USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 15 TYR OH : rot 180:sc= 0.00995 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -157:sc= 1.59 (180deg=0.443) USER MOD Set 1.3: A 65 ASN : amide:sc= -1.1! C(o=0.5!,f=-6.3!) USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 SER OG : rot 180:sc= 0.0308 USER MOD Set 3.1: A 21 GLN : amide:sc=-0.00967 K(o=-0.38,f=-1.5) USER MOD Set 3.2: A 23 MET CE :methyl -153:sc= -0.372 (180deg=-1.41!) USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.492 (180deg=0.00138) USER MOD Single : A 1 SER OG : rot 180:sc= 0.199 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0912 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 8 ASN : amide:sc=-0.000394 X(o=-0.00039,f=-0.066) USER MOD Single : A 9 THR OG1 : rot -93:sc= 0.895 USER MOD Single : A 11 SER OG : rot 180:sc= -0.339 USER MOD Single : A 16 LYS NZ :NH3+ 140:sc= 2.28 (180deg=1.21) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 97:sc= 1.32 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -140:sc= -1.23 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 2.19 (180deg=1.24) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 53 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.276 8.036 5.296 1.00 0.00 N ATOM 2 CA SER A 1 14.621 6.879 4.651 1.00 0.00 C ATOM 3 C SER A 1 13.809 7.332 3.442 1.00 0.00 C ATOM 4 O SER A 1 12.886 8.136 3.569 1.00 0.00 O ATOM 5 CB SER A 1 13.716 6.167 5.658 1.00 0.00 C ATOM 6 OG SER A 1 13.935 6.655 6.974 1.00 0.00 O ATOM 0 H1 SER A 1 16.296 8.014 5.094 1.00 0.00 H new ATOM 0 H2 SER A 1 14.868 8.918 4.924 1.00 0.00 H new ATOM 0 H3 SER A 1 15.125 7.992 6.324 1.00 0.00 H new ATOM 0 HA SER A 1 15.389 6.185 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.672 6.314 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.906 5.094 5.628 1.00 0.00 H new ATOM 0 HG SER A 1 13.344 6.186 7.599 1.00 0.00 H new ATOM 14 N ALA A 2 14.171 6.833 2.270 1.00 0.00 N ATOM 15 CA ALA A 2 13.464 7.158 1.044 1.00 0.00 C ATOM 16 C ALA A 2 13.370 5.928 0.156 1.00 0.00 C ATOM 17 O ALA A 2 14.142 5.768 -0.791 1.00 0.00 O ATOM 18 CB ALA A 2 14.156 8.297 0.312 1.00 0.00 C ATOM 0 H ALA A 2 14.958 6.196 2.144 1.00 0.00 H new ATOM 0 HA ALA A 2 12.455 7.483 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.611 8.525 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.178 9.180 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.176 8.003 0.064 1.00 0.00 H new ATOM 24 N THR A 3 12.433 5.054 0.482 1.00 0.00 N ATOM 25 CA THR A 3 12.243 3.816 -0.255 1.00 0.00 C ATOM 26 C THR A 3 11.641 4.079 -1.634 1.00 0.00 C ATOM 27 O THR A 3 10.654 4.808 -1.760 1.00 0.00 O ATOM 28 CB THR A 3 11.330 2.860 0.531 1.00 0.00 C ATOM 29 OG1 THR A 3 11.269 3.279 1.905 1.00 0.00 O ATOM 30 CG2 THR A 3 11.837 1.427 0.447 1.00 0.00 C ATOM 0 H THR A 3 11.786 5.181 1.260 1.00 0.00 H new ATOM 0 HA THR A 3 13.222 3.356 -0.387 1.00 0.00 H new ATOM 0 HB THR A 3 10.333 2.892 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.686 2.672 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.173 0.772 1.011 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.859 1.110 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.842 1.372 0.865 1.00 0.00 H new ATOM 38 N THR A 4 12.247 3.496 -2.658 1.00 0.00 N ATOM 39 CA THR A 4 11.748 3.623 -4.018 1.00 0.00 C ATOM 40 C THR A 4 10.574 2.678 -4.232 1.00 0.00 C ATOM 41 O THR A 4 10.698 1.468 -4.037 1.00 0.00 O ATOM 42 CB THR A 4 12.851 3.307 -5.041 1.00 0.00 C ATOM 43 OG1 THR A 4 14.110 3.141 -4.369 1.00 0.00 O ATOM 44 CG2 THR A 4 12.959 4.420 -6.071 1.00 0.00 C ATOM 0 H THR A 4 13.089 2.928 -2.571 1.00 0.00 H new ATOM 0 HA THR A 4 11.422 4.653 -4.164 1.00 0.00 H new ATOM 0 HB THR A 4 12.592 2.381 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.808 2.938 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.745 4.178 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.009 4.523 -6.596 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.200 5.357 -5.570 1.00 0.00 H new ATOM 52 N ILE A 5 9.434 3.235 -4.616 1.00 0.00 N ATOM 53 CA ILE A 5 8.218 2.450 -4.745 1.00 0.00 C ATOM 54 C ILE A 5 8.020 1.925 -6.161 1.00 0.00 C ATOM 55 O ILE A 5 8.042 2.682 -7.137 1.00 0.00 O ATOM 56 CB ILE A 5 6.968 3.256 -4.344 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.119 3.836 -2.934 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.731 2.376 -4.433 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.083 4.888 -2.601 1.00 0.00 C ATOM 0 H ILE A 5 9.327 4.224 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 5 8.341 1.607 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 5 6.857 4.090 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.050 3.027 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.113 4.271 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.852 2.954 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.613 2.017 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.840 1.526 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.250 5.255 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.166 5.716 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.086 4.452 -2.669 1.00 0.00 H new ATOM 71 N GLY A 6 7.840 0.619 -6.252 1.00 0.00 N ATOM 72 CA GLY A 6 7.426 -0.009 -7.486 1.00 0.00 C ATOM 73 C GLY A 6 6.349 -1.039 -7.211 1.00 0.00 C ATOM 74 O GLY A 6 6.489 -1.821 -6.274 1.00 0.00 O ATOM 0 H GLY A 6 7.977 -0.029 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.051 0.745 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.281 -0.485 -7.966 1.00 0.00 H new ATOM 78 N PRO A 7 5.252 -1.050 -7.993 1.00 0.00 N ATOM 79 CA PRO A 7 4.125 -1.982 -7.798 1.00 0.00 C ATOM 80 C PRO A 7 4.547 -3.450 -7.696 1.00 0.00 C ATOM 81 O PRO A 7 3.814 -4.278 -7.154 1.00 0.00 O ATOM 82 CB PRO A 7 3.275 -1.775 -9.047 1.00 0.00 C ATOM 83 CG PRO A 7 3.572 -0.388 -9.480 1.00 0.00 C ATOM 84 CD PRO A 7 5.005 -0.130 -9.114 1.00 0.00 C ATOM 0 HA PRO A 7 3.613 -1.778 -6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.531 -2.496 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.215 -1.903 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.418 -0.274 -10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.910 0.324 -8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.674 -0.331 -9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.163 0.908 -8.822 1.00 0.00 H new ATOM 92 N ASN A 8 5.733 -3.762 -8.208 1.00 0.00 N ATOM 93 CA ASN A 8 6.232 -5.132 -8.212 1.00 0.00 C ATOM 94 C ASN A 8 6.850 -5.512 -6.866 1.00 0.00 C ATOM 95 O ASN A 8 7.552 -6.518 -6.759 1.00 0.00 O ATOM 96 CB ASN A 8 7.258 -5.323 -9.330 1.00 0.00 C ATOM 97 CG ASN A 8 7.108 -6.664 -10.025 1.00 0.00 C ATOM 98 OD1 ASN A 8 6.057 -6.970 -10.588 1.00 0.00 O ATOM 99 ND2 ASN A 8 8.157 -7.471 -9.988 1.00 0.00 N ATOM 0 H ASN A 8 6.368 -3.082 -8.627 1.00 0.00 H new ATOM 0 HA ASN A 8 5.381 -5.790 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.148 -4.523 -10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.263 -5.241 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.113 -8.386 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.009 -7.178 -9.510 1.00 0.00 H new ATOM 106 N THR A 9 6.607 -4.698 -5.848 1.00 0.00 N ATOM 107 CA THR A 9 7.024 -5.025 -4.493 1.00 0.00 C ATOM 108 C THR A 9 6.126 -6.120 -3.941 1.00 0.00 C ATOM 109 O THR A 9 6.499 -7.293 -3.900 1.00 0.00 O ATOM 110 CB THR A 9 6.945 -3.793 -3.570 1.00 0.00 C ATOM 111 OG1 THR A 9 5.896 -2.925 -4.015 1.00 0.00 O ATOM 112 CG2 THR A 9 8.264 -3.038 -3.547 1.00 0.00 C ATOM 0 H THR A 9 6.122 -3.805 -5.936 1.00 0.00 H new ATOM 0 HA THR A 9 8.060 -5.364 -4.527 1.00 0.00 H new ATOM 0 HB THR A 9 6.734 -4.137 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.265 -2.251 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.177 -2.174 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.053 -3.695 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.509 -2.702 -4.555 1.00 0.00 H new ATOM 120 N CYS A 10 4.933 -5.724 -3.537 1.00 0.00 N ATOM 121 CA CYS A 10 3.917 -6.666 -3.119 1.00 0.00 C ATOM 122 C CYS A 10 3.066 -7.057 -4.322 1.00 0.00 C ATOM 123 O CYS A 10 2.575 -6.194 -5.049 1.00 0.00 O ATOM 124 CB CYS A 10 3.051 -6.053 -2.021 1.00 0.00 C ATOM 125 SG CYS A 10 3.945 -4.886 -0.940 1.00 0.00 S ATOM 0 H CYS A 10 4.644 -4.747 -3.490 1.00 0.00 H new ATOM 0 HA CYS A 10 4.393 -7.560 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.210 -5.535 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.636 -6.854 -1.410 1.00 0.00 H new ATOM 130 N SER A 11 2.940 -8.356 -4.556 1.00 0.00 N ATOM 131 CA SER A 11 2.189 -8.872 -5.692 1.00 0.00 C ATOM 132 C SER A 11 1.885 -10.350 -5.478 1.00 0.00 C ATOM 133 O SER A 11 1.697 -11.104 -6.430 1.00 0.00 O ATOM 134 CB SER A 11 2.964 -8.682 -7.007 1.00 0.00 C ATOM 135 OG SER A 11 4.136 -7.900 -6.827 1.00 0.00 O ATOM 0 H SER A 11 3.353 -9.079 -3.967 1.00 0.00 H new ATOM 0 HA SER A 11 1.256 -8.313 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.237 -9.657 -7.411 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.318 -8.202 -7.742 1.00 0.00 H new ATOM 0 HG SER A 11 4.600 -7.804 -7.685 1.00 0.00 H new ATOM 141 N ILE A 12 1.842 -10.757 -4.214 1.00 0.00 N ATOM 142 CA ILE A 12 1.519 -12.134 -3.869 1.00 0.00 C ATOM 143 C ILE A 12 0.023 -12.319 -3.988 1.00 0.00 C ATOM 144 O ILE A 12 -0.464 -13.073 -4.826 1.00 0.00 O ATOM 145 CB ILE A 12 1.950 -12.492 -2.429 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.920 -11.449 -1.863 1.00 0.00 C ATOM 147 CG2 ILE A 12 2.575 -13.876 -2.398 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.914 -11.376 -0.349 1.00 0.00 C ATOM 0 H ILE A 12 2.027 -10.153 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 12 2.060 -12.789 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 12 1.061 -12.493 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.929 -11.681 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.664 -10.470 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.875 -14.117 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.849 -14.611 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.450 -13.895 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.624 -10.617 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.915 -11.114 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.199 -12.344 0.063 1.00 0.00 H new ATOM 160 N ASP A 13 -0.692 -11.606 -3.142 1.00 0.00 N ATOM 161 CA ASP A 13 -2.130 -11.489 -3.258 1.00 0.00 C ATOM 162 C ASP A 13 -2.442 -10.160 -3.921 1.00 0.00 C ATOM 163 O ASP A 13 -1.616 -9.638 -4.668 1.00 0.00 O ATOM 164 CB ASP A 13 -2.769 -11.552 -1.873 1.00 0.00 C ATOM 165 CG ASP A 13 -4.146 -12.180 -1.889 1.00 0.00 C ATOM 166 OD1 ASP A 13 -5.061 -11.602 -2.507 1.00 0.00 O ATOM 167 OD2 ASP A 13 -4.320 -13.250 -1.277 1.00 0.00 O ATOM 0 H ASP A 13 -0.293 -11.092 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.531 -12.307 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.123 -12.122 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.839 -10.544 -1.464 1.00 0.00 H new ATOM 172 N ASP A 14 -3.596 -9.584 -3.628 1.00 0.00 N ATOM 173 CA ASP A 14 -3.908 -8.238 -4.099 1.00 0.00 C ATOM 174 C ASP A 14 -3.216 -7.198 -3.219 1.00 0.00 C ATOM 175 O ASP A 14 -3.752 -6.118 -2.957 1.00 0.00 O ATOM 176 CB ASP A 14 -5.419 -7.999 -4.103 1.00 0.00 C ATOM 177 CG ASP A 14 -5.859 -7.071 -5.221 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.052 -6.227 -5.659 1.00 0.00 O ATOM 179 OD2 ASP A 14 -7.021 -7.180 -5.663 1.00 0.00 O ATOM 0 H ASP A 14 -4.330 -10.021 -3.070 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.542 -8.141 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.934 -8.954 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.719 -7.575 -3.145 1.00 0.00 H new ATOM 184 N TYR A 15 -2.017 -7.545 -2.760 1.00 0.00 N ATOM 185 CA TYR A 15 -1.228 -6.664 -1.920 1.00 0.00 C ATOM 186 C TYR A 15 -0.459 -5.682 -2.786 1.00 0.00 C ATOM 187 O TYR A 15 0.098 -6.059 -3.813 1.00 0.00 O ATOM 188 CB TYR A 15 -0.253 -7.476 -1.058 1.00 0.00 C ATOM 189 CG TYR A 15 -0.930 -8.389 -0.059 1.00 0.00 C ATOM 190 CD1 TYR A 15 -2.047 -7.970 0.649 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.441 -9.665 0.185 1.00 0.00 C ATOM 192 CE1 TYR A 15 -2.667 -8.798 1.564 1.00 0.00 C ATOM 193 CE2 TYR A 15 -1.055 -10.500 1.100 1.00 0.00 C ATOM 194 CZ TYR A 15 -2.165 -10.060 1.791 1.00 0.00 C ATOM 195 OH TYR A 15 -2.782 -10.890 2.700 1.00 0.00 O ATOM 0 H TYR A 15 -1.571 -8.440 -2.961 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.899 -6.114 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.381 -8.075 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.401 -6.789 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.439 -6.978 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.432 -10.011 -0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.541 -8.457 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.667 -11.493 1.273 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.303 -11.744 2.741 1.00 0.00 H new ATOM 205 N LYS A 16 -0.442 -4.427 -2.376 1.00 0.00 N ATOM 206 CA LYS A 16 0.276 -3.392 -3.104 1.00 0.00 C ATOM 207 C LYS A 16 1.149 -2.600 -2.143 1.00 0.00 C ATOM 208 O LYS A 16 0.934 -2.654 -0.931 1.00 0.00 O ATOM 209 CB LYS A 16 -0.700 -2.448 -3.820 1.00 0.00 C ATOM 210 CG LYS A 16 -2.135 -2.943 -3.855 1.00 0.00 C ATOM 211 CD LYS A 16 -2.575 -3.267 -5.273 1.00 0.00 C ATOM 212 CE LYS A 16 -4.042 -2.953 -5.479 1.00 0.00 C ATOM 213 NZ LYS A 16 -4.914 -3.807 -4.633 1.00 0.00 N ATOM 0 H LYS A 16 -0.920 -4.097 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 16 0.903 -3.871 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.675 -1.476 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.355 -2.295 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.230 -3.831 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.794 -2.184 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.976 -2.695 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.394 -4.322 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.225 -1.904 -5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.300 -3.097 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.698 -3.237 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.297 -4.587 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.359 -4.197 -3.845 1.00 0.00 H new ATOM 227 N PRO A 17 2.155 -1.876 -2.659 1.00 0.00 N ATOM 228 CA PRO A 17 3.000 -1.007 -1.838 1.00 0.00 C ATOM 229 C PRO A 17 2.221 0.185 -1.298 1.00 0.00 C ATOM 230 O PRO A 17 1.899 1.122 -2.033 1.00 0.00 O ATOM 231 CB PRO A 17 4.087 -0.540 -2.807 1.00 0.00 C ATOM 232 CG PRO A 17 3.456 -0.647 -4.149 1.00 0.00 C ATOM 233 CD PRO A 17 2.562 -1.850 -4.076 1.00 0.00 C ATOM 0 HA PRO A 17 3.394 -1.523 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.397 0.483 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.978 -1.164 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.887 0.251 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.209 -0.764 -4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.703 -1.756 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.088 -2.761 -4.362 1.00 0.00 H new ATOM 241 N TYR A 18 1.905 0.138 -0.018 1.00 0.00 N ATOM 242 CA TYR A 18 1.168 1.214 0.616 1.00 0.00 C ATOM 243 C TYR A 18 2.050 1.945 1.617 1.00 0.00 C ATOM 244 O TYR A 18 2.589 1.338 2.544 1.00 0.00 O ATOM 245 CB TYR A 18 -0.081 0.670 1.309 1.00 0.00 C ATOM 246 CG TYR A 18 -1.230 0.397 0.363 1.00 0.00 C ATOM 247 CD1 TYR A 18 -2.013 1.433 -0.131 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.530 -0.898 -0.037 1.00 0.00 C ATOM 249 CE1 TYR A 18 -3.062 1.184 -0.998 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.573 -1.154 -0.904 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.339 -0.111 -1.381 1.00 0.00 C ATOM 252 OH TYR A 18 -4.379 -0.364 -2.246 1.00 0.00 O ATOM 0 H TYR A 18 2.147 -0.634 0.603 1.00 0.00 H new ATOM 0 HA TYR A 18 0.858 1.920 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.176 -0.252 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.406 1.384 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.799 2.449 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.937 -1.720 0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.661 2.001 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.789 -2.168 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.502 0.403 -2.843 1.00 0.00 H new ATOM 262 N CYS A 19 2.203 3.243 1.417 1.00 0.00 N ATOM 263 CA CYS A 19 2.995 4.073 2.309 1.00 0.00 C ATOM 264 C CYS A 19 2.173 4.437 3.535 1.00 0.00 C ATOM 265 O CYS A 19 1.712 5.569 3.683 1.00 0.00 O ATOM 266 CB CYS A 19 3.466 5.338 1.585 1.00 0.00 C ATOM 267 SG CYS A 19 5.224 5.732 1.850 1.00 0.00 S ATOM 0 H CYS A 19 1.784 3.749 0.636 1.00 0.00 H new ATOM 0 HA CYS A 19 3.875 3.514 2.626 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.288 5.220 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.861 6.181 1.918 1.00 0.00 H new ATOM 272 N CYS A 20 1.983 3.456 4.395 1.00 0.00 N ATOM 273 CA CYS A 20 1.184 3.618 5.596 1.00 0.00 C ATOM 274 C CYS A 20 1.897 4.493 6.610 1.00 0.00 C ATOM 275 O CYS A 20 2.883 4.075 7.223 1.00 0.00 O ATOM 276 CB CYS A 20 0.880 2.258 6.215 1.00 0.00 C ATOM 277 SG CYS A 20 -0.895 1.853 6.271 1.00 0.00 S ATOM 0 H CYS A 20 2.378 2.523 4.282 1.00 0.00 H new ATOM 0 HA CYS A 20 0.250 4.104 5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.401 1.487 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.280 2.233 7.228 1.00 0.00 H new ATOM 282 N GLN A 21 1.401 5.706 6.778 1.00 0.00 N ATOM 283 CA GLN A 21 1.954 6.619 7.760 1.00 0.00 C ATOM 284 C GLN A 21 1.648 6.112 9.165 1.00 0.00 C ATOM 285 O GLN A 21 0.555 6.318 9.690 1.00 0.00 O ATOM 286 CB GLN A 21 1.389 8.027 7.560 1.00 0.00 C ATOM 287 CG GLN A 21 2.189 8.864 6.571 1.00 0.00 C ATOM 288 CD GLN A 21 3.372 9.566 7.215 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.713 9.304 8.371 1.00 0.00 O ATOM 290 NE2 GLN A 21 4.017 10.451 6.469 1.00 0.00 N ATOM 0 H GLN A 21 0.616 6.081 6.246 1.00 0.00 H new ATOM 0 HA GLN A 21 3.035 6.667 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.359 7.951 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.363 8.540 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.547 8.223 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.534 9.608 6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.704 10.640 5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.827 10.943 6.847 1.00 0.00 H new ATOM 299 N SER A 22 2.612 5.425 9.756 1.00 0.00 N ATOM 300 CA SER A 22 2.441 4.852 11.079 1.00 0.00 C ATOM 301 C SER A 22 3.275 5.616 12.097 1.00 0.00 C ATOM 302 O SER A 22 4.495 5.734 11.953 1.00 0.00 O ATOM 303 CB SER A 22 2.837 3.372 11.070 1.00 0.00 C ATOM 304 OG SER A 22 3.269 2.963 9.780 1.00 0.00 O ATOM 0 H SER A 22 3.525 5.251 9.337 1.00 0.00 H new ATOM 0 HA SER A 22 1.391 4.931 11.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.634 3.202 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.988 2.764 11.382 1.00 0.00 H new ATOM 0 HG SER A 22 3.517 2.015 9.803 1.00 0.00 H new ATOM 310 N MET A 23 2.613 6.146 13.109 1.00 0.00 N ATOM 311 CA MET A 23 3.283 6.897 14.156 1.00 0.00 C ATOM 312 C MET A 23 2.860 6.364 15.517 1.00 0.00 C ATOM 313 O MET A 23 2.266 5.287 15.601 1.00 0.00 O ATOM 314 CB MET A 23 2.945 8.388 14.041 1.00 0.00 C ATOM 315 CG MET A 23 3.725 9.103 12.951 1.00 0.00 C ATOM 316 SD MET A 23 2.720 10.291 12.034 1.00 0.00 S ATOM 317 CE MET A 23 1.409 9.233 11.420 1.00 0.00 C ATOM 0 H MET A 23 1.603 6.069 13.229 1.00 0.00 H new ATOM 0 HA MET A 23 4.361 6.779 14.045 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.878 8.497 13.845 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.144 8.873 14.997 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.574 9.621 13.398 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.131 8.366 12.258 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.005 9.652 10.499 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.807 8.238 11.222 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.617 9.165 12.166 1.00 0.00 H new ATOM 327 N SER A 24 3.166 7.106 16.573 1.00 0.00 N ATOM 328 CA SER A 24 2.738 6.734 17.914 1.00 0.00 C ATOM 329 C SER A 24 1.211 6.713 17.994 1.00 0.00 C ATOM 330 O SER A 24 0.558 7.754 17.894 1.00 0.00 O ATOM 331 CB SER A 24 3.315 7.709 18.941 1.00 0.00 C ATOM 332 OG SER A 24 4.736 7.696 18.913 1.00 0.00 O ATOM 0 H SER A 24 3.709 7.968 16.527 1.00 0.00 H new ATOM 0 HA SER A 24 3.110 5.734 18.138 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.953 8.716 18.735 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.965 7.442 19.938 1.00 0.00 H new ATOM 0 HG SER A 24 5.082 8.328 19.577 1.00 0.00 H new ATOM 338 N GLY A 25 0.651 5.521 18.146 1.00 0.00 N ATOM 339 CA GLY A 25 -0.786 5.369 18.184 1.00 0.00 C ATOM 340 C GLY A 25 -1.330 4.900 16.852 1.00 0.00 C ATOM 341 O GLY A 25 -1.251 3.715 16.531 1.00 0.00 O ATOM 0 H GLY A 25 1.173 4.650 18.244 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.057 4.654 18.961 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.246 6.320 18.452 1.00 0.00 H new ATOM 345 N SER A 26 -1.855 5.844 16.077 1.00 0.00 N ATOM 346 CA SER A 26 -2.389 5.576 14.741 1.00 0.00 C ATOM 347 C SER A 26 -3.497 4.518 14.761 1.00 0.00 C ATOM 348 O SER A 26 -3.250 3.335 14.519 1.00 0.00 O ATOM 349 CB SER A 26 -1.265 5.148 13.791 1.00 0.00 C ATOM 350 OG SER A 26 -0.057 5.837 14.082 1.00 0.00 O ATOM 0 H SER A 26 -1.923 6.822 16.357 1.00 0.00 H new ATOM 0 HA SER A 26 -2.832 6.504 14.380 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.103 4.073 13.875 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.561 5.346 12.761 1.00 0.00 H new ATOM 0 HG SER A 26 0.510 5.277 14.653 1.00 0.00 H new ATOM 356 N ALA A 27 -4.717 4.949 15.051 1.00 0.00 N ATOM 357 CA ALA A 27 -5.879 4.078 14.934 1.00 0.00 C ATOM 358 C ALA A 27 -6.332 4.042 13.479 1.00 0.00 C ATOM 359 O ALA A 27 -6.981 3.096 13.029 1.00 0.00 O ATOM 360 CB ALA A 27 -7.005 4.548 15.842 1.00 0.00 C ATOM 0 H ALA A 27 -4.928 5.895 15.369 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.606 3.071 15.250 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.861 3.881 15.736 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.665 4.540 16.878 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.298 5.561 15.564 1.00 0.00 H new ATOM 366 N SER A 28 -5.982 5.092 12.756 1.00 0.00 N ATOM 367 CA SER A 28 -6.228 5.161 11.328 1.00 0.00 C ATOM 368 C SER A 28 -4.904 5.135 10.579 1.00 0.00 C ATOM 369 O SER A 28 -4.170 6.123 10.562 1.00 0.00 O ATOM 370 CB SER A 28 -7.001 6.434 10.987 1.00 0.00 C ATOM 371 OG SER A 28 -7.285 7.178 12.160 1.00 0.00 O ATOM 0 H SER A 28 -5.521 5.917 13.141 1.00 0.00 H new ATOM 0 HA SER A 28 -6.826 4.301 11.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.420 7.044 10.295 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.931 6.176 10.480 1.00 0.00 H new ATOM 0 HG SER A 28 -7.779 7.990 11.921 1.00 0.00 H new ATOM 377 N LEU A 29 -4.591 3.998 9.985 1.00 0.00 N ATOM 378 CA LEU A 29 -3.336 3.844 9.267 1.00 0.00 C ATOM 379 C LEU A 29 -3.443 4.475 7.884 1.00 0.00 C ATOM 380 O LEU A 29 -4.173 3.984 7.022 1.00 0.00 O ATOM 381 CB LEU A 29 -2.967 2.363 9.150 1.00 0.00 C ATOM 382 CG LEU A 29 -1.949 1.846 10.176 1.00 0.00 C ATOM 383 CD1 LEU A 29 -0.537 2.246 9.776 1.00 0.00 C ATOM 384 CD2 LEU A 29 -2.268 2.362 11.568 1.00 0.00 C ATOM 0 H LEU A 29 -5.185 3.169 9.984 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.549 4.353 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.879 1.772 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.570 2.185 8.151 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.013 0.758 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.171 1.871 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.301 1.822 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.467 3.333 9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.531 1.981 12.275 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.240 3.452 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.262 2.025 11.862 1.00 0.00 H new ATOM 396 N GLY A 30 -2.725 5.575 7.692 1.00 0.00 N ATOM 397 CA GLY A 30 -2.771 6.290 6.429 1.00 0.00 C ATOM 398 C GLY A 30 -1.983 5.598 5.334 1.00 0.00 C ATOM 399 O GLY A 30 -0.869 6.001 5.010 1.00 0.00 O ATOM 0 H GLY A 30 -2.108 5.987 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.809 6.394 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.379 7.297 6.572 1.00 0.00 H new ATOM 403 N CYS A 31 -2.558 4.542 4.782 1.00 0.00 N ATOM 404 CA CYS A 31 -1.940 3.795 3.700 1.00 0.00 C ATOM 405 C CYS A 31 -2.238 4.442 2.349 1.00 0.00 C ATOM 406 O CYS A 31 -3.278 4.184 1.739 1.00 0.00 O ATOM 407 CB CYS A 31 -2.453 2.351 3.708 1.00 0.00 C ATOM 408 SG CYS A 31 -1.287 1.139 4.416 1.00 0.00 S ATOM 0 H CYS A 31 -3.466 4.179 5.072 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.861 3.800 3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.385 2.313 4.272 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.688 2.056 2.685 1.00 0.00 H new ATOM 413 N VAL A 32 -1.338 5.302 1.896 1.00 0.00 N ATOM 414 CA VAL A 32 -1.446 5.874 0.562 1.00 0.00 C ATOM 415 C VAL A 32 -0.725 4.978 -0.435 1.00 0.00 C ATOM 416 O VAL A 32 0.348 4.454 -0.138 1.00 0.00 O ATOM 417 CB VAL A 32 -0.860 7.301 0.479 1.00 0.00 C ATOM 418 CG1 VAL A 32 -1.978 8.333 0.476 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.111 7.570 1.618 1.00 0.00 C ATOM 0 H VAL A 32 -0.528 5.618 2.430 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.508 5.940 0.324 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.305 7.381 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.549 9.333 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.626 8.165 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.560 8.241 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.505 8.583 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.408 7.465 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.933 6.856 1.572 1.00 0.00 H new ATOM 429 N VAL A 33 -1.317 4.792 -1.605 1.00 0.00 N ATOM 430 CA VAL A 33 -0.745 3.904 -2.611 1.00 0.00 C ATOM 431 C VAL A 33 0.577 4.456 -3.147 1.00 0.00 C ATOM 432 O VAL A 33 0.702 5.649 -3.438 1.00 0.00 O ATOM 433 CB VAL A 33 -1.727 3.660 -3.782 1.00 0.00 C ATOM 434 CG1 VAL A 33 -2.250 4.973 -4.343 1.00 0.00 C ATOM 435 CG2 VAL A 33 -1.070 2.824 -4.875 1.00 0.00 C ATOM 0 H VAL A 33 -2.190 5.241 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.554 2.950 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.579 3.102 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.937 4.770 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.773 5.521 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.415 5.571 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.779 2.665 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.193 3.347 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.768 1.861 -4.464 1.00 0.00 H new ATOM 445 N GLY A 34 1.567 3.586 -3.241 1.00 0.00 N ATOM 446 CA GLY A 34 2.834 3.970 -3.810 1.00 0.00 C ATOM 447 C GLY A 34 2.825 3.873 -5.317 1.00 0.00 C ATOM 448 O GLY A 34 2.675 2.784 -5.876 1.00 0.00 O ATOM 0 H GLY A 34 1.513 2.616 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.071 4.992 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.621 3.331 -3.409 1.00 0.00 H new ATOM 452 N VAL A 35 2.976 5.007 -5.977 1.00 0.00 N ATOM 453 CA VAL A 35 3.000 5.040 -7.426 1.00 0.00 C ATOM 454 C VAL A 35 4.388 4.666 -7.935 1.00 0.00 C ATOM 455 O VAL A 35 5.382 4.840 -7.227 1.00 0.00 O ATOM 456 CB VAL A 35 2.605 6.429 -7.968 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.124 6.335 -9.408 1.00 0.00 C ATOM 458 CG2 VAL A 35 1.534 7.061 -7.094 1.00 0.00 C ATOM 0 H VAL A 35 3.084 5.918 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 35 2.270 4.315 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 35 3.492 7.063 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.852 7.328 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.921 5.930 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.254 5.680 -9.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.269 8.040 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.650 6.423 -7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.913 7.174 -6.078 1.00 0.00 H new ATOM 468 N ILE A 36 4.448 4.147 -9.154 1.00 0.00 N ATOM 469 CA ILE A 36 5.708 3.714 -9.748 1.00 0.00 C ATOM 470 C ILE A 36 6.684 4.878 -9.872 1.00 0.00 C ATOM 471 O ILE A 36 6.411 5.859 -10.563 1.00 0.00 O ATOM 472 CB ILE A 36 5.499 3.090 -11.145 1.00 0.00 C ATOM 473 CG1 ILE A 36 4.101 2.466 -11.258 1.00 0.00 C ATOM 474 CG2 ILE A 36 6.578 2.055 -11.423 1.00 0.00 C ATOM 475 CD1 ILE A 36 3.760 1.985 -12.651 1.00 0.00 C ATOM 0 H ILE A 36 3.634 4.015 -9.755 1.00 0.00 H new ATOM 0 HA ILE A 36 6.121 2.957 -9.081 1.00 0.00 H new ATOM 0 HB ILE A 36 5.575 3.879 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.031 1.627 -10.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.359 3.200 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.421 1.622 -12.411 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.557 2.532 -11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.530 1.268 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.758 1.557 -12.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.797 2.825 -13.345 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.479 1.227 -12.960 1.00 0.00 H new ATOM 487 N GLY A 37 7.807 4.774 -9.176 1.00 0.00 N ATOM 488 CA GLY A 37 8.834 5.793 -9.267 1.00 0.00 C ATOM 489 C GLY A 37 8.722 6.825 -8.163 1.00 0.00 C ATOM 490 O GLY A 37 9.524 7.758 -8.089 1.00 0.00 O ATOM 0 H GLY A 37 8.026 4.000 -8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.815 5.321 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.764 6.290 -10.234 1.00 0.00 H new ATOM 494 N SER A 38 7.723 6.662 -7.305 1.00 0.00 N ATOM 495 CA SER A 38 7.531 7.568 -6.186 1.00 0.00 C ATOM 496 C SER A 38 8.379 7.129 -4.999 1.00 0.00 C ATOM 497 O SER A 38 8.884 6.004 -4.967 1.00 0.00 O ATOM 498 CB SER A 38 6.049 7.616 -5.803 1.00 0.00 C ATOM 499 OG SER A 38 5.249 7.910 -6.936 1.00 0.00 O ATOM 0 H SER A 38 7.035 5.911 -7.365 1.00 0.00 H new ATOM 0 HA SER A 38 7.848 8.569 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.747 6.659 -5.377 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.891 8.372 -5.034 1.00 0.00 H new ATOM 0 HG SER A 38 4.531 8.525 -6.679 1.00 0.00 H new ATOM 505 N GLN A 39 8.550 8.017 -4.036 1.00 0.00 N ATOM 506 CA GLN A 39 9.339 7.715 -2.855 1.00 0.00 C ATOM 507 C GLN A 39 8.434 7.561 -1.646 1.00 0.00 C ATOM 508 O GLN A 39 7.466 8.304 -1.485 1.00 0.00 O ATOM 509 CB GLN A 39 10.364 8.819 -2.601 1.00 0.00 C ATOM 510 CG GLN A 39 11.799 8.327 -2.643 1.00 0.00 C ATOM 511 CD GLN A 39 12.718 9.296 -3.354 1.00 0.00 C ATOM 512 OE1 GLN A 39 13.055 9.103 -4.524 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.127 10.343 -2.656 1.00 0.00 N ATOM 0 H GLN A 39 8.152 8.956 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 39 9.869 6.778 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.234 9.604 -3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.170 9.269 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.157 8.170 -1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.835 7.360 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.822 10.462 -1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.747 11.031 -3.084 1.00 0.00 H new ATOM 522 N CYS A 40 8.734 6.583 -0.811 1.00 0.00 N ATOM 523 CA CYS A 40 7.948 6.350 0.386 1.00 0.00 C ATOM 524 C CYS A 40 8.507 7.136 1.557 1.00 0.00 C ATOM 525 O CYS A 40 9.572 6.816 2.083 1.00 0.00 O ATOM 526 CB CYS A 40 7.903 4.861 0.732 1.00 0.00 C ATOM 527 SG CYS A 40 6.214 4.207 0.950 1.00 0.00 S ATOM 0 H CYS A 40 9.514 5.939 -0.939 1.00 0.00 H new ATOM 0 HA CYS A 40 6.932 6.690 0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.401 4.299 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.469 4.693 1.648 1.00 0.00 H new ATOM 532 N GLY A 41 7.791 8.185 1.940 1.00 0.00 N ATOM 533 CA GLY A 41 8.164 8.949 3.109 1.00 0.00 C ATOM 534 C GLY A 41 7.821 8.222 4.393 1.00 0.00 C ATOM 535 O GLY A 41 8.332 8.558 5.463 1.00 0.00 O ATOM 0 H GLY A 41 6.956 8.519 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.234 9.153 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.655 9.913 3.090 1.00 0.00 H new ATOM 539 N ALA A 42 6.946 7.228 4.291 1.00 0.00 N ATOM 540 CA ALA A 42 6.572 6.419 5.436 1.00 0.00 C ATOM 541 C ALA A 42 7.052 4.987 5.240 1.00 0.00 C ATOM 542 O ALA A 42 7.901 4.721 4.387 1.00 0.00 O ATOM 543 CB ALA A 42 5.065 6.457 5.642 1.00 0.00 C ATOM 0 H ALA A 42 6.483 6.965 3.421 1.00 0.00 H new ATOM 0 HA ALA A 42 7.048 6.827 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.800 5.845 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.747 7.485 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.566 6.068 4.754 1.00 0.00 H new ATOM 549 N SER A 43 6.513 4.074 6.024 1.00 0.00 N ATOM 550 CA SER A 43 6.872 2.673 5.914 1.00 0.00 C ATOM 551 C SER A 43 6.023 1.985 4.848 1.00 0.00 C ATOM 552 O SER A 43 4.793 2.080 4.863 1.00 0.00 O ATOM 553 CB SER A 43 6.689 1.992 7.270 1.00 0.00 C ATOM 554 OG SER A 43 6.606 2.955 8.311 1.00 0.00 O ATOM 0 H SER A 43 5.823 4.278 6.747 1.00 0.00 H new ATOM 0 HA SER A 43 7.917 2.594 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.784 1.384 7.258 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.524 1.317 7.459 1.00 0.00 H new ATOM 0 HG SER A 43 6.487 2.499 9.170 1.00 0.00 H new ATOM 560 N VAL A 44 6.679 1.295 3.924 1.00 0.00 N ATOM 561 CA VAL A 44 5.972 0.595 2.862 1.00 0.00 C ATOM 562 C VAL A 44 5.400 -0.709 3.389 1.00 0.00 C ATOM 563 O VAL A 44 6.140 -1.587 3.841 1.00 0.00 O ATOM 564 CB VAL A 44 6.874 0.284 1.650 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.058 0.302 0.366 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.037 1.263 1.563 1.00 0.00 C ATOM 0 H VAL A 44 7.694 1.206 3.889 1.00 0.00 H new ATOM 0 HA VAL A 44 5.176 1.260 2.528 1.00 0.00 H new ATOM 0 HB VAL A 44 7.291 -0.714 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.707 0.081 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.270 -0.449 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.611 1.287 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.655 1.018 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.652 2.277 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.638 1.195 2.470 1.00 0.00 H new ATOM 576 N LYS A 45 4.085 -0.818 3.359 1.00 0.00 N ATOM 577 CA LYS A 45 3.405 -2.004 3.842 1.00 0.00 C ATOM 578 C LYS A 45 2.773 -2.763 2.685 1.00 0.00 C ATOM 579 O LYS A 45 2.306 -2.159 1.717 1.00 0.00 O ATOM 580 CB LYS A 45 2.333 -1.625 4.866 1.00 0.00 C ATOM 581 CG LYS A 45 2.893 -0.970 6.118 1.00 0.00 C ATOM 582 CD LYS A 45 3.578 -1.986 7.012 1.00 0.00 C ATOM 583 CE LYS A 45 4.994 -1.557 7.359 1.00 0.00 C ATOM 584 NZ LYS A 45 6.011 -2.366 6.640 1.00 0.00 N ATOM 0 H LYS A 45 3.463 -0.093 3.002 1.00 0.00 H new ATOM 0 HA LYS A 45 4.140 -2.648 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.620 -0.946 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.781 -2.521 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.603 -0.192 5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.087 -0.483 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.001 -2.114 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.602 -2.954 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.125 -0.504 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.149 -1.652 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.936 -2.252 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.735 -3.369 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.075 -2.045 5.653 1.00 0.00 H new ATOM 598 N CYS A 46 2.763 -4.078 2.795 1.00 0.00 N ATOM 599 CA CYS A 46 2.171 -4.930 1.781 1.00 0.00 C ATOM 600 C CYS A 46 0.736 -5.253 2.162 1.00 0.00 C ATOM 601 O CYS A 46 0.439 -6.335 2.678 1.00 0.00 O ATOM 602 CB CYS A 46 2.982 -6.218 1.622 1.00 0.00 C ATOM 603 SG CYS A 46 4.512 -6.020 0.648 1.00 0.00 S ATOM 0 H CYS A 46 3.163 -4.584 3.585 1.00 0.00 H new ATOM 0 HA CYS A 46 2.178 -4.403 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.240 -6.596 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.356 -6.972 1.146 1.00 0.00 H new ATOM 608 N CYS A 47 -0.147 -4.303 1.916 1.00 0.00 N ATOM 609 CA CYS A 47 -1.540 -4.444 2.293 1.00 0.00 C ATOM 610 C CYS A 47 -2.411 -4.630 1.062 1.00 0.00 C ATOM 611 O CYS A 47 -2.007 -4.287 -0.051 1.00 0.00 O ATOM 612 CB CYS A 47 -1.997 -3.219 3.083 1.00 0.00 C ATOM 613 SG CYS A 47 -2.336 -3.559 4.841 1.00 0.00 S ATOM 0 H CYS A 47 0.078 -3.422 1.455 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.640 -5.328 2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.230 -2.447 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.898 -2.816 2.621 1.00 0.00 H new ATOM 618 N LYS A 48 -3.596 -5.187 1.262 1.00 0.00 N ATOM 619 CA LYS A 48 -4.527 -5.408 0.165 1.00 0.00 C ATOM 620 C LYS A 48 -5.387 -4.170 -0.051 1.00 0.00 C ATOM 621 O LYS A 48 -5.068 -3.094 0.450 1.00 0.00 O ATOM 622 CB LYS A 48 -5.410 -6.627 0.449 1.00 0.00 C ATOM 623 CG LYS A 48 -6.232 -6.507 1.723 1.00 0.00 C ATOM 624 CD LYS A 48 -7.114 -7.727 1.928 1.00 0.00 C ATOM 625 CE LYS A 48 -8.519 -7.338 2.358 1.00 0.00 C ATOM 626 NZ LYS A 48 -8.737 -7.535 3.818 1.00 0.00 N ATOM 0 H LYS A 48 -3.936 -5.494 2.173 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.956 -5.600 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.084 -6.780 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.779 -7.513 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.566 -6.389 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.852 -5.611 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.162 -8.301 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.669 -8.376 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.699 -6.293 2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.245 -7.931 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.754 -7.641 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.236 -8.391 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.373 -6.711 4.338 1.00 0.00 H new ATOM 640 N ASP A 49 -6.473 -4.326 -0.796 1.00 0.00 N ATOM 641 CA ASP A 49 -7.389 -3.224 -1.050 1.00 0.00 C ATOM 642 C ASP A 49 -8.108 -2.832 0.232 1.00 0.00 C ATOM 643 O ASP A 49 -7.954 -1.716 0.723 1.00 0.00 O ATOM 644 CB ASP A 49 -8.411 -3.616 -2.119 1.00 0.00 C ATOM 645 CG ASP A 49 -7.994 -3.206 -3.516 1.00 0.00 C ATOM 646 OD1 ASP A 49 -7.008 -2.460 -3.661 1.00 0.00 O ATOM 647 OD2 ASP A 49 -8.649 -3.643 -4.486 1.00 0.00 O ATOM 0 H ASP A 49 -6.741 -5.207 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.812 -2.372 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.560 -4.695 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.370 -3.156 -1.883 1.00 0.00 H new ATOM 652 N ASP A 50 -8.888 -3.775 0.763 1.00 0.00 N ATOM 653 CA ASP A 50 -9.630 -3.579 2.013 1.00 0.00 C ATOM 654 C ASP A 50 -10.542 -2.365 1.913 1.00 0.00 C ATOM 655 O ASP A 50 -10.614 -1.542 2.828 1.00 0.00 O ATOM 656 CB ASP A 50 -8.672 -3.425 3.200 1.00 0.00 C ATOM 657 CG ASP A 50 -8.930 -4.445 4.290 1.00 0.00 C ATOM 658 OD1 ASP A 50 -10.107 -4.683 4.624 1.00 0.00 O ATOM 659 OD2 ASP A 50 -7.956 -5.041 4.799 1.00 0.00 O ATOM 0 H ASP A 50 -9.024 -4.694 0.342 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.245 -4.464 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.645 -3.525 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.771 -2.422 3.615 1.00 0.00 H new ATOM 664 N VAL A 51 -11.244 -2.261 0.796 1.00 0.00 N ATOM 665 CA VAL A 51 -12.086 -1.106 0.537 1.00 0.00 C ATOM 666 C VAL A 51 -13.455 -1.263 1.187 1.00 0.00 C ATOM 667 O VAL A 51 -14.268 -2.086 0.761 1.00 0.00 O ATOM 668 CB VAL A 51 -12.279 -0.852 -0.977 1.00 0.00 C ATOM 669 CG1 VAL A 51 -12.461 0.633 -1.253 1.00 0.00 C ATOM 670 CG2 VAL A 51 -11.113 -1.403 -1.783 1.00 0.00 C ATOM 0 H VAL A 51 -11.247 -2.962 0.055 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.569 -0.251 0.972 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.181 -1.378 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.595 0.790 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.339 0.997 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.579 1.177 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.279 -1.209 -2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.190 -0.918 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.033 -2.478 -1.620 1.00 0.00 H new ATOM 680 N THR A 52 -13.693 -0.490 2.235 1.00 0.00 N ATOM 681 CA THR A 52 -15.008 -0.402 2.839 1.00 0.00 C ATOM 682 C THR A 52 -15.853 0.576 2.039 1.00 0.00 C ATOM 683 O THR A 52 -16.889 0.218 1.473 1.00 0.00 O ATOM 684 CB THR A 52 -14.902 0.088 4.290 1.00 0.00 C ATOM 685 OG1 THR A 52 -13.705 0.861 4.437 1.00 0.00 O ATOM 686 CG2 THR A 52 -14.881 -1.085 5.257 1.00 0.00 C ATOM 0 H THR A 52 -12.985 0.089 2.686 1.00 0.00 H new ATOM 0 HA THR A 52 -15.468 -1.390 2.837 1.00 0.00 H new ATOM 0 HB THR A 52 -15.772 0.703 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.632 1.179 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.805 -0.713 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.799 -1.663 5.148 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.024 -1.721 5.038 1.00 0.00 H new ATOM 694 N ASN A 53 -15.379 1.813 1.985 1.00 0.00 N ATOM 695 CA ASN A 53 -15.980 2.840 1.153 1.00 0.00 C ATOM 696 C ASN A 53 -14.925 3.378 0.200 1.00 0.00 C ATOM 697 O ASN A 53 -13.734 3.133 0.394 1.00 0.00 O ATOM 698 CB ASN A 53 -16.546 3.979 2.008 1.00 0.00 C ATOM 699 CG ASN A 53 -17.591 4.797 1.266 1.00 0.00 C ATOM 700 OD1 ASN A 53 -18.618 4.270 0.833 1.00 0.00 O ATOM 701 ND2 ASN A 53 -17.338 6.087 1.101 1.00 0.00 N ATOM 0 H ASN A 53 -14.568 2.130 2.517 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.805 2.404 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.989 3.564 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.732 4.633 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.004 6.678 0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.478 6.490 1.473 1.00 0.00 H new ATOM 708 N THR A 54 -15.355 4.094 -0.826 1.00 0.00 N ATOM 709 CA THR A 54 -14.442 4.639 -1.814 1.00 0.00 C ATOM 710 C THR A 54 -13.558 5.734 -1.219 1.00 0.00 C ATOM 711 O THR A 54 -13.943 6.903 -1.167 1.00 0.00 O ATOM 712 CB THR A 54 -15.224 5.202 -3.006 1.00 0.00 C ATOM 713 OG1 THR A 54 -16.633 5.013 -2.784 1.00 0.00 O ATOM 714 CG2 THR A 54 -14.811 4.512 -4.296 1.00 0.00 C ATOM 0 H THR A 54 -16.337 4.312 -0.996 1.00 0.00 H new ATOM 0 HA THR A 54 -13.798 3.826 -2.150 1.00 0.00 H new ATOM 0 HB THR A 54 -15.004 6.265 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.135 5.374 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.379 4.927 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.746 4.670 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.011 3.443 -4.217 1.00 0.00 H new ATOM 722 N GLY A 55 -12.383 5.337 -0.757 1.00 0.00 N ATOM 723 CA GLY A 55 -11.441 6.275 -0.181 1.00 0.00 C ATOM 724 C GLY A 55 -10.012 5.816 -0.376 1.00 0.00 C ATOM 725 O GLY A 55 -9.314 5.502 0.586 1.00 0.00 O ATOM 0 H GLY A 55 -12.061 4.369 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.575 7.255 -0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.645 6.390 0.883 1.00 0.00 H new ATOM 729 N ASN A 56 -9.577 5.781 -1.630 1.00 0.00 N ATOM 730 CA ASN A 56 -8.256 5.265 -1.973 1.00 0.00 C ATOM 731 C ASN A 56 -7.174 6.298 -1.683 1.00 0.00 C ATOM 732 O ASN A 56 -5.994 5.960 -1.561 1.00 0.00 O ATOM 733 CB ASN A 56 -8.206 4.845 -3.446 1.00 0.00 C ATOM 734 CG ASN A 56 -8.721 3.435 -3.666 1.00 0.00 C ATOM 735 OD1 ASN A 56 -9.887 3.142 -3.403 1.00 0.00 O ATOM 736 ND2 ASN A 56 -7.859 2.553 -4.151 1.00 0.00 N ATOM 0 H ASN A 56 -10.122 6.105 -2.429 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.068 4.388 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.799 5.541 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.179 4.914 -3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.154 1.591 -4.319 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.901 2.836 -4.356 1.00 0.00 H new ATOM 743 N SER A 57 -7.579 7.559 -1.569 1.00 0.00 N ATOM 744 CA SER A 57 -6.656 8.636 -1.232 1.00 0.00 C ATOM 745 C SER A 57 -6.386 8.648 0.272 1.00 0.00 C ATOM 746 O SER A 57 -6.680 9.620 0.969 1.00 0.00 O ATOM 747 CB SER A 57 -7.235 9.979 -1.683 1.00 0.00 C ATOM 748 OG SER A 57 -7.956 9.834 -2.896 1.00 0.00 O ATOM 0 H SER A 57 -8.544 7.860 -1.706 1.00 0.00 H new ATOM 0 HA SER A 57 -5.712 8.470 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.892 10.375 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.429 10.701 -1.817 1.00 0.00 H new ATOM 0 HG SER A 57 -8.319 10.703 -3.166 1.00 0.00 H new ATOM 754 N GLY A 58 -5.819 7.557 0.758 1.00 0.00 N ATOM 755 CA GLY A 58 -5.597 7.396 2.176 1.00 0.00 C ATOM 756 C GLY A 58 -6.448 6.275 2.730 1.00 0.00 C ATOM 757 O GLY A 58 -7.343 6.506 3.545 1.00 0.00 O ATOM 0 H GLY A 58 -5.506 6.772 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.544 7.185 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.832 8.326 2.693 1.00 0.00 H new ATOM 761 N LEU A 59 -6.174 5.062 2.272 1.00 0.00 N ATOM 762 CA LEU A 59 -6.965 3.902 2.652 1.00 0.00 C ATOM 763 C LEU A 59 -6.621 3.461 4.069 1.00 0.00 C ATOM 764 O LEU A 59 -5.448 3.343 4.425 1.00 0.00 O ATOM 765 CB LEU A 59 -6.728 2.751 1.670 1.00 0.00 C ATOM 766 CG LEU A 59 -7.899 2.436 0.740 1.00 0.00 C ATOM 767 CD1 LEU A 59 -7.417 1.650 -0.469 1.00 0.00 C ATOM 768 CD2 LEU A 59 -8.981 1.667 1.488 1.00 0.00 C ATOM 0 H LEU A 59 -5.406 4.856 1.634 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.019 4.180 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.855 2.988 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.485 1.854 2.239 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.328 3.375 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.262 1.433 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.678 2.238 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.964 0.715 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.808 1.451 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.567 0.732 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.343 2.267 2.323 1.00 0.00 H new ATOM 780 N ILE A 60 -7.646 3.230 4.877 1.00 0.00 N ATOM 781 CA ILE A 60 -7.450 2.808 6.254 1.00 0.00 C ATOM 782 C ILE A 60 -7.225 1.302 6.324 1.00 0.00 C ATOM 783 O ILE A 60 -8.140 0.534 6.626 1.00 0.00 O ATOM 784 CB ILE A 60 -8.649 3.187 7.149 1.00 0.00 C ATOM 785 CG1 ILE A 60 -9.187 4.569 6.773 1.00 0.00 C ATOM 786 CG2 ILE A 60 -8.235 3.163 8.612 1.00 0.00 C ATOM 787 CD1 ILE A 60 -10.690 4.610 6.615 1.00 0.00 C ATOM 0 H ILE A 60 -8.623 3.328 4.601 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.568 3.330 6.625 1.00 0.00 H new ATOM 0 HB ILE A 60 -9.443 2.456 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.891 5.286 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.723 4.889 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.087 3.432 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.893 2.163 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.428 3.877 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -11.000 5.620 6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.992 3.918 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.163 4.321 7.554 1.00 0.00 H new ATOM 799 N ILE A 61 -6.009 0.890 6.011 1.00 0.00 N ATOM 800 CA ILE A 61 -5.634 -0.514 6.084 1.00 0.00 C ATOM 801 C ILE A 61 -4.624 -0.721 7.208 1.00 0.00 C ATOM 802 O ILE A 61 -4.605 0.050 8.164 1.00 0.00 O ATOM 803 CB ILE A 61 -5.042 -1.032 4.750 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.355 -0.072 3.597 1.00 0.00 C ATOM 805 CG2 ILE A 61 -5.581 -2.423 4.440 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.555 -0.348 2.345 1.00 0.00 C ATOM 0 H ILE A 61 -5.260 1.510 5.702 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.541 -1.084 6.285 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.959 -1.087 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.417 -0.136 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.162 0.950 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.157 -2.776 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.305 -3.107 5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.667 -2.382 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.829 0.370 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.491 -0.256 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.766 -1.358 1.993 1.00 0.00 H new ATOM 818 N ASN A 62 -3.794 -1.762 7.087 1.00 0.00 N ATOM 819 CA ASN A 62 -2.774 -2.088 8.089 1.00 0.00 C ATOM 820 C ASN A 62 -3.361 -2.191 9.493 1.00 0.00 C ATOM 821 O ASN A 62 -2.668 -1.992 10.491 1.00 0.00 O ATOM 822 CB ASN A 62 -1.654 -1.050 8.064 1.00 0.00 C ATOM 823 CG ASN A 62 -0.348 -1.589 8.615 1.00 0.00 C ATOM 824 OD1 ASN A 62 -0.258 -2.740 9.046 1.00 0.00 O ATOM 825 ND2 ASN A 62 0.673 -0.755 8.612 1.00 0.00 N ATOM 0 H ASN A 62 -3.810 -2.402 6.293 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.367 -3.066 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.500 -0.712 7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.958 -0.179 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.578 -1.055 8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.558 0.190 8.246 1.00 0.00 H new ATOM 832 N ALA A 63 -4.639 -2.504 9.572 1.00 0.00 N ATOM 833 CA ALA A 63 -5.288 -2.660 10.856 1.00 0.00 C ATOM 834 C ALA A 63 -5.608 -4.121 11.110 1.00 0.00 C ATOM 835 O ALA A 63 -6.051 -4.496 12.196 1.00 0.00 O ATOM 836 CB ALA A 63 -6.549 -1.810 10.917 1.00 0.00 C ATOM 0 H ALA A 63 -5.245 -2.654 8.766 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.609 -2.319 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.027 -1.937 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.288 -0.761 10.776 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.236 -2.122 10.131 1.00 0.00 H new ATOM 842 N ALA A 64 -5.363 -4.947 10.101 1.00 0.00 N ATOM 843 CA ALA A 64 -5.647 -6.369 10.188 1.00 0.00 C ATOM 844 C ALA A 64 -4.939 -7.146 9.082 1.00 0.00 C ATOM 845 O ALA A 64 -4.159 -8.055 9.353 1.00 0.00 O ATOM 846 CB ALA A 64 -7.147 -6.616 10.116 1.00 0.00 C ATOM 0 H ALA A 64 -4.966 -4.652 9.209 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.271 -6.723 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.343 -7.686 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.640 -6.105 10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.534 -6.234 9.171 1.00 0.00 H new ATOM 852 N ASN A 65 -5.194 -6.765 7.834 1.00 0.00 N ATOM 853 CA ASN A 65 -4.735 -7.552 6.692 1.00 0.00 C ATOM 854 C ASN A 65 -3.428 -7.027 6.093 1.00 0.00 C ATOM 855 O ASN A 65 -3.290 -6.942 4.869 1.00 0.00 O ATOM 856 CB ASN A 65 -5.817 -7.589 5.610 1.00 0.00 C ATOM 857 CG ASN A 65 -5.873 -8.916 4.872 1.00 0.00 C ATOM 858 OD1 ASN A 65 -6.938 -9.513 4.735 1.00 0.00 O ATOM 859 ND2 ASN A 65 -4.737 -9.373 4.371 1.00 0.00 N ATOM 0 H ASN A 65 -5.712 -5.922 7.587 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.539 -8.558 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.787 -7.392 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.634 -6.788 4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.726 -10.250 3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.873 -8.849 4.506 1.00 0.00 H new ATOM 866 N CYS A 66 -2.472 -6.688 6.938 1.00 0.00 N ATOM 867 CA CYS A 66 -1.142 -6.337 6.458 1.00 0.00 C ATOM 868 C CYS A 66 -0.147 -7.409 6.873 1.00 0.00 C ATOM 869 O CYS A 66 0.017 -7.689 8.062 1.00 0.00 O ATOM 870 CB CYS A 66 -0.705 -4.970 6.979 1.00 0.00 C ATOM 871 SG CYS A 66 -0.491 -3.717 5.673 1.00 0.00 S ATOM 0 H CYS A 66 -2.586 -6.647 7.951 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.174 -6.279 5.370 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.444 -4.612 7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.235 -5.081 7.520 1.00 0.00 H new ATOM 876 N VAL A 67 0.499 -8.018 5.887 1.00 0.00 N ATOM 877 CA VAL A 67 1.406 -9.132 6.146 1.00 0.00 C ATOM 878 C VAL A 67 2.835 -8.657 6.372 1.00 0.00 C ATOM 879 O VAL A 67 3.616 -9.317 7.058 1.00 0.00 O ATOM 880 CB VAL A 67 1.396 -10.154 4.992 1.00 0.00 C ATOM 881 CG1 VAL A 67 0.219 -11.107 5.139 1.00 0.00 C ATOM 882 CG2 VAL A 67 1.358 -9.455 3.641 1.00 0.00 C ATOM 0 H VAL A 67 0.413 -7.762 4.903 1.00 0.00 H new ATOM 0 HA VAL A 67 1.043 -9.613 7.054 1.00 0.00 H new ATOM 0 HB VAL A 67 2.319 -10.732 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.225 -11.823 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.299 -11.641 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.712 -10.541 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.352 -10.200 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.458 -8.844 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.237 -8.819 3.535 1.00 0.00 H new ATOM 892 N ALA A 68 3.173 -7.512 5.801 1.00 0.00 N ATOM 893 CA ALA A 68 4.519 -6.975 5.901 1.00 0.00 C ATOM 894 C ALA A 68 4.510 -5.486 5.595 1.00 0.00 C ATOM 895 O ALA A 68 5.556 -4.826 5.764 1.00 0.00 O ATOM 896 CB ALA A 68 5.454 -7.705 4.946 1.00 0.00 C ATOM 897 OXT ALA A 68 3.449 -4.991 5.177 1.00 0.00 O ATOM 0 H ALA A 68 2.529 -6.934 5.261 1.00 0.00 H new ATOM 0 HA ALA A 68 4.880 -7.123 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.459 -7.291 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.476 -8.765 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.098 -7.582 3.923 1.00 0.00 H new TER 903 ALA A 68