS A 37 -8.852 6.661 -2.139 1.00 0.00 O ATOM 625 CB LYS A 37 -6.086 7.942 -3.421 1.00 0.00 C ATOM 626 CG LYS A 37 -4.664 8.382 -3.115 1.00 0.00 C ATOM 627 CD LYS A 37 -4.498 9.883 -3.276 1.00 0.00 C ATOM 628 CE LYS A 37 -4.162 10.256 -4.712 1.00 0.00 C ATOM 629 NZ LYS A 37 -5.374 10.280 -5.577 1.00 0.00 N ATOM 0 H LYS A 37 -6.357 6.769 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.170 9.360 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.095 6.866 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.413 8.416 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.404 8.094 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.971 7.865 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.416 10.386 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.708 10.236 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.683 11.235 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.443 9.542 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.352 11.125 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.392 9.428 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.226 10.304 -4.981 1.00 0.00 H new ATOM 643 N SER A 38 -9.175 8.398 -3.533 1.00 0.00 N ATOM 644 CA SER A 38 -10.503 7.961 -3.946 1.00 0.00 C ATOM 645 C SER A 38 -10.421 6.682 -4.774 1.00 0.00 C ATOM 646 O SER A 38 -10.302 6.728 -5.998 1.00 0.00 O ATOM 647 CB SER A 38 -11.198 9.060 -4.752 1.00 0.00 C ATOM 648 OG SER A 38 -11.702 10.074 -3.901 1.00 0.00 O ATOM 0 H SER A 38 -8.860 9.263 -3.972 1.00 0.00 H new ATOM 0 HA SER A 38 -11.086 7.756 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.495 9.494 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.014 8.629 -5.333 1.00 0.00 H new ATOM 0 HG SER A 38 -12.140 10.766 -4.440 1.00 0.00 H new ATOM 654 N GLY A 39 -10.488 5.540 -4.096 1.00 0.00 N ATOM 655 CA GLY A 39 -10.419 4.264 -4.784 1.00 0.00 C ATOM 656 C GLY A 39 -9.183 3.470 -4.412 1.00 0.00 C ATOM 657 O GLY A 39 -9.097 2.274 -4.692 1.00 0.00 O ATOM 0 H GLY A 39 -10.589 5.476 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.308 3.679 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.427 4.434 -5.861 1.00 0.00 H new ATOM 661 N TYR A 40 -8.222 4.136 -3.782 1.00 0.00 N ATOM 662 CA TYR A 40 -6.982 3.486 -3.376 1.00 0.00 C ATOM 663 C TYR A 40 -6.337 4.226 -2.208 1.00 0.00 C ATOM 664 O TYR A 40 -6.822 5.272 -1.777 1.00 0.00 O ATOM 665 CB TYR A 40 -6.007 3.419 -4.553 1.00 0.00 C ATOM 666 CG TYR A 40 -5.927 4.703 -5.347 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.918 5.041 -6.261 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.861 5.579 -5.183 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.849 6.212 -6.989 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.785 6.755 -5.906 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.781 7.066 -6.808 1.00 0.00 C ATOM 672 OH TYR A 40 -5.709 8.235 -7.530 1.00 0.00 O ATOM 0 H TYR A 40 -8.278 5.126 -3.541 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.221 2.473 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.014 3.171 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.308 2.609 -5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.757 4.376 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.079 5.337 -4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.627 6.458 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.951 7.426 -5.765 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.614 8.551 -7.731 1.00 0.00 H new ATOM 682 N ALA A 41 -5.238 3.675 -1.702 1.00 0.00 N ATOM 683 CA ALA A 41 -4.523 4.282 -0.586 1.00 0.00 C ATOM 684 C ALA A 41 -3.066 3.836 -0.559 1.00 0.00 C ATOM 685 O ALA A 41 -2.742 2.716 -0.955 1.00 0.00 O ATOM 686 CB ALA A 41 -5.208 3.938 0.729 1.00 0.00 C ATOM 0 H ALA A 41 -4.824 2.809 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.541 5.364 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.664 4.398 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.231 4.314 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.220 2.856 0.861 1.00 0.00 H new ATOM 692 N PHE A 42 -2.191 4.718 -0.088 1.00 0.00 N ATOM 693 CA PHE A 42 -0.766 4.415 -0.012 1.00 0.00 C ATOM 694 C PHE A 42 -0.289 4.408 1.437 1.00 0.00 C ATOM 695 O PHE A 42 -0.780 5.171 2.269 1.00 0.00 O ATOM 696 CB PHE A 42 0.039 5.436 -0.820 1.00 0.00 C ATOM 697 CG PHE A 42 -0.477 5.634 -2.217 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.361 4.627 -3.162 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.078 6.827 -2.585 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.833 4.807 -4.449 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.552 7.013 -3.870 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.431 6.002 -4.803 1.00 0.00 C ATOM 0 H PHE A 42 -2.443 5.648 0.247 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.608 3.422 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.027 6.392 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.079 5.112 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.104 3.691 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.177 7.621 -1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.735 4.015 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.017 7.949 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.803 6.145 -5.807 1.00 0.00 H new ATOM 712 N VAL A 43 0.672 3.538 1.733 1.00 0.00 N ATOM 713 CA VAL A 43 1.217 3.430 3.081 1.00 0.00 C ATOM 714 C VAL A 43 2.722 3.193 3.048 1.00 0.00 C ATOM 715 O VAL A 43 3.226 2.451 2.205 1.00 0.00 O ATOM 716 CB VAL A 43 0.546 2.289 3.869 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.927 2.592 4.097 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.720 0.966 3.139 1.00 0.00 C ATOM 0 H VAL A 43 1.089 2.898 1.057 1.00 0.00 H new ATOM 0 HA VAL A 43 1.012 4.376 3.581 1.00 0.00 H new ATOM 0 HB VAL A 43 1.030 2.208 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.384 1.775 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.025 3.518 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.429 2.700 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.240 0.170 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.262 1.032 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.782 0.746 3.032 1.00 0.00 H new ATOM 728 N ASP A 44 3.436 3.829 3.971 1.00 0.00 N ATOM 729 CA ASP A 44 4.885 3.686 4.049 1.00 0.00 C ATOM 730 C ASP A 44 5.269 2.546 4.988 1.00 0.00 C ATOM 731 O ASP A 44 4.901 2.544 6.162 1.00 0.00 O ATOM 732 CB ASP A 44 5.523 4.991 4.527 1.00 0.00 C ATOM 733 CG ASP A 44 7.033 4.981 4.394 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.528 5.018 3.247 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.720 4.936 5.436 1.00 0.00 O ATOM 0 H ASP A 44 3.035 4.448 4.675 1.00 0.00 H new ATOM 0 HA ASP A 44 5.256 3.453 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.116 5.823 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.254 5.163 5.569 1.00 0.00 H new ATOM 740 N TYR A 45 6.010 1.578 4.461 1.00 0.00 N ATOM 741 CA TYR A 45 6.441 0.430 5.250 1.00 0.00 C ATOM 742 C TYR A 45 7.836 0.657 5.827 1.00 0.00 C ATOM 743 O TYR A 45 8.701 1.270 5.201 1.00 0.00 O ATOM 744 CB TYR A 45 6.432 -0.837 4.393 1.00 0.00 C ATOM 745 CG TYR A 45 7.529 -0.874 3.354 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.817 -1.278 3.687 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.279 -0.504 2.038 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.822 -1.311 2.741 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.279 -0.536 1.084 1.00 0.00 C ATOM 750 CZ TYR A 45 9.548 -0.940 1.441 1.00 0.00 C ATOM 751 OH TYR A 45 10.547 -0.973 0.496 1.00 0.00 O ATOM 0 H TYR A 45 6.325 1.565 3.491 1.00 0.00 H new ATOM 0 HA TYR A 45 5.741 0.307 6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.530 -1.706 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.467 -0.920 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.035 -1.571 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.286 -0.186 1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.818 -1.626 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.068 -0.246 0.065 1.00 0.00 H new ATOM 0 HH TYR A 45 10.159 -1.159 -0.384 1.00 0.00 H new ATOM 761 N PRO A 46 8.059 0.152 7.048 1.00 0.00 N ATOM 762 CA PRO A 46 9.346 0.285 7.737 1.00 0.00 C ATOM 763 C PRO A 46 10.442 -0.550 7.084 1.00 0.00 C ATOM 764 O PRO A 46 11.530 -0.049 6.799 1.00 0.00 O ATOM 765 CB PRO A 46 9.049 -0.231 9.147 1.00 0.00 C ATOM 766 CG PRO A 46 7.893 -1.157 8.977 1.00 0.00 C ATOM 767 CD PRO A 46 7.072 -0.590 7.852 1.00 0.00 C ATOM 0 HA PRO A 46 9.717 1.310 7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.911 -0.748 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.804 0.587 9.824 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.232 -2.166 8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.307 -1.222 9.894 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.590 -1.376 7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.282 0.064 8.221 1.00 0.00 H new ATOM 775 N ASP A 47 10.149 -1.824 6.850 1.00 0.00 N ATOM 776 CA ASP A 47 11.109 -2.728 6.229 1.00 0.00 C ATOM 777 C ASP A 47 10.420 -3.648 5.226 1.00 0.00 C ATOM 778 O ASP A 47 9.195 -3.766 5.219 1.00 0.00 O ATOM 779 CB ASP A 47 11.823 -3.559 7.296 1.00 0.00 C ATOM 780 CG ASP A 47 12.990 -4.346 6.732 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.929 -3.717 6.202 1.00 0.00 O ATOM 782 OD2 ASP A 47 12.963 -5.592 6.820 1.00 0.00 O ATOM 0 H ASP A 47 9.254 -2.254 7.081 1.00 0.00 H new ATOM 0 HA ASP A 47 11.845 -2.126 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.181 -2.900 8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.112 -4.247 7.753 1.00 0.00 H new ATOM 787 N GLN A 48 11.215 -4.297 4.382 1.00 0.00 N ATOM 788 CA GLN A 48 10.680 -5.205 3.374 1.00 0.00 C ATOM 789 C GLN A 48 9.969 -6.385 4.027 1.00 0.00 C ATOM 790 O GLN A 48 8.931 -6.840 3.548 1.00 0.00 O ATOM 791 CB GLN A 48 11.802 -5.710 2.465 1.00 0.00 C ATOM 792 CG GLN A 48 11.323 -6.142 1.090 1.00 0.00 C ATOM 793 CD GLN A 48 12.466 -6.471 0.149 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.468 -5.756 0.098 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.323 -7.557 -0.601 1.00 0.00 N ATOM 0 H GLN A 48 12.231 -4.211 4.376 1.00 0.00 H new ATOM 0 HA GLN A 48 9.955 -4.655 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.547 -4.923 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.299 -6.551 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.679 -7.015 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.717 -5.348 0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.476 -8.120 -0.526 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.060 -7.828 -1.252 1.00 0.00 H new ATOM 804 N ASN A 49 10.535 -6.877 5.125 1.00 0.00 N ATOM 805 CA ASN A 49 9.955 -8.006 5.843 1.00 0.00 C ATOM 806 C ASN A 49 8.566 -7.658 6.373 1.00 0.00 C ATOM 807 O ASN A 49 7.640 -8.464 6.290 1.00 0.00 O ATOM 808 CB ASN A 49 10.864 -8.422 7.001 1.00 0.00 C ATOM 809 CG ASN A 49 12.317 -8.540 6.582 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.640 -8.459 5.396 1.00 0.00 O ATOM 811 ND2 ASN A 49 13.200 -8.731 7.555 1.00 0.00 N ATOM 0 H ASN A 49 11.394 -6.512 5.536 1.00 0.00 H new ATOM 0 HA ASN A 49 9.861 -8.838 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.779 -7.692 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.525 -9.378 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.192 -8.817 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.886 -8.792 8.524 1.00 0.00 H new ATOM 818 N TRP A 50 8.431 -6.454 6.916 1.00 0.00 N ATOM 819 CA TRP A 50 7.156 -5.999 7.458 1.00 0.00 C ATOM 820 C TRP A 50 6.103 -5.899 6.361 1.00 0.00 C ATOM 821 O TRP A 50 4.952 -6.291 6.554 1.00 0.00 O ATOM 822 CB TRP A 50 7.325 -4.643 8.145 1.00 0.00 C ATOM 823 CG TRP A 50 6.043 -4.089 8.691 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.637 -4.098 9.995 1.00 0.00 C ATOM 825 CD2 TRP A 50 5.001 -3.449 7.947 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.404 -3.501 10.106 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.993 -3.093 8.864 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.822 -3.140 6.596 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.825 -2.446 8.472 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.662 -2.498 6.209 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.676 -2.155 7.143 1.00 0.00 C ATOM 0 H TRP A 50 9.188 -5.775 6.993 1.00 0.00 H new ATOM 0 HA TRP A 50 6.820 -6.731 8.192 1.00 0.00 H new ATOM 0 HB2 TRP A 50 8.045 -4.743 8.958 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.745 -3.933 7.433 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.201 -4.513 10.817 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.880 -3.381 10.973 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.577 -3.398 5.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.063 -2.183 9.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.512 -2.256 5.167 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.781 -1.651 6.808 1.00 0.00 H new ATOM 842 N ALA A 51 6.503 -5.371 5.208 1.00 0.00 N ATOM 843 CA ALA A 51 5.593 -5.222 4.079 1.00 0.00 C ATOM 844 C ALA A 51 5.064 -6.576 3.617 1.00 0.00 C ATOM 845 O ALA A 51 3.856 -6.762 3.467 1.00 0.00 O ATOM 846 CB ALA A 51 6.289 -4.505 2.932 1.00 0.00 C ATOM 0 H ALA A 51 7.451 -5.039 5.032 1.00 0.00 H new ATOM 0 HA ALA A 51 4.743 -4.622 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.598 -4.400 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.611 -3.517 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.157 -5.083 2.615 1.00 0.00 H new ATOM 852 N ILE A 52 5.975 -7.516 3.393 1.00 0.00 N ATOM 853 CA ILE A 52 5.601 -8.852 2.948 1.00 0.00 C ATOM 854 C ILE A 52 4.665 -9.522 3.949 1.00 0.00 C ATOM 855 O ILE A 52 3.665 -10.130 3.569 1.00 0.00 O ATOM 856 CB ILE A 52 6.839 -9.745 2.742 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.764 -9.136 1.687 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.417 -11.150 2.337 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.183 -9.654 1.756 1.00 0.00 C ATOM 0 H ILE A 52 6.978 -7.377 3.513 1.00 0.00 H new ATOM 0 HA ILE A 52 5.086 -8.735 1.994 1.00 0.00 H new ATOM 0 HB ILE A 52 7.384 -9.808 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.358 -9.343 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.775 -8.053 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.303 -11.769 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.794 -11.582 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.852 -11.106 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.782 -9.179 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.607 -9.423 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.184 -10.734 1.606 1.00 0.00 H new ATOM 871 N ARG A 53 4.997 -9.404 5.231 1.00 0.00 N ATOM 872 CA ARG A 53 4.187 -9.999 6.288 1.00 0.00 C ATOM 873 C ARG A 53 2.856 -9.265 6.430 1.00 0.00 C ATOM 874 O ARG A 53 1.847 -9.857 6.810 1.00 0.00 O ATOM 875 CB ARG A 53 4.942 -9.968 7.617 1.00 0.00 C ATOM 876 CG ARG A 53 4.458 -11.006 8.617 1.00 0.00 C ATOM 877 CD ARG A 53 5.200 -12.323 8.456 1.00 0.00 C ATOM 878 NE ARG A 53 6.593 -12.223 8.887 1.00 0.00 N ATOM 879 CZ ARG A 53 7.336 -13.272 9.221 1.00 0.00 C ATOM 880 NH1 ARG A 53 6.824 -14.494 9.173 1.00 0.00 N ATOM 881 NH2 ARG A 53 8.595 -13.100 9.602 1.00 0.00 N ATOM 0 H ARG A 53 5.821 -8.902 5.563 1.00 0.00 H new ATOM 0 HA ARG A 53 3.985 -11.035 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.003 -10.127 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.843 -8.976 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.598 -10.630 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.389 -11.171 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.696 -13.096 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.165 -12.634 7.412 1.00 0.00 H new ATOM 0 HE ARG A 53 7.018 -11.297 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.857 -14.631 8.879 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.397 -15.298 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.993 -12.162 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.165 -13.906 9.858 1.00 0.00 H new ATOM 895 N ALA A 54 2.864 -7.973 6.121 1.00 0.00 N ATOM 896 CA ALA A 54 1.658 -7.159 6.213 1.00 0.00 C ATOM 897 C ALA A 54 0.674 -7.508 5.102 1.00 0.00 C ATOM 898 O ALA A 54 -0.529 -7.619 5.338 1.00 0.00 O ATOM 899 CB ALA A 54 2.014 -5.681 6.160 1.00 0.00 C ATOM 0 H ALA A 54 3.692 -7.467 5.805 1.00 0.00 H new ATOM 0 HA ALA A 54 1.178 -7.372 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.104 -5.085 6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.673 -5.435 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.520 -5.462 5.220 1.00 0.00 H new ATOM 905 N ILE A 55 1.193 -7.679 3.890 1.00 0.00 N ATOM 906 CA ILE A 55 0.359 -8.016 2.743 1.00 0.00 C ATOM 907 C ILE A 55 -0.276 -9.392 2.911 1.00 0.00 C ATOM 908 O ILE A 55 -1.477 -9.561 2.706 1.00 0.00 O ATOM 909 CB ILE A 55 1.169 -7.992 1.433 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.589 -6.561 1.094 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.355 -8.593 0.296 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.892 -6.479 0.329 1.00 0.00 C ATOM 0 H ILE A 55 2.187 -7.590 3.678 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.426 -7.261 2.689 1.00 0.00 H new ATOM 0 HB ILE A 55 2.068 -8.593 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.802 -6.089 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.683 -5.990 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.941 -8.569 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.100 -9.625 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.559 -8.016 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.128 -5.435 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.691 -6.921 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.797 -7.022 -0.611 1.00 0.00 H new ATOM 924 N GLU A 56 0.540 -10.372 3.285 1.00 0.00 N ATOM 925 CA GLU A 56 0.057 -11.734 3.481 1.00 0.00 C ATOM 926 C GLU A 56 -0.967 -11.792 4.612 1.00 0.00 C ATOM 927 O GLU A 56 -1.983 -12.480 4.513 1.00 0.00 O ATOM 928 CB GLU A 56 1.224 -12.674 3.787 1.00 0.00 C ATOM 929 CG GLU A 56 1.866 -13.272 2.546 1.00 0.00 C ATOM 930 CD GLU A 56 1.087 -14.450 1.996 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.575 -15.253 2.804 1.00 0.00 O ATOM 932 OE2 GLU A 56 0.988 -14.569 0.756 1.00 0.00 O ATOM 0 H GLU A 56 1.538 -10.249 3.458 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.427 -12.056 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.981 -12.128 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.870 -13.482 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.946 -12.504 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.880 -13.592 2.785 1.00 0.00 H new ATOM 939 N THR A 57 -0.691 -11.062 5.689 1.00 0.00 N ATOM 940 CA THR A 57 -1.584 -11.030 6.841 1.00 0.00 C ATOM 941 C THR A 57 -2.801 -10.153 6.568 1.00 0.00 C ATOM 942 O THR A 57 -3.890 -10.408 7.082 1.00 0.00 O ATOM 943 CB THR A 57 -0.862 -10.511 8.098 1.00 0.00 C ATOM 944 OG1 THR A 57 0.207 -11.397 8.451 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.830 -10.386 9.265 1.00 0.00 C ATOM 0 H THR A 57 0.144 -10.485 5.787 1.00 0.00 H new ATOM 0 HA THR A 57 -1.910 -12.055 7.017 1.00 0.00 H new ATOM 0 HB THR A 57 -0.456 -9.524 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.028 -11.116 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.297 -10.018 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.626 -9.688 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.261 -11.362 9.486 1.00 0.00 H new ATOM 953 N LEU A 58 -2.608 -9.119 5.756 1.00 0.00 N ATOM 954 CA LEU A 58 -3.691 -8.203 5.414 1.00 0.00 C ATOM 955 C LEU A 58 -4.310 -8.570 4.069 1.00 0.00 C ATOM 956 O LEU A 58 -5.434 -9.069 4.008 1.00 0.00 O ATOM 957 CB LEU A 58 -3.174 -6.764 5.375 1.00 0.00 C ATOM 958 CG LEU A 58 -2.534 -6.245 6.663 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.723 -4.988 6.387 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.599 -5.975 7.716 1.00 0.00 C ATOM 0 H LEU A 58 -1.712 -8.894 5.323 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.460 -8.286 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.442 -6.684 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.005 -6.108 5.116 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.859 -7.011 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.275 -4.633 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.936 -5.213 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.376 -4.216 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.126 -5.606 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.299 -5.227 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.136 -6.898 7.935 1.00 0.00 H new ATOM 972 N SER A 59 -3.569 -8.322 2.995 1.00 0.00 N ATOM 973 CA SER A 59 -4.046 -8.625 1.651 1.00 0.00 C ATOM 974 C SER A 59 -4.493 -10.080 1.547 1.00 0.00 C ATOM 975 O SER A 59 -3.730 -10.998 1.846 1.00 0.00 O ATOM 976 CB SER A 59 -2.950 -8.342 0.622 1.00 0.00 C ATOM 977 OG SER A 59 -2.182 -9.505 0.362 1.00 0.00 O ATOM 0 H SER A 59 -2.636 -7.912 3.029 1.00 0.00 H new ATOM 0 HA SER A 59 -4.903 -7.984 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.400 -7.985 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.300 -7.547 0.988 1.00 0.00 H new ATOM 0 HG SER A 59 -2.111 -10.040 1.180 1.00 0.00 H new ATOM 983 N GLY A 60 -5.737 -10.282 1.122 1.00 0.00 N ATOM 984 CA GLY A 60 -6.264 -11.627 0.987 1.00 0.00 C ATOM 985 C GLY A 60 -6.695 -12.217 2.316 1.00 0.00 C ATOM 986 O GLY A 60 -7.195 -13.341 2.372 1.00 0.00 O ATOM 0 H GLY A 60 -6.388 -9.539 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.115 -11.614 0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.505 -12.268 0.537 1.00 0.00 H new ATOM 990 N LYS A 61 -6.500 -11.459 3.389 1.00 0.00 N ATOM 991 CA LYS A 61 -6.871 -11.912 4.724 1.00 0.00 C ATOM 992 C LYS A 61 -7.647 -10.830 5.469 1.00 0.00 C ATOM 993 O LYS A 61 -7.980 -10.990 6.644 1.00 0.00 O ATOM 994 CB LYS A 61 -5.621 -12.297 5.519 1.00 0.00 C ATOM 995 CG LYS A 61 -5.226 -13.756 5.363 1.00 0.00 C ATOM 996 CD LYS A 61 -5.908 -14.632 6.399 1.00 0.00 C ATOM 997 CE LYS A 61 -7.324 -14.993 5.980 1.00 0.00 C ATOM 998 NZ LYS A 61 -7.906 -16.055 6.846 1.00 0.00 N ATOM 0 H LYS A 61 -6.087 -10.527 3.360 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.512 -12.787 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.790 -11.668 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.793 -12.087 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.490 -14.100 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.145 -13.853 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.328 -15.543 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.932 -14.112 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.953 -14.104 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.321 -15.331 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.872 -16.272 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.320 -16.912 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.933 -15.723 7.831 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.933 -9.732 4.779 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.673 -8.625 5.375 1.00 0.00 C ATOM 1014 C VAL A 62 -9.662 -8.027 4.382 1.00 0.00 C ATOM 1015 O VAL A 62 -9.306 -7.720 3.245 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.724 -7.517 5.869 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.516 -6.339 6.415 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.770 -8.062 6.920 1.00 0.00 C ATOM 0 H VAL A 62 -7.664 -9.584 3.806 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.219 -9.031 6.226 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.133 -7.165 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.828 -5.566 6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.153 -5.934 5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.135 -6.672 7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.107 -7.265 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.341 -8.443 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.177 -8.869 6.490 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.907 -7.864 4.819 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.949 -7.303 3.967 1.00 0.00 C ATOM 1030 C GLU A 63 -12.561 -6.059 4.604 1.00 0.00 C ATOM 1031 O GLU A 63 -12.950 -6.074 5.772 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.039 -8.344 3.703 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.075 -7.896 2.686 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.048 -8.999 2.319 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.479 -9.736 3.231 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.379 -9.126 1.121 1.00 0.00 O ATOM 0 H GLU A 63 -11.218 -8.113 5.758 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.493 -7.018 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.573 -9.265 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.541 -8.578 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.629 -7.047 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.568 -7.549 1.785 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.642 -4.984 3.828 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.206 -3.730 4.315 1.00 0.00 C ATOM 1045 C LEU A 64 -14.467 -3.362 3.541 1.00 0.00 C ATOM 1046 O LEU A 64 -14.437 -3.219 2.318 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.176 -2.605 4.199 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.343 -1.438 5.174 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.061 -1.887 6.598 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.429 -0.284 4.785 1.00 0.00 C ATOM 0 H LEU A 64 -12.324 -4.955 2.859 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.472 -3.864 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.183 -3.032 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.211 -2.211 3.183 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.375 -1.092 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.185 -1.043 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.756 -2.680 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.039 -2.260 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.561 0.538 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.392 -0.618 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.679 0.056 3.780 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.574 -3.209 4.259 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.846 -2.855 3.639 1.00 0.00 C ATOM 1064 C HIS A 65 -17.263 -3.907 2.616 1.00 0.00 C ATOM 1065 O HIS A 65 -17.722 -3.576 1.523 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.747 -1.485 2.968 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.910 -0.339 3.918 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.135 0.214 4.227 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -15.995 0.358 4.630 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -17.966 1.201 5.087 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.676 1.310 5.349 1.00 0.00 N ATOM 0 H HIS A 65 -15.617 -3.325 5.272 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.604 -2.814 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.779 -1.401 2.473 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.509 -1.414 2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.927 0.196 4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.750 1.815 5.505 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.254 1.990 5.982 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.099 -5.176 2.977 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.461 -6.256 2.080 1.00 0.00 C ATOM 1081 C GLY A 66 -16.529 -6.358 0.888 1.00 0.00 C ATOM 1082 O GLY A 66 -16.680 -7.242 0.045 1.00 0.00 O ATOM 0 H GLY A 66 -16.721 -5.475 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.449 -7.198 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.481 -6.105 1.728 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.561 -5.451 0.817 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.600 -5.440 -0.279 1.00 0.00 C ATOM 1088 C LYS A 67 -13.218 -5.870 0.205 1.00 0.00 C ATOM 1089 O LYS A 67 -12.687 -5.313 1.167 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.522 -4.046 -0.904 1.00 0.00 C ATOM 1091 CG LYS A 67 -15.875 -3.483 -1.305 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.235 -3.860 -2.731 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.723 -3.683 -2.996 1.00 0.00 C ATOM 1094 NZ LYS A 67 -18.522 -4.818 -2.455 1.00 0.00 N ATOM 0 H LYS A 67 -15.421 -4.713 1.507 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.939 -6.150 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.050 -3.365 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.880 -4.087 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.641 -3.855 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.862 -2.397 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.665 -3.244 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.952 -4.896 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.064 -2.751 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.893 -3.598 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.530 -4.660 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.214 -5.704 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.380 -4.884 -1.427 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.641 -6.859 -0.468 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.321 -7.359 -0.107 1.00 0.00 C ATOM 1110 C ILE A 68 -10.239 -6.333 -0.423 1.00 0.00 C ATOM 1111 O ILE A 68 -10.164 -5.818 -1.537 1.00 0.00 O ATOM 1112 CB ILE A 68 -10.996 -8.673 -0.843 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.141 -9.675 -0.673 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.691 -9.260 -0.328 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.260 -10.222 0.733 1.00 0.00 C ATOM 0 H ILE A 68 -13.067 -7.330 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.338 -7.547 0.967 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.881 -8.458 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.079 -9.193 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.994 -10.504 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.475 -10.188 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.881 -8.550 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.780 -9.464 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.091 -10.925 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.336 -10.733 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.438 -9.402 1.429 1.00 0.00 H new ATOM 1127 N MET A 69 -9.401 -6.041 0.567 1.00 0.00 N ATOM 1128 CA MET A 69 -8.320 -5.078 0.394 1.00 0.00 C ATOM 1129 C MET A 69 -7.078 -5.751 -0.181 1.00 0.00 C ATOM 1130 O MET A 69 -6.657 -6.807 0.293 1.00 0.00 O ATOM 1131 CB MET A 69 -7.982 -4.414 1.730 1.00 0.00 C ATOM 1132 CG MET A 69 -6.912 -5.149 2.521 1.00 0.00 C ATOM 1133 SD MET A 69 -6.890 -4.680 4.262 1.00 0.00 S ATOM 1134 CE MET A 69 -6.768 -2.899 4.132 1.00 0.00 C ATOM 0 H MET A 69 -9.450 -6.458 1.497 1.00 0.00 H new ATOM 0 HA MET A 69 -8.656 -4.315 -0.309 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.648 -3.393 1.545 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.888 -4.349 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.079 -6.223 2.440 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.936 -4.945 2.081 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.099 -2.523 4.906 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.375 -2.632 3.151 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.756 -2.456 4.260 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.496 -5.135 -1.205 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.304 -5.677 -1.844 1.00 0.00 C ATOM 1146 C GLU A 70 -4.112 -4.742 -1.657 1.00 0.00 C ATOM 1147 O GLU A 70 -4.156 -3.575 -2.049 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.557 -5.905 -3.337 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.236 -7.229 -3.644 1.00 0.00 C ATOM 1150 CD GLU A 70 -6.831 -7.269 -5.038 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -7.409 -6.249 -5.468 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -6.719 -8.323 -5.699 1.00 0.00 O ATOM 0 H GLU A 70 -6.831 -4.261 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.073 -6.632 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.174 -5.092 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.606 -5.862 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.512 -8.037 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.023 -7.408 -2.912 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.048 -5.262 -1.053 1.00 0.00 N ATOM 1160 CA VAL A 71 -1.845 -4.475 -0.814 1.00 0.00 C ATOM 1161 C VAL A 71 -0.681 -4.976 -1.662 1.00 0.00 C ATOM 1162 O VAL A 71 -0.368 -6.166 -1.663 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.436 -4.513 0.671 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.348 -3.489 0.952 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.646 -4.278 1.563 1.00 0.00 C ATOM 0 H VAL A 71 -2.995 -6.225 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.079 -3.448 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.036 -5.502 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.072 -3.531 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.526 -3.709 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.717 -2.492 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.339 -4.308 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.079 -3.303 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.389 -5.055 1.381 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.046 -4.060 -2.384 1.00 0.00 N ATOM 1176 CA ASP A 72 1.084 -4.407 -3.237 1.00 0.00 C ATOM 1177 C ASP A 72 2.004 -3.206 -3.437 1.00 0.00 C ATOM 1178 O ASP A 72 1.562 -2.058 -3.384 1.00 0.00 O ATOM 1179 CB ASP A 72 0.590 -4.919 -4.591 1.00 0.00 C ATOM 1180 CG ASP A 72 0.007 -6.316 -4.505 1.00 0.00 C ATOM 1181 OD1 ASP A 72 0.776 -7.290 -4.641 1.00 0.00 O ATOM 1182 OD2 ASP A 72 -1.220 -6.435 -4.301 1.00 0.00 O ATOM 0 H ASP A 72 -0.295 -3.071 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 72 1.651 -5.197 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.166 -4.237 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.417 -4.917 -5.301 1.00 0.00 H new ATOM 1187 N TYR A 73 3.283 -3.479 -3.667 1.00 0.00 N ATOM 1188 CA TYR A 73 4.266 -2.421 -3.872 1.00 0.00 C ATOM 1189 C TYR A 73 3.840 -1.496 -5.009 1.00 0.00 C ATOM 1190 O TYR A 73 3.302 -1.945 -6.021 1.00 0.00 O ATOM 1191 CB TYR A 73 5.638 -3.023 -4.176 1.00 0.00 C ATOM 1192 CG TYR A 73 5.971 -4.230 -3.328 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.269 -4.094 -1.978 1.00 0.00 C ATOM 1194 CD2 TYR A 73 5.991 -5.507 -3.877 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.574 -5.192 -1.199 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.293 -6.611 -3.105 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.585 -6.449 -1.767 1.00 0.00 C ATOM 1198 OH TYR A 73 6.889 -7.547 -0.995 1.00 0.00 O ATOM 0 H TYR A 73 3.664 -4.424 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 73 4.329 -1.835 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.676 -3.307 -5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.402 -2.260 -4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.262 -3.111 -1.530 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.766 -5.638 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.803 -5.068 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.301 -7.597 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 73 6.852 -8.356 -1.547 1.00 0.00 H new ATOM 1208 N SER A 74 4.088 -0.202 -4.834 1.00 0.00 N ATOM 1209 CA SER A 74 3.729 0.788 -5.842 1.00 0.00 C ATOM 1210 C SER A 74 4.798 0.871 -6.926 1.00 0.00 C ATOM 1211 O SER A 74 4.489 0.898 -8.118 1.00 0.00 O ATOM 1212 CB SER A 74 3.537 2.161 -5.194 1.00 0.00 C ATOM 1213 OG SER A 74 4.733 2.607 -4.579 1.00 0.00 O ATOM 0 H SER A 74 4.536 0.185 -4.003 1.00 0.00 H new ATOM 0 HA SER A 74 2.791 0.477 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.222 2.882 -5.949 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.741 2.108 -4.452 1.00 0.00 H new ATOM 0 HG SER A 74 4.857 2.139 -3.727 1.00 0.00 H new ATOM 1219 N VAL A 75 6.058 0.910 -6.505 1.00 0.00 N ATOM 1220 CA VAL A 75 7.174 0.989 -7.440 1.00 0.00 C ATOM 1221 C VAL A 75 6.804 1.807 -8.671 1.00 0.00 C ATOM 1222 O VAL A 75 7.077 1.404 -9.802 1.00 0.00 O ATOM 1223 CB VAL A 75 7.632 -0.413 -7.887 1.00 0.00 C ATOM 1224 CG1 VAL A 75 8.084 -1.234 -6.689 1.00 0.00 C ATOM 1225 CG2 VAL A 75 6.516 -1.122 -8.640 1.00 0.00 C ATOM 0 H VAL A 75 6.332 0.888 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 75 7.993 1.481 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 75 8.481 -0.302 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.404 -2.221 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.916 -0.731 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.257 -1.340 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.856 -2.111 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.646 -1.224 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.245 -0.540 -9.521 1.00 0.00 H new ATOM 1235 N SER A 76 6.181 2.960 -8.444 1.00 0.00 N ATOM 1236 CA SER A 76 5.770 3.834 -9.535 1.00 0.00 C ATOM 1237 C SER A 76 6.921 4.735 -9.974 1.00 0.00 C ATOM 1238 O SER A 76 6.752 5.944 -10.136 1.00 0.00 O ATOM 1239 CB SER A 76 4.573 4.687 -9.110 1.00 0.00 C ATOM 1240 OG SER A 76 4.939 5.610 -8.099 1.00 0.00 O ATOM 0 H SER A 76 5.950 3.310 -7.514 1.00 0.00 H new ATOM 0 HA SER A 76 5.480 3.208 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.181 5.225 -9.973 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.773 4.042 -8.746 1.00 0.00 H new ATOM 0 HG SER A 76 5.623 6.220 -8.445 1.00 0.00 H new ATOM 1246 N LYS A 77 8.093 4.138 -10.161 1.00 0.00 N ATOM 1247 CA LYS A 77 9.274 4.883 -10.580 1.00 0.00 C ATOM 1248 C LYS A 77 9.729 4.445 -11.969 1.00 0.00 C ATOM 1249 O LYS A 77 10.924 4.299 -12.226 1.00 0.00 O ATOM 1250 CB LYS A 77 10.410 4.686 -9.574 1.00 0.00 C ATOM 1251 CG LYS A 77 11.527 5.706 -9.713 1.00 0.00 C ATOM 1252 CD LYS A 77 11.276 6.930 -8.850 1.00 0.00 C ATOM 1253 CE LYS A 77 12.523 7.793 -8.729 1.00 0.00 C ATOM 1254 NZ LYS A 77 13.605 7.101 -7.975 1.00 0.00 N ATOM 0 H LYS A 77 8.250 3.139 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 77 9.011 5.940 -10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.004 4.740 -8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.825 3.686 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.475 5.249 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.617 6.008 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.465 7.519 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.952 6.616 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.883 8.053 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.271 8.727 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.303 7.800 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.197 6.611 -7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.072 6.408 -8.595 1.00 0.00 H new ATOM 1268 N LYS A 78 8.768 4.238 -12.864 1.00 0.00 N ATOM 1269 CA LYS A 78 9.068 3.819 -14.228 1.00 0.00 C ATOM 1270 C LYS A 78 9.496 5.011 -15.080 1.00 0.00 C ATOM 1271 O LYS A 78 10.526 4.966 -15.755 1.00 0.00 O ATOM 1272 CB LYS A 78 7.849 3.141 -14.855 1.00 0.00 C ATOM 1273 CG LYS A 78 7.993 2.889 -16.346 1.00 0.00 C ATOM 1274 CD LYS A 78 6.670 2.490 -16.975 1.00 0.00 C ATOM 1275 CE LYS A 78 5.746 3.687 -17.140 1.00 0.00 C ATOM 1276 NZ LYS A 78 4.312 3.297 -17.053 1.00 0.00 N ATOM 0 H LYS A 78 7.774 4.354 -12.668 1.00 0.00 H new ATOM 0 HA LYS A 78 9.892 3.106 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.672 2.191 -14.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.970 3.762 -14.683 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.372 3.788 -16.833 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.728 2.102 -16.513 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.852 2.033 -17.948 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.184 1.737 -16.355 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.969 4.426 -16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.935 4.162 -18.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.715 4.141 -17.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.093 2.611 -17.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.125 2.867 -16.125 1.00 0.00 H new ATOM 1290 N LEU A 79 8.701 6.074 -15.043 1.00 0.00 N ATOM 1291 CA LEU A 79 8.998 7.278 -15.812 1.00 0.00 C ATOM 1292 C LEU A 79 9.885 8.227 -15.014 1.00 0.00 C ATOM 1293 O LEU A 79 9.882 8.209 -13.783 1.00 0.00 O ATOM 1294 CB LEU A 79 7.701 7.985 -16.210 1.00 0.00 C ATOM 1295 CG LEU A 79 7.006 8.782 -15.106 1.00 0.00 C ATOM 1296 CD1 LEU A 79 6.079 9.828 -15.704 1.00 0.00 C ATOM 1297 CD2 LEU A 79 6.236 7.851 -14.180 1.00 0.00 C ATOM 0 H LEU A 79 7.846 6.127 -14.489 1.00 0.00 H new ATOM 0 HA LEU A 79 9.534 6.982 -16.714 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.918 8.661 -17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.003 7.237 -16.585 1.00 0.00 H new ATOM 0 HG LEU A 79 7.769 9.295 -14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.594 10.385 -14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.656 10.514 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.322 9.336 -16.315 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.748 8.436 -13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.483 7.309 -14.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.925 7.141 -13.723 1.00 0.00 H new ATOM 1309 N ARG A 80 10.643 9.057 -15.724 1.00 0.00 N ATOM 1310 CA ARG A 80 11.535 10.016 -15.082 1.00 0.00 C ATOM 1311 C ARG A 80 11.898 11.147 -16.040 1.00 0.00 C ATOM 1312 O ARG A 80 11.478 11.152 -17.197 1.00 0.00 O ATOM 1313 CB ARG A 80 12.806 9.317 -14.597 1.00 0.00 C ATOM 1314 CG ARG A 80 13.597 8.651 -15.711 1.00 0.00 C ATOM 1315 CD ARG A 80 14.532 7.582 -15.168 1.00 0.00 C ATOM 1316 NE ARG A 80 15.838 8.128 -14.808 1.00 0.00 N ATOM 1317 CZ ARG A 80 16.849 7.387 -14.369 1.00 0.00 C ATOM 1318 NH1 ARG A 80 16.706 6.076 -14.236 1.00 0.00 N ATOM 1319 NH2 ARG A 80 18.007 7.958 -14.062 1.00 0.00 N ATOM 0 H ARG A 80 10.657 9.085 -16.744 1.00 0.00 H new ATOM 0 HA ARG A 80 11.013 10.442 -14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.443 10.046 -14.096 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.537 8.566 -13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 80 12.910 8.204 -16.430 1.00 0.00 H new ATOM 0 HG3 ARG A 80 14.175 9.403 -16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.080 7.116 -14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 80 14.660 6.799 -15.915 1.00 0.00 H new ATOM 0 HE ARG A 80 15.981 9.134 -14.899 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.818 5.633 -14.471 1.00 0.00 H new ATOM 0 HH12 ARG A 80 17.484 5.510 -13.899 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.121 8.967 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.783 7.388 -13.725 1.00 0.00 H new ATOM 1333 N SER A 81 12.680 12.104 -15.549 1.00 0.00 N ATOM 1334 CA SER A 81 13.095 13.242 -16.360 1.00 0.00 C ATOM 1335 C SER A 81 14.181 12.835 -17.352 1.00 0.00 C ATOM 1336 O SER A 81 15.001 11.962 -17.068 1.00 0.00 O ATOM 1337 CB SER A 81 13.605 14.373 -15.464 1.00 0.00 C ATOM 1338 OG SER A 81 13.960 15.511 -16.232 1.00 0.00 O ATOM 0 H SER A 81 13.038 12.113 -14.594 1.00 0.00 H new ATOM 0 HA SER A 81 12.229 13.593 -16.920 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.835 14.644 -14.741 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.469 14.030 -14.896 1.00 0.00 H new ATOM 0 HG SER A 81 14.281 16.220 -15.637 1.00 0.00 H new ATOM 1344 N SER A 82 14.178 13.474 -18.518 1.00 0.00 N ATOM 1345 CA SER A 82 15.158 13.176 -19.554 1.00 0.00 C ATOM 1346 C SER A 82 15.197 14.287 -20.599 1.00 0.00 C ATOM 1347 O SER A 82 14.212 14.992 -20.810 1.00 0.00 O ATOM 1348 CB SER A 82 14.833 11.840 -20.226 1.00 0.00 C ATOM 1349 OG SER A 82 15.327 10.753 -19.463 1.00 0.00 O ATOM 0 H SER A 82 13.508 14.201 -18.768 1.00 0.00 H new ATOM 0 HA SER A 82 16.139 13.108 -19.083 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.754 11.743 -20.347 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.269 11.816 -21.225 1.00 0.00 H new ATOM 0 HG SER A 82 15.391 11.017 -18.521 1.00 0.00 H new ATOM 1355 N GLY A 83 16.347 14.438 -21.252 1.00 0.00 N ATOM 1356 CA GLY A 83 16.496 15.464 -22.267 1.00 0.00 C ATOM 1357 C GLY A 83 17.591 15.140 -23.263 1.00 0.00 C ATOM 1358 O GLY A 83 18.719 15.622 -23.155 1.00 0.00 O ATOM 0 H GLY A 83 17.178 13.867 -21.095 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.551 15.586 -22.797 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.717 16.417 -21.786 1.00 0.00 H new ATOM 1362 N PRO A 84 17.262 14.305 -24.259 1.00 0.00 N ATOM 1363 CA PRO A 84 18.214 13.897 -25.297 1.00 0.00 C ATOM 1364 C PRO A 84 18.566 15.041 -26.241 1.00 0.00 C ATOM 1365 O PRO A 84 17.684 15.688 -26.805 1.00 0.00 O ATOM 1366 CB PRO A 84 17.468 12.793 -26.049 1.00 0.00 C ATOM 1367 CG PRO A 84 16.025 13.090 -25.824 1.00 0.00 C ATOM 1368 CD PRO A 84 15.937 13.693 -24.449 1.00 0.00 C ATOM 0 HA PRO A 84 19.165 13.574 -24.874 1.00 0.00 H new ATOM 0 HB2 PRO A 84 17.713 12.802 -27.111 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.733 11.806 -25.669 1.00 0.00 H new ATOM 0 HG2 PRO A 84 15.646 13.780 -26.578 1.00 0.00 H new ATOM 0 HG3 PRO A 84 15.424 12.183 -25.892 1.00 0.00 H new ATOM 0 HD2 PRO A 84 15.140 14.433 -24.385 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.731 12.937 -23.691 1.00 0.00 H new ATOM 1376 N SER A 85 19.862 15.287 -26.410 1.00 0.00 N ATOM 1377 CA SER A 85 20.330 16.355 -27.284 1.00 0.00 C ATOM 1378 C SER A 85 20.696 15.810 -28.661 1.00 0.00 C ATOM 1379 O SER A 85 21.783 15.267 -28.858 1.00 0.00 O ATOM 1380 CB SER A 85 21.540 17.057 -26.664 1.00 0.00 C ATOM 1381 OG SER A 85 21.134 18.115 -25.812 1.00 0.00 O ATOM 0 H SER A 85 20.606 14.760 -25.952 1.00 0.00 H new ATOM 0 HA SER A 85 19.520 17.075 -27.401 1.00 0.00 H new ATOM 0 HB2 SER A 85 22.132 16.337 -26.099 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.182 17.447 -27.454 1.00 0.00 H new ATOM 0 HG SER A 85 21.925 18.547 -25.427 1.00 0.00 H new ATOM 1387 N SER A 86 19.779 15.959 -29.613 1.00 0.00 N ATOM 1388 CA SER A 86 20.003 15.478 -30.971 1.00 0.00 C ATOM 1389 C SER A 86 19.063 16.171 -31.954 1.00 0.00 C ATOM 1390 O SER A 86 17.844 16.139 -31.793 1.00 0.00 O ATOM 1391 CB SER A 86 19.801 13.963 -31.038 1.00 0.00 C ATOM 1392 OG SER A 86 20.170 13.455 -32.309 1.00 0.00 O ATOM 0 H SER A 86 18.875 16.409 -29.468 1.00 0.00 H new ATOM 0 HA SER A 86 21.030 15.713 -31.249 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.395 13.479 -30.263 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.757 13.723 -30.836 1.00 0.00 H new ATOM 0 HG SER A 86 20.033 12.485 -32.326 1.00 0.00 H new ATOM 1398 N GLY A 87 19.642 16.799 -32.974 1.00 0.00 N ATOM 1399 CA GLY A 87 18.843 17.491 -33.967 1.00 0.00 C ATOM 1400 C GLY A 87 19.043 16.935 -35.362 1.00 0.00 C ATOM 1401 O GLY A 87 18.122 16.368 -35.949 1.00 0.00 O ATOM 0 H GLY A 87 20.649 16.840 -33.129 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.790 17.417 -33.697 1.00 0.00 H new ATOM 0 HA3 GLY A 87 19.100 18.550 -33.961 1.00 0.00 H new TER 1405 GLY A 87