USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 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= -1.18 K(o=-0.044,f=-1.7) USER MOD Set 1.2: A 65 SER OG : rot 115:sc= 1.14 USER MOD Set 2.1: A 3 SER OG : rot -133:sc= 0.273 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.101 USER MOD Single : A 4 THR OG1 : rot 10:sc= 0.774 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -172:sc= -0.947 (180deg=-1.23) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.411 USER MOD Single : A 15 LYS NZ :NH3+ 138:sc= 2.06 (180deg=0.0828) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -85:sc= -1.89 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.0862 X(o=0.086,f=0) USER MOD Single : A 23 SER OG : rot 100:sc= 1.32 USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.848 USER MOD Single : A 26 SER OG : rot -38:sc= 1.06 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 61:sc= 1.17 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00252 USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 0.923 (180deg=-0.78!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 72 SER OG : rot 72:sc= 0.876 USER MOD Single : A 74 THR OG1 : rot -52:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -11.119 -11.743 -5.228 1.00 0.00 N ATOM 16 CA ASP A 2 -9.990 -10.901 -4.896 1.00 0.00 C ATOM 17 C ASP A 2 -9.834 -9.796 -5.960 1.00 0.00 C ATOM 18 O ASP A 2 -9.863 -10.033 -7.164 1.00 0.00 O ATOM 19 CB ASP A 2 -8.735 -11.794 -4.749 1.00 0.00 C ATOM 20 CG ASP A 2 -8.520 -12.866 -5.849 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.471 -13.646 -6.124 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.378 -12.963 -6.344 1.00 0.00 O ATOM 0 HA ASP A 2 -10.142 -10.391 -3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.857 -11.148 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.786 -12.299 -3.785 1.00 0.00 H new ATOM 27 N SER A 3 -9.726 -8.560 -5.488 1.00 0.00 N ATOM 28 CA SER A 3 -9.407 -7.370 -6.271 1.00 0.00 C ATOM 29 C SER A 3 -7.932 -6.989 -6.060 1.00 0.00 C ATOM 30 O SER A 3 -7.170 -7.677 -5.375 1.00 0.00 O ATOM 31 CB SER A 3 -10.338 -6.221 -5.840 1.00 0.00 C ATOM 32 OG SER A 3 -10.319 -5.124 -6.738 1.00 0.00 O ATOM 0 H SER A 3 -9.865 -8.349 -4.500 1.00 0.00 H new ATOM 0 HA SER A 3 -9.559 -7.569 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.357 -6.598 -5.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.045 -5.876 -4.848 1.00 0.00 H new ATOM 0 HG SER A 3 -10.230 -4.289 -6.233 1.00 0.00 H new ATOM 38 N THR A 4 -7.507 -5.862 -6.633 1.00 0.00 N ATOM 39 CA THR A 4 -6.123 -5.378 -6.584 1.00 0.00 C ATOM 40 C THR A 4 -6.088 -3.887 -6.856 1.00 0.00 C ATOM 41 O THR A 4 -6.939 -3.341 -7.557 1.00 0.00 O ATOM 42 CB THR A 4 -5.237 -6.188 -7.547 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.989 -7.417 -6.933 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.856 -5.600 -7.860 1.00 0.00 C ATOM 0 H THR A 4 -8.128 -5.245 -7.156 1.00 0.00 H new ATOM 0 HA THR A 4 -5.713 -5.530 -5.586 1.00 0.00 H new ATOM 0 HB THR A 4 -5.786 -6.220 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.562 -7.510 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.327 -6.260 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.974 -4.618 -8.318 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.284 -5.504 -6.937 1.00 0.00 H new ATOM 52 N ALA A 5 -5.090 -3.227 -6.279 1.00 0.00 N ATOM 53 CA ALA A 5 -4.758 -1.831 -6.488 1.00 0.00 C ATOM 54 C ALA A 5 -3.253 -1.616 -6.279 1.00 0.00 C ATOM 55 O ALA A 5 -2.596 -2.383 -5.561 1.00 0.00 O ATOM 56 CB ALA A 5 -5.586 -0.979 -5.525 1.00 0.00 C ATOM 0 H ALA A 5 -4.459 -3.680 -5.618 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.994 -1.533 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.346 0.074 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.647 -1.139 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.357 -1.264 -4.498 1.00 0.00 H new ATOM 62 N THR A 6 -2.716 -0.558 -6.892 1.00 0.00 N ATOM 63 CA THR A 6 -1.295 -0.212 -6.833 1.00 0.00 C ATOM 64 C THR A 6 -1.145 1.225 -6.392 1.00 0.00 C ATOM 65 O THR A 6 -1.863 2.109 -6.860 1.00 0.00 O ATOM 66 CB THR A 6 -0.625 -0.412 -8.184 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.828 -1.745 -8.584 1.00 0.00 O ATOM 68 CG2 THR A 6 0.878 -0.157 -8.138 1.00 0.00 C ATOM 0 H THR A 6 -3.266 0.093 -7.452 1.00 0.00 H new ATOM 0 HA THR A 6 -0.808 -0.871 -6.114 1.00 0.00 H new ATOM 0 HB THR A 6 -1.065 0.301 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.404 -1.893 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.304 -0.314 -9.129 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.063 0.870 -7.822 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.342 -0.844 -7.430 1.00 0.00 H new ATOM 76 N PHE A 7 -0.167 1.449 -5.523 1.00 0.00 N ATOM 77 CA PHE A 7 0.079 2.728 -4.873 1.00 0.00 C ATOM 78 C PHE A 7 1.563 3.063 -4.856 1.00 0.00 C ATOM 79 O PHE A 7 2.418 2.191 -4.700 1.00 0.00 O ATOM 80 CB PHE A 7 -0.474 2.739 -3.442 1.00 0.00 C ATOM 81 CG PHE A 7 -1.891 2.198 -3.314 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.159 0.814 -3.199 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.968 3.099 -3.419 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.479 0.354 -3.205 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.291 2.631 -3.419 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.545 1.257 -3.309 1.00 0.00 C ATOM 0 H PHE A 7 0.495 0.725 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.442 3.489 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.186 2.150 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.452 3.761 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.343 0.112 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.774 4.158 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.678 -0.705 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.112 3.328 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.562 0.894 -3.304 1.00 0.00 H new ATOM 96 N ILE A 8 1.877 4.343 -4.990 1.00 0.00 N ATOM 97 CA ILE A 8 3.220 4.890 -4.899 1.00 0.00 C ATOM 98 C ILE A 8 3.257 5.938 -3.810 1.00 0.00 C ATOM 99 O ILE A 8 2.310 6.700 -3.638 1.00 0.00 O ATOM 100 CB ILE A 8 3.613 5.454 -6.280 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.134 5.627 -6.371 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.907 6.778 -6.629 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.645 5.394 -7.792 1.00 0.00 C ATOM 0 H ILE A 8 1.172 5.058 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 8 3.946 4.122 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 8 3.277 4.722 -7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.406 6.631 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.621 4.929 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.232 7.115 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.828 6.624 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.161 7.533 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.727 5.526 -7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.396 4.381 -8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.178 6.109 -8.469 1.00 0.00 H new ATOM 115 N ILE A 9 4.350 5.952 -3.064 1.00 0.00 N ATOM 116 CA ILE A 9 4.587 6.868 -1.963 1.00 0.00 C ATOM 117 C ILE A 9 5.703 7.831 -2.361 1.00 0.00 C ATOM 118 O ILE A 9 6.582 7.475 -3.144 1.00 0.00 O ATOM 119 CB ILE A 9 5.031 6.088 -0.698 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.297 4.753 -0.421 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.914 6.971 0.552 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.843 3.555 -1.181 1.00 0.00 C ATOM 0 H ILE A 9 5.122 5.303 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 9 3.667 7.410 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 9 6.065 5.821 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.348 4.542 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.243 4.875 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.230 6.405 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.550 7.849 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.879 7.287 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.266 2.667 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.767 3.738 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.888 3.400 -0.913 1.00 0.00 H new ATOM 134 N ASP A 10 5.699 9.020 -1.775 1.00 0.00 N ATOM 135 CA ASP A 10 6.860 9.903 -1.790 1.00 0.00 C ATOM 136 C ASP A 10 7.154 10.446 -0.388 1.00 0.00 C ATOM 137 O ASP A 10 6.229 10.629 0.396 1.00 0.00 O ATOM 138 CB ASP A 10 6.755 11.006 -2.852 1.00 0.00 C ATOM 139 CG ASP A 10 8.103 11.068 -3.589 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.153 11.055 -2.907 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.128 10.943 -4.834 1.00 0.00 O ATOM 0 H ASP A 10 4.894 9.400 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 10 7.720 9.304 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.946 10.790 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.528 11.965 -2.387 1.00 0.00 H new ATOM 146 N GLY A 11 8.437 10.624 -0.051 1.00 0.00 N ATOM 147 CA GLY A 11 8.918 11.031 1.284 1.00 0.00 C ATOM 148 C GLY A 11 9.284 9.835 2.164 1.00 0.00 C ATOM 149 O GLY A 11 9.747 9.970 3.292 1.00 0.00 O ATOM 0 H GLY A 11 9.197 10.486 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.790 11.676 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.147 11.621 1.780 1.00 0.00 H new ATOM 153 N MET A 12 9.088 8.631 1.627 1.00 0.00 N ATOM 154 CA MET A 12 9.194 7.365 2.332 1.00 0.00 C ATOM 155 C MET A 12 10.621 6.997 2.760 1.00 0.00 C ATOM 156 O MET A 12 11.610 7.487 2.223 1.00 0.00 O ATOM 157 CB MET A 12 8.577 6.292 1.429 1.00 0.00 C ATOM 158 CG MET A 12 9.541 5.776 0.359 1.00 0.00 C ATOM 159 SD MET A 12 8.835 5.618 -1.271 1.00 0.00 S ATOM 160 CE MET A 12 9.443 7.199 -1.919 1.00 0.00 C ATOM 0 H MET A 12 8.840 8.512 0.645 1.00 0.00 H new ATOM 0 HA MET A 12 8.655 7.447 3.276 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.246 5.455 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.691 6.701 0.943 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.396 6.450 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.921 4.803 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.000 7.386 -2.897 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.167 8.002 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.528 7.160 -2.014 1.00 0.00 H new ATOM 170 N HIS A 13 10.733 6.011 3.648 1.00 0.00 N ATOM 171 CA HIS A 13 12.001 5.517 4.205 1.00 0.00 C ATOM 172 C HIS A 13 12.840 4.668 3.201 1.00 0.00 C ATOM 173 O HIS A 13 13.423 3.648 3.578 1.00 0.00 O ATOM 174 CB HIS A 13 11.741 4.747 5.524 1.00 0.00 C ATOM 175 CG HIS A 13 10.534 5.111 6.361 1.00 0.00 C ATOM 176 ND1 HIS A 13 9.850 4.223 7.167 1.00 0.00 N ATOM 177 CD2 HIS A 13 9.899 6.322 6.477 1.00 0.00 C ATOM 178 CE1 HIS A 13 8.826 4.871 7.735 1.00 0.00 C ATOM 179 NE2 HIS A 13 8.795 6.145 7.313 1.00 0.00 N ATOM 0 H HIS A 13 9.921 5.515 4.014 1.00 0.00 H new ATOM 0 HA HIS A 13 12.613 6.394 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.663 3.688 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.624 4.863 6.152 1.00 0.00 H new ATOM 0 HD1 HIS A 13 10.085 3.240 7.306 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.199 7.246 6.006 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.126 4.433 8.431 1.00 0.00 H new ATOM 187 N CYS A 14 12.857 5.023 1.910 1.00 0.00 N ATOM 188 CA CYS A 14 13.570 4.315 0.836 1.00 0.00 C ATOM 189 C CYS A 14 13.216 2.805 0.811 1.00 0.00 C ATOM 190 O CYS A 14 12.078 2.424 1.095 1.00 0.00 O ATOM 191 CB CYS A 14 15.068 4.656 0.979 1.00 0.00 C ATOM 192 SG CYS A 14 15.964 4.247 -0.549 1.00 0.00 S ATOM 0 H CYS A 14 12.355 5.843 1.570 1.00 0.00 H new ATOM 0 HA CYS A 14 13.254 4.647 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.186 5.716 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.494 4.103 1.816 1.00 0.00 H new ATOM 0 HG CYS A 14 17.222 4.544 -0.407 1.00 0.00 H new ATOM 198 N LYS A 15 14.165 1.918 0.513 1.00 0.00 N ATOM 199 CA LYS A 15 13.964 0.457 0.484 1.00 0.00 C ATOM 200 C LYS A 15 13.541 -0.152 1.837 1.00 0.00 C ATOM 201 O LYS A 15 13.055 -1.272 1.880 1.00 0.00 O ATOM 202 CB LYS A 15 15.230 -0.209 -0.073 1.00 0.00 C ATOM 203 CG LYS A 15 15.433 0.131 -1.563 1.00 0.00 C ATOM 204 CD LYS A 15 16.445 -0.821 -2.218 1.00 0.00 C ATOM 205 CE LYS A 15 16.136 -1.196 -3.680 1.00 0.00 C ATOM 206 NZ LYS A 15 16.093 -0.026 -4.597 1.00 0.00 N ATOM 0 H LYS A 15 15.119 2.194 0.279 1.00 0.00 H new ATOM 0 HA LYS A 15 13.118 0.258 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.098 0.120 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.159 -1.290 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.479 0.068 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.782 1.159 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.432 -0.361 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.495 -1.736 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.892 -1.897 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.177 -1.713 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.574 -0.265 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.103 0.224 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.572 0.782 -4.151 1.00 0.00 H new ATOM 220 N SER A 16 13.655 0.568 2.950 1.00 0.00 N ATOM 221 CA SER A 16 13.168 0.115 4.264 1.00 0.00 C ATOM 222 C SER A 16 11.733 0.574 4.541 1.00 0.00 C ATOM 223 O SER A 16 11.118 0.073 5.480 1.00 0.00 O ATOM 224 CB SER A 16 14.074 0.660 5.374 1.00 0.00 C ATOM 225 OG SER A 16 15.447 0.482 5.056 1.00 0.00 O ATOM 0 H SER A 16 14.090 1.490 2.973 1.00 0.00 H new ATOM 0 HA SER A 16 13.185 -0.975 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.869 1.720 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.848 0.153 6.312 1.00 0.00 H new ATOM 0 HG SER A 16 16.000 0.841 5.781 1.00 0.00 H new ATOM 231 N CYS A 17 11.164 1.494 3.744 1.00 0.00 N ATOM 232 CA CYS A 17 9.734 1.807 3.799 1.00 0.00 C ATOM 233 C CYS A 17 8.953 0.512 3.571 1.00 0.00 C ATOM 234 O CYS A 17 8.120 0.143 4.388 1.00 0.00 O ATOM 235 CB CYS A 17 9.440 2.943 2.796 1.00 0.00 C ATOM 236 SG CYS A 17 8.995 2.409 1.115 1.00 0.00 S ATOM 0 H CYS A 17 11.681 2.035 3.051 1.00 0.00 H new ATOM 0 HA CYS A 17 9.414 2.184 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.627 3.552 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.318 3.585 2.734 1.00 0.00 H new ATOM 0 HG CYS A 17 10.077 2.201 0.425 1.00 0.00 H new ATOM 242 N VAL A 18 9.367 -0.204 2.531 1.00 0.00 N ATOM 243 CA VAL A 18 8.852 -1.449 1.977 1.00 0.00 C ATOM 244 C VAL A 18 8.447 -2.430 3.065 1.00 0.00 C ATOM 245 O VAL A 18 7.281 -2.794 3.136 1.00 0.00 O ATOM 246 CB VAL A 18 9.936 -2.059 1.051 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.653 -3.494 0.596 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.258 -1.106 -0.120 1.00 0.00 C ATOM 0 H VAL A 18 10.171 0.116 1.991 1.00 0.00 H new ATOM 0 HA VAL A 18 7.949 -1.237 1.404 1.00 0.00 H new ATOM 0 HB VAL A 18 10.834 -2.157 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.463 -3.838 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.580 -4.144 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.714 -3.522 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.021 -1.555 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.355 -0.931 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.626 -0.158 0.273 1.00 0.00 H new ATOM 258 N SER A 19 9.369 -2.770 3.961 1.00 0.00 N ATOM 259 CA SER A 19 9.120 -3.806 4.968 1.00 0.00 C ATOM 260 C SER A 19 7.984 -3.404 5.937 1.00 0.00 C ATOM 261 O SER A 19 7.096 -4.207 6.241 1.00 0.00 O ATOM 262 CB SER A 19 10.455 -4.057 5.690 1.00 0.00 C ATOM 263 OG SER A 19 10.540 -5.385 6.176 1.00 0.00 O ATOM 0 H SER A 19 10.295 -2.346 4.013 1.00 0.00 H new ATOM 0 HA SER A 19 8.773 -4.727 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.282 -3.865 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.559 -3.357 6.519 1.00 0.00 H new ATOM 0 HG SER A 19 11.400 -5.514 6.628 1.00 0.00 H new ATOM 269 N ASN A 20 7.911 -2.119 6.321 1.00 0.00 N ATOM 270 CA ASN A 20 6.747 -1.578 7.042 1.00 0.00 C ATOM 271 C ASN A 20 5.451 -1.693 6.230 1.00 0.00 C ATOM 272 O ASN A 20 4.399 -1.961 6.804 1.00 0.00 O ATOM 273 CB ASN A 20 6.878 -0.083 7.345 1.00 0.00 C ATOM 274 CG ASN A 20 8.062 0.347 8.166 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.012 0.481 9.376 1.00 0.00 O ATOM 276 ND2 ASN A 20 9.166 0.648 7.533 1.00 0.00 N ATOM 0 H ASN A 20 8.646 -1.434 6.144 1.00 0.00 H new ATOM 0 HA ASN A 20 6.712 -2.172 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.911 0.453 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.973 0.238 7.861 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.974 0.991 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.219 0.540 6.520 1.00 0.00 H new ATOM 283 N ILE A 21 5.492 -1.416 4.919 1.00 0.00 N ATOM 284 CA ILE A 21 4.281 -1.320 4.078 1.00 0.00 C ATOM 285 C ILE A 21 3.697 -2.703 3.813 1.00 0.00 C ATOM 286 O ILE A 21 2.506 -2.892 4.039 1.00 0.00 O ATOM 287 CB ILE A 21 4.506 -0.551 2.752 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.559 0.580 2.868 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.128 -0.089 2.239 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.423 1.757 1.899 1.00 0.00 C ATOM 0 H ILE A 21 6.360 -1.252 4.409 1.00 0.00 H new ATOM 0 HA ILE A 21 3.562 -0.732 4.647 1.00 0.00 H new ATOM 0 HB ILE A 21 4.953 -1.213 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.525 0.972 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.546 0.139 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.252 0.457 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.493 -0.958 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.663 0.561 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.220 2.476 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.494 1.394 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.457 2.240 2.046 1.00 0.00 H new ATOM 302 N GLU A 22 4.551 -3.653 3.426 1.00 0.00 N ATOM 303 CA GLU A 22 4.253 -5.081 3.328 1.00 0.00 C ATOM 304 C GLU A 22 3.525 -5.537 4.603 1.00 0.00 C ATOM 305 O GLU A 22 2.419 -6.069 4.553 1.00 0.00 O ATOM 306 CB GLU A 22 5.591 -5.825 3.125 1.00 0.00 C ATOM 307 CG GLU A 22 6.224 -5.533 1.754 1.00 0.00 C ATOM 308 CD GLU A 22 7.562 -6.241 1.550 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.415 -6.145 2.462 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.708 -6.839 0.462 1.00 0.00 O ATOM 0 H GLU A 22 5.512 -3.437 3.161 1.00 0.00 H new ATOM 0 HA GLU A 22 3.596 -5.299 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.287 -5.536 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.425 -6.898 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.533 -5.840 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.369 -4.458 1.649 1.00 0.00 H new ATOM 317 N SER A 23 4.102 -5.221 5.760 1.00 0.00 N ATOM 318 CA SER A 23 3.583 -5.634 7.066 1.00 0.00 C ATOM 319 C SER A 23 2.284 -4.954 7.515 1.00 0.00 C ATOM 320 O SER A 23 1.396 -5.625 8.039 1.00 0.00 O ATOM 321 CB SER A 23 4.675 -5.367 8.117 1.00 0.00 C ATOM 322 OG SER A 23 5.893 -6.016 7.793 1.00 0.00 O ATOM 0 H SER A 23 4.954 -4.664 5.820 1.00 0.00 H new ATOM 0 HA SER A 23 3.329 -6.689 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.846 -4.294 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.330 -5.709 9.093 1.00 0.00 H new ATOM 0 HG SER A 23 6.506 -5.373 7.379 1.00 0.00 H new ATOM 328 N THR A 24 2.174 -3.631 7.344 1.00 0.00 N ATOM 329 CA THR A 24 1.036 -2.817 7.802 1.00 0.00 C ATOM 330 C THR A 24 -0.195 -3.113 6.973 1.00 0.00 C ATOM 331 O THR A 24 -1.299 -3.215 7.502 1.00 0.00 O ATOM 332 CB THR A 24 1.391 -1.315 7.798 1.00 0.00 C ATOM 333 OG1 THR A 24 2.467 -1.151 8.682 1.00 0.00 O ATOM 334 CG2 THR A 24 0.253 -0.421 8.291 1.00 0.00 C ATOM 0 H THR A 24 2.891 -3.081 6.871 1.00 0.00 H new ATOM 0 HA THR A 24 0.809 -3.086 8.834 1.00 0.00 H new ATOM 0 HB THR A 24 1.613 -1.023 6.772 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.302 -1.389 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.571 0.621 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.618 -0.553 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.006 -0.693 9.314 1.00 0.00 H new ATOM 342 N LEU A 25 0.002 -3.266 5.667 1.00 0.00 N ATOM 343 CA LEU A 25 -1.080 -3.581 4.752 1.00 0.00 C ATOM 344 C LEU A 25 -1.525 -5.026 4.903 1.00 0.00 C ATOM 345 O LEU A 25 -2.727 -5.238 4.994 1.00 0.00 O ATOM 346 CB LEU A 25 -0.644 -3.270 3.321 1.00 0.00 C ATOM 347 CG LEU A 25 -0.603 -1.775 2.921 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.919 -1.391 2.240 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.311 -0.779 4.061 1.00 0.00 C ATOM 0 H LEU A 25 0.914 -3.175 5.219 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.943 -2.961 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.349 -3.692 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.318 -3.787 2.639 1.00 0.00 H new ATOM 0 HG LEU A 25 0.248 -1.691 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.889 -0.338 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.059 -2.001 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.747 -1.560 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.307 0.236 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.082 -0.866 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.662 -1.002 4.499 1.00 0.00 H new ATOM 361 N SER A 26 -0.620 -6.008 4.991 1.00 0.00 N ATOM 362 CA SER A 26 -1.025 -7.425 5.055 1.00 0.00 C ATOM 363 C SER A 26 -1.703 -7.822 6.390 1.00 0.00 C ATOM 364 O SER A 26 -1.877 -9.008 6.676 1.00 0.00 O ATOM 365 CB SER A 26 0.185 -8.327 4.783 1.00 0.00 C ATOM 366 OG SER A 26 -0.220 -9.684 4.717 1.00 0.00 O ATOM 0 H SER A 26 0.388 -5.855 5.020 1.00 0.00 H new ATOM 0 HA SER A 26 -1.780 -7.565 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.661 -8.036 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.927 -8.199 5.571 1.00 0.00 H new ATOM 0 HG SER A 26 -0.919 -9.850 5.384 1.00 0.00 H new ATOM 372 N ALA A 27 -2.097 -6.841 7.206 1.00 0.00 N ATOM 373 CA ALA A 27 -2.845 -7.022 8.446 1.00 0.00 C ATOM 374 C ALA A 27 -4.324 -6.621 8.290 1.00 0.00 C ATOM 375 O ALA A 27 -5.112 -6.788 9.223 1.00 0.00 O ATOM 376 CB ALA A 27 -2.143 -6.178 9.520 1.00 0.00 C ATOM 0 H ALA A 27 -1.894 -5.861 7.010 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.856 -8.074 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.671 -6.283 10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.115 -6.520 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.145 -5.131 9.218 1.00 0.00 H new ATOM 382 N LEU A 28 -4.719 -6.043 7.145 1.00 0.00 N ATOM 383 CA LEU A 28 -6.035 -5.439 7.003 1.00 0.00 C ATOM 384 C LEU A 28 -7.097 -6.522 6.784 1.00 0.00 C ATOM 385 O LEU A 28 -6.984 -7.337 5.871 1.00 0.00 O ATOM 386 CB LEU A 28 -6.028 -4.411 5.860 1.00 0.00 C ATOM 387 CG LEU A 28 -5.014 -3.264 6.041 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.724 -2.578 4.702 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.531 -2.222 7.035 1.00 0.00 C ATOM 0 H LEU A 28 -4.139 -5.986 6.308 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.287 -4.911 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.811 -4.927 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.027 -3.985 5.765 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.095 -3.702 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.006 -1.772 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.311 -3.305 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.649 -2.168 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.795 -1.425 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.468 -1.803 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.699 -2.694 8.003 1.00 0.00 H new ATOM 401 N GLN A 29 -8.175 -6.495 7.564 1.00 0.00 N ATOM 402 CA GLN A 29 -9.204 -7.544 7.572 1.00 0.00 C ATOM 403 C GLN A 29 -9.818 -7.847 6.189 1.00 0.00 C ATOM 404 O GLN A 29 -10.279 -8.960 5.973 1.00 0.00 O ATOM 405 CB GLN A 29 -10.275 -7.130 8.597 1.00 0.00 C ATOM 406 CG GLN A 29 -11.244 -8.264 8.967 1.00 0.00 C ATOM 407 CD GLN A 29 -12.235 -7.816 10.039 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.876 -7.483 11.153 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.517 -7.759 9.747 1.00 0.00 N ATOM 0 H GLN A 29 -8.365 -5.736 8.218 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.733 -8.486 7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.782 -6.775 9.502 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.846 -6.292 8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.787 -8.587 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.680 -9.125 9.326 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.842 -8.033 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.186 -7.441 10.448 1.00 0.00 H new ATOM 418 N TYR A 30 -9.804 -6.897 5.245 1.00 0.00 N ATOM 419 CA TYR A 30 -10.240 -7.100 3.859 1.00 0.00 C ATOM 420 C TYR A 30 -9.135 -7.473 2.852 1.00 0.00 C ATOM 421 O TYR A 30 -9.468 -7.690 1.692 1.00 0.00 O ATOM 422 CB TYR A 30 -10.986 -5.844 3.371 1.00 0.00 C ATOM 423 CG TYR A 30 -10.358 -4.477 3.642 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.965 -4.251 3.577 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.209 -3.399 3.961 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.439 -2.974 3.827 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.683 -2.120 4.234 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.291 -1.903 4.168 1.00 0.00 C ATOM 429 OH TYR A 30 -8.777 -0.672 4.441 1.00 0.00 O ATOM 0 H TYR A 30 -9.482 -5.947 5.428 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.891 -7.974 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.126 -5.938 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.978 -5.850 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.300 -5.067 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.277 -3.555 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.374 -2.810 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.345 -1.307 4.493 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.950 -0.542 3.931 1.00 0.00 H new ATOM 439 N VAL A 31 -7.844 -7.503 3.206 1.00 0.00 N ATOM 440 CA VAL A 31 -6.778 -7.716 2.210 1.00 0.00 C ATOM 441 C VAL A 31 -6.439 -9.207 2.104 1.00 0.00 C ATOM 442 O VAL A 31 -6.347 -9.910 3.104 1.00 0.00 O ATOM 443 CB VAL A 31 -5.557 -6.781 2.360 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.631 -7.144 3.475 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.662 -6.758 1.110 1.00 0.00 C ATOM 0 H VAL A 31 -7.511 -7.384 4.163 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.175 -7.409 1.242 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.033 -5.819 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.804 -6.435 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.171 -7.113 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.242 -8.149 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.822 -6.084 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.288 -7.762 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.241 -6.411 0.254 1.00 0.00 H new ATOM 455 N SER A 32 -6.315 -9.697 0.876 1.00 0.00 N ATOM 456 CA SER A 32 -6.063 -11.104 0.544 1.00 0.00 C ATOM 457 C SER A 32 -4.556 -11.393 0.380 1.00 0.00 C ATOM 458 O SER A 32 -4.100 -12.505 0.632 1.00 0.00 O ATOM 459 CB SER A 32 -6.855 -11.398 -0.744 1.00 0.00 C ATOM 460 OG SER A 32 -6.787 -12.748 -1.156 1.00 0.00 O ATOM 0 H SER A 32 -6.389 -9.106 0.048 1.00 0.00 H new ATOM 0 HA SER A 32 -6.391 -11.759 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.899 -11.127 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.477 -10.763 -1.545 1.00 0.00 H new ATOM 0 HG SER A 32 -7.311 -12.867 -1.976 1.00 0.00 H new ATOM 466 N SER A 33 -3.759 -10.389 -0.005 1.00 0.00 N ATOM 467 CA SER A 33 -2.342 -10.481 -0.383 1.00 0.00 C ATOM 468 C SER A 33 -1.735 -9.107 -0.725 1.00 0.00 C ATOM 469 O SER A 33 -2.418 -8.086 -0.791 1.00 0.00 O ATOM 470 CB SER A 33 -2.184 -11.453 -1.563 1.00 0.00 C ATOM 471 OG SER A 33 -2.073 -12.773 -1.076 1.00 0.00 O ATOM 0 H SER A 33 -4.107 -9.432 -0.065 1.00 0.00 H new ATOM 0 HA SER A 33 -1.792 -10.860 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.041 -11.372 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.300 -11.194 -2.145 1.00 0.00 H new ATOM 0 HG SER A 33 -2.884 -13.007 -0.578 1.00 0.00 H new ATOM 477 N ILE A 34 -0.436 -9.076 -0.998 1.00 0.00 N ATOM 478 CA ILE A 34 0.379 -7.882 -1.259 1.00 0.00 C ATOM 479 C ILE A 34 1.780 -8.301 -1.705 1.00 0.00 C ATOM 480 O ILE A 34 2.261 -9.361 -1.316 1.00 0.00 O ATOM 481 CB ILE A 34 0.431 -6.937 -0.021 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.273 -5.665 -0.289 1.00 0.00 C ATOM 483 CG2 ILE A 34 0.958 -7.655 1.234 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.122 -4.580 0.778 1.00 0.00 C ATOM 0 H ILE A 34 0.116 -9.933 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.088 -7.314 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.599 -6.633 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.324 -5.946 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.988 -5.251 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.977 -6.957 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.305 -8.494 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.967 -8.023 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.743 -3.724 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.079 -4.268 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.436 -4.974 1.745 1.00 0.00 H new ATOM 496 N VAL A 35 2.408 -7.451 -2.512 1.00 0.00 N ATOM 497 CA VAL A 35 3.828 -7.463 -2.868 1.00 0.00 C ATOM 498 C VAL A 35 4.257 -6.015 -2.895 1.00 0.00 C ATOM 499 O VAL A 35 3.516 -5.161 -3.387 1.00 0.00 O ATOM 500 CB VAL A 35 4.088 -8.070 -4.264 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.498 -7.790 -4.827 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.930 -9.590 -4.179 1.00 0.00 C ATOM 0 H VAL A 35 1.909 -6.685 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 35 4.377 -8.071 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 35 3.367 -7.600 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.596 -8.252 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.648 -6.714 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.248 -8.207 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.111 -10.030 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.647 -9.991 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.918 -9.833 -3.854 1.00 0.00 H new ATOM 512 N VAL A 36 5.464 -5.745 -2.418 1.00 0.00 N ATOM 513 CA VAL A 36 6.065 -4.422 -2.600 1.00 0.00 C ATOM 514 C VAL A 36 7.248 -4.502 -3.552 1.00 0.00 C ATOM 515 O VAL A 36 8.067 -5.419 -3.518 1.00 0.00 O ATOM 516 CB VAL A 36 6.404 -3.778 -1.253 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.217 -2.495 -1.387 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.101 -3.362 -0.556 1.00 0.00 C ATOM 0 H VAL A 36 6.044 -6.411 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 36 5.336 -3.760 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 36 6.981 -4.521 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.423 -2.090 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.158 -2.711 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.652 -1.765 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.333 -2.902 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.566 -2.647 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.477 -4.241 -0.396 1.00 0.00 H new ATOM 528 N SER A 37 7.314 -3.511 -4.434 1.00 0.00 N ATOM 529 CA SER A 37 8.404 -3.351 -5.378 1.00 0.00 C ATOM 530 C SER A 37 9.647 -2.800 -4.672 1.00 0.00 C ATOM 531 O SER A 37 9.899 -1.603 -4.745 1.00 0.00 O ATOM 532 CB SER A 37 7.973 -2.410 -6.503 1.00 0.00 C ATOM 533 OG SER A 37 7.042 -3.046 -7.362 1.00 0.00 O ATOM 0 H SER A 37 6.599 -2.788 -4.511 1.00 0.00 H new ATOM 0 HA SER A 37 8.654 -4.324 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.528 -1.510 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.846 -2.095 -7.075 1.00 0.00 H new ATOM 0 HG SER A 37 6.778 -2.427 -8.074 1.00 0.00 H new ATOM 539 N LEU A 38 10.438 -3.675 -4.035 1.00 0.00 N ATOM 540 CA LEU A 38 11.656 -3.384 -3.262 1.00 0.00 C ATOM 541 C LEU A 38 12.557 -2.376 -3.961 1.00 0.00 C ATOM 542 O LEU A 38 13.099 -1.481 -3.327 1.00 0.00 O ATOM 543 CB LEU A 38 12.385 -4.728 -3.035 1.00 0.00 C ATOM 544 CG LEU A 38 13.472 -4.820 -1.943 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.777 -4.148 -2.368 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.032 -4.258 -0.587 1.00 0.00 C ATOM 0 H LEU A 38 10.230 -4.674 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 38 11.388 -2.924 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.627 -5.478 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.845 -5.016 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 38 13.642 -5.890 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.511 -4.239 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.159 -4.632 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.593 -3.093 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.847 -4.357 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.771 -3.205 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.164 -4.811 -0.228 1.00 0.00 H new ATOM 558 N GLU A 39 12.722 -2.542 -5.274 1.00 0.00 N ATOM 559 CA GLU A 39 13.519 -1.667 -6.109 1.00 0.00 C ATOM 560 C GLU A 39 13.019 -0.207 -6.072 1.00 0.00 C ATOM 561 O GLU A 39 13.775 0.742 -5.879 1.00 0.00 O ATOM 562 CB GLU A 39 13.516 -2.222 -7.551 1.00 0.00 C ATOM 563 CG GLU A 39 14.924 -2.311 -8.138 1.00 0.00 C ATOM 564 CD GLU A 39 15.616 -0.956 -8.066 1.00 0.00 C ATOM 565 OE1 GLU A 39 15.173 -0.051 -8.800 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.486 -0.820 -7.171 1.00 0.00 O ATOM 0 H GLU A 39 12.292 -3.309 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 39 14.538 -1.647 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.059 -3.211 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.900 -1.582 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.506 -3.053 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.872 -2.646 -9.174 1.00 0.00 H new ATOM 573 N ASN A 40 11.711 -0.048 -6.232 1.00 0.00 N ATOM 574 CA ASN A 40 10.974 1.196 -6.409 1.00 0.00 C ATOM 575 C ASN A 40 10.343 1.688 -5.089 1.00 0.00 C ATOM 576 O ASN A 40 10.632 1.242 -3.984 1.00 0.00 O ATOM 577 CB ASN A 40 9.935 0.980 -7.530 1.00 0.00 C ATOM 578 CG ASN A 40 10.518 0.847 -8.937 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.762 0.803 -9.892 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.827 0.801 -9.123 1.00 0.00 N ATOM 0 H ASN A 40 11.087 -0.854 -6.242 1.00 0.00 H new ATOM 0 HA ASN A 40 11.655 1.994 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.362 0.081 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.235 1.815 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.206 0.729 -10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.458 0.838 -8.322 1.00 0.00 H new ATOM 587 N ARG A 41 9.515 2.719 -5.234 1.00 0.00 N ATOM 588 CA ARG A 41 8.770 3.427 -4.199 1.00 0.00 C ATOM 589 C ARG A 41 7.281 3.025 -4.135 1.00 0.00 C ATOM 590 O ARG A 41 6.439 3.856 -3.805 1.00 0.00 O ATOM 591 CB ARG A 41 8.982 4.937 -4.442 1.00 0.00 C ATOM 592 CG ARG A 41 8.903 5.446 -5.889 1.00 0.00 C ATOM 593 CD ARG A 41 10.256 6.005 -6.359 1.00 0.00 C ATOM 594 NE ARG A 41 10.696 7.228 -5.641 1.00 0.00 N ATOM 595 CZ ARG A 41 10.062 8.397 -5.535 1.00 0.00 C ATOM 596 NH1 ARG A 41 8.942 8.670 -6.164 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.535 9.340 -4.752 1.00 0.00 N ATOM 0 H ARG A 41 9.333 3.113 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 41 9.147 3.150 -3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.240 5.478 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.961 5.206 -4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.595 4.633 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.141 6.222 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.016 5.233 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.194 6.226 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 41 11.598 7.166 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.514 7.970 -6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.500 9.582 -6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.391 9.180 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.046 10.232 -4.675 1.00 0.00 H new ATOM 611 N SER A 42 6.901 1.793 -4.493 1.00 0.00 N ATOM 612 CA SER A 42 5.494 1.424 -4.713 1.00 0.00 C ATOM 613 C SER A 42 5.113 -0.006 -4.292 1.00 0.00 C ATOM 614 O SER A 42 5.944 -0.908 -4.232 1.00 0.00 O ATOM 615 CB SER A 42 5.152 1.580 -6.203 1.00 0.00 C ATOM 616 OG SER A 42 6.155 1.043 -7.057 1.00 0.00 O ATOM 0 H SER A 42 7.556 1.025 -4.638 1.00 0.00 H new ATOM 0 HA SER A 42 4.925 2.099 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.203 1.084 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.015 2.637 -6.431 1.00 0.00 H new ATOM 0 HG SER A 42 5.889 1.166 -7.992 1.00 0.00 H new ATOM 622 N ALA A 43 3.810 -0.204 -4.066 1.00 0.00 N ATOM 623 CA ALA A 43 3.180 -1.412 -3.527 1.00 0.00 C ATOM 624 C ALA A 43 2.016 -1.859 -4.414 1.00 0.00 C ATOM 625 O ALA A 43 1.223 -1.037 -4.867 1.00 0.00 O ATOM 626 CB ALA A 43 2.664 -1.063 -2.123 1.00 0.00 C ATOM 0 H ALA A 43 3.124 0.523 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 43 3.899 -2.231 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.186 -1.938 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.499 -0.752 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.941 -0.251 -2.193 1.00 0.00 H new ATOM 632 N ILE A 44 1.895 -3.169 -4.619 1.00 0.00 N ATOM 633 CA ILE A 44 0.810 -3.844 -5.336 1.00 0.00 C ATOM 634 C ILE A 44 0.062 -4.654 -4.274 1.00 0.00 C ATOM 635 O ILE A 44 0.620 -5.595 -3.705 1.00 0.00 O ATOM 636 CB ILE A 44 1.387 -4.733 -6.462 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.206 -3.886 -7.467 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.234 -5.464 -7.173 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.982 -4.720 -8.492 1.00 0.00 C ATOM 0 H ILE A 44 2.591 -3.828 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 44 0.133 -3.147 -5.829 1.00 0.00 H new ATOM 0 HB ILE A 44 2.062 -5.469 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.531 -3.214 -7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.908 -3.262 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.637 -6.092 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.300 -6.086 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.452 -4.733 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.530 -4.056 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.684 -5.373 -7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.285 -5.324 -9.072 1.00 0.00 H new ATOM 651 N VAL A 45 -1.161 -4.243 -3.960 1.00 0.00 N ATOM 652 CA VAL A 45 -1.944 -4.717 -2.813 1.00 0.00 C ATOM 653 C VAL A 45 -3.194 -5.419 -3.347 1.00 0.00 C ATOM 654 O VAL A 45 -3.885 -4.862 -4.197 1.00 0.00 O ATOM 655 CB VAL A 45 -2.339 -3.527 -1.921 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.976 -4.037 -0.619 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.157 -2.599 -1.579 1.00 0.00 C ATOM 0 H VAL A 45 -1.657 -3.545 -4.514 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.356 -5.411 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.053 -2.937 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.253 -3.189 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.866 -4.621 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.261 -4.664 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.507 -1.782 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.392 -3.165 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.736 -2.193 -2.498 1.00 0.00 H new ATOM 667 N VAL A 46 -3.482 -6.627 -2.866 1.00 0.00 N ATOM 668 CA VAL A 46 -4.488 -7.540 -3.422 1.00 0.00 C ATOM 669 C VAL A 46 -5.557 -7.770 -2.348 1.00 0.00 C ATOM 670 O VAL A 46 -5.289 -8.444 -1.363 1.00 0.00 O ATOM 671 CB VAL A 46 -3.791 -8.869 -3.815 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.733 -9.901 -4.440 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.564 -8.663 -4.727 1.00 0.00 C ATOM 0 H VAL A 46 -3.007 -7.014 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.959 -7.125 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.447 -9.272 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.172 -10.802 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.523 -10.148 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.175 -9.488 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.122 -9.630 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.874 -8.169 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.828 -8.044 -4.213 1.00 0.00 H new ATOM 683 N TYR A 47 -6.755 -7.196 -2.481 1.00 0.00 N ATOM 684 CA TYR A 47 -7.781 -7.139 -1.418 1.00 0.00 C ATOM 685 C TYR A 47 -9.155 -7.665 -1.860 1.00 0.00 C ATOM 686 O TYR A 47 -9.548 -7.485 -3.005 1.00 0.00 O ATOM 687 CB TYR A 47 -7.914 -5.690 -0.914 1.00 0.00 C ATOM 688 CG TYR A 47 -8.527 -4.753 -1.941 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.734 -4.290 -3.006 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.894 -4.409 -1.889 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.288 -3.483 -4.007 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.464 -3.620 -2.911 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.658 -3.158 -3.977 1.00 0.00 C ATOM 694 OH TYR A 47 -10.183 -2.445 -5.009 1.00 0.00 O ATOM 0 H TYR A 47 -7.053 -6.746 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.443 -7.798 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.526 -5.681 -0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.929 -5.318 -0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.689 -4.559 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.505 -4.750 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.663 -3.109 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.514 -3.370 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.139 -2.297 -4.851 1.00 0.00 H new ATOM 704 N ASN A 48 -9.934 -8.281 -0.971 1.00 0.00 N ATOM 705 CA ASN A 48 -11.266 -8.800 -1.284 1.00 0.00 C ATOM 706 C ASN A 48 -12.366 -7.746 -1.066 1.00 0.00 C ATOM 707 O ASN A 48 -12.325 -6.975 -0.106 1.00 0.00 O ATOM 708 CB ASN A 48 -11.539 -10.062 -0.456 1.00 0.00 C ATOM 709 CG ASN A 48 -12.845 -10.707 -0.906 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.894 -10.516 -0.308 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.822 -11.400 -2.027 1.00 0.00 N ATOM 0 H ASN A 48 -9.655 -8.436 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.287 -9.056 -2.343 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.716 -10.768 -0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.595 -9.808 0.602 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.687 -11.785 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.939 -11.551 -2.515 1.00 0.00 H new ATOM 780 N PRO A 54 -10.044 1.322 -3.788 1.00 0.00 N ATOM 781 CA PRO A 54 -8.613 1.418 -3.484 1.00 0.00 C ATOM 782 C PRO A 54 -8.255 2.447 -2.396 1.00 0.00 C ATOM 783 O PRO A 54 -7.144 2.399 -1.872 1.00 0.00 O ATOM 784 CB PRO A 54 -7.987 1.832 -4.821 1.00 0.00 C ATOM 785 CG PRO A 54 -9.044 2.751 -5.429 1.00 0.00 C ATOM 786 CD PRO A 54 -10.345 2.072 -5.005 1.00 0.00 C ATOM 0 HA PRO A 54 -8.250 0.473 -3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.038 2.348 -4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.789 0.970 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.971 3.768 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.953 2.815 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.126 2.810 -4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.710 1.409 -5.789 1.00 0.00 H new ATOM 794 N GLU A 55 -9.143 3.395 -2.058 1.00 0.00 N ATOM 795 CA GLU A 55 -8.784 4.547 -1.210 1.00 0.00 C ATOM 796 C GLU A 55 -8.375 4.137 0.216 1.00 0.00 C ATOM 797 O GLU A 55 -7.462 4.723 0.793 1.00 0.00 O ATOM 798 CB GLU A 55 -9.937 5.573 -1.223 1.00 0.00 C ATOM 799 CG GLU A 55 -9.488 7.048 -1.277 1.00 0.00 C ATOM 800 CD GLU A 55 -9.111 7.690 0.059 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.472 7.164 1.130 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.506 8.788 0.054 1.00 0.00 O ATOM 0 H GLU A 55 -10.118 3.388 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.895 5.017 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.576 5.370 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.546 5.425 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.630 7.120 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.291 7.634 -1.724 1.00 0.00 H new ATOM 809 N SER A 56 -8.964 3.069 0.759 1.00 0.00 N ATOM 810 CA SER A 56 -8.693 2.584 2.107 1.00 0.00 C ATOM 811 C SER A 56 -7.341 1.870 2.226 1.00 0.00 C ATOM 812 O SER A 56 -6.729 1.883 3.294 1.00 0.00 O ATOM 813 CB SER A 56 -9.795 1.612 2.522 1.00 0.00 C ATOM 814 OG SER A 56 -11.080 1.998 2.056 1.00 0.00 O ATOM 0 H SER A 56 -9.656 2.509 0.261 1.00 0.00 H new ATOM 0 HA SER A 56 -8.664 3.457 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.559 0.619 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.816 1.538 3.609 1.00 0.00 H new ATOM 0 HG SER A 56 -11.745 1.341 2.349 1.00 0.00 H new ATOM 820 N LEU A 57 -6.847 1.254 1.140 1.00 0.00 N ATOM 821 CA LEU A 57 -5.481 0.734 1.120 1.00 0.00 C ATOM 822 C LEU A 57 -4.473 1.884 1.083 1.00 0.00 C ATOM 823 O LEU A 57 -3.577 1.893 1.921 1.00 0.00 O ATOM 824 CB LEU A 57 -5.258 -0.213 -0.056 1.00 0.00 C ATOM 825 CG LEU A 57 -6.209 -1.418 -0.188 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.753 -2.207 -1.422 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.235 -2.346 1.037 1.00 0.00 C ATOM 0 H LEU A 57 -7.370 1.108 0.277 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.329 0.163 2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.324 0.370 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.239 -0.594 0.007 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.226 -1.037 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.399 -3.074 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.811 -1.569 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.724 -2.539 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.930 -3.166 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.237 -2.748 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.557 -1.783 1.913 1.00 0.00 H new ATOM 839 N ARG A 58 -4.655 2.888 0.203 1.00 0.00 N ATOM 840 CA ARG A 58 -3.875 4.135 0.242 1.00 0.00 C ATOM 841 C ARG A 58 -3.776 4.668 1.672 1.00 0.00 C ATOM 842 O ARG A 58 -2.684 4.906 2.178 1.00 0.00 O ATOM 843 CB ARG A 58 -4.494 5.197 -0.686 1.00 0.00 C ATOM 844 CG ARG A 58 -4.058 6.621 -0.309 1.00 0.00 C ATOM 845 CD ARG A 58 -4.349 7.701 -1.344 1.00 0.00 C ATOM 846 NE ARG A 58 -4.233 9.014 -0.687 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.242 9.824 -0.423 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.338 9.794 -1.141 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.160 10.639 0.599 1.00 0.00 N ATOM 0 H ARG A 58 -5.343 2.856 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.868 3.914 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.204 4.991 -1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.581 5.128 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.551 6.896 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.986 6.612 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.648 7.629 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.349 7.571 -1.758 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.300 9.322 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.421 9.138 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.108 10.427 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.323 10.644 1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.933 11.269 0.812 1.00 0.00 H new ATOM 863 N LYS A 59 -4.923 4.835 2.322 1.00 0.00 N ATOM 864 CA LYS A 59 -5.030 5.251 3.720 1.00 0.00 C ATOM 865 C LYS A 59 -4.293 4.348 4.716 1.00 0.00 C ATOM 866 O LYS A 59 -3.679 4.886 5.630 1.00 0.00 O ATOM 867 CB LYS A 59 -6.521 5.390 4.064 1.00 0.00 C ATOM 868 CG LYS A 59 -6.981 6.849 4.136 1.00 0.00 C ATOM 869 CD LYS A 59 -6.644 7.689 2.894 1.00 0.00 C ATOM 870 CE LYS A 59 -7.233 9.096 3.011 1.00 0.00 C ATOM 871 NZ LYS A 59 -8.702 9.070 2.848 1.00 0.00 N ATOM 0 H LYS A 59 -5.830 4.681 1.881 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.520 6.209 3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.112 4.864 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.715 4.905 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.060 6.869 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.526 7.317 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.562 7.752 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.035 7.200 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.979 9.521 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.791 9.743 2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.983 9.760 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.002 8.118 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.156 9.313 3.752 1.00 0.00 H new ATOM 885 N ALA A 60 -4.270 3.025 4.540 1.00 0.00 N ATOM 886 CA ALA A 60 -3.436 2.156 5.373 1.00 0.00 C ATOM 887 C ALA A 60 -1.937 2.443 5.180 1.00 0.00 C ATOM 888 O ALA A 60 -1.178 2.412 6.144 1.00 0.00 O ATOM 889 CB ALA A 60 -3.792 0.703 5.066 1.00 0.00 C ATOM 0 H ALA A 60 -4.816 2.534 3.832 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.638 2.358 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.180 0.041 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.845 0.532 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.606 0.498 4.012 1.00 0.00 H new ATOM 895 N ILE A 61 -1.516 2.802 3.961 1.00 0.00 N ATOM 896 CA ILE A 61 -0.140 3.240 3.679 1.00 0.00 C ATOM 897 C ILE A 61 0.112 4.626 4.306 1.00 0.00 C ATOM 898 O ILE A 61 1.049 4.773 5.086 1.00 0.00 O ATOM 899 CB ILE A 61 0.200 3.194 2.161 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.199 1.885 1.454 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.708 3.421 1.970 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.098 1.908 -0.076 1.00 0.00 C ATOM 0 H ILE A 61 -2.120 2.798 3.139 1.00 0.00 H new ATOM 0 HA ILE A 61 0.545 2.532 4.146 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.392 3.985 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.433 1.081 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.225 1.641 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.949 3.389 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.984 4.394 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.262 2.641 2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.401 0.940 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.752 2.684 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.931 2.116 -0.370 1.00 0.00 H new ATOM 914 N GLU A 62 -0.745 5.628 4.080 1.00 0.00 N ATOM 915 CA GLU A 62 -0.634 6.941 4.727 1.00 0.00 C ATOM 916 C GLU A 62 -0.678 6.846 6.265 1.00 0.00 C ATOM 917 O GLU A 62 -0.185 7.748 6.930 1.00 0.00 O ATOM 918 CB GLU A 62 -1.707 7.921 4.203 1.00 0.00 C ATOM 919 CG GLU A 62 -1.539 8.227 2.707 1.00 0.00 C ATOM 920 CD GLU A 62 -2.483 9.271 2.098 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.628 9.444 2.563 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.126 9.874 1.054 1.00 0.00 O ATOM 0 H GLU A 62 -1.537 5.551 3.442 1.00 0.00 H new ATOM 0 HA GLU A 62 0.346 7.336 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.697 7.498 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.654 8.851 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.514 8.561 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.663 7.295 2.155 1.00 0.00 H new ATOM 929 N ALA A 63 -1.185 5.748 6.843 1.00 0.00 N ATOM 930 CA ALA A 63 -1.186 5.482 8.284 1.00 0.00 C ATOM 931 C ALA A 63 0.050 4.745 8.841 1.00 0.00 C ATOM 932 O ALA A 63 0.115 4.543 10.053 1.00 0.00 O ATOM 933 CB ALA A 63 -2.491 4.757 8.641 1.00 0.00 C ATOM 0 H ALA A 63 -1.618 4.999 6.302 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.125 6.453 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.511 4.550 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.341 5.387 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.549 3.819 8.089 1.00 0.00 H new ATOM 939 N VAL A 64 1.035 4.405 8.002 1.00 0.00 N ATOM 940 CA VAL A 64 2.323 3.830 8.445 1.00 0.00 C ATOM 941 C VAL A 64 3.342 4.928 8.728 1.00 0.00 C ATOM 942 O VAL A 64 4.072 4.865 9.714 1.00 0.00 O ATOM 943 CB VAL A 64 2.890 2.778 7.464 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.748 3.252 6.310 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.776 1.776 8.219 1.00 0.00 C ATOM 0 H VAL A 64 0.967 4.519 6.991 1.00 0.00 H new ATOM 0 HA VAL A 64 2.119 3.298 9.374 1.00 0.00 H new ATOM 0 HB VAL A 64 1.973 2.375 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.066 2.395 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.172 3.933 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.625 3.770 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.170 1.039 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.603 2.306 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.185 1.271 8.983 1.00 0.00 H new ATOM 955 N SER A 65 3.321 5.985 7.911 1.00 0.00 N ATOM 956 CA SER A 65 4.079 7.203 8.179 1.00 0.00 C ATOM 957 C SER A 65 3.275 8.468 7.813 1.00 0.00 C ATOM 958 O SER A 65 3.578 9.152 6.827 1.00 0.00 O ATOM 959 CB SER A 65 5.484 7.161 7.570 1.00 0.00 C ATOM 960 OG SER A 65 6.025 5.867 7.396 1.00 0.00 O ATOM 0 H SER A 65 2.778 6.017 7.048 1.00 0.00 H new ATOM 0 HA SER A 65 4.241 7.258 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.458 7.660 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.156 7.736 8.207 1.00 0.00 H new ATOM 0 HG SER A 65 6.136 5.685 6.440 1.00 0.00 H new ATOM 966 N PRO A 66 2.224 8.776 8.598 1.00 0.00 N ATOM 967 CA PRO A 66 1.373 9.946 8.415 1.00 0.00 C ATOM 968 C PRO A 66 2.167 11.246 8.498 1.00 0.00 C ATOM 969 O PRO A 66 3.016 11.427 9.369 1.00 0.00 O ATOM 970 CB PRO A 66 0.267 9.855 9.476 1.00 0.00 C ATOM 971 CG PRO A 66 0.791 8.833 10.486 1.00 0.00 C ATOM 972 CD PRO A 66 1.648 7.919 9.620 1.00 0.00 C ATOM 0 HA PRO A 66 0.934 9.957 7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.087 10.822 9.946 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.678 9.533 9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.374 9.306 11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.020 8.289 10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.426 7.436 10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.048 7.126 9.174 1.00 0.00 H new ATOM 980 N GLY A 67 1.884 12.143 7.546 1.00 0.00 N ATOM 981 CA GLY A 67 2.590 13.415 7.348 1.00 0.00 C ATOM 982 C GLY A 67 3.877 13.297 6.521 1.00 0.00 C ATOM 983 O GLY A 67 4.357 14.308 6.019 1.00 0.00 O ATOM 0 H GLY A 67 1.133 11.999 6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.918 14.118 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.835 13.837 8.323 1.00 0.00 H new ATOM 987 N LEU A 68 4.419 12.083 6.367 1.00 0.00 N ATOM 988 CA LEU A 68 5.649 11.782 5.623 1.00 0.00 C ATOM 989 C LEU A 68 5.368 11.114 4.263 1.00 0.00 C ATOM 990 O LEU A 68 6.190 11.179 3.358 1.00 0.00 O ATOM 991 CB LEU A 68 6.508 10.901 6.552 1.00 0.00 C ATOM 992 CG LEU A 68 7.898 10.505 6.023 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.776 11.717 5.697 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.608 9.671 7.091 1.00 0.00 C ATOM 0 H LEU A 68 3.996 11.249 6.774 1.00 0.00 H new ATOM 0 HA LEU A 68 6.179 12.698 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.639 11.427 7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.952 9.989 6.769 1.00 0.00 H new ATOM 0 HG LEU A 68 7.749 9.945 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.744 11.377 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.290 12.324 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.920 12.314 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.595 9.382 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.712 10.260 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.023 8.776 7.302 1.00 0.00 H new ATOM 1006 N TYR A 69 4.216 10.457 4.105 1.00 0.00 N ATOM 1007 CA TYR A 69 3.891 9.591 2.960 1.00 0.00 C ATOM 1008 C TYR A 69 2.948 10.222 1.904 1.00 0.00 C ATOM 1009 O TYR A 69 1.734 10.343 2.100 1.00 0.00 O ATOM 1010 CB TYR A 69 3.284 8.296 3.524 1.00 0.00 C ATOM 1011 CG TYR A 69 4.243 7.156 3.815 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.603 7.351 4.128 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.755 5.846 3.694 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.432 6.241 4.382 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.598 4.742 3.818 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.935 4.928 4.225 1.00 0.00 C ATOM 1017 OH TYR A 69 6.713 3.852 4.519 1.00 0.00 O ATOM 0 H TYR A 69 3.460 10.512 4.787 1.00 0.00 H new ATOM 0 HA TYR A 69 4.816 9.410 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.759 8.542 4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.535 7.937 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.009 8.351 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.704 5.689 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.453 6.395 4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.229 3.750 3.603 1.00 0.00 H new ATOM 0 HH TYR A 69 6.209 3.028 4.353 1.00 0.00 H new ATOM 1027 N ARG A 70 3.456 10.511 0.696 1.00 0.00 N ATOM 1028 CA ARG A 70 2.702 11.112 -0.425 1.00 0.00 C ATOM 1029 C ARG A 70 1.870 10.111 -1.259 1.00 0.00 C ATOM 1030 O ARG A 70 1.869 10.136 -2.490 1.00 0.00 O ATOM 1031 CB ARG A 70 3.640 11.923 -1.335 1.00 0.00 C ATOM 1032 CG ARG A 70 3.072 13.227 -1.912 1.00 0.00 C ATOM 1033 CD ARG A 70 1.594 13.293 -2.345 1.00 0.00 C ATOM 1034 NE ARG A 70 0.642 13.267 -1.208 1.00 0.00 N ATOM 1035 CZ ARG A 70 -0.371 12.411 -1.048 1.00 0.00 C ATOM 1036 NH1 ARG A 70 -0.890 11.749 -2.056 1.00 0.00 N ATOM 1037 NH2 ARG A 70 -0.850 12.161 0.153 1.00 0.00 N ATOM 0 H ARG A 70 4.432 10.329 0.461 1.00 0.00 H new ATOM 0 HA ARG A 70 1.972 11.773 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.541 12.163 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.945 11.286 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.228 14.007 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.677 13.489 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.433 14.204 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.380 12.454 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 70 0.773 13.969 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.520 11.881 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.663 11.103 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.447 12.622 0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.624 11.506 0.267 1.00 0.00 H new ATOM 1051 N VAL A 71 1.142 9.228 -0.597 1.00 0.00 N ATOM 1052 CA VAL A 71 0.520 8.042 -1.226 1.00 0.00 C ATOM 1053 C VAL A 71 -0.517 8.365 -2.293 1.00 0.00 C ATOM 1054 O VAL A 71 -1.504 9.055 -2.057 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.096 7.037 -0.247 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.462 5.711 -0.935 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.871 6.743 0.896 1.00 0.00 C ATOM 0 H VAL A 71 0.955 9.302 0.403 1.00 0.00 H new ATOM 0 HA VAL A 71 1.384 7.576 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.008 7.493 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.895 5.029 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.186 5.900 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.435 5.263 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.417 6.027 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.794 6.325 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.094 7.666 1.431 1.00 0.00 H new ATOM 1067 N SER A 72 -0.279 7.817 -3.474 1.00 0.00 N ATOM 1068 CA SER A 72 -0.991 8.110 -4.707 1.00 0.00 C ATOM 1069 C SER A 72 -1.189 6.808 -5.507 1.00 0.00 C ATOM 1070 O SER A 72 -0.441 5.851 -5.331 1.00 0.00 O ATOM 1071 CB SER A 72 -0.166 9.146 -5.484 1.00 0.00 C ATOM 1072 OG SER A 72 0.094 10.306 -4.695 1.00 0.00 O ATOM 0 H SER A 72 0.454 7.120 -3.605 1.00 0.00 H new ATOM 0 HA SER A 72 -1.982 8.520 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.777 8.700 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.700 9.433 -6.390 1.00 0.00 H new ATOM 0 HG SER A 72 0.746 10.087 -3.997 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.193 6.728 -6.380 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.428 5.561 -7.256 1.00 0.00 C ATOM 1080 C ILE A 73 -1.672 5.812 -8.565 1.00 0.00 C ATOM 1081 O ILE A 73 -1.756 6.905 -9.114 1.00 0.00 O ATOM 1082 CB ILE A 73 -3.950 5.351 -7.467 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.659 5.145 -6.106 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.219 4.143 -8.383 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.175 4.925 -6.177 1.00 0.00 C ATOM 0 H ILE A 73 -2.877 7.474 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.057 4.639 -6.808 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.349 6.245 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.208 4.287 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.465 6.016 -5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.294 4.018 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.752 4.311 -9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.802 3.243 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.571 4.792 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.647 5.791 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.386 4.036 -6.771 1.00 0.00 H new ATOM 1097 N THR A 74 -0.896 4.833 -9.042 1.00 0.00 N ATOM 1098 CA THR A 74 0.064 4.996 -10.151 1.00 0.00 C ATOM 1099 C THR A 74 -0.371 4.253 -11.411 1.00 0.00 C ATOM 1100 O THR A 74 0.322 3.365 -11.899 1.00 0.00 O ATOM 1101 CB THR A 74 1.473 4.673 -9.638 1.00 0.00 C ATOM 1102 OG1 THR A 74 2.409 4.791 -10.672 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.635 3.295 -8.993 1.00 0.00 C ATOM 0 H THR A 74 -0.914 3.886 -8.664 1.00 0.00 H new ATOM 0 HA THR A 74 0.086 6.033 -10.485 1.00 0.00 H new ATOM 0 HB THR A 74 1.647 5.406 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.115 4.261 -11.442 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.666 3.166 -8.664 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.968 3.214 -8.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.386 2.522 -9.720 1.00 0.00 H new