USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 415 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 21 SER OG : rot 96:sc= 1.13 USER MOD Set 1.2: A 57 SER OG : rot 71:sc= 2.27 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -170:sc= 2.29 (180deg=0.785) USER MOD Set 2.2: A 17 TYR OH : rot 30:sc= 1.04 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.075 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 156:sc= 1.09 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 84:sc= 1.38 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.121 F(o=-2.2!,f=-0.12) USER MOD Single : A 42 SER OG : rot -4:sc= 0.737 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00281 USER MOD Single : A 53 GLN : amide:sc= -0.269 K(o=-0.27,f=-2!) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.56) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00722 USER MOD Single : A 70 ASN : amide:sc= -0.0297 K(o=-0.03,f=-3.6!) USER MOD Single : A 71 SER OG : rot 91:sc= 0.0784 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 79 ASN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.379 7.004 5.527 1.00 0.00 N ATOM 2 CA ALA A 1 -8.324 6.025 5.868 1.00 0.00 C ATOM 3 C ALA A 1 -8.805 4.609 5.583 1.00 0.00 C ATOM 4 O ALA A 1 -10.008 4.343 5.577 1.00 0.00 O ATOM 5 CB ALA A 1 -7.920 6.163 7.328 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.403 7.754 6.247 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.176 7.423 4.597 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.301 6.524 5.496 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.451 6.228 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.143 5.435 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.540 7.169 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.787 5.984 7.964 1.00 0.00 H new ATOM 13 N THR A 2 -7.870 3.711 5.330 1.00 0.00 N ATOM 14 CA THR A 2 -8.202 2.327 5.050 1.00 0.00 C ATOM 15 C THR A 2 -7.839 1.433 6.234 1.00 0.00 C ATOM 16 O THR A 2 -6.669 1.132 6.460 1.00 0.00 O ATOM 17 CB THR A 2 -7.469 1.831 3.789 1.00 0.00 C ATOM 18 OG1 THR A 2 -6.561 2.843 3.322 1.00 0.00 O ATOM 19 CG2 THR A 2 -8.460 1.486 2.690 1.00 0.00 C ATOM 0 H THR A 2 -6.871 3.917 5.313 1.00 0.00 H new ATOM 0 HA THR A 2 -9.277 2.274 4.879 1.00 0.00 H new ATOM 0 HB THR A 2 -6.910 0.932 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.849 2.425 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 2 -7.920 1.138 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.131 0.700 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.041 2.372 2.433 1.00 0.00 H new ATOM 27 N THR A 3 -8.842 1.028 7.002 1.00 0.00 N ATOM 28 CA THR A 3 -8.616 0.161 8.147 1.00 0.00 C ATOM 29 C THR A 3 -8.443 -1.286 7.704 1.00 0.00 C ATOM 30 O THR A 3 -9.169 -1.767 6.833 1.00 0.00 O ATOM 31 CB THR A 3 -9.789 0.239 9.143 1.00 0.00 C ATOM 32 OG1 THR A 3 -10.482 1.486 8.983 1.00 0.00 O ATOM 33 CG2 THR A 3 -9.299 0.097 10.581 1.00 0.00 C ATOM 0 H THR A 3 -9.817 1.286 6.852 1.00 0.00 H new ATOM 0 HA THR A 3 -7.705 0.505 8.637 1.00 0.00 H new ATOM 0 HB THR A 3 -10.471 -0.585 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.228 1.530 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.148 0.156 11.262 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.802 -0.865 10.703 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.596 0.899 10.807 1.00 0.00 H new ATOM 41 N ILE A 4 -7.477 -1.970 8.296 1.00 0.00 N ATOM 42 CA ILE A 4 -7.253 -3.376 8.006 1.00 0.00 C ATOM 43 C ILE A 4 -7.658 -4.219 9.207 1.00 0.00 C ATOM 44 O ILE A 4 -7.371 -3.859 10.348 1.00 0.00 O ATOM 45 CB ILE A 4 -5.777 -3.666 7.645 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.208 -2.546 6.765 1.00 0.00 C ATOM 47 CG2 ILE A 4 -5.666 -5.009 6.938 1.00 0.00 C ATOM 48 CD1 ILE A 4 -3.719 -2.669 6.497 1.00 0.00 C ATOM 0 H ILE A 4 -6.835 -1.573 8.982 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.864 -3.635 7.141 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.194 -3.706 8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.739 -2.540 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.403 -1.587 7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.623 -5.204 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.035 -5.797 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.260 -4.989 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.393 -1.841 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.176 -2.643 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.518 -3.612 5.988 1.00 0.00 H new ATOM 60 N GLY A 5 -8.340 -5.323 8.955 1.00 0.00 N ATOM 61 CA GLY A 5 -8.790 -6.172 10.033 1.00 0.00 C ATOM 62 C GLY A 5 -8.915 -7.616 9.607 1.00 0.00 C ATOM 63 O GLY A 5 -8.469 -7.988 8.523 1.00 0.00 O ATOM 0 H GLY A 5 -8.590 -5.646 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.091 -6.100 10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.755 -5.817 10.395 1.00 0.00 H new ATOM 67 N PRO A 6 -9.518 -8.462 10.446 1.00 0.00 N ATOM 68 CA PRO A 6 -9.688 -9.879 10.140 1.00 0.00 C ATOM 69 C PRO A 6 -10.822 -10.135 9.146 1.00 0.00 C ATOM 70 O PRO A 6 -10.894 -11.196 8.529 1.00 0.00 O ATOM 71 CB PRO A 6 -10.019 -10.492 11.501 1.00 0.00 C ATOM 72 CG PRO A 6 -10.669 -9.393 12.268 1.00 0.00 C ATOM 73 CD PRO A 6 -10.067 -8.106 11.770 1.00 0.00 C ATOM 0 HA PRO A 6 -8.802 -10.303 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.685 -11.349 11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.119 -10.847 12.004 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.748 -9.400 12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.497 -9.513 13.338 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.816 -7.318 11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.289 -7.743 12.441 1.00 0.00 H new ATOM 81 N ASN A 7 -11.693 -9.149 8.975 1.00 0.00 N ATOM 82 CA ASN A 7 -12.866 -9.316 8.125 1.00 0.00 C ATOM 83 C ASN A 7 -12.684 -8.622 6.780 1.00 0.00 C ATOM 84 O ASN A 7 -13.646 -8.432 6.032 1.00 0.00 O ATOM 85 CB ASN A 7 -14.110 -8.778 8.830 1.00 0.00 C ATOM 86 CG ASN A 7 -15.031 -9.886 9.307 1.00 0.00 C ATOM 87 OD1 ASN A 7 -16.052 -10.175 8.682 1.00 0.00 O ATOM 88 ND2 ASN A 7 -14.679 -10.516 10.418 1.00 0.00 N ATOM 0 H ASN A 7 -11.611 -8.230 9.410 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.993 -10.382 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.807 -8.170 9.682 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.655 -8.124 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.262 -11.269 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.825 -10.248 10.908 1.00 0.00 H new ATOM 95 N THR A 8 -11.451 -8.238 6.478 1.00 0.00 N ATOM 96 CA THR A 8 -11.137 -7.620 5.197 1.00 0.00 C ATOM 97 C THR A 8 -11.106 -8.661 4.077 1.00 0.00 C ATOM 98 O THR A 8 -11.412 -8.358 2.922 1.00 0.00 O ATOM 99 CB THR A 8 -9.781 -6.890 5.257 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.599 -6.306 6.552 1.00 0.00 O ATOM 101 CG2 THR A 8 -9.696 -5.810 4.193 1.00 0.00 C ATOM 0 H THR A 8 -10.652 -8.344 7.103 1.00 0.00 H new ATOM 0 HA THR A 8 -11.923 -6.895 4.983 1.00 0.00 H new ATOM 0 HB THR A 8 -8.993 -7.620 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.235 -6.978 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.729 -5.311 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.806 -6.261 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.492 -5.082 4.350 1.00 0.00 H new ATOM 109 N CYS A 9 -10.749 -9.890 4.431 1.00 0.00 N ATOM 110 CA CYS A 9 -10.652 -10.970 3.456 1.00 0.00 C ATOM 111 C CYS A 9 -11.048 -12.307 4.080 1.00 0.00 C ATOM 112 O CYS A 9 -10.206 -13.028 4.615 1.00 0.00 O ATOM 113 CB CYS A 9 -9.225 -11.054 2.902 1.00 0.00 C ATOM 114 SG CYS A 9 -8.954 -10.081 1.383 1.00 0.00 S ATOM 0 H CYS A 9 -10.522 -10.164 5.387 1.00 0.00 H new ATOM 0 HA CYS A 9 -11.342 -10.754 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.529 -10.712 3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.987 -12.098 2.699 1.00 0.00 H new ATOM 119 N SER A 10 -12.331 -12.639 4.004 1.00 0.00 N ATOM 120 CA SER A 10 -12.833 -13.902 4.535 1.00 0.00 C ATOM 121 C SER A 10 -12.818 -14.993 3.463 1.00 0.00 C ATOM 122 O SER A 10 -13.618 -15.931 3.498 1.00 0.00 O ATOM 123 CB SER A 10 -14.254 -13.716 5.073 1.00 0.00 C ATOM 124 OG SER A 10 -14.431 -12.410 5.605 1.00 0.00 O ATOM 0 H SER A 10 -13.046 -12.049 3.578 1.00 0.00 H new ATOM 0 HA SER A 10 -12.178 -14.214 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.975 -13.887 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.454 -14.458 5.846 1.00 0.00 H new ATOM 0 HG SER A 10 -15.347 -12.315 5.941 1.00 0.00 H new ATOM 130 N ILE A 11 -11.902 -14.865 2.512 1.00 0.00 N ATOM 131 CA ILE A 11 -11.784 -15.832 1.428 1.00 0.00 C ATOM 132 C ILE A 11 -10.938 -17.027 1.867 1.00 0.00 C ATOM 133 O ILE A 11 -11.364 -17.826 2.702 1.00 0.00 O ATOM 134 CB ILE A 11 -11.160 -15.197 0.162 1.00 0.00 C ATOM 135 CG1 ILE A 11 -11.390 -13.680 0.144 1.00 0.00 C ATOM 136 CG2 ILE A 11 -11.741 -15.837 -1.094 1.00 0.00 C ATOM 137 CD1 ILE A 11 -10.331 -12.919 -0.621 1.00 0.00 C ATOM 0 H ILE A 11 -11.229 -14.100 2.469 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.792 -16.168 1.183 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.086 -15.379 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -12.365 -13.473 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.420 -13.313 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.292 -15.380 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.527 -16.906 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.820 -15.684 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.557 -11.853 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.356 -13.096 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.315 -13.259 -1.657 1.00 0.00 H new ATOM 149 N ASP A 12 -9.743 -17.142 1.312 1.00 0.00 N ATOM 150 CA ASP A 12 -8.825 -18.209 1.690 1.00 0.00 C ATOM 151 C ASP A 12 -7.901 -17.717 2.795 1.00 0.00 C ATOM 152 O ASP A 12 -8.174 -16.691 3.421 1.00 0.00 O ATOM 153 CB ASP A 12 -8.006 -18.655 0.477 1.00 0.00 C ATOM 154 CG ASP A 12 -7.682 -20.133 0.507 1.00 0.00 C ATOM 155 OD1 ASP A 12 -6.877 -20.553 1.359 1.00 0.00 O ATOM 156 OD2 ASP A 12 -8.229 -20.884 -0.326 1.00 0.00 O ATOM 0 H ASP A 12 -9.383 -16.510 0.597 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.397 -19.062 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.559 -18.426 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.078 -18.084 0.439 1.00 0.00 H new ATOM 161 N ASP A 13 -6.814 -18.438 3.028 1.00 0.00 N ATOM 162 CA ASP A 13 -5.794 -17.997 3.973 1.00 0.00 C ATOM 163 C ASP A 13 -4.984 -16.865 3.355 1.00 0.00 C ATOM 164 O ASP A 13 -3.800 -17.011 3.048 1.00 0.00 O ATOM 165 CB ASP A 13 -4.877 -19.156 4.364 1.00 0.00 C ATOM 166 CG ASP A 13 -4.038 -18.845 5.587 1.00 0.00 C ATOM 167 OD1 ASP A 13 -4.559 -18.210 6.527 1.00 0.00 O ATOM 168 OD2 ASP A 13 -2.854 -19.249 5.622 1.00 0.00 O ATOM 0 H ASP A 13 -6.614 -19.331 2.577 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.284 -17.637 4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.480 -20.043 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.220 -19.393 3.527 1.00 0.00 H new ATOM 173 N TYR A 14 -5.648 -15.742 3.151 1.00 0.00 N ATOM 174 CA TYR A 14 -5.047 -14.599 2.498 1.00 0.00 C ATOM 175 C TYR A 14 -4.471 -13.646 3.525 1.00 0.00 C ATOM 176 O TYR A 14 -5.153 -13.249 4.468 1.00 0.00 O ATOM 177 CB TYR A 14 -6.085 -13.873 1.643 1.00 0.00 C ATOM 178 CG TYR A 14 -6.107 -14.327 0.205 1.00 0.00 C ATOM 179 CD1 TYR A 14 -4.991 -14.180 -0.605 1.00 0.00 C ATOM 180 CD2 TYR A 14 -7.245 -14.901 -0.343 1.00 0.00 C ATOM 181 CE1 TYR A 14 -5.004 -14.593 -1.922 1.00 0.00 C ATOM 182 CE2 TYR A 14 -7.267 -15.317 -1.659 1.00 0.00 C ATOM 183 CZ TYR A 14 -6.144 -15.162 -2.445 1.00 0.00 C ATOM 184 OH TYR A 14 -6.163 -15.572 -3.759 1.00 0.00 O ATOM 0 H TYR A 14 -6.618 -15.599 3.434 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.241 -14.954 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.073 -14.025 2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.884 -12.802 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.095 -13.734 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.126 -15.024 0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.126 -14.471 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.160 -15.762 -2.072 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.041 -15.953 -3.970 1.00 0.00 H new ATOM 194 N LYS A 15 -3.215 -13.289 3.343 1.00 0.00 N ATOM 195 CA LYS A 15 -2.579 -12.318 4.208 1.00 0.00 C ATOM 196 C LYS A 15 -2.830 -10.918 3.670 1.00 0.00 C ATOM 197 O LYS A 15 -2.474 -10.614 2.533 1.00 0.00 O ATOM 198 CB LYS A 15 -1.075 -12.584 4.312 1.00 0.00 C ATOM 199 CG LYS A 15 -0.734 -13.985 4.796 1.00 0.00 C ATOM 200 CD LYS A 15 0.756 -14.262 4.701 1.00 0.00 C ATOM 201 CE LYS A 15 1.155 -14.675 3.294 1.00 0.00 C ATOM 202 NZ LYS A 15 2.515 -14.192 2.941 1.00 0.00 N ATOM 0 H LYS A 15 -2.616 -13.657 2.604 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.006 -12.404 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.619 -12.426 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.632 -11.856 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.062 -14.104 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.280 -14.719 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.312 -13.371 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.027 -15.050 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.122 -15.761 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.432 -14.279 2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.685 -14.343 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.590 -13.177 3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.224 -14.717 3.493 1.00 0.00 H new ATOM 216 N PRO A 16 -3.485 -10.065 4.464 1.00 0.00 N ATOM 217 CA PRO A 16 -3.720 -8.668 4.109 1.00 0.00 C ATOM 218 C PRO A 16 -2.432 -7.865 4.194 1.00 0.00 C ATOM 219 O PRO A 16 -1.585 -8.120 5.052 1.00 0.00 O ATOM 220 CB PRO A 16 -4.734 -8.182 5.157 1.00 0.00 C ATOM 221 CG PRO A 16 -5.200 -9.413 5.864 1.00 0.00 C ATOM 222 CD PRO A 16 -4.068 -10.393 5.766 1.00 0.00 C ATOM 0 HA PRO A 16 -4.083 -8.551 3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.273 -7.481 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.567 -7.662 4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.442 -9.198 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.103 -9.811 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.350 -10.268 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.418 -11.424 5.807 1.00 0.00 H new ATOM 230 N TYR A 17 -2.277 -6.910 3.298 1.00 0.00 N ATOM 231 CA TYR A 17 -1.065 -6.117 3.237 1.00 0.00 C ATOM 232 C TYR A 17 -1.387 -4.644 3.060 1.00 0.00 C ATOM 233 O TYR A 17 -2.340 -4.285 2.368 1.00 0.00 O ATOM 234 CB TYR A 17 -0.187 -6.574 2.070 1.00 0.00 C ATOM 235 CG TYR A 17 0.557 -7.869 2.314 1.00 0.00 C ATOM 236 CD1 TYR A 17 1.774 -7.882 2.978 1.00 0.00 C ATOM 237 CD2 TYR A 17 0.040 -9.075 1.869 1.00 0.00 C ATOM 238 CE1 TYR A 17 2.458 -9.063 3.191 1.00 0.00 C ATOM 239 CE2 TYR A 17 0.714 -10.261 2.076 1.00 0.00 C ATOM 240 CZ TYR A 17 1.925 -10.252 2.735 1.00 0.00 C ATOM 241 OH TYR A 17 2.603 -11.435 2.933 1.00 0.00 O ATOM 0 H TYR A 17 -2.978 -6.664 2.600 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.532 -6.257 4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.813 -6.690 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.537 -5.790 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.194 -6.953 3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.908 -9.087 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.404 -9.056 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.295 -11.192 1.724 1.00 0.00 H new ATOM 0 HH TYR A 17 3.133 -11.375 3.755 1.00 0.00 H new ATOM 251 N CYS A 18 -0.591 -3.799 3.690 1.00 0.00 N ATOM 252 CA CYS A 18 -0.654 -2.372 3.441 1.00 0.00 C ATOM 253 C CYS A 18 0.430 -2.012 2.442 1.00 0.00 C ATOM 254 O CYS A 18 1.620 -2.127 2.740 1.00 0.00 O ATOM 255 CB CYS A 18 -0.473 -1.577 4.736 1.00 0.00 C ATOM 256 SG CYS A 18 -0.909 0.190 4.590 1.00 0.00 S ATOM 0 H CYS A 18 0.108 -4.078 4.379 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.634 -2.117 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.086 -2.029 5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.565 -1.659 5.059 1.00 0.00 H new ATOM 261 N CYS A 19 0.021 -1.600 1.253 1.00 0.00 N ATOM 262 CA CYS A 19 0.963 -1.356 0.174 1.00 0.00 C ATOM 263 C CYS A 19 0.925 0.094 -0.285 1.00 0.00 C ATOM 264 O CYS A 19 -0.145 0.647 -0.554 1.00 0.00 O ATOM 265 CB CYS A 19 0.661 -2.282 -1.001 1.00 0.00 C ATOM 266 SG CYS A 19 0.619 -4.049 -0.560 1.00 0.00 S ATOM 0 H CYS A 19 -0.955 -1.428 1.011 1.00 0.00 H new ATOM 0 HA CYS A 19 1.965 -1.561 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.300 -2.003 -1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.414 -2.129 -1.774 1.00 0.00 H new ATOM 271 N GLN A 20 2.096 0.705 -0.375 1.00 0.00 N ATOM 272 CA GLN A 20 2.212 2.075 -0.849 1.00 0.00 C ATOM 273 C GLN A 20 2.361 2.095 -2.366 1.00 0.00 C ATOM 274 O GLN A 20 3.425 1.780 -2.896 1.00 0.00 O ATOM 275 CB GLN A 20 3.416 2.755 -0.197 1.00 0.00 C ATOM 276 CG GLN A 20 3.057 3.967 0.646 1.00 0.00 C ATOM 277 CD GLN A 20 2.808 5.212 -0.185 1.00 0.00 C ATOM 278 OE1 GLN A 20 3.367 5.254 -1.385 1.00 0.00 O flip ATOM 279 NE2 GLN A 20 2.120 6.131 0.254 1.00 0.00 N flip ATOM 0 H GLN A 20 2.984 0.271 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 20 1.307 2.619 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.935 2.030 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.114 3.061 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.166 3.744 1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.863 4.163 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.707 6.060 1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.962 6.965 -0.312 1.00 0.00 H new ATOM 288 N SER A 21 1.302 2.476 -3.057 1.00 0.00 N ATOM 289 CA SER A 21 1.318 2.508 -4.510 1.00 0.00 C ATOM 290 C SER A 21 1.492 3.936 -5.015 1.00 0.00 C ATOM 291 O SER A 21 0.905 4.872 -4.468 1.00 0.00 O ATOM 292 CB SER A 21 0.023 1.905 -5.056 1.00 0.00 C ATOM 293 OG SER A 21 -0.394 0.802 -4.269 1.00 0.00 O ATOM 0 H SER A 21 0.420 2.768 -2.637 1.00 0.00 H new ATOM 0 HA SER A 21 2.163 1.917 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.759 2.664 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.173 1.585 -6.087 1.00 0.00 H new ATOM 0 HG SER A 21 -1.057 1.101 -3.612 1.00 0.00 H new ATOM 569 N SER A 42 5.744 -6.778 -8.378 1.00 0.00 N ATOM 570 CA SER A 42 6.130 -5.633 -7.577 1.00 0.00 C ATOM 571 C SER A 42 5.233 -5.503 -6.348 1.00 0.00 C ATOM 572 O SER A 42 4.175 -4.868 -6.401 1.00 0.00 O ATOM 573 CB SER A 42 6.043 -4.368 -8.429 1.00 0.00 C ATOM 574 OG SER A 42 5.517 -4.659 -9.716 1.00 0.00 O ATOM 0 HA SER A 42 7.155 -5.772 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.411 -3.632 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.033 -3.923 -8.528 1.00 0.00 H new ATOM 0 HG SER A 42 5.376 -5.625 -9.801 1.00 0.00 H new ATOM 580 N LEU A 43 5.655 -6.104 -5.243 1.00 0.00 N ATOM 581 CA LEU A 43 4.901 -6.022 -4.002 1.00 0.00 C ATOM 582 C LEU A 43 5.837 -5.872 -2.805 1.00 0.00 C ATOM 583 O LEU A 43 6.483 -6.833 -2.378 1.00 0.00 O ATOM 584 CB LEU A 43 4.015 -7.262 -3.825 1.00 0.00 C ATOM 585 CG LEU A 43 2.514 -7.051 -4.077 1.00 0.00 C ATOM 586 CD1 LEU A 43 2.098 -5.621 -3.760 1.00 0.00 C ATOM 587 CD2 LEU A 43 2.159 -7.400 -5.513 1.00 0.00 C ATOM 0 H LEU A 43 6.513 -6.652 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 43 4.263 -5.140 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.372 -8.040 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.145 -7.637 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 43 1.967 -7.717 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.031 -5.502 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.308 -5.405 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.657 -4.931 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.092 -7.244 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.724 -6.762 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.406 -8.444 -5.705 1.00 0.00 H new ATOM 599 N GLY A 44 5.910 -4.661 -2.277 1.00 0.00 N ATOM 600 CA GLY A 44 6.687 -4.406 -1.084 1.00 0.00 C ATOM 601 C GLY A 44 5.821 -3.839 0.015 1.00 0.00 C ATOM 602 O GLY A 44 5.670 -2.623 0.132 1.00 0.00 O ATOM 0 H GLY A 44 5.439 -3.841 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.152 -5.331 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.493 -3.709 -1.313 1.00 0.00 H new ATOM 606 N CYS A 45 5.250 -4.716 0.823 1.00 0.00 N ATOM 607 CA CYS A 45 4.252 -4.305 1.794 1.00 0.00 C ATOM 608 C CYS A 45 4.518 -4.900 3.166 1.00 0.00 C ATOM 609 O CYS A 45 5.418 -5.717 3.344 1.00 0.00 O ATOM 610 CB CYS A 45 2.873 -4.749 1.329 1.00 0.00 C ATOM 611 SG CYS A 45 2.577 -4.556 -0.457 1.00 0.00 S ATOM 0 H CYS A 45 5.460 -5.714 0.826 1.00 0.00 H new ATOM 0 HA CYS A 45 4.301 -3.219 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.734 -5.797 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.120 -4.179 1.873 1.00 0.00 H new ATOM 616 N VAL A 46 3.708 -4.494 4.127 1.00 0.00 N ATOM 617 CA VAL A 46 3.743 -5.069 5.458 1.00 0.00 C ATOM 618 C VAL A 46 2.390 -5.694 5.754 1.00 0.00 C ATOM 619 O VAL A 46 1.389 -5.314 5.142 1.00 0.00 O ATOM 620 CB VAL A 46 4.069 -4.012 6.533 1.00 0.00 C ATOM 621 CG1 VAL A 46 5.564 -3.742 6.581 1.00 0.00 C ATOM 622 CG2 VAL A 46 3.296 -2.724 6.276 1.00 0.00 C ATOM 0 H VAL A 46 3.010 -3.760 4.007 1.00 0.00 H new ATOM 0 HA VAL A 46 4.532 -5.821 5.487 1.00 0.00 H new ATOM 0 HB VAL A 46 3.761 -4.404 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.774 -2.994 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.093 -4.664 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.899 -3.374 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.541 -1.993 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.567 -2.326 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.226 -2.931 6.300 1.00 0.00 H new ATOM 632 N VAL A 47 2.358 -6.653 6.671 1.00 0.00 N ATOM 633 CA VAL A 47 1.116 -7.342 7.002 1.00 0.00 C ATOM 634 C VAL A 47 0.098 -6.363 7.562 1.00 0.00 C ATOM 635 O VAL A 47 0.443 -5.457 8.324 1.00 0.00 O ATOM 636 CB VAL A 47 1.326 -8.495 8.010 1.00 0.00 C ATOM 637 CG1 VAL A 47 1.599 -9.798 7.274 1.00 0.00 C ATOM 638 CG2 VAL A 47 2.449 -8.178 8.988 1.00 0.00 C ATOM 0 H VAL A 47 3.173 -6.970 7.196 1.00 0.00 H new ATOM 0 HA VAL A 47 0.745 -7.776 6.074 1.00 0.00 H new ATOM 0 HB VAL A 47 0.410 -8.609 8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.745 -10.601 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.751 -10.038 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.497 -9.691 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.571 -9.009 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.378 -8.025 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.203 -7.273 9.544 1.00 0.00 H new ATOM 648 N GLY A 48 -1.145 -6.537 7.151 1.00 0.00 N ATOM 649 CA GLY A 48 -2.205 -5.665 7.592 1.00 0.00 C ATOM 650 C GLY A 48 -2.390 -5.705 9.089 1.00 0.00 C ATOM 651 O GLY A 48 -2.733 -6.749 9.648 1.00 0.00 O ATOM 0 H GLY A 48 -1.440 -7.276 6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.985 -4.643 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.137 -5.953 7.105 1.00 0.00 H new ATOM 655 N VAL A 49 -2.134 -4.577 9.735 1.00 0.00 N ATOM 656 CA VAL A 49 -2.318 -4.450 11.173 1.00 0.00 C ATOM 657 C VAL A 49 -3.788 -4.625 11.529 1.00 0.00 C ATOM 658 O VAL A 49 -4.567 -3.678 11.461 1.00 0.00 O ATOM 659 CB VAL A 49 -1.824 -3.081 11.692 1.00 0.00 C ATOM 660 CG1 VAL A 49 -0.419 -3.202 12.259 1.00 0.00 C ATOM 661 CG2 VAL A 49 -1.871 -2.030 10.589 1.00 0.00 C ATOM 0 H VAL A 49 -1.795 -3.729 9.281 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.725 -5.230 11.650 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.492 -2.760 12.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.087 -2.228 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.420 -3.914 13.084 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.259 -3.551 11.480 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.518 -1.076 10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.233 -2.341 9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.896 -1.920 10.234 1.00 0.00 H new ATOM 671 N ILE A 50 -4.149 -5.848 11.897 1.00 0.00 N ATOM 672 CA ILE A 50 -5.535 -6.201 12.169 1.00 0.00 C ATOM 673 C ILE A 50 -6.109 -5.369 13.310 1.00 0.00 C ATOM 674 O ILE A 50 -5.802 -5.597 14.481 1.00 0.00 O ATOM 675 CB ILE A 50 -5.688 -7.705 12.493 1.00 0.00 C ATOM 676 CG1 ILE A 50 -4.469 -8.226 13.260 1.00 0.00 C ATOM 677 CG2 ILE A 50 -5.882 -8.496 11.210 1.00 0.00 C ATOM 678 CD1 ILE A 50 -4.738 -9.501 14.032 1.00 0.00 C ATOM 0 H ILE A 50 -3.492 -6.619 12.015 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.096 -5.984 11.260 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.566 -7.833 13.126 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.655 -8.402 12.556 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.130 -7.456 13.953 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.989 -9.554 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.779 -8.146 10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.017 -8.355 10.562 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.831 -9.811 14.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.530 -9.325 14.760 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.048 -10.286 13.342 1.00 0.00 H new ATOM 690 N GLY A 51 -6.929 -4.393 12.950 1.00 0.00 N ATOM 691 CA GLY A 51 -7.558 -3.534 13.932 1.00 0.00 C ATOM 692 C GLY A 51 -7.084 -2.101 13.825 1.00 0.00 C ATOM 693 O GLY A 51 -7.635 -1.207 14.466 1.00 0.00 O ATOM 0 H GLY A 51 -7.172 -4.179 11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.640 -3.568 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.345 -3.912 14.932 1.00 0.00 H new ATOM 697 N SER A 52 -6.064 -1.880 13.011 1.00 0.00 N ATOM 698 CA SER A 52 -5.506 -0.552 12.832 1.00 0.00 C ATOM 699 C SER A 52 -5.786 -0.040 11.424 1.00 0.00 C ATOM 700 O SER A 52 -6.052 -0.822 10.507 1.00 0.00 O ATOM 701 CB SER A 52 -4.002 -0.576 13.092 1.00 0.00 C ATOM 702 OG SER A 52 -3.697 -1.349 14.242 1.00 0.00 O ATOM 0 H SER A 52 -5.605 -2.607 12.462 1.00 0.00 H new ATOM 0 HA SER A 52 -5.979 0.122 13.546 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.486 -0.988 12.225 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.636 0.442 13.226 1.00 0.00 H new ATOM 0 HG SER A 52 -2.728 -1.351 14.387 1.00 0.00 H new ATOM 708 N GLN A 53 -5.733 1.271 11.257 1.00 0.00 N ATOM 709 CA GLN A 53 -5.977 1.873 9.959 1.00 0.00 C ATOM 710 C GLN A 53 -4.665 2.194 9.266 1.00 0.00 C ATOM 711 O GLN A 53 -3.644 2.431 9.911 1.00 0.00 O ATOM 712 CB GLN A 53 -6.822 3.143 10.076 1.00 0.00 C ATOM 713 CG GLN A 53 -7.266 3.474 11.490 1.00 0.00 C ATOM 714 CD GLN A 53 -6.387 4.522 12.140 1.00 0.00 C ATOM 715 OE1 GLN A 53 -5.784 5.349 11.459 1.00 0.00 O ATOM 716 NE2 GLN A 53 -6.311 4.497 13.459 1.00 0.00 N ATOM 0 H GLN A 53 -5.524 1.936 12.002 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.532 1.148 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.250 3.983 9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.705 3.036 9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.296 3.829 11.471 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.253 2.567 12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.828 3.793 13.986 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.736 5.181 13.950 1.00 0.00 H new ATOM 725 N CYS A 54 -4.708 2.213 7.950 1.00 0.00 N ATOM 726 CA CYS A 54 -3.528 2.453 7.143 1.00 0.00 C ATOM 727 C CYS A 54 -3.787 3.585 6.160 1.00 0.00 C ATOM 728 O CYS A 54 -4.934 3.845 5.788 1.00 0.00 O ATOM 729 CB CYS A 54 -3.147 1.177 6.388 1.00 0.00 C ATOM 730 SG CYS A 54 -1.379 0.741 6.488 1.00 0.00 S ATOM 0 H CYS A 54 -5.560 2.063 7.410 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.704 2.739 7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.736 0.348 6.780 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.421 1.294 5.340 1.00 0.00 H new ATOM 735 N GLY A 55 -2.727 4.263 5.754 1.00 0.00 N ATOM 736 CA GLY A 55 -2.860 5.338 4.795 1.00 0.00 C ATOM 737 C GLY A 55 -2.346 4.936 3.430 1.00 0.00 C ATOM 738 O GLY A 55 -1.569 5.664 2.809 1.00 0.00 O ATOM 0 H GLY A 55 -1.774 4.088 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.907 5.630 4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.311 6.211 5.148 1.00 0.00 H new ATOM 742 N ALA A 56 -2.769 3.767 2.973 1.00 0.00 N ATOM 743 CA ALA A 56 -2.331 3.236 1.695 1.00 0.00 C ATOM 744 C ALA A 56 -3.323 2.201 1.188 1.00 0.00 C ATOM 745 O ALA A 56 -4.396 2.023 1.771 1.00 0.00 O ATOM 746 CB ALA A 56 -0.943 2.626 1.824 1.00 0.00 C ATOM 0 H ALA A 56 -3.421 3.165 3.475 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.283 4.052 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.628 2.232 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.239 3.391 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.967 1.818 2.555 1.00 0.00 H new ATOM 752 N SER A 57 -2.963 1.517 0.117 1.00 0.00 N ATOM 753 CA SER A 57 -3.828 0.514 -0.482 1.00 0.00 C ATOM 754 C SER A 57 -3.759 -0.796 0.298 1.00 0.00 C ATOM 755 O SER A 57 -2.678 -1.233 0.699 1.00 0.00 O ATOM 756 CB SER A 57 -3.411 0.286 -1.933 1.00 0.00 C ATOM 757 OG SER A 57 -2.213 0.991 -2.229 1.00 0.00 O ATOM 0 H SER A 57 -2.070 1.639 -0.360 1.00 0.00 H new ATOM 0 HA SER A 57 -4.857 0.872 -0.451 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.265 -0.779 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.207 0.615 -2.601 1.00 0.00 H new ATOM 0 HG SER A 57 -1.460 0.565 -1.768 1.00 0.00 H new ATOM 763 N VAL A 58 -4.912 -1.414 0.512 1.00 0.00 N ATOM 764 CA VAL A 58 -4.976 -2.675 1.238 1.00 0.00 C ATOM 765 C VAL A 58 -5.238 -3.831 0.280 1.00 0.00 C ATOM 766 O VAL A 58 -6.237 -3.844 -0.439 1.00 0.00 O ATOM 767 CB VAL A 58 -6.067 -2.662 2.329 1.00 0.00 C ATOM 768 CG1 VAL A 58 -6.004 -3.933 3.165 1.00 0.00 C ATOM 769 CG2 VAL A 58 -5.929 -1.432 3.213 1.00 0.00 C ATOM 0 H VAL A 58 -5.815 -1.063 0.194 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.010 -2.809 1.724 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.040 -2.622 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.781 -3.905 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.158 -4.799 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.027 -4.006 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.708 -1.443 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.951 -1.437 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.029 -0.533 2.604 1.00 0.00 H new ATOM 779 N LYS A 59 -4.330 -4.792 0.272 1.00 0.00 N ATOM 780 CA LYS A 59 -4.434 -5.941 -0.613 1.00 0.00 C ATOM 781 C LYS A 59 -4.427 -7.234 0.184 1.00 0.00 C ATOM 782 O LYS A 59 -4.164 -7.233 1.384 1.00 0.00 O ATOM 783 CB LYS A 59 -3.278 -5.957 -1.615 1.00 0.00 C ATOM 784 CG LYS A 59 -2.862 -4.576 -2.089 1.00 0.00 C ATOM 785 CD LYS A 59 -1.654 -4.630 -3.011 1.00 0.00 C ATOM 786 CE LYS A 59 -1.770 -5.739 -4.045 1.00 0.00 C ATOM 787 NZ LYS A 59 -2.380 -5.250 -5.307 1.00 0.00 N ATOM 0 H LYS A 59 -3.506 -4.799 0.873 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.376 -5.860 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.419 -6.448 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.566 -6.557 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.695 -4.105 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.632 -3.951 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.544 -3.672 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.752 -4.782 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.781 -6.148 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.373 -6.552 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.692 -6.061 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.198 -4.647 -5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.678 -4.699 -5.841 1.00 0.00 H new ATOM 801 N CYS A 60 -4.721 -8.329 -0.491 1.00 0.00 N ATOM 802 CA CYS A 60 -4.689 -9.647 0.125 1.00 0.00 C ATOM 803 C CYS A 60 -3.866 -10.585 -0.744 1.00 0.00 C ATOM 804 O CYS A 60 -4.149 -10.743 -1.930 1.00 0.00 O ATOM 805 CB CYS A 60 -6.109 -10.191 0.303 1.00 0.00 C ATOM 806 SG CYS A 60 -7.073 -9.347 1.603 1.00 0.00 S ATOM 0 H CYS A 60 -4.987 -8.333 -1.476 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.231 -9.572 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.642 -10.103 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.053 -11.254 0.540 1.00 0.00 H new ATOM 811 N CYS A 61 -2.837 -11.189 -0.172 1.00 0.00 N ATOM 812 CA CYS A 61 -1.940 -12.020 -0.953 1.00 0.00 C ATOM 813 C CYS A 61 -1.653 -13.352 -0.276 1.00 0.00 C ATOM 814 O CYS A 61 -1.450 -13.426 0.937 1.00 0.00 O ATOM 815 CB CYS A 61 -0.629 -11.282 -1.221 1.00 0.00 C ATOM 816 SG CYS A 61 0.023 -11.513 -2.910 1.00 0.00 S ATOM 0 H CYS A 61 -2.605 -11.120 0.819 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.441 -12.231 -1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.781 -10.217 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.119 -11.621 -0.505 1.00 0.00 H new ATOM 821 N LYS A 62 -1.673 -14.402 -1.079 1.00 0.00 N ATOM 822 CA LYS A 62 -1.212 -15.710 -0.661 1.00 0.00 C ATOM 823 C LYS A 62 0.136 -15.961 -1.311 1.00 0.00 C ATOM 824 O LYS A 62 0.239 -16.065 -2.540 1.00 0.00 O ATOM 825 CB LYS A 62 -2.218 -16.797 -1.055 1.00 0.00 C ATOM 826 CG LYS A 62 -1.683 -18.212 -0.899 1.00 0.00 C ATOM 827 CD LYS A 62 -2.477 -19.000 0.134 1.00 0.00 C ATOM 828 CE LYS A 62 -1.564 -19.843 1.012 1.00 0.00 C ATOM 829 NZ LYS A 62 -1.869 -21.295 0.911 1.00 0.00 N ATOM 0 H LYS A 62 -2.011 -14.369 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.116 -15.742 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.115 -16.688 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.517 -16.644 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.724 -18.725 -1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.635 -18.175 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.050 -18.313 0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.195 -19.645 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.527 -19.671 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.665 -19.524 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.222 -21.829 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.851 -21.465 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.748 -21.608 -0.073 1.00 0.00 H new ATOM 843 N ASP A 63 1.170 -16.023 -0.491 1.00 0.00 N ATOM 844 CA ASP A 63 2.534 -16.090 -0.989 1.00 0.00 C ATOM 845 C ASP A 63 3.498 -16.510 0.116 1.00 0.00 C ATOM 846 O ASP A 63 3.169 -16.450 1.299 1.00 0.00 O ATOM 847 CB ASP A 63 2.951 -14.729 -1.562 1.00 0.00 C ATOM 848 CG ASP A 63 3.633 -13.844 -0.537 1.00 0.00 C ATOM 849 OD1 ASP A 63 2.984 -13.470 0.469 1.00 0.00 O ATOM 850 OD2 ASP A 63 4.812 -13.513 -0.743 1.00 0.00 O ATOM 0 H ASP A 63 1.091 -16.028 0.526 1.00 0.00 H new ATOM 0 HA ASP A 63 2.573 -16.840 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.624 -14.886 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.070 -14.217 -1.948 1.00 0.00 H new ATOM 855 N ASP A 64 4.686 -16.928 -0.280 1.00 0.00 N ATOM 856 CA ASP A 64 5.697 -17.379 0.666 1.00 0.00 C ATOM 857 C ASP A 64 6.726 -16.282 0.930 1.00 0.00 C ATOM 858 O ASP A 64 7.706 -16.142 0.195 1.00 0.00 O ATOM 859 CB ASP A 64 6.384 -18.636 0.132 1.00 0.00 C ATOM 860 CG ASP A 64 7.499 -19.129 1.030 1.00 0.00 C ATOM 861 OD1 ASP A 64 7.249 -19.351 2.235 1.00 0.00 O ATOM 862 OD2 ASP A 64 8.626 -19.323 0.529 1.00 0.00 O ATOM 0 H ASP A 64 4.978 -16.966 -1.256 1.00 0.00 H new ATOM 0 HA ASP A 64 5.207 -17.614 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.643 -19.427 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.788 -18.429 -0.859 1.00 0.00 H new ATOM 867 N VAL A 65 6.488 -15.496 1.975 1.00 0.00 N ATOM 868 CA VAL A 65 7.408 -14.433 2.359 1.00 0.00 C ATOM 869 C VAL A 65 8.506 -14.982 3.257 1.00 0.00 C ATOM 870 O VAL A 65 8.232 -15.717 4.210 1.00 0.00 O ATOM 871 CB VAL A 65 6.691 -13.288 3.102 1.00 0.00 C ATOM 872 CG1 VAL A 65 7.687 -12.230 3.554 1.00 0.00 C ATOM 873 CG2 VAL A 65 5.619 -12.666 2.229 1.00 0.00 C ATOM 0 H VAL A 65 5.664 -15.576 2.571 1.00 0.00 H new ATOM 0 HA VAL A 65 7.835 -14.037 1.438 1.00 0.00 H new ATOM 0 HB VAL A 65 6.212 -13.710 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.159 -11.432 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.417 -12.681 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.199 -11.818 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.127 -11.861 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.074 -12.265 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.883 -13.424 1.960 1.00 0.00 H new ATOM 883 N THR A 66 9.738 -14.629 2.949 1.00 0.00 N ATOM 884 CA THR A 66 10.875 -15.052 3.741 1.00 0.00 C ATOM 885 C THR A 66 11.343 -13.929 4.668 1.00 0.00 C ATOM 886 O THR A 66 11.294 -12.751 4.303 1.00 0.00 O ATOM 887 CB THR A 66 12.029 -15.468 2.819 1.00 0.00 C ATOM 888 OG1 THR A 66 11.929 -14.753 1.578 1.00 0.00 O ATOM 889 CG2 THR A 66 11.986 -16.963 2.552 1.00 0.00 C ATOM 0 H THR A 66 9.978 -14.045 2.148 1.00 0.00 H new ATOM 0 HA THR A 66 10.568 -15.902 4.350 1.00 0.00 H new ATOM 0 HB THR A 66 12.974 -15.229 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.666 -15.016 0.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.812 -17.239 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.074 -17.504 3.494 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.041 -17.220 2.073 1.00 0.00 H new ATOM 897 N ASN A 67 11.774 -14.290 5.870 1.00 0.00 N ATOM 898 CA ASN A 67 12.301 -13.313 6.818 1.00 0.00 C ATOM 899 C ASN A 67 13.823 -13.389 6.856 1.00 0.00 C ATOM 900 O ASN A 67 14.478 -12.697 7.634 1.00 0.00 O ATOM 901 CB ASN A 67 11.701 -13.526 8.219 1.00 0.00 C ATOM 902 CG ASN A 67 12.484 -14.502 9.081 1.00 0.00 C ATOM 903 OD1 ASN A 67 12.562 -15.695 8.778 1.00 0.00 O ATOM 904 ND2 ASN A 67 13.047 -14.012 10.176 1.00 0.00 N ATOM 0 H ASN A 67 11.770 -15.251 6.213 1.00 0.00 H new ATOM 0 HA ASN A 67 12.013 -12.316 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.648 -12.565 8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.678 -13.888 8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.567 -14.628 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.961 -13.019 10.393 1.00 0.00 H new ATOM 911 N THR A 68 14.376 -14.208 5.975 1.00 0.00 N ATOM 912 CA THR A 68 15.812 -14.403 5.903 1.00 0.00 C ATOM 913 C THR A 68 16.479 -13.237 5.176 1.00 0.00 C ATOM 914 O THR A 68 16.439 -13.152 3.946 1.00 0.00 O ATOM 915 CB THR A 68 16.129 -15.715 5.167 1.00 0.00 C ATOM 916 OG1 THR A 68 14.985 -16.117 4.394 1.00 0.00 O ATOM 917 CG2 THR A 68 16.492 -16.818 6.150 1.00 0.00 C ATOM 0 H THR A 68 13.845 -14.752 5.295 1.00 0.00 H new ATOM 0 HA THR A 68 16.202 -14.453 6.920 1.00 0.00 H new ATOM 0 HB THR A 68 16.982 -15.546 4.510 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.186 -16.952 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.712 -17.735 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 68 17.369 -16.519 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.656 -16.991 6.828 1.00 0.00 H new ATOM 925 N GLY A 69 17.078 -12.336 5.944 1.00 0.00 N ATOM 926 CA GLY A 69 17.682 -11.148 5.370 1.00 0.00 C ATOM 927 C GLY A 69 16.632 -10.200 4.826 1.00 0.00 C ATOM 928 O GLY A 69 16.824 -9.569 3.786 1.00 0.00 O ATOM 0 H GLY A 69 17.157 -12.407 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 69 18.277 -10.638 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.364 -11.435 4.570 1.00 0.00 H new ATOM 932 N ASN A 70 15.514 -10.115 5.533 1.00 0.00 N ATOM 933 CA ASN A 70 14.390 -9.300 5.103 1.00 0.00 C ATOM 934 C ASN A 70 13.863 -8.462 6.257 1.00 0.00 C ATOM 935 O ASN A 70 13.444 -9.001 7.282 1.00 0.00 O ATOM 936 CB ASN A 70 13.273 -10.196 4.566 1.00 0.00 C ATOM 937 CG ASN A 70 12.878 -9.850 3.144 1.00 0.00 C ATOM 938 OD1 ASN A 70 13.247 -8.799 2.622 1.00 0.00 O ATOM 939 ND2 ASN A 70 12.123 -10.734 2.508 1.00 0.00 N ATOM 0 H ASN A 70 15.362 -10.606 6.414 1.00 0.00 H new ATOM 0 HA ASN A 70 14.731 -8.631 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.596 -11.236 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.400 -10.108 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.826 -10.555 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.839 -11.594 2.978 1.00 0.00 H new ATOM 946 N SER A 71 13.889 -7.146 6.093 1.00 0.00 N ATOM 947 CA SER A 71 13.404 -6.238 7.123 1.00 0.00 C ATOM 948 C SER A 71 11.884 -6.299 7.223 1.00 0.00 C ATOM 949 O SER A 71 11.314 -6.220 8.313 1.00 0.00 O ATOM 950 CB SER A 71 13.855 -4.810 6.814 1.00 0.00 C ATOM 951 OG SER A 71 14.959 -4.806 5.920 1.00 0.00 O ATOM 0 H SER A 71 14.241 -6.683 5.255 1.00 0.00 H new ATOM 0 HA SER A 71 13.823 -6.545 8.081 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.028 -4.250 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.130 -4.304 7.739 1.00 0.00 H new ATOM 0 HG SER A 71 14.632 -4.762 4.997 1.00 0.00 H new ATOM 957 N PHE A 72 11.233 -6.453 6.080 1.00 0.00 N ATOM 958 CA PHE A 72 9.784 -6.524 6.033 1.00 0.00 C ATOM 959 C PHE A 72 9.343 -7.640 5.090 1.00 0.00 C ATOM 960 O PHE A 72 10.160 -8.463 4.669 1.00 0.00 O ATOM 961 CB PHE A 72 9.190 -5.167 5.627 1.00 0.00 C ATOM 962 CG PHE A 72 9.369 -4.808 4.177 1.00 0.00 C ATOM 963 CD1 PHE A 72 10.604 -4.413 3.683 1.00 0.00 C ATOM 964 CD2 PHE A 72 8.293 -4.859 3.310 1.00 0.00 C ATOM 965 CE1 PHE A 72 10.756 -4.081 2.350 1.00 0.00 C ATOM 966 CE2 PHE A 72 8.437 -4.530 1.980 1.00 0.00 C ATOM 967 CZ PHE A 72 9.670 -4.138 1.497 1.00 0.00 C ATOM 0 H PHE A 72 11.689 -6.531 5.171 1.00 0.00 H new ATOM 0 HA PHE A 72 9.406 -6.760 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.125 -5.169 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.647 -4.389 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.455 -4.365 4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.325 -5.161 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.722 -3.777 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.587 -4.579 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.785 -3.877 0.455 1.00 0.00 H new ATOM 977 N LEU A 73 8.061 -7.671 4.760 1.00 0.00 N ATOM 978 CA LEU A 73 7.508 -8.767 3.980 1.00 0.00 C ATOM 979 C LEU A 73 7.565 -8.490 2.483 1.00 0.00 C ATOM 980 O LEU A 73 6.694 -7.822 1.926 1.00 0.00 O ATOM 981 CB LEU A 73 6.064 -9.044 4.404 1.00 0.00 C ATOM 982 CG LEU A 73 5.894 -9.494 5.856 1.00 0.00 C ATOM 983 CD1 LEU A 73 5.321 -8.367 6.697 1.00 0.00 C ATOM 984 CD2 LEU A 73 5.006 -10.728 5.931 1.00 0.00 C ATOM 0 H LEU A 73 7.386 -6.952 5.019 1.00 0.00 H new ATOM 0 HA LEU A 73 8.121 -9.646 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.475 -8.140 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.650 -9.811 3.750 1.00 0.00 H new ATOM 0 HG LEU A 73 6.874 -9.754 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.206 -8.704 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.996 -7.512 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.349 -8.075 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.896 -11.034 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.025 -10.496 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.460 -11.538 5.360 1.00 0.00 H new ATOM 996 N ILE A 74 8.607 -8.995 1.840 1.00 0.00 N ATOM 997 CA ILE A 74 8.672 -8.991 0.387 1.00 0.00 C ATOM 998 C ILE A 74 7.735 -10.062 -0.152 1.00 0.00 C ATOM 999 O ILE A 74 7.911 -11.245 0.139 1.00 0.00 O ATOM 1000 CB ILE A 74 10.108 -9.244 -0.128 1.00 0.00 C ATOM 1001 CG1 ILE A 74 11.033 -8.092 0.281 1.00 0.00 C ATOM 1002 CG2 ILE A 74 10.112 -9.423 -1.643 1.00 0.00 C ATOM 1003 CD1 ILE A 74 10.759 -6.794 -0.446 1.00 0.00 C ATOM 0 H ILE A 74 9.417 -9.411 2.300 1.00 0.00 H new ATOM 0 HA ILE A 74 8.368 -8.005 0.034 1.00 0.00 H new ATOM 0 HB ILE A 74 10.480 -10.163 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.934 -7.924 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.066 -8.387 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.131 -9.600 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.486 -10.275 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.721 -8.523 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 74 11.455 -6.030 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.887 -6.943 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.737 -6.472 -0.244 1.00 0.00 H new ATOM 1015 N ILE A 75 6.743 -9.643 -0.919 1.00 0.00 N ATOM 1016 CA ILE A 75 5.711 -10.551 -1.387 1.00 0.00 C ATOM 1017 C ILE A 75 6.069 -11.115 -2.753 1.00 0.00 C ATOM 1018 O ILE A 75 6.458 -10.378 -3.659 1.00 0.00 O ATOM 1019 CB ILE A 75 4.339 -9.839 -1.456 1.00 0.00 C ATOM 1020 CG1 ILE A 75 3.975 -9.274 -0.089 1.00 0.00 C ATOM 1021 CG2 ILE A 75 3.247 -10.779 -1.940 1.00 0.00 C ATOM 1022 CD1 ILE A 75 3.937 -7.767 -0.056 1.00 0.00 C ATOM 0 H ILE A 75 6.631 -8.678 -1.231 1.00 0.00 H new ATOM 0 HA ILE A 75 5.643 -11.372 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 75 4.420 -9.023 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.001 -9.661 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.697 -9.628 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.297 -10.245 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.496 -11.144 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.163 -11.623 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.672 -7.432 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.917 -7.372 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.195 -7.406 -0.768 1.00 0.00 H new ATOM 1034 N ASN A 76 5.943 -12.430 -2.886 1.00 0.00 N ATOM 1035 CA ASN A 76 6.234 -13.115 -4.142 1.00 0.00 C ATOM 1036 C ASN A 76 5.191 -12.765 -5.195 1.00 0.00 C ATOM 1037 O ASN A 76 5.388 -13.012 -6.386 1.00 0.00 O ATOM 1038 CB ASN A 76 6.279 -14.631 -3.933 1.00 0.00 C ATOM 1039 CG ASN A 76 7.612 -15.233 -4.337 1.00 0.00 C ATOM 1040 OD1 ASN A 76 8.664 -14.836 -3.837 1.00 0.00 O ATOM 1041 ND2 ASN A 76 7.580 -16.195 -5.249 1.00 0.00 N ATOM 0 H ASN A 76 5.639 -13.048 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 76 7.211 -12.782 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.085 -14.856 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.482 -15.098 -4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.447 -16.633 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.688 -16.497 -5.640 1.00 0.00 H new ATOM 1048 N ALA A 77 4.075 -12.199 -4.730 1.00 0.00 N ATOM 1049 CA ALA A 77 3.000 -11.719 -5.598 1.00 0.00 C ATOM 1050 C ALA A 77 2.382 -12.848 -6.415 1.00 0.00 C ATOM 1051 O ALA A 77 1.813 -12.615 -7.480 1.00 0.00 O ATOM 1052 CB ALA A 77 3.506 -10.611 -6.507 1.00 0.00 C ATOM 0 H ALA A 77 3.892 -12.061 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 77 2.215 -11.317 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.694 -10.265 -7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.869 -9.781 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.318 -10.991 -7.126 1.00 0.00 H new ATOM 1058 N ALA A 78 2.487 -14.064 -5.900 1.00 0.00 N ATOM 1059 CA ALA A 78 1.954 -15.229 -6.583 1.00 0.00 C ATOM 1060 C ALA A 78 0.433 -15.173 -6.653 1.00 0.00 C ATOM 1061 O ALA A 78 -0.150 -15.231 -7.736 1.00 0.00 O ATOM 1062 CB ALA A 78 2.406 -16.498 -5.881 1.00 0.00 C ATOM 0 H ALA A 78 2.938 -14.268 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 78 2.338 -15.233 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.001 -17.366 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.495 -16.548 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.047 -16.492 -4.852 1.00 0.00 H new ATOM 1068 N ASN A 79 -0.203 -15.055 -5.495 1.00 0.00 N ATOM 1069 CA ASN A 79 -1.657 -15.005 -5.425 1.00 0.00 C ATOM 1070 C ASN A 79 -2.106 -13.709 -4.772 1.00 0.00 C ATOM 1071 O ASN A 79 -2.382 -13.672 -3.575 1.00 0.00 O ATOM 1072 CB ASN A 79 -2.197 -16.195 -4.626 1.00 0.00 C ATOM 1073 CG ASN A 79 -1.641 -17.524 -5.099 1.00 0.00 C ATOM 1074 OD1 ASN A 79 -2.234 -18.195 -5.943 1.00 0.00 O ATOM 1075 ND2 ASN A 79 -0.495 -17.912 -4.553 1.00 0.00 N ATOM 0 H ASN A 79 0.265 -14.992 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.051 -15.052 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.953 -16.059 -3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.284 -16.214 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.072 -18.798 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.037 -17.324 -3.856 1.00 0.00 H new ATOM 1082 N CYS A 80 -2.172 -12.646 -5.552 1.00 0.00 N ATOM 1083 CA CYS A 80 -2.515 -11.344 -5.009 1.00 0.00 C ATOM 1084 C CYS A 80 -3.835 -10.848 -5.573 1.00 0.00 C ATOM 1085 O CYS A 80 -4.059 -10.874 -6.781 1.00 0.00 O ATOM 1086 CB CYS A 80 -1.408 -10.332 -5.320 1.00 0.00 C ATOM 1087 SG CYS A 80 -0.459 -9.786 -3.860 1.00 0.00 S ATOM 0 H CYS A 80 -1.994 -12.657 -6.556 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.617 -11.447 -3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.720 -10.773 -6.042 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.853 -9.459 -5.797 1.00 0.00 H new ATOM 1092 N VAL A 81 -4.714 -10.419 -4.682 1.00 0.00 N ATOM 1093 CA VAL A 81 -5.966 -9.796 -5.074 1.00 0.00 C ATOM 1094 C VAL A 81 -5.958 -8.345 -4.627 1.00 0.00 C ATOM 1095 O VAL A 81 -5.191 -7.981 -3.727 1.00 0.00 O ATOM 1096 CB VAL A 81 -7.204 -10.507 -4.481 1.00 0.00 C ATOM 1097 CG1 VAL A 81 -8.047 -11.124 -5.585 1.00 0.00 C ATOM 1098 CG2 VAL A 81 -6.801 -11.568 -3.467 1.00 0.00 C ATOM 0 H VAL A 81 -4.581 -10.492 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.042 -9.872 -6.159 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.801 -9.756 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.913 -11.620 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.382 -10.342 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.451 -11.853 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.695 -12.049 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.172 -12.315 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.247 -11.101 -2.653 1.00 0.00 H new ATOM 1108 N ALA A 82 -6.805 -7.529 -5.250 1.00 0.00 N ATOM 1109 CA ALA A 82 -6.849 -6.094 -4.989 1.00 0.00 C ATOM 1110 C ALA A 82 -5.558 -5.440 -5.459 1.00 0.00 C ATOM 1111 O ALA A 82 -4.960 -4.653 -4.696 1.00 0.00 O ATOM 1112 CB ALA A 82 -7.107 -5.801 -3.514 1.00 0.00 C ATOM 1113 OXT ALA A 82 -5.137 -5.717 -6.602 1.00 0.00 O ATOM 0 H ALA A 82 -7.478 -7.844 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.681 -5.670 -5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.133 -4.723 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.063 -6.234 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.310 -6.236 -2.912 1.00 0.00 H new