USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 298 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0189 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -2.06! (180deg=-2.81!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.785 F(o=-2,f=-0.79) USER MOD Single : A 33 HIS : no HE2:sc= -0.0941 X(o=-0.094,f=-0.56) USER MOD Single : A 34 THR OG1 : rot 5:sc= -0.0457 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.015 USER MOD Single : A 43 SER OG : rot -60:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.190 6.263 -5.590 1.00 0.00 N ATOM 2 CA GLY A 1 24.759 6.334 -5.817 1.00 0.00 C ATOM 3 C GLY A 1 24.000 5.245 -5.084 1.00 0.00 C ATOM 4 O GLY A 1 24.388 4.839 -3.989 1.00 0.00 O ATOM 0 H1 GLY A 1 26.544 7.200 -5.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.388 5.578 -4.833 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.666 5.960 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.391 7.308 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.560 6.255 -6.886 1.00 0.00 H new ATOM 8 N SER A 2 22.916 4.772 -5.689 1.00 0.00 N ATOM 9 CA SER A 2 22.098 3.727 -5.085 1.00 0.00 C ATOM 10 C SER A 2 22.776 2.366 -5.210 1.00 0.00 C ATOM 11 O SER A 2 23.200 1.969 -6.295 1.00 0.00 O ATOM 12 CB SER A 2 20.718 3.685 -5.744 1.00 0.00 C ATOM 13 OG SER A 2 19.952 4.826 -5.398 1.00 0.00 O ATOM 0 H SER A 2 22.583 5.096 -6.597 1.00 0.00 H new ATOM 0 HA SER A 2 21.980 3.959 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.830 3.633 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.191 2.782 -5.435 1.00 0.00 H new ATOM 0 HG SER A 2 19.075 4.776 -5.833 1.00 0.00 H new ATOM 19 N SER A 3 22.873 1.655 -4.091 1.00 0.00 N ATOM 20 CA SER A 3 23.503 0.340 -4.073 1.00 0.00 C ATOM 21 C SER A 3 22.687 -0.664 -4.882 1.00 0.00 C ATOM 22 O SER A 3 21.466 -0.737 -4.751 1.00 0.00 O ATOM 23 CB SER A 3 23.659 -0.155 -2.633 1.00 0.00 C ATOM 24 OG SER A 3 24.873 0.305 -2.065 1.00 0.00 O ATOM 0 H SER A 3 22.523 1.968 -3.185 1.00 0.00 H new ATOM 0 HA SER A 3 24.490 0.431 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.818 0.192 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.635 -1.245 -2.615 1.00 0.00 H new ATOM 0 HG SER A 3 24.949 -0.023 -1.145 1.00 0.00 H new ATOM 30 N GLY A 4 23.372 -1.436 -5.719 1.00 0.00 N ATOM 31 CA GLY A 4 22.696 -2.426 -6.538 1.00 0.00 C ATOM 32 C GLY A 4 22.311 -3.663 -5.752 1.00 0.00 C ATOM 33 O GLY A 4 22.904 -4.728 -5.927 1.00 0.00 O ATOM 0 H GLY A 4 24.383 -1.394 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.801 -1.983 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.345 -2.713 -7.366 1.00 0.00 H new ATOM 37 N SER A 5 21.316 -3.524 -4.882 1.00 0.00 N ATOM 38 CA SER A 5 20.856 -4.639 -4.062 1.00 0.00 C ATOM 39 C SER A 5 19.351 -4.557 -3.829 1.00 0.00 C ATOM 40 O SER A 5 18.707 -3.573 -4.195 1.00 0.00 O ATOM 41 CB SER A 5 21.592 -4.650 -2.720 1.00 0.00 C ATOM 42 OG SER A 5 22.991 -4.773 -2.907 1.00 0.00 O ATOM 0 H SER A 5 20.813 -2.650 -4.727 1.00 0.00 H new ATOM 0 HA SER A 5 21.073 -5.564 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.374 -3.732 -2.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.229 -5.477 -2.110 1.00 0.00 H new ATOM 0 HG SER A 5 23.439 -4.776 -2.035 1.00 0.00 H new ATOM 48 N SER A 6 18.796 -5.597 -3.216 1.00 0.00 N ATOM 49 CA SER A 6 17.365 -5.646 -2.937 1.00 0.00 C ATOM 50 C SER A 6 16.940 -4.463 -2.073 1.00 0.00 C ATOM 51 O SER A 6 15.853 -3.913 -2.246 1.00 0.00 O ATOM 52 CB SER A 6 17.005 -6.958 -2.237 1.00 0.00 C ATOM 53 OG SER A 6 17.739 -7.114 -1.035 1.00 0.00 O ATOM 0 H SER A 6 19.315 -6.417 -2.903 1.00 0.00 H new ATOM 0 HA SER A 6 16.832 -5.591 -3.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.937 -6.976 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.209 -7.797 -2.903 1.00 0.00 H new ATOM 0 HG SER A 6 17.489 -7.959 -0.606 1.00 0.00 H new ATOM 59 N GLY A 7 17.806 -4.077 -1.141 1.00 0.00 N ATOM 60 CA GLY A 7 17.503 -2.961 -0.263 1.00 0.00 C ATOM 61 C GLY A 7 16.744 -3.389 0.977 1.00 0.00 C ATOM 62 O GLY A 7 16.707 -4.573 1.312 1.00 0.00 O ATOM 0 H GLY A 7 18.712 -4.517 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.432 -2.473 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.915 -2.223 -0.808 1.00 0.00 H new ATOM 66 N GLU A 8 16.140 -2.424 1.662 1.00 0.00 N ATOM 67 CA GLU A 8 15.381 -2.708 2.874 1.00 0.00 C ATOM 68 C GLU A 8 13.966 -2.144 2.775 1.00 0.00 C ATOM 69 O GLU A 8 13.704 -1.016 3.193 1.00 0.00 O ATOM 70 CB GLU A 8 16.091 -2.122 4.096 1.00 0.00 C ATOM 71 CG GLU A 8 16.509 -0.672 3.920 1.00 0.00 C ATOM 72 CD GLU A 8 17.882 -0.533 3.291 1.00 0.00 C ATOM 73 OE1 GLU A 8 18.765 -1.357 3.605 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.071 0.400 2.483 1.00 0.00 O ATOM 0 H GLU A 8 16.161 -1.439 1.399 1.00 0.00 H new ATOM 0 HA GLU A 8 15.315 -3.790 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.431 -2.199 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.974 -2.722 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.775 -0.159 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.506 -0.177 4.891 1.00 0.00 H new ATOM 81 N LYS A 9 13.057 -2.937 2.218 1.00 0.00 N ATOM 82 CA LYS A 9 11.669 -2.519 2.064 1.00 0.00 C ATOM 83 C LYS A 9 11.568 -1.283 1.176 1.00 0.00 C ATOM 84 O LYS A 9 10.997 -0.261 1.557 1.00 0.00 O ATOM 85 CB LYS A 9 11.046 -2.231 3.432 1.00 0.00 C ATOM 86 CG LYS A 9 10.861 -3.470 4.290 1.00 0.00 C ATOM 87 CD LYS A 9 10.747 -3.117 5.763 1.00 0.00 C ATOM 88 CE LYS A 9 11.150 -4.285 6.650 1.00 0.00 C ATOM 89 NZ LYS A 9 10.730 -4.079 8.064 1.00 0.00 N ATOM 0 H LYS A 9 13.257 -3.873 1.866 1.00 0.00 H new ATOM 0 HA LYS A 9 11.122 -3.332 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.676 -1.520 3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.078 -1.752 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.965 -4.003 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.703 -4.146 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.380 -2.257 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.722 -2.824 5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.702 -5.202 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.231 -4.417 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.023 -4.897 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.177 -3.217 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.696 -3.979 8.108 1.00 0.00 H new ATOM 103 N PRO A 10 12.133 -1.376 -0.036 1.00 0.00 N ATOM 104 CA PRO A 10 12.118 -0.275 -1.004 1.00 0.00 C ATOM 105 C PRO A 10 10.724 -0.016 -1.565 1.00 0.00 C ATOM 106 O PRO A 10 10.499 0.973 -2.263 1.00 0.00 O ATOM 107 CB PRO A 10 13.058 -0.761 -2.110 1.00 0.00 C ATOM 108 CG PRO A 10 13.018 -2.247 -2.015 1.00 0.00 C ATOM 109 CD PRO A 10 12.830 -2.564 -0.557 1.00 0.00 C ATOM 0 HA PRO A 10 12.423 0.669 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.727 -0.418 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.070 -0.382 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.202 -2.654 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.940 -2.687 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.240 -3.470 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.784 -2.723 -0.054 1.00 0.00 H new ATOM 117 N TYR A 11 9.791 -0.910 -1.256 1.00 0.00 N ATOM 118 CA TYR A 11 8.419 -0.778 -1.732 1.00 0.00 C ATOM 119 C TYR A 11 7.471 -0.463 -0.580 1.00 0.00 C ATOM 120 O TYR A 11 7.730 -0.821 0.568 1.00 0.00 O ATOM 121 CB TYR A 11 7.976 -2.063 -2.435 1.00 0.00 C ATOM 122 CG TYR A 11 8.938 -2.531 -3.503 1.00 0.00 C ATOM 123 CD1 TYR A 11 10.005 -3.364 -3.188 1.00 0.00 C ATOM 124 CD2 TYR A 11 8.780 -2.142 -4.828 1.00 0.00 C ATOM 125 CE1 TYR A 11 10.886 -3.794 -4.161 1.00 0.00 C ATOM 126 CE2 TYR A 11 9.656 -2.568 -5.807 1.00 0.00 C ATOM 127 CZ TYR A 11 10.708 -3.394 -5.469 1.00 0.00 C ATOM 128 OH TYR A 11 11.583 -3.821 -6.441 1.00 0.00 O ATOM 0 H TYR A 11 9.960 -1.734 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 11 8.385 0.048 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.859 -2.852 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.997 -1.902 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.148 -3.680 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.958 -1.495 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.710 -4.440 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.518 -2.256 -6.832 1.00 0.00 H new ATOM 0 HH TYR A 11 11.316 -3.450 -7.308 1.00 0.00 H new ATOM 138 N GLY A 12 6.369 0.211 -0.896 1.00 0.00 N ATOM 139 CA GLY A 12 5.397 0.564 0.123 1.00 0.00 C ATOM 140 C GLY A 12 4.042 0.908 -0.463 1.00 0.00 C ATOM 141 O GLY A 12 3.887 0.988 -1.682 1.00 0.00 O ATOM 0 H GLY A 12 6.132 0.519 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.288 -0.267 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.768 1.414 0.696 1.00 0.00 H new ATOM 145 N CYS A 13 3.058 1.112 0.406 1.00 0.00 N ATOM 146 CA CYS A 13 1.709 1.448 -0.031 1.00 0.00 C ATOM 147 C CYS A 13 1.252 2.770 0.579 1.00 0.00 C ATOM 148 O CYS A 13 1.049 2.870 1.788 1.00 0.00 O ATOM 149 CB CYS A 13 0.734 0.333 0.353 1.00 0.00 C ATOM 150 SG CYS A 13 -0.909 0.482 -0.421 1.00 0.00 S ATOM 0 H CYS A 13 3.170 1.050 1.418 1.00 0.00 H new ATOM 0 HA CYS A 13 1.722 1.554 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.169 -0.627 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.614 0.327 1.436 1.00 0.00 H new ATOM 155 N ASN A 14 1.093 3.782 -0.268 1.00 0.00 N ATOM 156 CA ASN A 14 0.661 5.098 0.187 1.00 0.00 C ATOM 157 C ASN A 14 -0.843 5.119 0.441 1.00 0.00 C ATOM 158 O ASN A 14 -1.323 5.830 1.324 1.00 0.00 O ATOM 159 CB ASN A 14 1.029 6.165 -0.846 1.00 0.00 C ATOM 160 CG ASN A 14 0.712 7.568 -0.367 1.00 0.00 C ATOM 161 OD1 ASN A 14 -0.231 8.200 -0.842 1.00 0.00 O ATOM 162 ND2 ASN A 14 1.503 8.063 0.578 1.00 0.00 N ATOM 0 H ASN A 14 1.257 3.716 -1.273 1.00 0.00 H new ATOM 0 HA ASN A 14 1.174 5.317 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.092 6.094 -1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.490 5.970 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.340 9.003 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.274 7.503 0.943 1.00 0.00 H new ATOM 169 N GLU A 15 -1.581 4.335 -0.338 1.00 0.00 N ATOM 170 CA GLU A 15 -3.031 4.264 -0.197 1.00 0.00 C ATOM 171 C GLU A 15 -3.430 4.168 1.273 1.00 0.00 C ATOM 172 O GLU A 15 -4.300 4.903 1.740 1.00 0.00 O ATOM 173 CB GLU A 15 -3.582 3.061 -0.966 1.00 0.00 C ATOM 174 CG GLU A 15 -3.235 3.074 -2.445 1.00 0.00 C ATOM 175 CD GLU A 15 -4.007 4.127 -3.216 1.00 0.00 C ATOM 176 OE1 GLU A 15 -4.388 5.148 -2.606 1.00 0.00 O ATOM 177 OE2 GLU A 15 -4.230 3.931 -4.429 1.00 0.00 O ATOM 0 H GLU A 15 -1.199 3.740 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.456 5.178 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.194 2.146 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.666 3.035 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.166 3.254 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.442 2.092 -2.871 1.00 0.00 H new ATOM 184 N CYS A 16 -2.788 3.257 1.996 1.00 0.00 N ATOM 185 CA CYS A 16 -3.076 3.063 3.412 1.00 0.00 C ATOM 186 C CYS A 16 -1.851 3.384 4.265 1.00 0.00 C ATOM 187 O CYS A 16 -1.960 4.023 5.310 1.00 0.00 O ATOM 188 CB CYS A 16 -3.527 1.624 3.670 1.00 0.00 C ATOM 189 SG CYS A 16 -2.245 0.372 3.343 1.00 0.00 S ATOM 0 H CYS A 16 -2.065 2.641 1.625 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.880 3.744 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.849 1.536 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.396 1.410 3.048 1.00 0.00 H new ATOM 194 N GLY A 17 -0.685 2.936 3.809 1.00 0.00 N ATOM 195 CA GLY A 17 0.543 3.185 4.541 1.00 0.00 C ATOM 196 C GLY A 17 1.244 1.904 4.948 1.00 0.00 C ATOM 197 O GLY A 17 1.819 1.820 6.034 1.00 0.00 O ATOM 0 H GLY A 17 -0.569 2.405 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.215 3.783 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.319 3.772 5.432 1.00 0.00 H new ATOM 201 N LYS A 18 1.197 0.903 4.077 1.00 0.00 N ATOM 202 CA LYS A 18 1.833 -0.381 4.351 1.00 0.00 C ATOM 203 C LYS A 18 3.236 -0.431 3.755 1.00 0.00 C ATOM 204 O LYS A 18 3.646 0.475 3.030 1.00 0.00 O ATOM 205 CB LYS A 18 0.986 -1.523 3.785 1.00 0.00 C ATOM 206 CG LYS A 18 1.436 -2.899 4.245 1.00 0.00 C ATOM 207 CD LYS A 18 0.272 -3.874 4.309 1.00 0.00 C ATOM 208 CE LYS A 18 -0.650 -3.566 5.478 1.00 0.00 C ATOM 209 NZ LYS A 18 -1.539 -4.716 5.802 1.00 0.00 N ATOM 0 H LYS A 18 0.725 0.955 3.174 1.00 0.00 H new ATOM 0 HA LYS A 18 1.912 -0.496 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.053 -1.373 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.019 -1.484 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.195 -3.282 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.901 -2.821 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.293 -3.830 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.653 -4.891 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.053 -3.311 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.258 -2.693 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.152 -4.466 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.127 -4.944 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.960 -5.542 6.053 1.00 0.00 H new ATOM 223 N ASP A 19 3.967 -1.496 4.065 1.00 0.00 N ATOM 224 CA ASP A 19 5.324 -1.666 3.558 1.00 0.00 C ATOM 225 C ASP A 19 5.623 -3.137 3.287 1.00 0.00 C ATOM 226 O ASP A 19 5.426 -3.991 4.152 1.00 0.00 O ATOM 227 CB ASP A 19 6.338 -1.102 4.554 1.00 0.00 C ATOM 228 CG ASP A 19 5.844 -1.173 5.986 1.00 0.00 C ATOM 229 OD1 ASP A 19 6.047 -2.223 6.631 1.00 0.00 O ATOM 230 OD2 ASP A 19 5.255 -0.180 6.460 1.00 0.00 O ATOM 0 H ASP A 19 3.643 -2.255 4.665 1.00 0.00 H new ATOM 0 HA ASP A 19 5.405 -1.118 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.274 -1.654 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.555 -0.065 4.299 1.00 0.00 H new ATOM 235 N PHE A 20 6.099 -3.427 2.080 1.00 0.00 N ATOM 236 CA PHE A 20 6.423 -4.795 1.695 1.00 0.00 C ATOM 237 C PHE A 20 7.874 -4.901 1.234 1.00 0.00 C ATOM 238 O PHE A 20 8.458 -3.928 0.759 1.00 0.00 O ATOM 239 CB PHE A 20 5.487 -5.269 0.581 1.00 0.00 C ATOM 240 CG PHE A 20 4.041 -4.949 0.836 1.00 0.00 C ATOM 241 CD1 PHE A 20 3.561 -3.662 0.658 1.00 0.00 C ATOM 242 CD2 PHE A 20 3.163 -5.936 1.255 1.00 0.00 C ATOM 243 CE1 PHE A 20 2.232 -3.365 0.893 1.00 0.00 C ATOM 244 CE2 PHE A 20 1.833 -5.645 1.491 1.00 0.00 C ATOM 245 CZ PHE A 20 1.366 -4.358 1.309 1.00 0.00 C ATOM 0 H PHE A 20 6.269 -2.733 1.352 1.00 0.00 H new ATOM 0 HA PHE A 20 6.290 -5.433 2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.792 -4.810 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.596 -6.347 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.233 -2.882 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.522 -6.944 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.870 -2.357 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.159 -6.423 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.327 -4.128 1.491 1.00 0.00 H new ATOM 255 N SER A 21 8.449 -6.091 1.380 1.00 0.00 N ATOM 256 CA SER A 21 9.833 -6.324 0.983 1.00 0.00 C ATOM 257 C SER A 21 9.941 -6.509 -0.527 1.00 0.00 C ATOM 258 O SER A 21 10.832 -5.953 -1.170 1.00 0.00 O ATOM 259 CB SER A 21 10.390 -7.555 1.700 1.00 0.00 C ATOM 260 OG SER A 21 11.807 -7.536 1.720 1.00 0.00 O ATOM 0 H SER A 21 7.978 -6.908 1.770 1.00 0.00 H new ATOM 0 HA SER A 21 10.419 -5.450 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.009 -7.588 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.042 -8.459 1.200 1.00 0.00 H new ATOM 0 HG SER A 21 12.138 -8.332 2.185 1.00 0.00 H new ATOM 266 N SER A 22 9.028 -7.295 -1.088 1.00 0.00 N ATOM 267 CA SER A 22 9.022 -7.557 -2.523 1.00 0.00 C ATOM 268 C SER A 22 7.931 -6.748 -3.218 1.00 0.00 C ATOM 269 O SER A 22 6.874 -6.485 -2.644 1.00 0.00 O ATOM 270 CB SER A 22 8.814 -9.049 -2.789 1.00 0.00 C ATOM 271 OG SER A 22 9.734 -9.832 -2.048 1.00 0.00 O ATOM 0 H SER A 22 8.283 -7.762 -0.571 1.00 0.00 H new ATOM 0 HA SER A 22 9.988 -7.254 -2.927 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.795 -9.330 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.933 -9.252 -3.853 1.00 0.00 H new ATOM 0 HG SER A 22 9.579 -10.782 -2.234 1.00 0.00 H new ATOM 277 N LYS A 23 8.196 -6.356 -4.460 1.00 0.00 N ATOM 278 CA LYS A 23 7.238 -5.578 -5.237 1.00 0.00 C ATOM 279 C LYS A 23 5.963 -6.377 -5.488 1.00 0.00 C ATOM 280 O LYS A 23 4.857 -5.847 -5.383 1.00 0.00 O ATOM 281 CB LYS A 23 7.858 -5.154 -6.571 1.00 0.00 C ATOM 282 CG LYS A 23 7.030 -4.130 -7.328 1.00 0.00 C ATOM 283 CD LYS A 23 7.489 -3.999 -8.771 1.00 0.00 C ATOM 284 CE LYS A 23 6.950 -2.730 -9.414 1.00 0.00 C ATOM 285 NZ LYS A 23 5.463 -2.740 -9.500 1.00 0.00 N ATOM 0 H LYS A 23 9.066 -6.564 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 23 6.980 -4.688 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.850 -4.742 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.991 -6.036 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.980 -4.421 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.104 -3.162 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.578 -3.993 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.156 -4.867 -9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.275 -1.864 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.371 -2.622 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.113 -1.764 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.167 -3.285 -10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.069 -3.178 -8.643 1.00 0.00 H new ATOM 299 N SER A 24 6.126 -7.654 -5.818 1.00 0.00 N ATOM 300 CA SER A 24 4.988 -8.526 -6.085 1.00 0.00 C ATOM 301 C SER A 24 3.938 -8.401 -4.985 1.00 0.00 C ATOM 302 O SER A 24 2.818 -7.951 -5.228 1.00 0.00 O ATOM 303 CB SER A 24 5.449 -9.980 -6.204 1.00 0.00 C ATOM 304 OG SER A 24 4.589 -10.719 -7.054 1.00 0.00 O ATOM 0 H SER A 24 7.035 -8.108 -5.907 1.00 0.00 H new ATOM 0 HA SER A 24 4.539 -8.217 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.466 -10.012 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.472 -10.440 -5.216 1.00 0.00 H new ATOM 0 HG SER A 24 4.906 -11.644 -7.115 1.00 0.00 H new ATOM 310 N TYR A 25 4.309 -8.803 -3.774 1.00 0.00 N ATOM 311 CA TYR A 25 3.399 -8.739 -2.637 1.00 0.00 C ATOM 312 C TYR A 25 2.590 -7.446 -2.657 1.00 0.00 C ATOM 313 O TYR A 25 1.379 -7.453 -2.433 1.00 0.00 O ATOM 314 CB TYR A 25 4.181 -8.844 -1.326 1.00 0.00 C ATOM 315 CG TYR A 25 4.638 -10.249 -1.004 1.00 0.00 C ATOM 316 CD1 TYR A 25 3.737 -11.307 -0.988 1.00 0.00 C ATOM 317 CD2 TYR A 25 5.969 -10.518 -0.714 1.00 0.00 C ATOM 318 CE1 TYR A 25 4.149 -12.592 -0.694 1.00 0.00 C ATOM 319 CE2 TYR A 25 6.391 -11.801 -0.420 1.00 0.00 C ATOM 320 CZ TYR A 25 5.477 -12.834 -0.411 1.00 0.00 C ATOM 321 OH TYR A 25 5.893 -14.112 -0.117 1.00 0.00 O ATOM 0 H TYR A 25 5.233 -9.176 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 25 2.708 -9.579 -2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.052 -8.191 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.557 -8.478 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.696 -11.121 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.687 -9.711 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.435 -13.403 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.430 -11.994 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 25 6.857 -14.110 0.057 1.00 0.00 H new ATOM 331 N LEU A 26 3.268 -6.336 -2.929 1.00 0.00 N ATOM 332 CA LEU A 26 2.614 -5.033 -2.980 1.00 0.00 C ATOM 333 C LEU A 26 1.578 -4.988 -4.098 1.00 0.00 C ATOM 334 O LEU A 26 0.383 -4.834 -3.844 1.00 0.00 O ATOM 335 CB LEU A 26 3.651 -3.928 -3.186 1.00 0.00 C ATOM 336 CG LEU A 26 3.097 -2.533 -3.475 1.00 0.00 C ATOM 337 CD1 LEU A 26 2.317 -2.009 -2.279 1.00 0.00 C ATOM 338 CD2 LEU A 26 4.223 -1.576 -3.841 1.00 0.00 C ATOM 0 H LEU A 26 4.270 -6.312 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 26 2.104 -4.872 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.275 -3.872 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.301 -4.217 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 26 2.417 -2.603 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.931 -1.015 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.486 -2.681 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.974 -1.955 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.809 -0.588 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.929 -1.511 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.738 -1.943 -4.729 1.00 0.00 H new ATOM 350 N ILE A 27 2.043 -5.126 -5.335 1.00 0.00 N ATOM 351 CA ILE A 27 1.156 -5.104 -6.492 1.00 0.00 C ATOM 352 C ILE A 27 -0.127 -5.881 -6.215 1.00 0.00 C ATOM 353 O ILE A 27 -1.213 -5.473 -6.626 1.00 0.00 O ATOM 354 CB ILE A 27 1.841 -5.695 -7.738 1.00 0.00 C ATOM 355 CG1 ILE A 27 3.071 -4.865 -8.112 1.00 0.00 C ATOM 356 CG2 ILE A 27 0.863 -5.756 -8.901 1.00 0.00 C ATOM 357 CD1 ILE A 27 3.999 -5.564 -9.081 1.00 0.00 C ATOM 0 H ILE A 27 3.029 -5.254 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 27 0.912 -4.059 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 27 2.166 -6.710 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.744 -3.922 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.623 -4.620 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.362 -6.176 -9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.015 -6.385 -8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.510 -4.751 -9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.849 -4.918 -9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.356 -6.493 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.462 -5.785 -10.004 1.00 0.00 H new ATOM 369 N VAL A 28 0.006 -7.001 -5.512 1.00 0.00 N ATOM 370 CA VAL A 28 -1.143 -7.834 -5.177 1.00 0.00 C ATOM 371 C VAL A 28 -2.026 -7.158 -4.134 1.00 0.00 C ATOM 372 O VAL A 28 -3.254 -7.205 -4.220 1.00 0.00 O ATOM 373 CB VAL A 28 -0.703 -9.211 -4.646 1.00 0.00 C ATOM 374 CG1 VAL A 28 -1.912 -10.035 -4.230 1.00 0.00 C ATOM 375 CG2 VAL A 28 0.120 -9.947 -5.693 1.00 0.00 C ATOM 0 H VAL A 28 0.898 -7.353 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.712 -7.973 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.078 -9.059 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.581 -11.004 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.456 -9.511 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.566 -10.181 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.423 -10.918 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.479 -10.089 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.007 -9.362 -5.936 1.00 0.00 H new ATOM 385 N HIS A 29 -1.393 -6.530 -3.149 1.00 0.00 N ATOM 386 CA HIS A 29 -2.122 -5.842 -2.088 1.00 0.00 C ATOM 387 C HIS A 29 -2.812 -4.593 -2.626 1.00 0.00 C ATOM 388 O HIS A 29 -4.021 -4.424 -2.465 1.00 0.00 O ATOM 389 CB HIS A 29 -1.172 -5.465 -0.950 1.00 0.00 C ATOM 390 CG HIS A 29 -1.776 -4.524 0.046 1.00 0.00 C ATOM 391 ND1 HIS A 29 -2.502 -4.948 1.139 1.00 0.00 N ATOM 392 CD2 HIS A 29 -1.757 -3.172 0.111 1.00 0.00 C ATOM 393 CE1 HIS A 29 -2.904 -3.898 1.832 1.00 0.00 C ATOM 394 NE2 HIS A 29 -2.465 -2.808 1.230 1.00 0.00 N ATOM 0 H HIS A 29 -0.378 -6.483 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.884 -6.520 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.856 -6.372 -0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.276 -5.009 -1.371 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.698 -5.921 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.275 -2.504 -0.587 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.492 -3.926 2.737 1.00 0.00 H new ATOM 402 N GLN A 30 -2.037 -3.721 -3.262 1.00 0.00 N ATOM 403 CA GLN A 30 -2.575 -2.486 -3.821 1.00 0.00 C ATOM 404 C GLN A 30 -3.935 -2.729 -4.466 1.00 0.00 C ATOM 405 O GLN A 30 -4.744 -1.810 -4.596 1.00 0.00 O ATOM 406 CB GLN A 30 -1.606 -1.903 -4.850 1.00 0.00 C ATOM 407 CG GLN A 30 -0.420 -1.181 -4.229 1.00 0.00 C ATOM 408 CD GLN A 30 0.175 -0.136 -5.151 1.00 0.00 C ATOM 409 OE1 GLN A 30 1.501 -0.062 -5.186 1.00 0.00 O flip ATOM 410 NE2 GLN A 30 -0.548 0.598 -5.825 1.00 0.00 N flip ATOM 0 H GLN A 30 -1.035 -3.846 -3.403 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.701 -1.772 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.238 -2.708 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.147 -1.209 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.735 -0.704 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.348 -1.909 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.562 0.507 -5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.133 1.297 -6.441 1.00 0.00 H new ATOM 419 N ARG A 31 -4.181 -3.971 -4.870 1.00 0.00 N ATOM 420 CA ARG A 31 -5.443 -4.334 -5.503 1.00 0.00 C ATOM 421 C ARG A 31 -6.617 -4.067 -4.567 1.00 0.00 C ATOM 422 O ARG A 31 -7.638 -3.514 -4.978 1.00 0.00 O ATOM 423 CB ARG A 31 -5.427 -5.807 -5.913 1.00 0.00 C ATOM 424 CG ARG A 31 -4.377 -6.137 -6.961 1.00 0.00 C ATOM 425 CD ARG A 31 -4.470 -7.588 -7.406 1.00 0.00 C ATOM 426 NE ARG A 31 -3.480 -7.912 -8.430 1.00 0.00 N ATOM 427 CZ ARG A 31 -3.077 -9.149 -8.697 1.00 0.00 C ATOM 428 NH1 ARG A 31 -3.576 -10.174 -8.019 1.00 0.00 N ATOM 429 NH2 ARG A 31 -2.172 -9.363 -9.643 1.00 0.00 N ATOM 0 H ARG A 31 -3.522 -4.743 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.564 -3.718 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.250 -6.419 -5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.410 -6.079 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.504 -5.482 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.384 -5.942 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.328 -8.241 -6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.470 -7.785 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.076 -7.146 -8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.271 -10.013 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.264 -11.123 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.785 -8.577 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.863 -10.313 -9.848 1.00 0.00 H new ATOM 443 N ILE A 32 -6.466 -4.464 -3.308 1.00 0.00 N ATOM 444 CA ILE A 32 -7.513 -4.268 -2.314 1.00 0.00 C ATOM 445 C ILE A 32 -7.916 -2.800 -2.223 1.00 0.00 C ATOM 446 O ILE A 32 -8.934 -2.460 -1.617 1.00 0.00 O ATOM 447 CB ILE A 32 -7.067 -4.754 -0.922 1.00 0.00 C ATOM 448 CG1 ILE A 32 -6.025 -3.800 -0.335 1.00 0.00 C ATOM 449 CG2 ILE A 32 -6.512 -6.167 -1.008 1.00 0.00 C ATOM 450 CD1 ILE A 32 -6.108 -3.666 1.169 1.00 0.00 C ATOM 0 H ILE A 32 -5.628 -4.924 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.370 -4.859 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.934 -4.765 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.029 -4.151 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.150 -2.816 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.201 -6.497 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.282 -6.838 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.654 -6.181 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.340 -2.975 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.091 -3.285 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.953 -4.641 1.630 1.00 0.00 H new ATOM 462 N HIS A 33 -7.112 -1.932 -2.829 1.00 0.00 N ATOM 463 CA HIS A 33 -7.386 -0.500 -2.818 1.00 0.00 C ATOM 464 C HIS A 33 -7.896 -0.034 -4.179 1.00 0.00 C ATOM 465 O HIS A 33 -8.764 0.835 -4.264 1.00 0.00 O ATOM 466 CB HIS A 33 -6.125 0.279 -2.439 1.00 0.00 C ATOM 467 CG HIS A 33 -5.674 0.039 -1.032 1.00 0.00 C ATOM 468 ND1 HIS A 33 -6.489 0.233 0.064 1.00 0.00 N ATOM 469 CD2 HIS A 33 -4.484 -0.383 -0.543 1.00 0.00 C ATOM 470 CE1 HIS A 33 -5.820 -0.058 1.165 1.00 0.00 C ATOM 471 NE2 HIS A 33 -4.600 -0.434 0.824 1.00 0.00 N ATOM 0 H HIS A 33 -6.266 -2.196 -3.334 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.160 -0.309 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.320 0.006 -3.121 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.311 1.344 -2.576 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.457 0.552 0.029 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.607 -0.633 -1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.205 0.001 2.172 1.00 0.00 H new ATOM 479 N THR A 34 -7.350 -0.617 -5.241 1.00 0.00 N ATOM 480 CA THR A 34 -7.749 -0.261 -6.597 1.00 0.00 C ATOM 481 C THR A 34 -9.265 -0.295 -6.752 1.00 0.00 C ATOM 482 O THR A 34 -9.933 -1.182 -6.224 1.00 0.00 O ATOM 483 CB THR A 34 -7.117 -1.208 -7.635 1.00 0.00 C ATOM 484 OG1 THR A 34 -7.302 -2.569 -7.233 1.00 0.00 O ATOM 485 CG2 THR A 34 -5.632 -0.919 -7.798 1.00 0.00 C ATOM 0 H THR A 34 -6.630 -1.338 -5.188 1.00 0.00 H new ATOM 0 HA THR A 34 -7.392 0.753 -6.775 1.00 0.00 H new ATOM 0 HB THR A 34 -7.610 -1.043 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.856 -2.599 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.208 -1.600 -8.536 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.496 0.109 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.127 -1.059 -6.842 1.00 0.00 H new ATOM 493 N GLY A 35 -9.803 0.679 -7.481 1.00 0.00 N ATOM 494 CA GLY A 35 -11.237 0.742 -7.692 1.00 0.00 C ATOM 495 C GLY A 35 -11.611 0.656 -9.158 1.00 0.00 C ATOM 496 O GLY A 35 -11.912 1.669 -9.788 1.00 0.00 O ATOM 0 H GLY A 35 -9.271 1.425 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.717 -0.072 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.622 1.673 -7.276 1.00 0.00 H new ATOM 500 N GLU A 36 -11.591 -0.557 -9.703 1.00 0.00 N ATOM 501 CA GLU A 36 -11.928 -0.769 -11.106 1.00 0.00 C ATOM 502 C GLU A 36 -13.167 -1.650 -11.240 1.00 0.00 C ATOM 503 O GLU A 36 -14.021 -1.415 -12.095 1.00 0.00 O ATOM 504 CB GLU A 36 -10.751 -1.409 -11.845 1.00 0.00 C ATOM 505 CG GLU A 36 -10.513 -2.861 -11.469 1.00 0.00 C ATOM 506 CD GLU A 36 -9.964 -3.018 -10.064 1.00 0.00 C ATOM 507 OE1 GLU A 36 -8.812 -2.600 -9.827 1.00 0.00 O ATOM 508 OE2 GLU A 36 -10.688 -3.558 -9.202 1.00 0.00 O ATOM 0 H GLU A 36 -11.345 -1.407 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.143 0.202 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.929 -1.345 -12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.847 -0.836 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.450 -3.412 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.816 -3.307 -12.179 1.00 0.00 H new ATOM 515 N LYS A 37 -13.257 -2.667 -10.389 1.00 0.00 N ATOM 516 CA LYS A 37 -14.390 -3.584 -10.410 1.00 0.00 C ATOM 517 C LYS A 37 -15.703 -2.824 -10.565 1.00 0.00 C ATOM 518 O LYS A 37 -16.051 -1.989 -9.728 1.00 0.00 O ATOM 519 CB LYS A 37 -14.420 -4.420 -9.129 1.00 0.00 C ATOM 520 CG LYS A 37 -15.516 -5.472 -9.114 1.00 0.00 C ATOM 521 CD LYS A 37 -15.849 -5.910 -7.698 1.00 0.00 C ATOM 522 CE LYS A 37 -14.853 -6.937 -7.182 1.00 0.00 C ATOM 523 NZ LYS A 37 -15.053 -7.226 -5.735 1.00 0.00 N ATOM 0 H LYS A 37 -12.558 -2.877 -9.676 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.272 -4.248 -11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.455 -4.911 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.554 -3.756 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.411 -5.073 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.200 -6.336 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.852 -5.042 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.854 -6.332 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.954 -7.860 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.839 -6.572 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.355 -7.930 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.932 -6.351 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.012 -7.599 -5.585 1.00 0.00 H new ATOM 537 N LEU A 38 -16.429 -3.117 -11.638 1.00 0.00 N ATOM 538 CA LEU A 38 -17.706 -2.462 -11.901 1.00 0.00 C ATOM 539 C LEU A 38 -18.815 -3.490 -12.098 1.00 0.00 C ATOM 540 O LEU A 38 -18.686 -4.410 -12.905 1.00 0.00 O ATOM 541 CB LEU A 38 -17.597 -1.568 -13.137 1.00 0.00 C ATOM 542 CG LEU A 38 -17.698 -2.277 -14.489 1.00 0.00 C ATOM 543 CD1 LEU A 38 -17.759 -1.262 -15.620 1.00 0.00 C ATOM 544 CD2 LEU A 38 -16.524 -3.225 -14.682 1.00 0.00 C ATOM 0 H LEU A 38 -16.155 -3.804 -12.340 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.956 -1.847 -11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.382 -0.813 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.644 -1.040 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.617 -2.862 -14.504 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.831 -1.784 -16.574 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.633 -0.624 -15.489 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.857 -0.650 -15.608 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.612 -3.721 -15.649 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.592 -2.661 -14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.526 -3.973 -13.889 1.00 0.00 H new ATOM 556 N SER A 39 -19.906 -3.325 -11.357 1.00 0.00 N ATOM 557 CA SER A 39 -21.038 -4.240 -11.449 1.00 0.00 C ATOM 558 C SER A 39 -22.359 -3.482 -11.347 1.00 0.00 C ATOM 559 O SER A 39 -22.475 -2.512 -10.600 1.00 0.00 O ATOM 560 CB SER A 39 -20.958 -5.297 -10.346 1.00 0.00 C ATOM 561 OG SER A 39 -19.817 -6.121 -10.512 1.00 0.00 O ATOM 0 H SER A 39 -20.030 -2.566 -10.686 1.00 0.00 H new ATOM 0 HA SER A 39 -20.996 -4.734 -12.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.920 -4.809 -9.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.859 -5.911 -10.360 1.00 0.00 H new ATOM 0 HG SER A 39 -19.787 -6.787 -9.794 1.00 0.00 H new ATOM 567 N GLY A 40 -23.353 -3.933 -12.107 1.00 0.00 N ATOM 568 CA GLY A 40 -24.652 -3.287 -12.089 1.00 0.00 C ATOM 569 C GLY A 40 -25.569 -3.797 -13.182 1.00 0.00 C ATOM 570 O GLY A 40 -26.224 -4.830 -13.041 1.00 0.00 O ATOM 0 H GLY A 40 -23.281 -4.734 -12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -25.122 -3.450 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -24.521 -2.211 -12.202 1.00 0.00 H new ATOM 574 N PRO A 41 -25.624 -3.063 -14.304 1.00 0.00 N ATOM 575 CA PRO A 41 -26.466 -3.428 -15.447 1.00 0.00 C ATOM 576 C PRO A 41 -25.956 -4.671 -16.169 1.00 0.00 C ATOM 577 O PRO A 41 -26.733 -5.556 -16.525 1.00 0.00 O ATOM 578 CB PRO A 41 -26.373 -2.203 -16.361 1.00 0.00 C ATOM 579 CG PRO A 41 -25.073 -1.566 -16.010 1.00 0.00 C ATOM 580 CD PRO A 41 -24.870 -1.821 -14.542 1.00 0.00 C ATOM 0 HA PRO A 41 -27.483 -3.674 -15.142 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.402 -2.490 -17.412 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -27.206 -1.520 -16.194 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -24.259 -1.992 -16.596 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -25.093 -0.497 -16.221 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -23.814 -1.938 -14.297 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.249 -0.999 -13.935 1.00 0.00 H new ATOM 588 N SER A 42 -24.645 -4.730 -16.382 1.00 0.00 N ATOM 589 CA SER A 42 -24.032 -5.863 -17.065 1.00 0.00 C ATOM 590 C SER A 42 -24.063 -7.109 -16.185 1.00 0.00 C ATOM 591 O SER A 42 -24.100 -7.015 -14.958 1.00 0.00 O ATOM 592 CB SER A 42 -22.589 -5.533 -17.450 1.00 0.00 C ATOM 593 OG SER A 42 -21.934 -6.666 -17.993 1.00 0.00 O ATOM 0 H SER A 42 -23.987 -4.007 -16.091 1.00 0.00 H new ATOM 0 HA SER A 42 -24.605 -6.064 -17.970 1.00 0.00 H new ATOM 0 HB2 SER A 42 -22.580 -4.721 -18.177 1.00 0.00 H new ATOM 0 HB3 SER A 42 -22.047 -5.181 -16.572 1.00 0.00 H new ATOM 0 HG SER A 42 -21.014 -6.428 -18.233 1.00 0.00 H new ATOM 599 N SER A 43 -24.047 -8.276 -16.821 1.00 0.00 N ATOM 600 CA SER A 43 -24.077 -9.541 -16.098 1.00 0.00 C ATOM 601 C SER A 43 -22.664 -10.075 -15.878 1.00 0.00 C ATOM 602 O SER A 43 -22.409 -11.269 -16.030 1.00 0.00 O ATOM 603 CB SER A 43 -24.910 -10.571 -16.863 1.00 0.00 C ATOM 604 OG SER A 43 -25.038 -11.774 -16.125 1.00 0.00 O ATOM 0 H SER A 43 -24.013 -8.371 -17.836 1.00 0.00 H new ATOM 0 HA SER A 43 -24.536 -9.364 -15.125 1.00 0.00 H new ATOM 0 HB2 SER A 43 -25.899 -10.162 -17.071 1.00 0.00 H new ATOM 0 HB3 SER A 43 -24.442 -10.779 -17.825 1.00 0.00 H new ATOM 0 HG SER A 43 -24.149 -12.152 -15.959 1.00 0.00 H new ATOM 610 N GLY A 44 -21.749 -9.180 -15.519 1.00 0.00 N ATOM 611 CA GLY A 44 -20.374 -9.579 -15.284 1.00 0.00 C ATOM 612 C GLY A 44 -20.265 -10.748 -14.325 1.00 0.00 C ATOM 613 O GLY A 44 -20.309 -10.536 -13.114 1.00 0.00 O ATOM 0 H GLY A 44 -21.935 -8.186 -15.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -19.910 -9.847 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.816 -8.732 -14.884 1.00 0.00 H new TER 617 GLY A 44 HETATM 618 ZN ZN A 201 -2.298 -0.486 1.178 1.00 0.00 ZN