USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.167 K(o=-0.18,f=0.71) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.412 K(o=0.41,f=-9.4!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 178:sc= 0.821 (180deg=0) USER MOD Single : A 0 SER OG : rot 42:sc= 0.109 USER MOD Single : A 1 ASN : amide:sc=-0.00338 X(o=-0.0034,f=0) USER MOD Single : A 2 THR OG1 : rot -43:sc= 0.0608 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -145:sc= 0.00268 (180deg=0) USER MOD Single : A 20 MET CE :methyl 138:sc= -1.49 (180deg=-1.77) USER MOD Single : A 21 MET CE :methyl -123:sc= -2.07 (180deg=-2.62!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-0.018) USER MOD Single : A 47 ASN : amide:sc= 0.244 K(o=0.24,f=-3.1!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0153 (180deg=-0.155) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 84:sc= 0.938 USER MOD Single : A 60 ASN : amide:sc=-0.00613 X(o=-0.0061,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -1.133 1.676 23.593 1.00 0.00 N ATOM 2 CA GLY A -3 -1.808 1.261 22.366 1.00 0.00 C ATOM 3 C GLY A -3 -0.835 0.603 21.429 1.00 0.00 C ATOM 4 O GLY A -3 -0.101 -0.299 21.831 1.00 0.00 O ATOM 0 H1 GLY A -3 -1.780 1.565 24.400 1.00 0.00 H new ATOM 0 H2 GLY A -3 -0.290 1.086 23.742 1.00 0.00 H new ATOM 0 H3 GLY A -3 -0.848 2.673 23.512 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -2.617 0.570 22.604 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -2.260 2.126 21.882 1.00 0.00 H new ATOM 10 N SER A -2 -0.793 1.051 20.199 1.00 0.00 N ATOM 11 CA SER A -2 0.101 0.493 19.221 1.00 0.00 C ATOM 12 C SER A -2 1.071 1.552 18.711 1.00 0.00 C ATOM 13 O SER A -2 0.659 2.548 18.122 1.00 0.00 O ATOM 14 CB SER A -2 -0.698 -0.109 18.057 1.00 0.00 C ATOM 15 OG SER A -2 -1.578 -1.139 18.516 1.00 0.00 O ATOM 0 H SER A -2 -1.377 1.811 19.850 1.00 0.00 H new ATOM 0 HA SER A -2 0.681 -0.299 19.694 1.00 0.00 H new ATOM 0 HB2 SER A -2 -1.275 0.674 17.564 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.013 -0.516 17.313 1.00 0.00 H new ATOM 0 HG SER A -2 -2.077 -1.505 17.756 1.00 0.00 H new ATOM 21 N ALA A -1 2.351 1.324 18.936 1.00 0.00 N ATOM 22 CA ALA A -1 3.426 2.203 18.462 1.00 0.00 C ATOM 23 C ALA A -1 3.955 1.629 17.139 1.00 0.00 C ATOM 24 O ALA A -1 5.159 1.633 16.848 1.00 0.00 O ATOM 25 CB ALA A -1 4.529 2.261 19.511 1.00 0.00 C ATOM 0 H ALA A -1 2.687 0.515 19.459 1.00 0.00 H new ATOM 0 HA ALA A -1 3.062 3.217 18.299 1.00 0.00 H new ATOM 0 HB1 ALA A -1 5.329 2.913 19.162 1.00 0.00 H new ATOM 0 HB2 ALA A -1 4.123 2.652 20.444 1.00 0.00 H new ATOM 0 HB3 ALA A -1 4.925 1.259 19.679 1.00 0.00 H new ATOM 31 N SER A 0 3.020 1.185 16.346 1.00 0.00 N ATOM 32 CA SER A 0 3.248 0.509 15.117 1.00 0.00 C ATOM 33 C SER A 0 3.755 1.429 14.026 1.00 0.00 C ATOM 34 O SER A 0 3.138 2.461 13.721 1.00 0.00 O ATOM 35 CB SER A 0 1.934 -0.140 14.717 1.00 0.00 C ATOM 36 OG SER A 0 0.855 0.779 14.904 1.00 0.00 O ATOM 0 H SER A 0 2.029 1.295 16.559 1.00 0.00 H new ATOM 0 HA SER A 0 4.032 -0.236 15.252 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.977 -0.455 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.766 -1.037 15.314 1.00 0.00 H new ATOM 0 HG SER A 0 1.127 1.669 14.598 1.00 0.00 H new ATOM 42 N ASN A 1 4.863 1.063 13.435 1.00 0.00 N ATOM 43 CA ASN A 1 5.403 1.796 12.321 1.00 0.00 C ATOM 44 C ASN A 1 4.828 1.191 11.059 1.00 0.00 C ATOM 45 O ASN A 1 5.452 0.383 10.362 1.00 0.00 O ATOM 46 CB ASN A 1 6.951 1.810 12.324 1.00 0.00 C ATOM 47 CG ASN A 1 7.572 2.603 11.160 1.00 0.00 C ATOM 48 OD1 ASN A 1 7.756 3.817 11.251 1.00 0.00 O ATOM 49 ND2 ASN A 1 7.935 1.926 10.102 1.00 0.00 N ATOM 0 H ASN A 1 5.414 0.251 13.712 1.00 0.00 H new ATOM 0 HA ASN A 1 5.118 2.846 12.388 1.00 0.00 H new ATOM 0 HB2 ASN A 1 7.298 2.235 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 1 7.314 0.783 12.285 1.00 0.00 H new ATOM 0 HD21 ASN A 1 8.385 2.403 9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 1 7.768 0.921 10.058 1.00 0.00 H new ATOM 56 N THR A 2 3.579 1.463 10.886 1.00 0.00 N ATOM 57 CA THR A 2 2.842 1.010 9.773 1.00 0.00 C ATOM 58 C THR A 2 2.811 2.090 8.712 1.00 0.00 C ATOM 59 O THR A 2 2.325 3.204 8.935 1.00 0.00 O ATOM 60 CB THR A 2 1.415 0.603 10.192 1.00 0.00 C ATOM 61 OG1 THR A 2 1.488 -0.495 11.134 1.00 0.00 O ATOM 62 CG2 THR A 2 0.598 0.183 8.984 1.00 0.00 C ATOM 0 H THR A 2 3.033 2.024 11.540 1.00 0.00 H new ATOM 0 HA THR A 2 3.327 0.126 9.359 1.00 0.00 H new ATOM 0 HB THR A 2 0.928 1.461 10.656 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.158 -1.142 10.830 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.405 -0.100 9.304 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.534 1.014 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.077 -0.667 8.498 1.00 0.00 H new ATOM 70 N ILE A 3 3.345 1.760 7.590 1.00 0.00 N ATOM 71 CA ILE A 3 3.434 2.648 6.478 1.00 0.00 C ATOM 72 C ILE A 3 2.621 2.082 5.316 1.00 0.00 C ATOM 73 O ILE A 3 3.020 1.111 4.686 1.00 0.00 O ATOM 74 CB ILE A 3 4.936 2.909 6.104 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.092 3.638 4.744 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.778 1.625 6.199 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.532 3.974 4.370 1.00 0.00 C ATOM 0 H ILE A 3 3.745 0.839 7.412 1.00 0.00 H new ATOM 0 HA ILE A 3 3.009 3.618 6.735 1.00 0.00 H new ATOM 0 HB ILE A 3 5.336 3.596 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.662 3.014 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.512 4.560 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.811 1.847 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.741 1.240 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.379 0.877 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.548 4.482 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.963 4.625 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.115 3.055 4.306 1.00 0.00 H new ATOM 89 N LEU A 4 1.436 2.656 5.104 1.00 0.00 N ATOM 90 CA LEU A 4 0.518 2.216 4.068 1.00 0.00 C ATOM 91 C LEU A 4 1.168 2.313 2.700 1.00 0.00 C ATOM 92 O LEU A 4 1.471 3.409 2.220 1.00 0.00 O ATOM 93 CB LEU A 4 -0.768 3.050 4.093 1.00 0.00 C ATOM 94 CG LEU A 4 -1.549 3.095 5.417 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.852 3.865 5.254 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.805 1.696 5.963 1.00 0.00 C ATOM 0 H LEU A 4 1.090 3.443 5.653 1.00 0.00 H new ATOM 0 HA LEU A 4 0.265 1.174 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.513 4.073 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.434 2.667 3.320 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.933 3.623 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.386 3.882 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.634 4.886 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.470 3.378 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.359 1.766 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.386 1.124 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.853 1.195 6.141 1.00 0.00 H new ATOM 108 N GLY A 5 1.395 1.178 2.100 1.00 0.00 N ATOM 109 CA GLY A 5 2.053 1.136 0.830 1.00 0.00 C ATOM 110 C GLY A 5 3.382 0.421 0.912 1.00 0.00 C ATOM 111 O GLY A 5 3.891 -0.061 -0.086 1.00 0.00 O ATOM 0 H GLY A 5 1.131 0.267 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.413 0.633 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.208 2.152 0.467 1.00 0.00 H new ATOM 115 N ASP A 6 3.943 0.341 2.095 1.00 0.00 N ATOM 116 CA ASP A 6 5.194 -0.332 2.280 1.00 0.00 C ATOM 117 C ASP A 6 4.984 -1.531 3.170 1.00 0.00 C ATOM 118 O ASP A 6 5.037 -1.466 4.392 1.00 0.00 O ATOM 119 CB ASP A 6 6.264 0.619 2.788 1.00 0.00 C ATOM 120 CG ASP A 6 7.572 -0.050 3.042 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.024 -0.840 2.194 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.201 0.231 4.060 1.00 0.00 O ATOM 0 H ASP A 6 3.545 0.739 2.946 1.00 0.00 H new ATOM 0 HA ASP A 6 5.565 -0.694 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.407 1.417 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.917 1.087 3.710 1.00 0.00 H new ATOM 127 N LEU A 7 4.687 -2.605 2.512 1.00 0.00 N ATOM 128 CA LEU A 7 4.278 -3.853 3.094 1.00 0.00 C ATOM 129 C LEU A 7 5.449 -4.635 3.636 1.00 0.00 C ATOM 130 O LEU A 7 5.343 -5.292 4.664 1.00 0.00 O ATOM 131 CB LEU A 7 3.534 -4.700 2.047 1.00 0.00 C ATOM 132 CG LEU A 7 2.104 -4.273 1.622 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.038 -2.895 1.000 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.563 -5.266 0.654 1.00 0.00 C ATOM 0 H LEU A 7 4.724 -2.642 1.493 1.00 0.00 H new ATOM 0 HA LEU A 7 3.615 -3.623 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.150 -4.731 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.475 -5.719 2.428 1.00 0.00 H new ATOM 0 HG LEU A 7 1.508 -4.236 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.007 -2.667 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.397 -2.155 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.662 -2.869 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.558 -4.970 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.208 -5.307 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.526 -6.249 1.123 1.00 0.00 H new ATOM 146 N ASN A 8 6.561 -4.573 2.944 1.00 0.00 N ATOM 147 CA ASN A 8 7.747 -5.329 3.347 1.00 0.00 C ATOM 148 C ASN A 8 8.607 -4.543 4.306 1.00 0.00 C ATOM 149 O ASN A 8 9.610 -5.061 4.810 1.00 0.00 O ATOM 150 CB ASN A 8 8.564 -5.826 2.133 1.00 0.00 C ATOM 151 CG ASN A 8 9.197 -4.727 1.310 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.709 -3.606 1.240 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.236 -5.045 0.637 1.00 0.00 N ATOM 0 H ASN A 8 6.681 -4.012 2.100 1.00 0.00 H new ATOM 0 HA ASN A 8 7.391 -6.215 3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.349 -6.494 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.911 -6.415 1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.677 -4.358 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.624 -5.985 0.712 1.00 0.00 H new ATOM 160 N ASP A 9 8.190 -3.299 4.562 1.00 0.00 N ATOM 161 CA ASP A 9 8.856 -2.400 5.505 1.00 0.00 C ATOM 162 C ASP A 9 10.298 -2.132 5.098 1.00 0.00 C ATOM 163 O ASP A 9 11.252 -2.629 5.697 1.00 0.00 O ATOM 164 CB ASP A 9 8.703 -2.845 6.985 1.00 0.00 C ATOM 165 CG ASP A 9 9.384 -1.924 8.009 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.857 -0.828 8.314 1.00 0.00 O ATOM 167 OD2 ASP A 9 10.441 -2.302 8.566 1.00 0.00 O ATOM 0 H ASP A 9 7.372 -2.885 4.115 1.00 0.00 H new ATOM 0 HA ASP A 9 8.336 -1.443 5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.641 -2.907 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.113 -3.849 7.092 1.00 0.00 H new ATOM 172 N ASP A 10 10.442 -1.502 3.971 1.00 0.00 N ATOM 173 CA ASP A 10 11.748 -1.139 3.473 1.00 0.00 C ATOM 174 C ASP A 10 11.863 0.375 3.299 1.00 0.00 C ATOM 175 O ASP A 10 12.904 0.897 2.904 1.00 0.00 O ATOM 176 CB ASP A 10 12.162 -1.935 2.203 1.00 0.00 C ATOM 177 CG ASP A 10 11.299 -1.740 0.971 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.339 -2.599 0.070 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.506 -0.797 0.887 1.00 0.00 O ATOM 0 H ASP A 10 9.667 -1.224 3.369 1.00 0.00 H new ATOM 0 HA ASP A 10 12.475 -1.433 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.186 -1.663 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.167 -2.996 2.452 1.00 0.00 H new ATOM 184 N GLY A 11 10.779 1.068 3.621 1.00 0.00 N ATOM 185 CA GLY A 11 10.771 2.513 3.638 1.00 0.00 C ATOM 186 C GLY A 11 10.331 3.150 2.350 1.00 0.00 C ATOM 187 O GLY A 11 10.346 4.385 2.229 1.00 0.00 O ATOM 0 H GLY A 11 9.888 0.641 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.113 2.850 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.774 2.866 3.879 1.00 0.00 H new ATOM 191 N VAL A 12 9.921 2.359 1.399 1.00 0.00 N ATOM 192 CA VAL A 12 9.572 2.888 0.103 1.00 0.00 C ATOM 193 C VAL A 12 8.546 2.005 -0.615 1.00 0.00 C ATOM 194 O VAL A 12 8.572 0.771 -0.485 1.00 0.00 O ATOM 195 CB VAL A 12 10.879 3.084 -0.764 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.690 1.797 -0.848 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.579 3.623 -2.157 1.00 0.00 C ATOM 0 H VAL A 12 9.819 1.348 1.492 1.00 0.00 H new ATOM 0 HA VAL A 12 9.098 3.860 0.244 1.00 0.00 H new ATOM 0 HB VAL A 12 11.479 3.835 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.582 1.968 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.984 1.486 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.085 1.015 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.511 3.739 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.928 2.926 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.083 4.590 -2.074 1.00 0.00 H new ATOM 207 N VAL A 13 7.603 2.637 -1.303 1.00 0.00 N ATOM 208 CA VAL A 13 6.675 1.933 -2.142 1.00 0.00 C ATOM 209 C VAL A 13 7.402 1.453 -3.415 1.00 0.00 C ATOM 210 O VAL A 13 7.727 2.243 -4.317 1.00 0.00 O ATOM 211 CB VAL A 13 5.412 2.797 -2.474 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.590 3.013 -1.223 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.781 4.156 -3.064 1.00 0.00 C ATOM 0 H VAL A 13 7.470 3.648 -1.287 1.00 0.00 H new ATOM 0 HA VAL A 13 6.304 1.062 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 13 4.836 2.248 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.714 3.615 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.271 2.049 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.192 3.531 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.872 4.719 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.391 4.709 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.344 4.012 -3.986 1.00 0.00 H new ATOM 223 N ASN A 14 7.763 0.193 -3.401 1.00 0.00 N ATOM 224 CA ASN A 14 8.486 -0.441 -4.485 1.00 0.00 C ATOM 225 C ASN A 14 7.786 -1.688 -4.987 1.00 0.00 C ATOM 226 O ASN A 14 6.764 -2.105 -4.437 1.00 0.00 O ATOM 227 CB ASN A 14 9.963 -0.740 -4.148 1.00 0.00 C ATOM 228 CG ASN A 14 10.202 -1.489 -2.842 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.316 -2.148 -2.264 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.408 -1.461 -2.400 1.00 0.00 N ATOM 0 H ASN A 14 7.561 -0.435 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 14 8.491 0.293 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.392 -1.322 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.506 0.204 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.656 -1.985 -1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.118 -0.915 -2.889 1.00 0.00 H new ATOM 237 N GLY A 15 8.383 -2.328 -5.992 1.00 0.00 N ATOM 238 CA GLY A 15 7.810 -3.521 -6.602 1.00 0.00 C ATOM 239 C GLY A 15 7.742 -4.706 -5.648 1.00 0.00 C ATOM 240 O GLY A 15 6.918 -5.614 -5.828 1.00 0.00 O ATOM 0 H GLY A 15 9.270 -2.035 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.806 -3.292 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.404 -3.797 -7.473 1.00 0.00 H new ATOM 244 N ARG A 16 8.588 -4.683 -4.625 1.00 0.00 N ATOM 245 CA ARG A 16 8.644 -5.737 -3.607 1.00 0.00 C ATOM 246 C ARG A 16 7.324 -5.796 -2.843 1.00 0.00 C ATOM 247 O ARG A 16 6.887 -6.857 -2.414 1.00 0.00 O ATOM 248 CB ARG A 16 9.757 -5.454 -2.600 1.00 0.00 C ATOM 249 CG ARG A 16 11.115 -5.157 -3.199 1.00 0.00 C ATOM 250 CD ARG A 16 11.629 -6.294 -4.049 1.00 0.00 C ATOM 251 NE ARG A 16 12.914 -5.961 -4.664 1.00 0.00 N ATOM 252 CZ ARG A 16 13.403 -6.520 -5.773 1.00 0.00 C ATOM 253 NH1 ARG A 16 12.687 -7.433 -6.435 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.605 -6.173 -6.217 1.00 0.00 N ATOM 0 H ARG A 16 9.260 -3.931 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 16 8.834 -6.682 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.458 -4.607 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.851 -6.314 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.052 -4.253 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.826 -4.955 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.738 -7.188 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.901 -6.527 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 16 13.481 -5.245 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.765 -7.704 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.062 -7.859 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.155 -5.479 -5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.979 -6.600 -7.065 1.00 0.00 H new ATOM 268 N ASP A 17 6.692 -4.640 -2.698 1.00 0.00 N ATOM 269 CA ASP A 17 5.427 -4.521 -1.994 1.00 0.00 C ATOM 270 C ASP A 17 4.333 -5.232 -2.746 1.00 0.00 C ATOM 271 O ASP A 17 3.494 -5.887 -2.141 1.00 0.00 O ATOM 272 CB ASP A 17 5.051 -3.063 -1.779 1.00 0.00 C ATOM 273 CG ASP A 17 6.061 -2.330 -0.941 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.749 -1.436 -1.437 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.295 -2.688 0.214 1.00 0.00 O ATOM 0 H ASP A 17 7.045 -3.757 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 17 5.546 -4.990 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.957 -2.568 -2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.075 -3.009 -1.297 1.00 0.00 H new ATOM 280 N ILE A 18 4.362 -5.103 -4.078 1.00 0.00 N ATOM 281 CA ILE A 18 3.434 -5.793 -5.005 1.00 0.00 C ATOM 282 C ILE A 18 3.428 -7.289 -4.729 1.00 0.00 C ATOM 283 O ILE A 18 2.368 -7.929 -4.687 1.00 0.00 O ATOM 284 CB ILE A 18 3.836 -5.539 -6.519 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.458 -4.142 -7.003 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.233 -6.575 -7.472 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.016 -3.007 -6.233 1.00 0.00 C ATOM 0 H ILE A 18 5.039 -4.509 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 18 2.437 -5.386 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 18 4.922 -5.635 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.777 -4.041 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.371 -4.060 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.541 -6.352 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.583 -7.570 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.146 -6.541 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.678 -2.068 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.677 -3.067 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.105 -3.049 -6.261 1.00 0.00 H new ATOM 299 N VAL A 19 4.614 -7.816 -4.524 1.00 0.00 N ATOM 300 CA VAL A 19 4.815 -9.218 -4.226 1.00 0.00 C ATOM 301 C VAL A 19 4.069 -9.584 -2.948 1.00 0.00 C ATOM 302 O VAL A 19 3.213 -10.454 -2.963 1.00 0.00 O ATOM 303 CB VAL A 19 6.317 -9.537 -4.032 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.558 -11.027 -3.870 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.141 -8.968 -5.167 1.00 0.00 C ATOM 0 H VAL A 19 5.479 -7.276 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 19 4.435 -9.798 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 19 6.638 -9.057 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.624 -11.211 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.015 -11.391 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.208 -11.551 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.193 -9.205 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.810 -9.402 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.015 -7.886 -5.202 1.00 0.00 H new ATOM 315 N MET A 20 4.350 -8.830 -1.884 1.00 0.00 N ATOM 316 CA MET A 20 3.792 -9.060 -0.533 1.00 0.00 C ATOM 317 C MET A 20 2.265 -8.955 -0.556 1.00 0.00 C ATOM 318 O MET A 20 1.562 -9.735 0.095 1.00 0.00 O ATOM 319 CB MET A 20 4.330 -8.007 0.431 1.00 0.00 C ATOM 320 CG MET A 20 5.841 -7.824 0.399 1.00 0.00 C ATOM 321 SD MET A 20 6.773 -9.190 1.108 1.00 0.00 S ATOM 322 CE MET A 20 6.464 -8.946 2.854 1.00 0.00 C ATOM 0 H MET A 20 4.980 -8.029 -1.928 1.00 0.00 H new ATOM 0 HA MET A 20 4.085 -10.059 -0.209 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.858 -7.051 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.032 -8.277 1.444 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.156 -7.684 -0.635 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.095 -6.910 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.273 -9.909 3.328 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.334 -8.480 3.316 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.596 -8.300 2.983 1.00 0.00 H new ATOM 332 N MET A 21 1.787 -7.971 -1.311 1.00 0.00 N ATOM 333 CA MET A 21 0.364 -7.689 -1.532 1.00 0.00 C ATOM 334 C MET A 21 -0.312 -8.941 -2.049 1.00 0.00 C ATOM 335 O MET A 21 -1.226 -9.476 -1.426 1.00 0.00 O ATOM 336 CB MET A 21 0.269 -6.598 -2.611 1.00 0.00 C ATOM 337 CG MET A 21 -1.117 -6.007 -2.941 1.00 0.00 C ATOM 338 SD MET A 21 -1.675 -4.647 -1.877 1.00 0.00 S ATOM 339 CE MET A 21 -2.075 -5.441 -0.347 1.00 0.00 C ATOM 0 H MET A 21 2.398 -7.322 -1.806 1.00 0.00 H new ATOM 0 HA MET A 21 -0.114 -7.368 -0.607 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.916 -5.775 -2.308 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.683 -7.007 -3.533 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.103 -5.653 -3.972 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.854 -6.809 -2.889 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.112 -5.229 -0.087 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.940 -6.518 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.420 -5.067 0.439 1.00 0.00 H new ATOM 349 N ARG A 22 0.224 -9.437 -3.150 1.00 0.00 N ATOM 350 CA ARG A 22 -0.292 -10.592 -3.854 1.00 0.00 C ATOM 351 C ARG A 22 -0.228 -11.870 -3.029 1.00 0.00 C ATOM 352 O ARG A 22 -1.059 -12.760 -3.214 1.00 0.00 O ATOM 353 CB ARG A 22 0.443 -10.750 -5.170 1.00 0.00 C ATOM 354 CG ARG A 22 0.012 -9.761 -6.229 1.00 0.00 C ATOM 355 CD ARG A 22 0.940 -9.792 -7.428 1.00 0.00 C ATOM 356 NE ARG A 22 0.409 -9.034 -8.571 1.00 0.00 N ATOM 357 CZ ARG A 22 1.093 -8.763 -9.692 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.354 -9.162 -9.814 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.509 -8.104 -10.681 1.00 0.00 N ATOM 0 H ARG A 22 1.052 -9.035 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.351 -10.417 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.513 -10.638 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.286 -11.762 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.005 -9.988 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.004 -8.757 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.909 -9.383 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.106 -10.827 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.549 -8.690 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.802 -9.675 -9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.874 -8.956 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.461 -7.803 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.029 -7.898 -11.534 1.00 0.00 H new ATOM 373 N GLN A 23 0.743 -11.953 -2.124 1.00 0.00 N ATOM 374 CA GLN A 23 0.885 -13.103 -1.235 1.00 0.00 C ATOM 375 C GLN A 23 -0.317 -13.186 -0.308 1.00 0.00 C ATOM 376 O GLN A 23 -1.039 -14.177 -0.299 1.00 0.00 O ATOM 377 CB GLN A 23 2.126 -12.965 -0.366 1.00 0.00 C ATOM 378 CG GLN A 23 3.423 -12.779 -1.106 1.00 0.00 C ATOM 379 CD GLN A 23 3.824 -13.988 -1.899 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.557 -15.108 -1.521 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.408 -13.785 -3.021 1.00 0.00 N ATOM 0 H GLN A 23 1.450 -11.230 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 23 0.963 -13.996 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.986 -12.116 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.210 -13.854 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.333 -11.925 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.212 -12.542 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.623 -12.834 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.658 -14.575 -3.616 1.00 0.00 H new ATOM 390 N TYR A 24 -0.547 -12.113 0.441 1.00 0.00 N ATOM 391 CA TYR A 24 -1.622 -12.061 1.421 1.00 0.00 C ATOM 392 C TYR A 24 -2.978 -12.168 0.754 1.00 0.00 C ATOM 393 O TYR A 24 -3.881 -12.833 1.260 1.00 0.00 O ATOM 394 CB TYR A 24 -1.534 -10.773 2.204 1.00 0.00 C ATOM 395 CG TYR A 24 -2.554 -10.663 3.326 1.00 0.00 C ATOM 396 CD1 TYR A 24 -2.305 -11.196 4.578 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.768 -10.025 3.120 1.00 0.00 C ATOM 398 CE1 TYR A 24 -3.244 -11.105 5.586 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.698 -9.928 4.110 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.440 -10.463 5.342 1.00 0.00 C ATOM 401 OH TYR A 24 -5.389 -10.365 6.331 1.00 0.00 O ATOM 0 H TYR A 24 0.006 -11.258 0.385 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.510 -12.909 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.533 -10.684 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.668 -9.934 1.521 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.364 -11.690 4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.981 -9.595 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.044 -11.533 6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.638 -9.430 3.923 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.169 -9.881 5.989 1.00 0.00 H new ATOM 411 N LEU A 25 -3.108 -11.506 -0.363 1.00 0.00 N ATOM 412 CA LEU A 25 -4.349 -11.552 -1.181 1.00 0.00 C ATOM 413 C LEU A 25 -4.675 -12.981 -1.645 1.00 0.00 C ATOM 414 O LEU A 25 -5.841 -13.338 -1.831 1.00 0.00 O ATOM 415 CB LEU A 25 -4.258 -10.615 -2.394 1.00 0.00 C ATOM 416 CG LEU A 25 -4.199 -9.114 -2.104 1.00 0.00 C ATOM 417 CD1 LEU A 25 -4.015 -8.333 -3.388 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.451 -8.642 -1.391 1.00 0.00 C ATOM 0 H LEU A 25 -2.376 -10.914 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.159 -11.209 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.371 -10.885 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.120 -10.804 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.344 -8.937 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.975 -7.267 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.085 -8.637 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.852 -8.531 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.379 -7.571 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.322 -8.841 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.554 -9.174 -0.445 1.00 0.00 H new ATOM 430 N ALA A 26 -3.642 -13.788 -1.812 1.00 0.00 N ATOM 431 CA ALA A 26 -3.797 -15.188 -2.190 1.00 0.00 C ATOM 432 C ALA A 26 -3.959 -16.071 -0.950 1.00 0.00 C ATOM 433 O ALA A 26 -4.153 -17.282 -1.054 1.00 0.00 O ATOM 434 CB ALA A 26 -2.608 -15.650 -3.009 1.00 0.00 C ATOM 0 H ALA A 26 -2.673 -13.495 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.698 -15.278 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.740 -16.697 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.532 -15.045 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.697 -15.541 -2.421 1.00 0.00 H new ATOM 440 N GLY A 27 -3.859 -15.461 0.210 1.00 0.00 N ATOM 441 CA GLY A 27 -4.014 -16.159 1.455 1.00 0.00 C ATOM 442 C GLY A 27 -2.740 -16.830 1.913 1.00 0.00 C ATOM 443 O GLY A 27 -2.782 -17.806 2.656 1.00 0.00 O ATOM 0 H GLY A 27 -3.667 -14.464 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.345 -15.458 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.797 -16.910 1.350 1.00 0.00 H new ATOM 447 N LYS A 28 -1.609 -16.338 1.459 1.00 0.00 N ATOM 448 CA LYS A 28 -0.330 -16.899 1.837 1.00 0.00 C ATOM 449 C LYS A 28 0.183 -16.206 3.080 1.00 0.00 C ATOM 450 O LYS A 28 -0.222 -15.070 3.377 1.00 0.00 O ATOM 451 CB LYS A 28 0.687 -16.753 0.690 1.00 0.00 C ATOM 452 CG LYS A 28 0.178 -17.288 -0.640 1.00 0.00 C ATOM 453 CD LYS A 28 1.198 -17.105 -1.734 1.00 0.00 C ATOM 454 CE LYS A 28 2.377 -18.047 -1.574 1.00 0.00 C ATOM 455 NZ LYS A 28 3.441 -17.750 -2.547 1.00 0.00 N ATOM 0 H LYS A 28 -1.549 -15.544 0.822 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.460 -17.961 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.945 -15.700 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.604 -17.279 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.064 -18.346 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.744 -16.775 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.726 -17.275 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.554 -16.075 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.775 -17.965 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.042 -19.076 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.245 -18.390 -2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.077 -17.885 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.754 -16.765 -2.430 1.00 0.00 H new ATOM 469 N THR A 29 1.035 -16.871 3.796 1.00 0.00 N ATOM 470 CA THR A 29 1.626 -16.327 4.990 1.00 0.00 C ATOM 471 C THR A 29 2.906 -15.628 4.570 1.00 0.00 C ATOM 472 O THR A 29 3.846 -16.271 4.089 1.00 0.00 O ATOM 473 CB THR A 29 1.943 -17.448 6.000 1.00 0.00 C ATOM 474 OG1 THR A 29 0.774 -18.280 6.168 1.00 0.00 O ATOM 475 CG2 THR A 29 2.332 -16.868 7.354 1.00 0.00 C ATOM 0 H THR A 29 1.346 -17.816 3.571 1.00 0.00 H new ATOM 0 HA THR A 29 0.939 -15.634 5.476 1.00 0.00 H new ATOM 0 HB THR A 29 2.778 -18.033 5.615 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.971 -18.995 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.551 -17.679 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.215 -16.240 7.240 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.509 -16.269 7.743 1.00 0.00 H new ATOM 483 N VAL A 30 2.936 -14.333 4.702 1.00 0.00 N ATOM 484 CA VAL A 30 4.029 -13.583 4.204 1.00 0.00 C ATOM 485 C VAL A 30 4.952 -13.236 5.351 1.00 0.00 C ATOM 486 O VAL A 30 4.555 -12.532 6.273 1.00 0.00 O ATOM 487 CB VAL A 30 3.556 -12.282 3.532 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.512 -11.879 2.440 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.125 -12.375 3.012 1.00 0.00 C ATOM 0 H VAL A 30 2.207 -13.781 5.154 1.00 0.00 H new ATOM 0 HA VAL A 30 4.548 -14.186 3.459 1.00 0.00 H new ATOM 0 HB VAL A 30 3.551 -11.505 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.164 -10.957 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.503 -11.719 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.561 -12.668 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.844 -11.429 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.057 -13.175 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.450 -12.587 3.841 1.00 0.00 H new ATOM 499 N SER A 31 6.146 -13.742 5.309 1.00 0.00 N ATOM 500 CA SER A 31 7.115 -13.484 6.338 1.00 0.00 C ATOM 501 C SER A 31 7.670 -12.067 6.185 1.00 0.00 C ATOM 502 O SER A 31 8.063 -11.659 5.082 1.00 0.00 O ATOM 503 CB SER A 31 8.241 -14.529 6.273 1.00 0.00 C ATOM 504 OG SER A 31 9.193 -14.366 7.332 1.00 0.00 O ATOM 0 H SER A 31 6.480 -14.348 4.560 1.00 0.00 H new ATOM 0 HA SER A 31 6.636 -13.560 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.810 -15.529 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.751 -14.451 5.313 1.00 0.00 H new ATOM 0 HG SER A 31 9.890 -15.051 7.254 1.00 0.00 H new ATOM 510 N GLY A 32 7.642 -11.322 7.267 1.00 0.00 N ATOM 511 CA GLY A 32 8.185 -9.989 7.284 1.00 0.00 C ATOM 512 C GLY A 32 7.269 -8.980 6.657 1.00 0.00 C ATOM 513 O GLY A 32 7.724 -8.021 6.039 1.00 0.00 O ATOM 0 H GLY A 32 7.243 -11.625 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.388 -9.698 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.139 -9.984 6.757 1.00 0.00 H new ATOM 517 N ILE A 33 5.985 -9.188 6.780 1.00 0.00 N ATOM 518 CA ILE A 33 5.057 -8.270 6.220 1.00 0.00 C ATOM 519 C ILE A 33 4.433 -7.444 7.329 1.00 0.00 C ATOM 520 O ILE A 33 4.248 -7.931 8.456 1.00 0.00 O ATOM 521 CB ILE A 33 3.942 -9.007 5.383 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.195 -8.014 4.489 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.948 -9.766 6.277 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.206 -8.678 3.543 1.00 0.00 C ATOM 0 H ILE A 33 5.569 -9.984 7.263 1.00 0.00 H new ATOM 0 HA ILE A 33 5.593 -7.614 5.534 1.00 0.00 H new ATOM 0 HB ILE A 33 4.448 -9.743 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.662 -7.300 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.919 -7.446 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.200 -10.257 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.483 -10.516 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.456 -9.065 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.712 -7.916 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.736 -9.371 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.460 -9.223 4.121 1.00 0.00 H new ATOM 536 N ASP A 34 4.181 -6.198 7.054 1.00 0.00 N ATOM 537 CA ASP A 34 3.392 -5.403 7.965 1.00 0.00 C ATOM 538 C ASP A 34 2.007 -5.575 7.468 1.00 0.00 C ATOM 539 O ASP A 34 1.630 -4.936 6.506 1.00 0.00 O ATOM 540 CB ASP A 34 3.735 -3.904 7.940 1.00 0.00 C ATOM 541 CG ASP A 34 3.027 -3.130 9.070 1.00 0.00 C ATOM 542 OD1 ASP A 34 3.709 -2.496 9.893 1.00 0.00 O ATOM 543 OD2 ASP A 34 1.787 -3.177 9.171 1.00 0.00 O ATOM 0 H ASP A 34 4.503 -5.710 6.218 1.00 0.00 H new ATOM 0 HA ASP A 34 3.565 -5.725 8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.813 -3.777 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.448 -3.482 6.977 1.00 0.00 H new ATOM 548 N LYS A 35 1.267 -6.465 8.090 1.00 0.00 N ATOM 549 CA LYS A 35 -0.062 -6.876 7.642 1.00 0.00 C ATOM 550 C LYS A 35 -1.071 -5.702 7.635 1.00 0.00 C ATOM 551 O LYS A 35 -2.104 -5.759 6.974 1.00 0.00 O ATOM 552 CB LYS A 35 -0.559 -7.997 8.550 1.00 0.00 C ATOM 553 CG LYS A 35 -1.742 -8.786 8.005 1.00 0.00 C ATOM 554 CD LYS A 35 -2.305 -9.756 9.050 1.00 0.00 C ATOM 555 CE LYS A 35 -1.275 -10.799 9.498 1.00 0.00 C ATOM 556 NZ LYS A 35 -1.808 -11.691 10.556 1.00 0.00 N ATOM 0 H LYS A 35 1.571 -6.939 8.941 1.00 0.00 H new ATOM 0 HA LYS A 35 0.016 -7.226 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.264 -8.687 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.839 -7.568 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.525 -8.097 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.432 -9.343 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.647 -9.192 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.176 -10.265 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.969 -11.398 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.383 -10.292 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.079 -12.380 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.076 -11.124 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.644 -12.195 10.197 1.00 0.00 H new ATOM 570 N ASN A 36 -0.734 -4.641 8.327 1.00 0.00 N ATOM 571 CA ASN A 36 -1.587 -3.489 8.450 1.00 0.00 C ATOM 572 C ASN A 36 -1.314 -2.527 7.298 1.00 0.00 C ATOM 573 O ASN A 36 -2.205 -1.790 6.870 1.00 0.00 O ATOM 574 CB ASN A 36 -1.292 -2.753 9.763 1.00 0.00 C ATOM 575 CG ASN A 36 -1.101 -3.660 10.959 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.046 -4.014 11.662 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.129 -4.033 11.202 1.00 0.00 N ATOM 0 H ASN A 36 0.151 -4.554 8.826 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.625 -3.822 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.394 -2.149 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.111 -2.065 9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.331 -4.638 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.887 -3.718 10.596 1.00 0.00 H new ATOM 584 N ALA A 37 -0.085 -2.594 6.746 1.00 0.00 N ATOM 585 CA ALA A 37 0.385 -1.655 5.708 1.00 0.00 C ATOM 586 C ALA A 37 -0.217 -1.966 4.360 1.00 0.00 C ATOM 587 O ALA A 37 -0.027 -1.221 3.392 1.00 0.00 O ATOM 588 CB ALA A 37 1.898 -1.687 5.615 1.00 0.00 C ATOM 0 H ALA A 37 0.606 -3.297 7.006 1.00 0.00 H new ATOM 0 HA ALA A 37 0.060 -0.656 5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.230 -0.990 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.328 -1.400 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.225 -2.694 5.358 1.00 0.00 H new ATOM 594 N LEU A 38 -0.943 -3.059 4.316 1.00 0.00 N ATOM 595 CA LEU A 38 -1.604 -3.527 3.127 1.00 0.00 C ATOM 596 C LEU A 38 -2.852 -2.775 2.880 1.00 0.00 C ATOM 597 O LEU A 38 -3.349 -2.770 1.771 1.00 0.00 O ATOM 598 CB LEU A 38 -1.982 -5.004 3.223 1.00 0.00 C ATOM 599 CG LEU A 38 -0.883 -6.035 3.093 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.063 -5.972 4.213 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.468 -7.391 3.003 1.00 0.00 C ATOM 0 H LEU A 38 -1.092 -3.659 5.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.893 -3.378 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.472 -5.160 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.723 -5.209 2.450 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.330 -5.813 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.836 -6.729 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.524 -4.985 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.467 -6.155 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.669 -8.127 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.048 -7.597 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.119 -7.449 2.130 1.00 0.00 H new ATOM 613 N ASP A 39 -3.387 -2.132 3.900 1.00 0.00 N ATOM 614 CA ASP A 39 -4.621 -1.463 3.709 1.00 0.00 C ATOM 615 C ASP A 39 -4.365 -0.031 3.311 1.00 0.00 C ATOM 616 O ASP A 39 -4.487 0.908 4.094 1.00 0.00 O ATOM 617 CB ASP A 39 -5.534 -1.581 4.897 1.00 0.00 C ATOM 618 CG ASP A 39 -6.943 -1.525 4.441 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.472 -0.477 4.108 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.532 -2.556 4.252 1.00 0.00 O ATOM 0 H ASP A 39 -2.987 -2.069 4.836 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.154 -1.954 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.347 -2.518 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.336 -0.775 5.603 1.00 0.00 H new ATOM 625 N ILE A 40 -3.959 0.089 2.088 1.00 0.00 N ATOM 626 CA ILE A 40 -3.499 1.305 1.488 1.00 0.00 C ATOM 627 C ILE A 40 -4.658 2.248 1.193 1.00 0.00 C ATOM 628 O ILE A 40 -4.526 3.467 1.310 1.00 0.00 O ATOM 629 CB ILE A 40 -2.720 0.964 0.199 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.686 -0.108 0.539 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.021 2.210 -0.337 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.053 -0.768 -0.647 1.00 0.00 C ATOM 0 H ILE A 40 -3.937 -0.701 1.444 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.838 1.821 2.185 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.404 0.600 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.902 0.343 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.164 -0.873 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.475 1.958 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.764 2.976 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.325 2.587 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.334 -1.513 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.823 -1.253 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.541 -0.018 -1.250 1.00 0.00 H new ATOM 644 N ASN A 41 -5.802 1.694 0.840 1.00 0.00 N ATOM 645 CA ASN A 41 -6.972 2.533 0.539 1.00 0.00 C ATOM 646 C ASN A 41 -7.672 2.958 1.847 1.00 0.00 C ATOM 647 O ASN A 41 -8.554 3.823 1.844 1.00 0.00 O ATOM 648 CB ASN A 41 -7.962 1.845 -0.465 1.00 0.00 C ATOM 649 CG ASN A 41 -8.839 0.749 0.131 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.501 0.134 1.128 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.934 0.433 -0.518 1.00 0.00 N ATOM 0 H ASN A 41 -5.957 0.690 0.752 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.618 3.432 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.608 2.611 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.384 1.419 -1.285 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.517 -0.337 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.203 0.958 -1.350 1.00 0.00 H new ATOM 658 N GLY A 42 -7.227 2.357 2.964 1.00 0.00 N ATOM 659 CA GLY A 42 -7.754 2.666 4.291 1.00 0.00 C ATOM 660 C GLY A 42 -9.244 2.385 4.443 1.00 0.00 C ATOM 661 O GLY A 42 -9.993 3.266 4.832 1.00 0.00 O ATOM 0 H GLY A 42 -6.495 1.647 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.207 2.085 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.568 3.718 4.509 1.00 0.00 H new ATOM 665 N ASP A 43 -9.660 1.167 4.151 1.00 0.00 N ATOM 666 CA ASP A 43 -11.089 0.791 4.248 1.00 0.00 C ATOM 667 C ASP A 43 -11.322 -0.255 5.332 1.00 0.00 C ATOM 668 O ASP A 43 -12.443 -0.424 5.815 1.00 0.00 O ATOM 669 CB ASP A 43 -11.698 0.308 2.886 1.00 0.00 C ATOM 670 CG ASP A 43 -11.065 -0.955 2.304 1.00 0.00 C ATOM 671 OD1 ASP A 43 -11.344 -1.315 1.141 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.220 -1.563 2.943 1.00 0.00 O ATOM 0 H ASP A 43 -9.045 0.413 3.845 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.613 1.706 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.764 0.130 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.602 1.113 2.157 1.00 0.00 H new ATOM 677 N GLY A 44 -10.266 -0.947 5.726 1.00 0.00 N ATOM 678 CA GLY A 44 -10.381 -1.930 6.776 1.00 0.00 C ATOM 679 C GLY A 44 -10.411 -3.376 6.276 1.00 0.00 C ATOM 680 O GLY A 44 -10.652 -4.297 7.062 1.00 0.00 O ATOM 0 H GLY A 44 -9.330 -0.844 5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.543 -1.812 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.290 -1.734 7.345 1.00 0.00 H new ATOM 684 N ALA A 45 -10.222 -3.576 4.986 1.00 0.00 N ATOM 685 CA ALA A 45 -10.116 -4.920 4.416 1.00 0.00 C ATOM 686 C ALA A 45 -9.132 -4.915 3.285 1.00 0.00 C ATOM 687 O ALA A 45 -9.186 -4.059 2.418 1.00 0.00 O ATOM 688 CB ALA A 45 -11.433 -5.422 3.907 1.00 0.00 C ATOM 0 H ALA A 45 -10.137 -2.824 4.302 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.782 -5.584 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.306 -6.422 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.151 -5.457 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.802 -4.752 3.130 1.00 0.00 H new ATOM 694 N VAL A 46 -8.258 -5.850 3.278 1.00 0.00 N ATOM 695 CA VAL A 46 -7.233 -5.929 2.306 1.00 0.00 C ATOM 696 C VAL A 46 -7.804 -6.590 1.066 1.00 0.00 C ATOM 697 O VAL A 46 -8.169 -7.772 1.075 1.00 0.00 O ATOM 698 CB VAL A 46 -6.055 -6.729 2.847 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.955 -6.766 1.846 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.541 -6.146 4.156 1.00 0.00 C ATOM 0 H VAL A 46 -8.234 -6.602 3.966 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.872 -4.931 2.058 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.404 -7.743 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.119 -7.341 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.313 -7.235 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.626 -5.750 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.701 -6.741 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.215 -5.119 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.339 -6.161 4.899 1.00 0.00 H new ATOM 710 N ASN A 47 -7.950 -5.808 0.058 1.00 0.00 N ATOM 711 CA ASN A 47 -8.578 -6.208 -1.164 1.00 0.00 C ATOM 712 C ASN A 47 -7.793 -5.727 -2.357 1.00 0.00 C ATOM 713 O ASN A 47 -6.757 -5.068 -2.207 1.00 0.00 O ATOM 714 CB ASN A 47 -10.040 -5.698 -1.169 1.00 0.00 C ATOM 715 CG ASN A 47 -10.186 -4.249 -0.693 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.390 -3.373 -1.020 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.161 -4.008 0.139 1.00 0.00 N ATOM 0 H ASN A 47 -7.628 -4.840 0.054 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.596 -7.296 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.442 -5.782 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.643 -6.344 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.275 -3.075 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.809 -4.753 0.395 1.00 0.00 H new ATOM 724 N GLY A 48 -8.291 -6.033 -3.547 1.00 0.00 N ATOM 725 CA GLY A 48 -7.645 -5.626 -4.780 1.00 0.00 C ATOM 726 C GLY A 48 -7.648 -4.126 -4.971 1.00 0.00 C ATOM 727 O GLY A 48 -6.924 -3.598 -5.806 1.00 0.00 O ATOM 0 H GLY A 48 -9.149 -6.567 -3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.616 -5.987 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.150 -6.097 -5.623 1.00 0.00 H new ATOM 731 N ARG A 49 -8.470 -3.441 -4.194 1.00 0.00 N ATOM 732 CA ARG A 49 -8.558 -2.004 -4.241 1.00 0.00 C ATOM 733 C ARG A 49 -7.297 -1.396 -3.644 1.00 0.00 C ATOM 734 O ARG A 49 -6.853 -0.345 -4.083 1.00 0.00 O ATOM 735 CB ARG A 49 -9.793 -1.505 -3.493 1.00 0.00 C ATOM 736 CG ARG A 49 -11.034 -2.283 -3.851 1.00 0.00 C ATOM 737 CD ARG A 49 -12.316 -1.619 -3.403 1.00 0.00 C ATOM 738 NE ARG A 49 -12.499 -1.582 -1.942 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.691 -1.389 -1.331 1.00 0.00 C ATOM 740 NH1 ARG A 49 -14.813 -1.314 -2.041 1.00 0.00 N ATOM 741 NH2 ARG A 49 -13.755 -1.289 -0.023 1.00 0.00 N ATOM 0 H ARG A 49 -9.094 -3.874 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.650 -1.695 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.619 -1.578 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.950 -0.450 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.066 -2.423 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.973 -3.275 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.337 -0.599 -3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.160 -2.145 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.676 -1.710 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.781 -1.402 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.706 -1.168 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.904 -1.357 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.655 -1.144 0.434 1.00 0.00 H new ATOM 755 N ASP A 50 -6.710 -2.088 -2.653 1.00 0.00 N ATOM 756 CA ASP A 50 -5.454 -1.663 -2.034 1.00 0.00 C ATOM 757 C ASP A 50 -4.335 -1.936 -2.985 1.00 0.00 C ATOM 758 O ASP A 50 -3.409 -1.165 -3.096 1.00 0.00 O ATOM 759 CB ASP A 50 -5.166 -2.437 -0.771 1.00 0.00 C ATOM 760 CG ASP A 50 -6.184 -2.282 0.289 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.212 -1.267 0.982 1.00 0.00 O ATOM 762 OD2 ASP A 50 -7.012 -3.173 0.498 1.00 0.00 O ATOM 0 H ASP A 50 -7.093 -2.950 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.542 -0.603 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.078 -3.494 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.200 -2.120 -0.378 1.00 0.00 H new ATOM 767 N LEU A 51 -4.453 -3.059 -3.672 1.00 0.00 N ATOM 768 CA LEU A 51 -3.511 -3.470 -4.710 1.00 0.00 C ATOM 769 C LEU A 51 -3.439 -2.414 -5.802 1.00 0.00 C ATOM 770 O LEU A 51 -2.358 -2.038 -6.228 1.00 0.00 O ATOM 771 CB LEU A 51 -3.925 -4.833 -5.287 1.00 0.00 C ATOM 772 CG LEU A 51 -3.213 -5.329 -6.565 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.704 -5.467 -6.382 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.796 -6.654 -6.973 1.00 0.00 C ATOM 0 H LEU A 51 -5.214 -3.723 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.518 -3.572 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.776 -5.583 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.995 -4.796 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.374 -4.582 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.255 -5.819 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.279 -4.498 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.498 -6.183 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.297 -7.009 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.652 -7.377 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.862 -6.537 -7.170 1.00 0.00 H new ATOM 786 N MET A 52 -4.602 -1.918 -6.227 1.00 0.00 N ATOM 787 CA MET A 52 -4.669 -0.837 -7.222 1.00 0.00 C ATOM 788 C MET A 52 -3.968 0.420 -6.713 1.00 0.00 C ATOM 789 O MET A 52 -3.255 1.094 -7.471 1.00 0.00 O ATOM 790 CB MET A 52 -6.113 -0.518 -7.618 1.00 0.00 C ATOM 791 CG MET A 52 -6.797 -1.619 -8.404 1.00 0.00 C ATOM 792 SD MET A 52 -8.502 -1.215 -8.827 1.00 0.00 S ATOM 793 CE MET A 52 -8.960 -2.660 -9.780 1.00 0.00 C ATOM 0 H MET A 52 -5.512 -2.245 -5.901 1.00 0.00 H new ATOM 0 HA MET A 52 -4.149 -1.189 -8.113 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.690 -0.318 -6.715 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.122 0.397 -8.211 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.235 -1.810 -9.319 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.780 -2.540 -7.822 1.00 0.00 H new ATOM 0 HE1 MET A 52 -9.992 -2.562 -10.116 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.304 -2.748 -10.646 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.863 -3.551 -9.159 1.00 0.00 H new ATOM 803 N GLU A 53 -4.139 0.701 -5.421 1.00 0.00 N ATOM 804 CA GLU A 53 -3.478 1.823 -4.766 1.00 0.00 C ATOM 805 C GLU A 53 -1.977 1.617 -4.770 1.00 0.00 C ATOM 806 O GLU A 53 -1.233 2.529 -5.042 1.00 0.00 O ATOM 807 CB GLU A 53 -3.935 1.963 -3.319 1.00 0.00 C ATOM 808 CG GLU A 53 -5.394 2.278 -3.135 1.00 0.00 C ATOM 809 CD GLU A 53 -5.795 3.594 -3.754 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.448 3.581 -4.805 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.472 4.666 -3.197 1.00 0.00 O ATOM 0 H GLU A 53 -4.740 0.156 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.741 2.725 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.711 1.035 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.348 2.749 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.991 1.479 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.624 2.299 -2.070 1.00 0.00 H new ATOM 818 N LEU A 54 -1.557 0.404 -4.463 1.00 0.00 N ATOM 819 CA LEU A 54 -0.154 0.043 -4.426 1.00 0.00 C ATOM 820 C LEU A 54 0.492 0.227 -5.787 1.00 0.00 C ATOM 821 O LEU A 54 1.554 0.822 -5.889 1.00 0.00 O ATOM 822 CB LEU A 54 0.012 -1.388 -3.966 1.00 0.00 C ATOM 823 CG LEU A 54 1.439 -1.841 -3.684 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.110 -0.923 -2.675 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.426 -3.248 -3.166 1.00 0.00 C ATOM 0 H LEU A 54 -2.186 -0.364 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 54 0.343 0.704 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.577 -1.527 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.412 -2.044 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 54 2.007 -1.799 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.128 -1.267 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.136 0.093 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.548 -0.936 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.447 -3.571 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.844 -3.292 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.978 -3.906 -3.911 1.00 0.00 H new ATOM 837 N ILE A 55 -0.175 -0.270 -6.821 1.00 0.00 N ATOM 838 CA ILE A 55 0.273 -0.100 -8.216 1.00 0.00 C ATOM 839 C ILE A 55 0.420 1.391 -8.522 1.00 0.00 C ATOM 840 O ILE A 55 1.392 1.799 -9.117 1.00 0.00 O ATOM 841 CB ILE A 55 -0.720 -0.766 -9.225 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.837 -2.278 -8.944 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.284 -0.523 -10.678 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.891 -2.995 -9.774 1.00 0.00 C ATOM 0 H ILE A 55 -1.040 -0.802 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 55 1.236 -0.597 -8.331 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.698 -0.306 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.131 -2.745 -9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.065 -2.422 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.994 -0.998 -11.355 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.256 0.549 -10.875 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.708 -0.947 -10.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.904 -4.053 -9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.870 -2.559 -9.574 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.656 -2.887 -10.833 1.00 0.00 H new ATOM 856 N LYS A 56 -0.523 2.181 -8.047 1.00 0.00 N ATOM 857 CA LYS A 56 -0.483 3.639 -8.164 1.00 0.00 C ATOM 858 C LYS A 56 0.777 4.222 -7.494 1.00 0.00 C ATOM 859 O LYS A 56 1.503 5.001 -8.110 1.00 0.00 O ATOM 860 CB LYS A 56 -1.753 4.220 -7.535 1.00 0.00 C ATOM 861 CG LYS A 56 -1.706 5.708 -7.200 1.00 0.00 C ATOM 862 CD LYS A 56 -3.003 6.184 -6.558 1.00 0.00 C ATOM 863 CE LYS A 56 -4.197 6.084 -7.499 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.034 6.933 -8.700 1.00 0.00 N ATOM 0 H LYS A 56 -1.350 1.832 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.438 3.911 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.586 4.046 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.969 3.667 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.873 5.902 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.519 6.280 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.200 5.592 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.886 7.219 -6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.331 5.046 -7.805 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.102 6.379 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.931 6.968 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.765 7.895 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.292 6.534 -9.309 1.00 0.00 H new ATOM 878 N LYS A 57 1.026 3.815 -6.251 1.00 0.00 N ATOM 879 CA LYS A 57 2.166 4.299 -5.459 1.00 0.00 C ATOM 880 C LYS A 57 3.478 3.940 -6.148 1.00 0.00 C ATOM 881 O LYS A 57 4.314 4.792 -6.422 1.00 0.00 O ATOM 882 CB LYS A 57 2.171 3.652 -4.054 1.00 0.00 C ATOM 883 CG LYS A 57 0.876 3.753 -3.249 1.00 0.00 C ATOM 884 CD LYS A 57 0.438 5.183 -2.968 1.00 0.00 C ATOM 885 CE LYS A 57 1.382 5.874 -1.984 1.00 0.00 C ATOM 886 NZ LYS A 57 0.949 7.249 -1.679 1.00 0.00 N ATOM 0 H LYS A 57 0.443 3.138 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 57 2.069 5.381 -5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.421 2.597 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.971 4.109 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.082 3.239 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.006 3.230 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.408 5.746 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.574 5.182 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.431 5.296 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.389 5.895 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.616 7.682 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.927 7.808 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.001 7.228 -1.257 1.00 0.00 H new ATOM 900 N VAL A 58 3.604 2.685 -6.461 1.00 0.00 N ATOM 901 CA VAL A 58 4.795 2.106 -7.031 1.00 0.00 C ATOM 902 C VAL A 58 5.073 2.571 -8.458 1.00 0.00 C ATOM 903 O VAL A 58 6.217 2.880 -8.800 1.00 0.00 O ATOM 904 CB VAL A 58 4.686 0.580 -6.922 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.788 -0.153 -7.680 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.704 0.223 -5.447 1.00 0.00 C ATOM 0 H VAL A 58 2.855 2.007 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 58 5.659 2.455 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 58 3.755 0.257 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.656 -1.229 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.737 0.107 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.760 0.138 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.628 -0.858 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.636 0.570 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.862 0.701 -4.947 1.00 0.00 H new ATOM 916 N SER A 59 4.042 2.703 -9.259 1.00 0.00 N ATOM 917 CA SER A 59 4.231 3.112 -10.647 1.00 0.00 C ATOM 918 C SER A 59 4.535 4.604 -10.754 1.00 0.00 C ATOM 919 O SER A 59 4.984 5.093 -11.795 1.00 0.00 O ATOM 920 CB SER A 59 3.032 2.739 -11.506 1.00 0.00 C ATOM 921 OG SER A 59 2.796 1.343 -11.427 1.00 0.00 O ATOM 0 H SER A 59 3.073 2.538 -8.987 1.00 0.00 H new ATOM 0 HA SER A 59 5.095 2.568 -11.028 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.150 3.285 -11.171 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.212 3.028 -12.541 1.00 0.00 H new ATOM 0 HG SER A 59 2.265 1.146 -10.627 1.00 0.00 H new ATOM 927 N ASN A 60 4.287 5.317 -9.689 1.00 0.00 N ATOM 928 CA ASN A 60 4.549 6.721 -9.639 1.00 0.00 C ATOM 929 C ASN A 60 5.892 6.999 -8.954 1.00 0.00 C ATOM 930 O ASN A 60 6.595 7.947 -9.310 1.00 0.00 O ATOM 931 CB ASN A 60 3.402 7.409 -8.895 1.00 0.00 C ATOM 932 CG ASN A 60 3.566 8.897 -8.745 1.00 0.00 C ATOM 933 OD1 ASN A 60 3.157 9.666 -9.610 1.00 0.00 O ATOM 934 ND2 ASN A 60 4.106 9.312 -7.648 1.00 0.00 N ATOM 0 H ASN A 60 3.895 4.933 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 60 4.613 7.118 -10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.470 7.209 -9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.308 6.964 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.205 10.312 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.433 8.640 -6.954 1.00 0.00 H new ATOM 941 N ASN A 61 6.256 6.157 -8.003 1.00 0.00 N ATOM 942 CA ASN A 61 7.438 6.405 -7.194 1.00 0.00 C ATOM 943 C ASN A 61 8.628 5.475 -7.513 1.00 0.00 C ATOM 944 O ASN A 61 9.622 5.931 -8.074 1.00 0.00 O ATOM 945 CB ASN A 61 7.069 6.393 -5.700 1.00 0.00 C ATOM 946 CG ASN A 61 8.223 6.728 -4.770 1.00 0.00 C ATOM 947 OD1 ASN A 61 8.507 7.897 -4.518 1.00 0.00 O ATOM 948 ND2 ASN A 61 8.841 5.728 -4.203 1.00 0.00 N ATOM 0 H ASN A 61 5.754 5.300 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 61 7.797 7.400 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.262 7.106 -5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.683 5.407 -5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.585 5.905 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.580 4.770 -4.435 1.00 0.00 H new ATOM 955 N THR A 62 8.554 4.196 -7.159 1.00 0.00 N ATOM 956 CA THR A 62 9.693 3.294 -7.363 1.00 0.00 C ATOM 957 C THR A 62 9.229 1.858 -7.632 1.00 0.00 C ATOM 958 O THR A 62 8.389 1.346 -6.937 1.00 0.00 O ATOM 959 CB THR A 62 10.641 3.320 -6.117 1.00 0.00 C ATOM 960 OG1 THR A 62 11.105 4.665 -5.903 1.00 0.00 O ATOM 961 CG2 THR A 62 11.856 2.407 -6.296 1.00 0.00 C ATOM 0 H THR A 62 7.734 3.762 -6.736 1.00 0.00 H new ATOM 0 HA THR A 62 10.239 3.646 -8.238 1.00 0.00 H new ATOM 0 HB THR A 62 10.069 2.960 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.698 4.686 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.484 2.458 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.521 1.380 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.430 2.731 -7.164 1.00 0.00 H new ATOM 969 N SER A 63 9.770 1.247 -8.656 1.00 0.00 N ATOM 970 CA SER A 63 9.487 -0.120 -8.984 1.00 0.00 C ATOM 971 C SER A 63 10.819 -0.854 -9.021 1.00 0.00 C ATOM 972 O SER A 63 11.116 -1.625 -8.095 1.00 0.00 O ATOM 973 CB SER A 63 8.741 -0.216 -10.339 1.00 0.00 C ATOM 974 OG SER A 63 8.367 -1.561 -10.662 1.00 0.00 O ATOM 975 OXT SER A 63 11.632 -0.571 -9.927 1.00 0.00 O ATOM 0 H SER A 63 10.429 1.696 -9.292 1.00 0.00 H new ATOM 0 HA SER A 63 8.831 -0.573 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.848 0.408 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.377 0.181 -11.130 1.00 0.00 H new ATOM 0 HG SER A 63 7.898 -1.573 -11.523 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.482 -1.530 0.084 1.00 0.00 CA HETATM 983 CA CA A 102 -8.178 -1.989 2.098 1.00 0.00 CA