USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 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 13 HIS : no HE2:sc= -0.857 K(o=2.1,f=1.3) USER MOD Set 1.2: A 17 CYS SG : rot -50:sc= 1.46 USER MOD Set 1.3: A 69 TYR OH : rot -17:sc= 1.46 USER MOD Set 2.1: A 37 SER OG : rot 150:sc= 0.353 USER MOD Set 2.2: A 40 ASN : amide:sc= 0 X(o=0.35,f=0.35) USER MOD Set 3.1: A 3 SER OG : rot -119:sc= 1.5 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0899 USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.32 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= -0.268 (180deg=-0.268) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.18) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00598 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.021) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.85 USER MOD Single : A 26 SER OG : rot -29:sc= 0.833 USER MOD Single : A 29 GLN : amide:sc=-0.000851 X(o=-0.00085,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 28:sc= 1.2 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.00354 X(o=0.0035,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -137:sc= 1.11 (180deg=-0.426!) USER MOD Single : A 65 SER OG : rot 113:sc= 1.21 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.642 -11.936 -5.786 1.00 0.00 N ATOM 16 CA ASP A 2 -9.920 -10.763 -5.314 1.00 0.00 C ATOM 17 C ASP A 2 -10.033 -9.553 -6.261 1.00 0.00 C ATOM 18 O ASP A 2 -10.491 -9.634 -7.399 1.00 0.00 O ATOM 19 CB ASP A 2 -8.451 -11.148 -5.052 1.00 0.00 C ATOM 20 CG ASP A 2 -7.752 -11.730 -6.291 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.076 -12.894 -6.624 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.914 -11.013 -6.881 1.00 0.00 O ATOM 0 HA ASP A 2 -10.385 -10.436 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.905 -10.267 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.411 -11.877 -4.243 1.00 0.00 H new ATOM 27 N SER A 3 -9.625 -8.407 -5.735 1.00 0.00 N ATOM 28 CA SER A 3 -9.369 -7.157 -6.435 1.00 0.00 C ATOM 29 C SER A 3 -7.899 -6.779 -6.207 1.00 0.00 C ATOM 30 O SER A 3 -7.217 -7.336 -5.343 1.00 0.00 O ATOM 31 CB SER A 3 -10.275 -6.054 -5.871 1.00 0.00 C ATOM 32 OG SER A 3 -10.051 -4.793 -6.484 1.00 0.00 O ATOM 0 H SER A 3 -9.452 -8.321 -4.734 1.00 0.00 H new ATOM 0 HA SER A 3 -9.574 -7.270 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.318 -6.340 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.108 -5.966 -4.797 1.00 0.00 H new ATOM 0 HG SER A 3 -9.764 -4.146 -5.806 1.00 0.00 H new ATOM 38 N THR A 4 -7.402 -5.790 -6.946 1.00 0.00 N ATOM 39 CA THR A 4 -5.994 -5.383 -6.919 1.00 0.00 C ATOM 40 C THR A 4 -5.854 -3.919 -7.294 1.00 0.00 C ATOM 41 O THR A 4 -6.639 -3.375 -8.070 1.00 0.00 O ATOM 42 CB THR A 4 -5.160 -6.322 -7.801 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.942 -7.495 -7.071 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.767 -5.816 -8.186 1.00 0.00 C ATOM 0 H THR A 4 -7.971 -5.240 -7.590 1.00 0.00 H new ATOM 0 HA THR A 4 -5.602 -5.474 -5.906 1.00 0.00 H new ATOM 0 HB THR A 4 -5.730 -6.435 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.653 -7.603 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.269 -6.559 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.859 -4.882 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.179 -5.646 -7.284 1.00 0.00 H new ATOM 52 N ALA A 5 -4.850 -3.278 -6.703 1.00 0.00 N ATOM 53 CA ALA A 5 -4.518 -1.878 -6.927 1.00 0.00 C ATOM 54 C ALA A 5 -3.026 -1.591 -6.692 1.00 0.00 C ATOM 55 O ALA A 5 -2.332 -2.348 -5.993 1.00 0.00 O ATOM 56 CB ALA A 5 -5.403 -1.016 -6.021 1.00 0.00 C ATOM 0 H ALA A 5 -4.228 -3.734 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.710 -1.631 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.167 0.037 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.451 -1.192 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.221 -1.278 -4.979 1.00 0.00 H new ATOM 62 N THR A 6 -2.571 -0.458 -7.240 1.00 0.00 N ATOM 63 CA THR A 6 -1.199 0.040 -7.127 1.00 0.00 C ATOM 64 C THR A 6 -1.191 1.418 -6.493 1.00 0.00 C ATOM 65 O THR A 6 -1.985 2.291 -6.845 1.00 0.00 O ATOM 66 CB THR A 6 -0.516 0.119 -8.490 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.696 -1.101 -9.169 1.00 0.00 O ATOM 68 CG2 THR A 6 0.984 0.361 -8.337 1.00 0.00 C ATOM 0 H THR A 6 -3.169 0.156 -7.792 1.00 0.00 H new ATOM 0 HA THR A 6 -0.650 -0.663 -6.501 1.00 0.00 H new ATOM 0 HB THR A 6 -0.959 0.946 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.261 -1.055 -10.046 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.447 0.413 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.149 1.300 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.429 -0.457 -7.770 1.00 0.00 H new ATOM 76 N PHE A 7 -0.236 1.612 -5.589 1.00 0.00 N ATOM 77 CA PHE A 7 -0.047 2.841 -4.831 1.00 0.00 C ATOM 78 C PHE A 7 1.437 3.202 -4.767 1.00 0.00 C ATOM 79 O PHE A 7 2.302 2.335 -4.641 1.00 0.00 O ATOM 80 CB PHE A 7 -0.622 2.693 -3.416 1.00 0.00 C ATOM 81 CG PHE A 7 -2.007 2.058 -3.356 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.181 0.656 -3.367 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.144 2.888 -3.378 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.464 0.103 -3.438 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.429 2.327 -3.444 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.589 0.937 -3.480 1.00 0.00 C ATOM 0 H PHE A 7 0.450 0.893 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.580 3.646 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.065 2.092 -2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.668 3.678 -2.952 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.319 0.008 -3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.027 3.961 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.588 -0.970 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.297 2.970 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.578 0.508 -3.540 1.00 0.00 H new ATOM 96 N ILE A 8 1.742 4.496 -4.828 1.00 0.00 N ATOM 97 CA ILE A 8 3.096 5.026 -4.866 1.00 0.00 C ATOM 98 C ILE A 8 3.268 6.154 -3.866 1.00 0.00 C ATOM 99 O ILE A 8 2.425 7.041 -3.784 1.00 0.00 O ATOM 100 CB ILE A 8 3.436 5.425 -6.315 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.944 5.706 -6.407 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.625 6.609 -6.870 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.516 5.457 -7.802 1.00 0.00 C ATOM 0 H ILE A 8 1.029 5.225 -4.853 1.00 0.00 H new ATOM 0 HA ILE A 8 3.811 4.262 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 8 3.152 4.583 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.133 6.741 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.469 5.077 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.936 6.814 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.564 6.362 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.801 7.491 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.584 5.673 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.357 4.415 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.015 6.105 -8.522 1.00 0.00 H new ATOM 115 N ILE A 9 4.349 6.064 -3.089 1.00 0.00 N ATOM 116 CA ILE A 9 4.650 6.892 -1.934 1.00 0.00 C ATOM 117 C ILE A 9 5.890 7.748 -2.248 1.00 0.00 C ATOM 118 O ILE A 9 7.015 7.263 -2.158 1.00 0.00 O ATOM 119 CB ILE A 9 4.929 6.001 -0.690 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.962 4.831 -0.380 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.968 6.928 0.539 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.032 3.583 -1.255 1.00 0.00 C ATOM 0 H ILE A 9 5.075 5.370 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 9 3.797 7.535 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 9 5.865 5.496 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.132 4.524 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.944 5.218 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.162 6.337 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.760 7.666 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.010 7.437 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.295 2.857 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.822 3.852 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.029 3.147 -1.188 1.00 0.00 H new ATOM 134 N ASP A 10 5.741 9.032 -2.568 1.00 0.00 N ATOM 135 CA ASP A 10 6.883 9.919 -2.887 1.00 0.00 C ATOM 136 C ASP A 10 7.685 10.391 -1.647 1.00 0.00 C ATOM 137 O ASP A 10 8.162 11.523 -1.586 1.00 0.00 O ATOM 138 CB ASP A 10 6.413 11.098 -3.755 1.00 0.00 C ATOM 139 CG ASP A 10 7.495 11.631 -4.700 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.405 10.858 -5.077 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.342 12.812 -5.094 1.00 0.00 O ATOM 0 H ASP A 10 4.834 9.495 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 10 7.592 9.320 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.550 10.785 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.079 11.907 -3.105 1.00 0.00 H new ATOM 146 N GLY A 11 7.770 9.532 -0.626 1.00 0.00 N ATOM 147 CA GLY A 11 8.408 9.808 0.668 1.00 0.00 C ATOM 148 C GLY A 11 8.814 8.586 1.498 1.00 0.00 C ATOM 149 O GLY A 11 9.351 8.765 2.586 1.00 0.00 O ATOM 0 H GLY A 11 7.382 8.590 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.298 10.411 0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.726 10.415 1.263 1.00 0.00 H new ATOM 153 N MET A 12 8.572 7.343 1.045 1.00 0.00 N ATOM 154 CA MET A 12 8.963 6.169 1.848 1.00 0.00 C ATOM 155 C MET A 12 10.489 6.020 1.887 1.00 0.00 C ATOM 156 O MET A 12 11.145 6.176 0.866 1.00 0.00 O ATOM 157 CB MET A 12 8.248 4.887 1.380 1.00 0.00 C ATOM 158 CG MET A 12 8.888 4.151 0.201 1.00 0.00 C ATOM 159 SD MET A 12 7.747 3.004 -0.605 1.00 0.00 S ATOM 160 CE MET A 12 8.548 1.412 -0.315 1.00 0.00 C ATOM 0 H MET A 12 8.122 7.127 0.155 1.00 0.00 H new ATOM 0 HA MET A 12 8.632 6.335 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.190 4.199 2.223 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.224 5.145 1.109 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.241 4.880 -0.529 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.762 3.602 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.949 0.617 -0.760 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.540 1.416 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.639 1.240 0.758 1.00 0.00 H new ATOM 170 N HIS A 13 11.050 5.637 3.036 1.00 0.00 N ATOM 171 CA HIS A 13 12.493 5.461 3.313 1.00 0.00 C ATOM 172 C HIS A 13 13.241 4.427 2.424 1.00 0.00 C ATOM 173 O HIS A 13 14.336 3.989 2.781 1.00 0.00 O ATOM 174 CB HIS A 13 12.683 5.067 4.790 1.00 0.00 C ATOM 175 CG HIS A 13 12.105 5.967 5.860 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.110 5.689 7.209 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.462 7.169 5.708 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.485 6.689 7.851 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.074 7.608 6.975 1.00 0.00 N ATOM 0 H HIS A 13 10.480 5.426 3.855 1.00 0.00 H new ATOM 0 HA HIS A 13 12.939 6.426 3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.254 4.074 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.754 4.979 4.974 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.519 4.863 7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.287 7.684 4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.337 6.742 8.919 1.00 0.00 H new ATOM 187 N CYS A 14 12.632 3.951 1.332 1.00 0.00 N ATOM 188 CA CYS A 14 13.220 3.181 0.221 1.00 0.00 C ATOM 189 C CYS A 14 13.577 1.729 0.535 1.00 0.00 C ATOM 190 O CYS A 14 13.348 0.874 -0.311 1.00 0.00 O ATOM 191 CB CYS A 14 14.436 3.930 -0.353 1.00 0.00 C ATOM 192 SG CYS A 14 13.842 5.219 -1.482 1.00 0.00 S ATOM 0 H CYS A 14 11.634 4.105 1.187 1.00 0.00 H new ATOM 0 HA CYS A 14 12.427 3.107 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.022 4.373 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.092 3.238 -0.881 1.00 0.00 H new ATOM 0 HG CYS A 14 14.857 5.865 -1.976 1.00 0.00 H new ATOM 198 N LYS A 15 14.167 1.443 1.695 1.00 0.00 N ATOM 199 CA LYS A 15 14.461 0.091 2.179 1.00 0.00 C ATOM 200 C LYS A 15 13.526 -0.238 3.352 1.00 0.00 C ATOM 201 O LYS A 15 12.421 -0.698 3.099 1.00 0.00 O ATOM 202 CB LYS A 15 15.971 -0.039 2.462 1.00 0.00 C ATOM 203 CG LYS A 15 16.764 -0.650 1.287 1.00 0.00 C ATOM 204 CD LYS A 15 16.704 0.140 -0.035 1.00 0.00 C ATOM 205 CE LYS A 15 15.841 -0.552 -1.104 1.00 0.00 C ATOM 206 NZ LYS A 15 15.455 0.362 -2.208 1.00 0.00 N ATOM 0 H LYS A 15 14.464 2.169 2.347 1.00 0.00 H new ATOM 0 HA LYS A 15 14.254 -0.670 1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.376 0.947 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.115 -0.657 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.808 -0.745 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.391 -1.658 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.304 1.135 0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.715 0.272 -0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.389 -1.400 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.941 -0.951 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.904 -0.163 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.879 1.141 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.311 0.750 -2.653 1.00 0.00 H new ATOM 220 N SER A 16 13.858 0.044 4.613 1.00 0.00 N ATOM 221 CA SER A 16 13.056 -0.390 5.781 1.00 0.00 C ATOM 222 C SER A 16 11.577 0.035 5.767 1.00 0.00 C ATOM 223 O SER A 16 10.758 -0.672 6.352 1.00 0.00 O ATOM 224 CB SER A 16 13.726 0.087 7.079 1.00 0.00 C ATOM 225 OG SER A 16 14.141 1.442 6.974 1.00 0.00 O ATOM 0 H SER A 16 14.689 0.579 4.864 1.00 0.00 H new ATOM 0 HA SER A 16 13.036 -1.478 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.030 -0.020 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.587 -0.544 7.300 1.00 0.00 H new ATOM 0 HG SER A 16 14.562 1.721 7.814 1.00 0.00 H new ATOM 231 N CYS A 17 11.186 1.092 5.034 1.00 0.00 N ATOM 232 CA CYS A 17 9.787 1.411 4.807 1.00 0.00 C ATOM 233 C CYS A 17 9.023 0.261 4.141 1.00 0.00 C ATOM 234 O CYS A 17 7.946 -0.054 4.622 1.00 0.00 O ATOM 235 CB CYS A 17 9.726 2.732 4.031 1.00 0.00 C ATOM 236 SG CYS A 17 9.459 4.053 5.248 1.00 0.00 S ATOM 0 H CYS A 17 11.836 1.740 4.589 1.00 0.00 H new ATOM 0 HA CYS A 17 9.272 1.542 5.758 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.651 2.898 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.918 2.712 3.300 1.00 0.00 H new ATOM 0 HG CYS A 17 8.463 3.736 6.021 1.00 0.00 H new ATOM 242 N VAL A 18 9.602 -0.402 3.136 1.00 0.00 N ATOM 243 CA VAL A 18 9.021 -1.529 2.397 1.00 0.00 C ATOM 244 C VAL A 18 8.415 -2.551 3.355 1.00 0.00 C ATOM 245 O VAL A 18 7.223 -2.826 3.282 1.00 0.00 O ATOM 246 CB VAL A 18 10.122 -2.210 1.530 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.733 -3.591 0.986 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.631 -1.265 0.426 1.00 0.00 C ATOM 0 H VAL A 18 10.533 -0.157 2.799 1.00 0.00 H new ATOM 0 HA VAL A 18 8.229 -1.149 1.752 1.00 0.00 H new ATOM 0 HB VAL A 18 10.952 -2.409 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.555 -3.994 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.521 -4.263 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.846 -3.499 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.398 -1.771 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.802 -0.986 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.054 -0.369 0.880 1.00 0.00 H new ATOM 258 N SER A 19 9.218 -3.025 4.308 1.00 0.00 N ATOM 259 CA SER A 19 8.811 -4.067 5.256 1.00 0.00 C ATOM 260 C SER A 19 7.603 -3.630 6.090 1.00 0.00 C ATOM 261 O SER A 19 6.692 -4.421 6.328 1.00 0.00 O ATOM 262 CB SER A 19 10.005 -4.331 6.183 1.00 0.00 C ATOM 263 OG SER A 19 9.806 -5.473 6.992 1.00 0.00 O ATOM 0 H SER A 19 10.174 -2.697 4.446 1.00 0.00 H new ATOM 0 HA SER A 19 8.520 -4.964 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.906 -4.464 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.170 -3.461 6.819 1.00 0.00 H new ATOM 0 HG SER A 19 10.589 -5.608 7.566 1.00 0.00 H new ATOM 269 N ASN A 20 7.547 -2.352 6.482 1.00 0.00 N ATOM 270 CA ASN A 20 6.383 -1.802 7.170 1.00 0.00 C ATOM 271 C ASN A 20 5.146 -1.776 6.285 1.00 0.00 C ATOM 272 O ASN A 20 4.067 -2.067 6.785 1.00 0.00 O ATOM 273 CB ASN A 20 6.635 -0.366 7.603 1.00 0.00 C ATOM 274 CG ASN A 20 7.815 -0.218 8.537 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.072 -1.006 9.432 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.600 0.805 8.288 1.00 0.00 N ATOM 0 H ASN A 20 8.300 -1.680 6.332 1.00 0.00 H new ATOM 0 HA ASN A 20 6.216 -2.454 8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.802 0.248 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.742 0.019 8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.441 0.951 8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.369 1.454 7.535 1.00 0.00 H new ATOM 283 N ILE A 21 5.265 -1.381 5.011 1.00 0.00 N ATOM 284 CA ILE A 21 4.097 -1.241 4.125 1.00 0.00 C ATOM 285 C ILE A 21 3.534 -2.618 3.779 1.00 0.00 C ATOM 286 O ILE A 21 2.330 -2.819 3.913 1.00 0.00 O ATOM 287 CB ILE A 21 4.379 -0.407 2.849 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.535 0.617 3.008 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.039 0.204 2.392 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.514 1.785 2.013 1.00 0.00 C ATOM 0 H ILE A 21 6.156 -1.153 4.569 1.00 0.00 H new ATOM 0 HA ILE A 21 3.348 -0.675 4.678 1.00 0.00 H new ATOM 0 HB ILE A 21 4.763 -1.055 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.504 1.022 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.483 0.089 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.198 0.800 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.330 -0.595 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.640 0.840 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.361 2.443 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.580 1.398 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.586 2.345 2.128 1.00 0.00 H new ATOM 302 N GLU A 22 4.415 -3.565 3.450 1.00 0.00 N ATOM 303 CA GLU A 22 4.087 -4.979 3.296 1.00 0.00 C ATOM 304 C GLU A 22 3.361 -5.501 4.551 1.00 0.00 C ATOM 305 O GLU A 22 2.223 -5.951 4.464 1.00 0.00 O ATOM 306 CB GLU A 22 5.375 -5.764 2.968 1.00 0.00 C ATOM 307 CG GLU A 22 5.917 -5.412 1.570 1.00 0.00 C ATOM 308 CD GLU A 22 6.648 -6.560 0.872 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.588 -7.096 1.495 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.273 -6.853 -0.289 1.00 0.00 O ATOM 0 H GLU A 22 5.400 -3.362 3.280 1.00 0.00 H new ATOM 0 HA GLU A 22 3.396 -5.122 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.135 -5.546 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.173 -6.834 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.087 -5.090 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.597 -4.565 1.659 1.00 0.00 H new ATOM 317 N SER A 23 3.953 -5.357 5.738 1.00 0.00 N ATOM 318 CA SER A 23 3.349 -5.834 6.995 1.00 0.00 C ATOM 319 C SER A 23 2.030 -5.143 7.394 1.00 0.00 C ATOM 320 O SER A 23 1.047 -5.811 7.718 1.00 0.00 O ATOM 321 CB SER A 23 4.393 -5.670 8.111 1.00 0.00 C ATOM 322 OG SER A 23 3.937 -6.193 9.345 1.00 0.00 O ATOM 0 H SER A 23 4.861 -4.909 5.861 1.00 0.00 H new ATOM 0 HA SER A 23 3.072 -6.877 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.315 -6.175 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.632 -4.613 8.231 1.00 0.00 H new ATOM 0 HG SER A 23 4.629 -6.071 10.028 1.00 0.00 H new ATOM 328 N THR A 24 2.004 -3.807 7.378 1.00 0.00 N ATOM 329 CA THR A 24 0.897 -2.978 7.884 1.00 0.00 C ATOM 330 C THR A 24 -0.326 -3.096 6.995 1.00 0.00 C ATOM 331 O THR A 24 -1.445 -3.111 7.503 1.00 0.00 O ATOM 332 CB THR A 24 1.327 -1.512 8.070 1.00 0.00 C ATOM 333 OG1 THR A 24 2.425 -1.506 8.946 1.00 0.00 O ATOM 334 CG2 THR A 24 0.235 -0.653 8.708 1.00 0.00 C ATOM 0 H THR A 24 2.773 -3.253 7.002 1.00 0.00 H new ATOM 0 HA THR A 24 0.624 -3.357 8.869 1.00 0.00 H new ATOM 0 HB THR A 24 1.553 -1.099 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.243 -1.709 8.446 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.593 0.371 8.815 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.652 -0.663 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.016 -1.054 9.690 1.00 0.00 H new ATOM 342 N LEU A 25 -0.135 -3.211 5.677 1.00 0.00 N ATOM 343 CA LEU A 25 -1.227 -3.568 4.787 1.00 0.00 C ATOM 344 C LEU A 25 -1.609 -5.037 4.923 1.00 0.00 C ATOM 345 O LEU A 25 -2.795 -5.300 5.062 1.00 0.00 O ATOM 346 CB LEU A 25 -0.893 -3.222 3.341 1.00 0.00 C ATOM 347 CG LEU A 25 -0.724 -1.718 3.043 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.958 -1.528 1.548 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.702 -0.778 3.755 1.00 0.00 C ATOM 0 H LEU A 25 0.761 -3.062 5.212 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.093 -2.977 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.028 -3.735 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.681 -3.616 2.699 1.00 0.00 H new ATOM 0 HG LEU A 25 0.272 -1.456 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.848 -0.474 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.230 -2.115 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.964 -1.859 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.489 0.252 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.723 -1.030 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.591 -0.887 4.834 1.00 0.00 H new ATOM 361 N SER A 26 -0.680 -6.001 4.911 1.00 0.00 N ATOM 362 CA SER A 26 -1.006 -7.446 4.850 1.00 0.00 C ATOM 363 C SER A 26 -1.742 -8.010 6.088 1.00 0.00 C ATOM 364 O SER A 26 -1.947 -9.221 6.201 1.00 0.00 O ATOM 365 CB SER A 26 0.264 -8.259 4.562 1.00 0.00 C ATOM 366 OG SER A 26 -0.041 -9.623 4.341 1.00 0.00 O ATOM 0 H SER A 26 0.321 -5.809 4.943 1.00 0.00 H new ATOM 0 HA SER A 26 -1.720 -7.547 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.770 -7.850 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.954 -8.169 5.401 1.00 0.00 H new ATOM 0 HG SER A 26 -0.846 -9.864 4.845 1.00 0.00 H new ATOM 372 N ALA A 27 -2.151 -7.138 7.008 1.00 0.00 N ATOM 373 CA ALA A 27 -2.929 -7.432 8.207 1.00 0.00 C ATOM 374 C ALA A 27 -4.378 -6.914 8.103 1.00 0.00 C ATOM 375 O ALA A 27 -5.166 -7.106 9.032 1.00 0.00 O ATOM 376 CB ALA A 27 -2.190 -6.787 9.389 1.00 0.00 C ATOM 0 H ALA A 27 -1.933 -6.145 6.929 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.013 -8.510 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.738 -6.982 10.311 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.188 -7.210 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.119 -5.711 9.230 1.00 0.00 H new ATOM 382 N LEU A 28 -4.748 -6.220 7.015 1.00 0.00 N ATOM 383 CA LEU A 28 -6.039 -5.546 6.916 1.00 0.00 C ATOM 384 C LEU A 28 -7.174 -6.558 6.740 1.00 0.00 C ATOM 385 O LEU A 28 -7.069 -7.489 5.938 1.00 0.00 O ATOM 386 CB LEU A 28 -6.017 -4.521 5.773 1.00 0.00 C ATOM 387 CG LEU A 28 -5.094 -3.318 6.032 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.823 -2.553 4.735 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.732 -2.346 7.023 1.00 0.00 C ATOM 0 H LEU A 28 -4.161 -6.114 6.188 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.224 -5.010 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.699 -5.020 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.031 -4.159 5.604 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.162 -3.711 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.168 -1.706 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.343 -3.216 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.765 -2.191 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.061 -1.504 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.677 -1.982 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.915 -2.857 7.968 1.00 0.00 H new ATOM 401 N GLN A 29 -8.280 -6.343 7.460 1.00 0.00 N ATOM 402 CA GLN A 29 -9.437 -7.242 7.545 1.00 0.00 C ATOM 403 C GLN A 29 -10.296 -7.167 6.273 1.00 0.00 C ATOM 404 O GLN A 29 -11.433 -6.709 6.277 1.00 0.00 O ATOM 405 CB GLN A 29 -10.207 -6.946 8.844 1.00 0.00 C ATOM 406 CG GLN A 29 -11.234 -8.043 9.178 1.00 0.00 C ATOM 407 CD GLN A 29 -11.836 -7.859 10.568 1.00 0.00 C ATOM 408 OE1 GLN A 29 -13.025 -7.677 10.751 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.044 -7.893 11.619 1.00 0.00 N ATOM 0 H GLN A 29 -8.399 -5.501 8.024 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.107 -8.280 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.501 -6.850 9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.719 -5.989 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.030 -8.033 8.434 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.754 -9.020 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.042 -8.044 11.498 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.432 -7.769 12.554 1.00 0.00 H new ATOM 418 N TYR A 30 -9.685 -7.615 5.181 1.00 0.00 N ATOM 419 CA TYR A 30 -10.117 -7.587 3.786 1.00 0.00 C ATOM 420 C TYR A 30 -8.993 -7.925 2.804 1.00 0.00 C ATOM 421 O TYR A 30 -9.312 -8.380 1.711 1.00 0.00 O ATOM 422 CB TYR A 30 -10.767 -6.255 3.363 1.00 0.00 C ATOM 423 CG TYR A 30 -10.127 -4.940 3.805 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.836 -4.552 3.382 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.890 -4.037 4.575 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.364 -3.258 3.652 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.404 -2.751 4.879 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.144 -2.348 4.396 1.00 0.00 C ATOM 429 OH TYR A 30 -8.691 -1.091 4.658 1.00 0.00 O ATOM 0 H TYR A 30 -8.770 -8.058 5.261 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.877 -8.367 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.817 -6.246 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.794 -6.260 3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.211 -5.253 2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.862 -4.337 4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.394 -2.956 3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.995 -2.076 5.480 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.361 -0.604 5.181 1.00 0.00 H new ATOM 439 N VAL A 31 -7.706 -7.703 3.117 1.00 0.00 N ATOM 440 CA VAL A 31 -6.630 -7.930 2.138 1.00 0.00 C ATOM 441 C VAL A 31 -6.188 -9.392 2.170 1.00 0.00 C ATOM 442 O VAL A 31 -6.164 -10.009 3.231 1.00 0.00 O ATOM 443 CB VAL A 31 -5.456 -6.932 2.234 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.539 -7.199 3.388 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.577 -6.907 0.969 1.00 0.00 C ATOM 0 H VAL A 31 -7.388 -7.371 4.027 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.050 -7.724 1.153 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.957 -5.973 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.738 -6.460 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.099 -7.134 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.112 -8.197 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.770 -6.186 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.154 -7.897 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.184 -6.620 0.110 1.00 0.00 H new ATOM 455 N SER A 32 -5.871 -9.950 1.006 1.00 0.00 N ATOM 456 CA SER A 32 -5.465 -11.355 0.881 1.00 0.00 C ATOM 457 C SER A 32 -3.978 -11.523 0.528 1.00 0.00 C ATOM 458 O SER A 32 -3.385 -12.572 0.772 1.00 0.00 O ATOM 459 CB SER A 32 -6.342 -12.008 -0.192 1.00 0.00 C ATOM 460 OG SER A 32 -6.630 -13.333 0.203 1.00 0.00 O ATOM 0 H SER A 32 -5.887 -9.445 0.120 1.00 0.00 H new ATOM 0 HA SER A 32 -5.600 -11.838 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.265 -11.443 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.829 -12.003 -1.154 1.00 0.00 H new ATOM 0 HG SER A 32 -7.193 -13.762 -0.475 1.00 0.00 H new ATOM 466 N SER A 33 -3.360 -10.489 -0.047 1.00 0.00 N ATOM 467 CA SER A 33 -1.994 -10.487 -0.579 1.00 0.00 C ATOM 468 C SER A 33 -1.517 -9.078 -0.959 1.00 0.00 C ATOM 469 O SER A 33 -2.267 -8.100 -0.968 1.00 0.00 O ATOM 470 CB SER A 33 -1.887 -11.449 -1.771 1.00 0.00 C ATOM 471 OG SER A 33 -1.715 -12.773 -1.307 1.00 0.00 O ATOM 0 H SER A 33 -3.820 -9.586 -0.160 1.00 0.00 H new ATOM 0 HA SER A 33 -1.332 -10.835 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.786 -11.383 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.047 -11.165 -2.405 1.00 0.00 H new ATOM 0 HG SER A 33 -2.122 -12.864 -0.420 1.00 0.00 H new ATOM 477 N ILE A 34 -0.239 -8.981 -1.290 1.00 0.00 N ATOM 478 CA ILE A 34 0.549 -7.759 -1.486 1.00 0.00 C ATOM 479 C ILE A 34 1.959 -8.127 -1.952 1.00 0.00 C ATOM 480 O ILE A 34 2.422 -9.226 -1.660 1.00 0.00 O ATOM 481 CB ILE A 34 0.593 -6.917 -0.179 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.342 -5.579 -0.375 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.215 -7.697 0.998 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.048 -4.562 0.728 1.00 0.00 C ATOM 0 H ILE A 34 0.325 -9.817 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 34 0.075 -7.148 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.446 -6.698 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.414 -5.771 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.065 -5.152 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.224 -7.067 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.625 -8.593 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.236 -7.983 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.603 -3.644 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.020 -4.344 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.351 -4.972 1.691 1.00 0.00 H new ATOM 496 N VAL A 35 2.597 -7.204 -2.668 1.00 0.00 N ATOM 497 CA VAL A 35 4.025 -7.166 -3.013 1.00 0.00 C ATOM 498 C VAL A 35 4.449 -5.707 -3.071 1.00 0.00 C ATOM 499 O VAL A 35 3.802 -4.902 -3.740 1.00 0.00 O ATOM 500 CB VAL A 35 4.332 -7.807 -4.385 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.718 -7.443 -4.962 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.303 -9.331 -4.245 1.00 0.00 C ATOM 0 H VAL A 35 2.097 -6.402 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 35 4.566 -7.734 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 35 3.571 -7.421 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.851 -7.935 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.785 -6.363 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.497 -7.774 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.519 -9.789 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.053 -9.644 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.316 -9.647 -3.906 1.00 0.00 H new ATOM 512 N VAL A 36 5.565 -5.380 -2.437 1.00 0.00 N ATOM 513 CA VAL A 36 6.224 -4.071 -2.590 1.00 0.00 C ATOM 514 C VAL A 36 7.442 -4.181 -3.496 1.00 0.00 C ATOM 515 O VAL A 36 8.205 -5.146 -3.433 1.00 0.00 O ATOM 516 CB VAL A 36 6.626 -3.467 -1.230 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.634 -2.318 -1.308 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.416 -2.842 -0.539 1.00 0.00 C ATOM 0 H VAL A 36 6.049 -6.010 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 36 5.500 -3.400 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 36 7.061 -4.314 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.855 -1.959 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.552 -2.671 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.214 -1.505 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.721 -2.421 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.006 -2.052 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.656 -3.606 -0.374 1.00 0.00 H new ATOM 528 N SER A 37 7.662 -3.156 -4.326 1.00 0.00 N ATOM 529 CA SER A 37 8.945 -3.052 -5.008 1.00 0.00 C ATOM 530 C SER A 37 10.014 -2.619 -4.002 1.00 0.00 C ATOM 531 O SER A 37 10.092 -1.477 -3.567 1.00 0.00 O ATOM 532 CB SER A 37 8.957 -2.060 -6.165 1.00 0.00 C ATOM 533 OG SER A 37 10.117 -2.252 -6.968 1.00 0.00 O ATOM 0 H SER A 37 6.993 -2.415 -4.534 1.00 0.00 H new ATOM 0 HA SER A 37 9.144 -4.038 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.061 -2.188 -6.772 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.938 -1.041 -5.779 1.00 0.00 H new ATOM 0 HG SER A 37 9.918 -2.005 -7.895 1.00 0.00 H new ATOM 539 N LEU A 38 10.893 -3.544 -3.664 1.00 0.00 N ATOM 540 CA LEU A 38 12.111 -3.243 -2.911 1.00 0.00 C ATOM 541 C LEU A 38 13.001 -2.218 -3.634 1.00 0.00 C ATOM 542 O LEU A 38 13.864 -1.626 -2.994 1.00 0.00 O ATOM 543 CB LEU A 38 12.914 -4.529 -2.648 1.00 0.00 C ATOM 544 CG LEU A 38 13.144 -4.823 -1.152 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.810 -6.196 -0.995 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.019 -3.761 -0.462 1.00 0.00 C ATOM 0 H LEU A 38 10.788 -4.530 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 38 11.799 -2.806 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.390 -5.372 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.880 -4.451 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 38 12.166 -4.806 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.972 -6.403 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.164 -6.964 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.767 -6.198 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.146 -4.021 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.994 -3.722 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.537 -2.786 -0.539 1.00 0.00 H new ATOM 558 N GLU A 39 12.850 -2.025 -4.945 1.00 0.00 N ATOM 559 CA GLU A 39 13.577 -1.010 -5.711 1.00 0.00 C ATOM 560 C GLU A 39 12.811 0.323 -5.802 1.00 0.00 C ATOM 561 O GLU A 39 13.395 1.387 -5.597 1.00 0.00 O ATOM 562 CB GLU A 39 13.886 -1.547 -7.118 1.00 0.00 C ATOM 563 CG GLU A 39 14.867 -2.727 -7.080 1.00 0.00 C ATOM 564 CD GLU A 39 15.114 -3.272 -8.483 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.194 -3.952 -8.989 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.202 -2.989 -9.026 1.00 0.00 O ATOM 0 H GLU A 39 12.209 -2.578 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 39 14.507 -0.803 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.959 -1.861 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.305 -0.747 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.811 -2.407 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.468 -3.517 -6.443 1.00 0.00 H new ATOM 573 N ASN A 40 11.509 0.272 -6.099 1.00 0.00 N ATOM 574 CA ASN A 40 10.671 1.442 -6.410 1.00 0.00 C ATOM 575 C ASN A 40 9.840 1.895 -5.205 1.00 0.00 C ATOM 576 O ASN A 40 9.520 1.117 -4.316 1.00 0.00 O ATOM 577 CB ASN A 40 9.754 1.142 -7.608 1.00 0.00 C ATOM 578 CG ASN A 40 10.532 1.335 -8.889 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.438 2.365 -9.539 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.388 0.392 -9.217 1.00 0.00 N ATOM 0 H ASN A 40 10.992 -0.606 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 40 11.343 2.261 -6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.378 0.121 -7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.887 1.802 -7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.992 0.512 -10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.448 -0.459 -8.658 1.00 0.00 H new ATOM 587 N ARG A 41 9.400 3.156 -5.172 1.00 0.00 N ATOM 588 CA ARG A 41 8.634 3.685 -4.029 1.00 0.00 C ATOM 589 C ARG A 41 7.143 3.270 -4.026 1.00 0.00 C ATOM 590 O ARG A 41 6.274 4.068 -3.681 1.00 0.00 O ATOM 591 CB ARG A 41 8.833 5.204 -3.892 1.00 0.00 C ATOM 592 CG ARG A 41 10.282 5.650 -3.746 1.00 0.00 C ATOM 593 CD ARG A 41 10.801 6.212 -5.055 1.00 0.00 C ATOM 594 NE ARG A 41 10.480 7.644 -5.226 1.00 0.00 N ATOM 595 CZ ARG A 41 10.956 8.446 -6.170 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.802 8.014 -7.082 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.577 9.701 -6.214 1.00 0.00 N ATOM 0 H ARG A 41 9.558 3.832 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 41 9.044 3.214 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.404 5.692 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.272 5.553 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.359 6.405 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.899 4.806 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.882 6.078 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.374 5.646 -5.883 1.00 0.00 H new ATOM 0 HE ARG A 41 9.831 8.055 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.107 7.041 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.152 8.653 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.917 10.059 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.942 10.319 -6.939 1.00 0.00 H new ATOM 611 N SER A 42 6.797 2.064 -4.477 1.00 0.00 N ATOM 612 CA SER A 42 5.414 1.633 -4.714 1.00 0.00 C ATOM 613 C SER A 42 5.096 0.185 -4.311 1.00 0.00 C ATOM 614 O SER A 42 5.952 -0.701 -4.315 1.00 0.00 O ATOM 615 CB SER A 42 5.019 1.837 -6.184 1.00 0.00 C ATOM 616 OG SER A 42 6.017 1.440 -7.108 1.00 0.00 O ATOM 0 H SER A 42 7.484 1.342 -4.693 1.00 0.00 H new ATOM 0 HA SER A 42 4.824 2.270 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.107 1.275 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.787 2.890 -6.345 1.00 0.00 H new ATOM 0 HG SER A 42 5.698 1.596 -8.021 1.00 0.00 H new ATOM 622 N ALA A 43 3.812 -0.046 -4.019 1.00 0.00 N ATOM 623 CA ALA A 43 3.220 -1.306 -3.577 1.00 0.00 C ATOM 624 C ALA A 43 2.105 -1.725 -4.540 1.00 0.00 C ATOM 625 O ALA A 43 1.307 -0.888 -4.964 1.00 0.00 O ATOM 626 CB ALA A 43 2.642 -1.084 -2.167 1.00 0.00 C ATOM 0 H ALA A 43 3.114 0.695 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 43 3.971 -2.095 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.192 -2.010 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.441 -0.783 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.884 -0.302 -2.204 1.00 0.00 H new ATOM 632 N ILE A 44 2.026 -3.016 -4.856 1.00 0.00 N ATOM 633 CA ILE A 44 0.918 -3.655 -5.574 1.00 0.00 C ATOM 634 C ILE A 44 0.215 -4.540 -4.541 1.00 0.00 C ATOM 635 O ILE A 44 0.840 -5.423 -3.953 1.00 0.00 O ATOM 636 CB ILE A 44 1.449 -4.438 -6.792 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.122 -3.463 -7.790 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.294 -5.202 -7.468 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.882 -4.157 -8.927 1.00 0.00 C ATOM 0 H ILE A 44 2.763 -3.677 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 44 0.210 -2.937 -5.988 1.00 0.00 H new ATOM 0 HB ILE A 44 2.193 -5.162 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.358 -2.816 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.813 -2.821 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.676 -5.753 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.146 -5.900 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.466 -4.494 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.324 -3.405 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.671 -4.783 -8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.193 -4.777 -9.500 1.00 0.00 H new ATOM 651 N VAL A 45 -1.056 -4.251 -4.273 1.00 0.00 N ATOM 652 CA VAL A 45 -1.822 -4.794 -3.140 1.00 0.00 C ATOM 653 C VAL A 45 -3.059 -5.534 -3.648 1.00 0.00 C ATOM 654 O VAL A 45 -3.720 -5.031 -4.555 1.00 0.00 O ATOM 655 CB VAL A 45 -2.256 -3.652 -2.199 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.832 -4.220 -0.890 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.111 -2.682 -1.850 1.00 0.00 C ATOM 0 H VAL A 45 -1.603 -3.614 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.187 -5.490 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.015 -3.091 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.133 -3.399 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.699 -4.842 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.073 -4.821 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.484 -1.903 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.309 -3.229 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.729 -2.227 -2.764 1.00 0.00 H new ATOM 667 N VAL A 46 -3.371 -6.693 -3.057 1.00 0.00 N ATOM 668 CA VAL A 46 -4.357 -7.664 -3.559 1.00 0.00 C ATOM 669 C VAL A 46 -5.404 -7.962 -2.467 1.00 0.00 C ATOM 670 O VAL A 46 -5.163 -8.723 -1.531 1.00 0.00 O ATOM 671 CB VAL A 46 -3.612 -8.952 -3.995 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.528 -10.007 -4.621 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.417 -8.685 -4.937 1.00 0.00 C ATOM 0 H VAL A 46 -2.931 -6.993 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.885 -7.255 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.224 -9.352 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.939 -10.880 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.291 -10.301 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.007 -9.593 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.943 -9.631 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.770 -8.191 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.693 -8.045 -4.433 1.00 0.00 H new ATOM 683 N TYR A 47 -6.570 -7.319 -2.559 1.00 0.00 N ATOM 684 CA TYR A 47 -7.607 -7.277 -1.518 1.00 0.00 C ATOM 685 C TYR A 47 -8.941 -7.898 -1.956 1.00 0.00 C ATOM 686 O TYR A 47 -9.367 -7.752 -3.095 1.00 0.00 O ATOM 687 CB TYR A 47 -7.796 -5.829 -1.034 1.00 0.00 C ATOM 688 CG TYR A 47 -8.387 -4.878 -2.064 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.591 -4.424 -3.134 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.723 -4.442 -1.962 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.111 -3.533 -4.086 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.257 -3.562 -2.926 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.445 -3.088 -3.980 1.00 0.00 C ATOM 694 OH TYR A 47 -9.956 -2.250 -4.923 1.00 0.00 O ATOM 0 H TYR A 47 -6.831 -6.792 -3.392 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.258 -7.896 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.442 -5.837 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.829 -5.440 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.570 -4.765 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.340 -4.783 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.490 -3.188 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.289 -3.250 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.888 -2.040 -4.703 1.00 0.00 H new ATOM 704 N ASN A 48 -9.639 -8.587 -1.055 1.00 0.00 N ATOM 705 CA ASN A 48 -10.802 -9.411 -1.398 1.00 0.00 C ATOM 706 C ASN A 48 -12.111 -8.616 -1.284 1.00 0.00 C ATOM 707 O ASN A 48 -12.707 -8.535 -0.208 1.00 0.00 O ATOM 708 CB ASN A 48 -10.795 -10.673 -0.514 1.00 0.00 C ATOM 709 CG ASN A 48 -11.930 -11.640 -0.847 1.00 0.00 C ATOM 710 OD1 ASN A 48 -11.740 -12.624 -1.542 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.139 -11.387 -0.374 1.00 0.00 N ATOM 0 H ASN A 48 -9.414 -8.591 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.738 -9.719 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.841 -11.187 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.872 -10.378 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.913 -12.015 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.297 -10.564 0.207 1.00 0.00 H new ATOM 780 N PRO A 54 -10.223 1.352 -3.779 1.00 0.00 N ATOM 781 CA PRO A 54 -8.773 1.269 -3.584 1.00 0.00 C ATOM 782 C PRO A 54 -8.247 2.411 -2.707 1.00 0.00 C ATOM 783 O PRO A 54 -7.203 2.260 -2.084 1.00 0.00 O ATOM 784 CB PRO A 54 -8.169 1.300 -4.993 1.00 0.00 C ATOM 785 CG PRO A 54 -9.203 2.067 -5.810 1.00 0.00 C ATOM 786 CD PRO A 54 -10.520 1.616 -5.183 1.00 0.00 C ATOM 0 HA PRO A 54 -8.494 0.359 -3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.200 1.799 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.014 0.295 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.064 3.145 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.151 1.816 -6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.284 2.387 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.902 0.722 -5.676 1.00 0.00 H new ATOM 794 N GLU A 55 -8.991 3.517 -2.584 1.00 0.00 N ATOM 795 CA GLU A 55 -8.666 4.631 -1.692 1.00 0.00 C ATOM 796 C GLU A 55 -8.606 4.205 -0.206 1.00 0.00 C ATOM 797 O GLU A 55 -7.987 4.890 0.603 1.00 0.00 O ATOM 798 CB GLU A 55 -9.682 5.763 -1.957 1.00 0.00 C ATOM 799 CG GLU A 55 -9.054 7.112 -2.338 1.00 0.00 C ATOM 800 CD GLU A 55 -8.779 8.014 -1.144 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.650 8.130 -0.260 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.716 8.672 -1.118 1.00 0.00 O ATOM 0 H GLU A 55 -9.851 3.663 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.661 4.993 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.353 5.451 -2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.293 5.901 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.120 6.931 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.718 7.630 -3.029 1.00 0.00 H new ATOM 809 N SER A 56 -9.166 3.042 0.160 1.00 0.00 N ATOM 810 CA SER A 56 -9.013 2.444 1.498 1.00 0.00 C ATOM 811 C SER A 56 -7.577 1.966 1.777 1.00 0.00 C ATOM 812 O SER A 56 -7.009 2.271 2.828 1.00 0.00 O ATOM 813 CB SER A 56 -9.991 1.265 1.669 1.00 0.00 C ATOM 814 OG SER A 56 -9.774 0.237 0.714 1.00 0.00 O ATOM 0 H SER A 56 -9.743 2.484 -0.469 1.00 0.00 H new ATOM 0 HA SER A 56 -9.241 3.229 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.886 0.853 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.014 1.630 1.580 1.00 0.00 H new ATOM 0 HG SER A 56 -10.416 -0.489 0.863 1.00 0.00 H new ATOM 820 N LEU A 57 -6.964 1.243 0.833 1.00 0.00 N ATOM 821 CA LEU A 57 -5.574 0.796 0.947 1.00 0.00 C ATOM 822 C LEU A 57 -4.619 1.999 0.911 1.00 0.00 C ATOM 823 O LEU A 57 -3.723 2.077 1.747 1.00 0.00 O ATOM 824 CB LEU A 57 -5.240 -0.198 -0.173 1.00 0.00 C ATOM 825 CG LEU A 57 -6.103 -1.475 -0.293 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.591 -2.257 -1.506 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.058 -2.389 0.936 1.00 0.00 C ATOM 0 H LEU A 57 -7.420 0.952 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.448 0.289 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.300 0.336 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.202 -0.507 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.141 -1.158 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.177 -3.169 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.688 -1.644 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.543 -2.516 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.691 -3.260 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.032 -2.715 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.418 -1.844 1.808 1.00 0.00 H new ATOM 839 N ARG A 58 -4.855 2.970 0.016 1.00 0.00 N ATOM 840 CA ARG A 58 -4.151 4.260 -0.041 1.00 0.00 C ATOM 841 C ARG A 58 -4.066 4.925 1.342 1.00 0.00 C ATOM 842 O ARG A 58 -2.979 5.259 1.811 1.00 0.00 O ATOM 843 CB ARG A 58 -4.878 5.142 -1.070 1.00 0.00 C ATOM 844 CG ARG A 58 -4.154 6.443 -1.432 1.00 0.00 C ATOM 845 CD ARG A 58 -4.539 7.593 -0.496 1.00 0.00 C ATOM 846 NE ARG A 58 -3.839 8.851 -0.781 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.323 9.976 -1.279 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.485 10.064 -1.889 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.606 11.063 -1.111 1.00 0.00 N ATOM 0 H ARG A 58 -5.564 2.876 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.117 4.111 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.030 4.562 -1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.866 5.389 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.077 6.283 -1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.392 6.717 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.613 7.762 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.330 7.297 0.532 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.842 8.858 -0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.067 9.234 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.804 10.962 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.717 11.016 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.938 11.955 -1.478 1.00 0.00 H new ATOM 863 N LYS A 59 -5.204 5.073 2.025 1.00 0.00 N ATOM 864 CA LYS A 59 -5.281 5.614 3.387 1.00 0.00 C ATOM 865 C LYS A 59 -4.596 4.740 4.448 1.00 0.00 C ATOM 866 O LYS A 59 -3.997 5.290 5.368 1.00 0.00 O ATOM 867 CB LYS A 59 -6.765 5.885 3.712 1.00 0.00 C ATOM 868 CG LYS A 59 -7.186 7.349 3.491 1.00 0.00 C ATOM 869 CD LYS A 59 -6.789 7.918 2.122 1.00 0.00 C ATOM 870 CE LYS A 59 -7.080 9.414 1.978 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.485 9.655 1.584 1.00 0.00 N ATOM 0 H LYS A 59 -6.114 4.816 1.642 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.715 6.545 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.388 5.239 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.957 5.613 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.267 7.425 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.740 7.965 4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.725 7.745 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.323 7.375 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.873 9.919 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.412 9.846 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.518 10.390 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.897 8.775 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.029 9.969 2.413 1.00 0.00 H new ATOM 885 N ALA A 60 -4.581 3.409 4.310 1.00 0.00 N ATOM 886 CA ALA A 60 -3.813 2.547 5.213 1.00 0.00 C ATOM 887 C ALA A 60 -2.294 2.759 5.053 1.00 0.00 C ATOM 888 O ALA A 60 -1.579 2.826 6.048 1.00 0.00 O ATOM 889 CB ALA A 60 -4.252 1.099 4.986 1.00 0.00 C ATOM 0 H ALA A 60 -5.091 2.907 3.583 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.021 2.811 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.691 0.441 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.317 1.005 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.060 0.819 3.950 1.00 0.00 H new ATOM 895 N ILE A 61 -1.806 2.987 3.824 1.00 0.00 N ATOM 896 CA ILE A 61 -0.407 3.390 3.577 1.00 0.00 C ATOM 897 C ILE A 61 -0.104 4.742 4.242 1.00 0.00 C ATOM 898 O ILE A 61 0.823 4.826 5.049 1.00 0.00 O ATOM 899 CB ILE A 61 -0.064 3.403 2.065 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.333 2.045 1.401 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.417 3.757 1.862 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.030 1.993 -0.102 1.00 0.00 C ATOM 0 H ILE A 61 -2.364 2.899 2.975 1.00 0.00 H new ATOM 0 HA ILE A 61 0.238 2.640 4.035 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.706 4.152 1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.265 1.285 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.379 1.781 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.647 3.763 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.616 4.743 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.040 3.016 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.250 0.996 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.647 2.725 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.023 2.221 -0.269 1.00 0.00 H new ATOM 914 N GLU A 62 -0.912 5.777 3.991 1.00 0.00 N ATOM 915 CA GLU A 62 -0.745 7.090 4.624 1.00 0.00 C ATOM 916 C GLU A 62 -0.755 7.021 6.160 1.00 0.00 C ATOM 917 O GLU A 62 -0.176 7.894 6.794 1.00 0.00 O ATOM 918 CB GLU A 62 -1.798 8.091 4.107 1.00 0.00 C ATOM 919 CG GLU A 62 -1.545 8.432 2.635 1.00 0.00 C ATOM 920 CD GLU A 62 -2.520 9.387 1.948 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.739 9.307 2.204 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.074 10.079 1.000 1.00 0.00 O ATOM 0 H GLU A 62 -1.699 5.729 3.344 1.00 0.00 H new ATOM 0 HA GLU A 62 0.244 7.448 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.796 7.668 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.767 9.001 4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.546 8.860 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.537 7.499 2.072 1.00 0.00 H new ATOM 929 N ALA A 63 -1.305 5.963 6.771 1.00 0.00 N ATOM 930 CA ALA A 63 -1.298 5.734 8.216 1.00 0.00 C ATOM 931 C ALA A 63 -0.079 4.966 8.764 1.00 0.00 C ATOM 932 O ALA A 63 0.000 4.771 9.975 1.00 0.00 O ATOM 933 CB ALA A 63 -2.622 5.055 8.592 1.00 0.00 C ATOM 0 H ALA A 63 -1.780 5.223 6.255 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.203 6.708 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.645 4.872 9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.454 5.703 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.709 4.107 8.060 1.00 0.00 H new ATOM 939 N VAL A 64 0.888 4.584 7.920 1.00 0.00 N ATOM 940 CA VAL A 64 2.136 3.911 8.355 1.00 0.00 C ATOM 941 C VAL A 64 3.261 4.919 8.573 1.00 0.00 C ATOM 942 O VAL A 64 4.150 4.713 9.394 1.00 0.00 O ATOM 943 CB VAL A 64 2.583 2.763 7.414 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.484 3.143 6.255 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.365 1.704 8.209 1.00 0.00 C ATOM 0 H VAL A 64 0.834 4.730 6.912 1.00 0.00 H new ATOM 0 HA VAL A 64 1.904 3.440 9.310 1.00 0.00 H new ATOM 0 HB VAL A 64 1.639 2.412 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.725 2.253 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.973 3.865 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.403 3.585 6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.675 0.902 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.246 2.163 8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.729 1.296 8.995 1.00 0.00 H new ATOM 955 N SER A 65 3.226 6.035 7.844 1.00 0.00 N ATOM 956 CA SER A 65 4.085 7.195 8.090 1.00 0.00 C ATOM 957 C SER A 65 3.418 8.520 7.647 1.00 0.00 C ATOM 958 O SER A 65 3.848 9.151 6.677 1.00 0.00 O ATOM 959 CB SER A 65 5.503 6.984 7.542 1.00 0.00 C ATOM 960 OG SER A 65 5.884 5.626 7.368 1.00 0.00 O ATOM 0 H SER A 65 2.592 6.161 7.055 1.00 0.00 H new ATOM 0 HA SER A 65 4.209 7.293 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.585 7.494 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.212 7.461 8.218 1.00 0.00 H new ATOM 0 HG SER A 65 5.986 5.435 6.412 1.00 0.00 H new ATOM 966 N PRO A 66 2.342 8.940 8.340 1.00 0.00 N ATOM 967 CA PRO A 66 1.582 10.148 8.027 1.00 0.00 C ATOM 968 C PRO A 66 2.441 11.415 8.032 1.00 0.00 C ATOM 969 O PRO A 66 3.391 11.542 8.805 1.00 0.00 O ATOM 970 CB PRO A 66 0.429 10.211 9.038 1.00 0.00 C ATOM 971 CG PRO A 66 0.812 9.210 10.129 1.00 0.00 C ATOM 972 CD PRO A 66 1.650 8.187 9.373 1.00 0.00 C ATOM 0 HA PRO A 66 1.198 10.099 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.314 11.216 9.445 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.520 9.945 8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.379 9.683 10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.067 8.754 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.357 7.691 10.038 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.022 7.409 8.938 1.00 0.00 H new ATOM 980 N GLY A 67 2.101 12.349 7.135 1.00 0.00 N ATOM 981 CA GLY A 67 2.824 13.606 6.899 1.00 0.00 C ATOM 982 C GLY A 67 4.010 13.442 5.943 1.00 0.00 C ATOM 983 O GLY A 67 4.207 14.278 5.065 1.00 0.00 O ATOM 0 H GLY A 67 1.285 12.247 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.134 14.345 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.183 13.997 7.851 1.00 0.00 H new ATOM 987 N LEU A 68 4.761 12.349 6.088 1.00 0.00 N ATOM 988 CA LEU A 68 5.848 11.949 5.189 1.00 0.00 C ATOM 989 C LEU A 68 5.311 11.330 3.888 1.00 0.00 C ATOM 990 O LEU A 68 5.783 11.610 2.788 1.00 0.00 O ATOM 991 CB LEU A 68 6.713 10.948 5.966 1.00 0.00 C ATOM 992 CG LEU A 68 7.849 10.329 5.138 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.932 11.354 4.804 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.450 9.190 5.948 1.00 0.00 C ATOM 0 H LEU A 68 4.626 11.696 6.859 1.00 0.00 H new ATOM 0 HA LEU A 68 6.433 12.817 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.142 11.450 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.075 10.149 6.343 1.00 0.00 H new ATOM 0 HG LEU A 68 7.445 9.968 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.717 10.876 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.495 12.170 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.357 11.748 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.261 8.731 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.838 9.578 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.682 8.444 6.152 1.00 0.00 H new ATOM 1006 N TYR A 69 4.340 10.429 4.028 1.00 0.00 N ATOM 1007 CA TYR A 69 3.876 9.563 2.952 1.00 0.00 C ATOM 1008 C TYR A 69 3.056 10.287 1.873 1.00 0.00 C ATOM 1009 O TYR A 69 1.834 10.434 1.938 1.00 0.00 O ATOM 1010 CB TYR A 69 3.175 8.336 3.558 1.00 0.00 C ATOM 1011 CG TYR A 69 4.098 7.162 3.851 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.469 7.329 4.139 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.589 5.860 3.737 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.300 6.212 4.336 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.424 4.741 3.827 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.776 4.910 4.174 1.00 0.00 C ATOM 1017 OH TYR A 69 6.557 3.826 4.412 1.00 0.00 O ATOM 0 H TYR A 69 3.847 10.280 4.908 1.00 0.00 H new ATOM 0 HA TYR A 69 4.746 9.216 2.394 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.683 8.635 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.393 8.005 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.884 8.324 4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.530 5.718 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.336 6.349 4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.033 3.754 3.631 1.00 0.00 H new ATOM 0 HH TYR A 69 7.499 4.096 4.417 1.00 0.00 H new ATOM 1027 N ARG A 70 3.741 10.652 0.789 1.00 0.00 N ATOM 1028 CA ARG A 70 3.186 11.182 -0.463 1.00 0.00 C ATOM 1029 C ARG A 70 2.473 10.128 -1.311 1.00 0.00 C ATOM 1030 O ARG A 70 2.912 9.766 -2.400 1.00 0.00 O ATOM 1031 CB ARG A 70 4.341 11.795 -1.237 1.00 0.00 C ATOM 1032 CG ARG A 70 4.603 13.212 -0.843 1.00 0.00 C ATOM 1033 CD ARG A 70 3.837 14.083 -1.805 1.00 0.00 C ATOM 1034 NE ARG A 70 4.589 14.229 -3.066 1.00 0.00 N ATOM 1035 CZ ARG A 70 4.105 14.228 -4.301 1.00 0.00 C ATOM 1036 NH1 ARG A 70 2.817 14.342 -4.558 1.00 0.00 N ATOM 1037 NH2 ARG A 70 4.930 14.081 -5.309 1.00 0.00 N ATOM 0 H ARG A 70 4.758 10.583 0.756 1.00 0.00 H new ATOM 0 HA ARG A 70 2.420 11.919 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.241 11.203 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.123 11.752 -2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.281 13.393 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.669 13.434 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.859 13.645 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.663 15.063 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 70 5.599 14.344 -2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.150 14.436 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.487 14.337 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.929 13.969 -5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.573 14.078 -6.264 1.00 0.00 H new ATOM 1051 N VAL A 71 1.386 9.612 -0.770 1.00 0.00 N ATOM 1052 CA VAL A 71 0.688 8.457 -1.383 1.00 0.00 C ATOM 1053 C VAL A 71 -0.256 8.894 -2.501 1.00 0.00 C ATOM 1054 O VAL A 71 -1.008 9.857 -2.372 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.033 7.493 -0.420 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.312 6.127 -1.079 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.847 7.210 0.796 1.00 0.00 C ATOM 0 H VAL A 71 0.956 9.959 0.087 1.00 0.00 H new ATOM 0 HA VAL A 71 1.510 7.869 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.969 7.977 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.821 5.477 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.943 6.268 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.630 5.669 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.328 6.528 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.783 6.756 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.059 8.144 1.317 1.00 0.00 H new ATOM 1067 N SER A 72 -0.231 8.148 -3.601 1.00 0.00 N ATOM 1068 CA SER A 72 -1.131 8.312 -4.743 1.00 0.00 C ATOM 1069 C SER A 72 -1.331 6.972 -5.470 1.00 0.00 C ATOM 1070 O SER A 72 -0.507 6.069 -5.350 1.00 0.00 O ATOM 1071 CB SER A 72 -0.585 9.413 -5.669 1.00 0.00 C ATOM 1072 OG SER A 72 0.814 9.305 -5.850 1.00 0.00 O ATOM 0 H SER A 72 0.437 7.388 -3.729 1.00 0.00 H new ATOM 0 HA SER A 72 -2.116 8.626 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.082 9.352 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.822 10.391 -5.250 1.00 0.00 H new ATOM 0 HG SER A 72 1.123 10.020 -6.445 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.430 6.809 -6.208 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.696 5.627 -7.046 1.00 0.00 C ATOM 1080 C ILE A 73 -2.006 5.787 -8.393 1.00 0.00 C ATOM 1081 O ILE A 73 -2.140 6.816 -9.053 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.224 5.397 -7.177 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.819 5.057 -5.790 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.561 4.282 -8.188 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.349 4.957 -5.740 1.00 0.00 C ATOM 0 H ILE A 73 -3.176 7.503 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.283 4.735 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.667 6.318 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.398 4.109 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.498 5.818 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.642 4.158 -8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.174 4.553 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.105 3.347 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.665 4.715 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.786 5.910 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.685 4.175 -6.421 1.00 0.00 H new ATOM 1097 N THR A 74 -1.256 4.757 -8.791 1.00 0.00 N ATOM 1098 CA THR A 74 -0.500 4.729 -10.041 1.00 0.00 C ATOM 1099 C THR A 74 -1.391 4.180 -11.151 1.00 0.00 C ATOM 1100 O THR A 74 -1.691 2.992 -11.170 1.00 0.00 O ATOM 1101 CB THR A 74 0.789 3.905 -9.870 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.210 3.885 -8.523 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.916 4.567 -10.645 1.00 0.00 C ATOM 0 H THR A 74 -1.157 3.903 -8.241 1.00 0.00 H new ATOM 0 HA THR A 74 -0.196 5.739 -10.316 1.00 0.00 H new ATOM 0 HB THR A 74 0.575 2.896 -10.222 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.029 3.353 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.830 3.986 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.652 4.615 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.076 5.576 -10.265 1.00 0.00 H new