USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 583 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 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 29 THR OG1 : rot -162:sc= 0.891 USER MOD Set 1.2: A 49 GLN :FLIP amide:sc= -0.0629 F(o=-0.79,f=0.83) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0.302 USER MOD Set 2.2: A 8 GLN :FLIP amide:sc= 0 F(o=-0.43,f=0.3) USER MOD Set 2.3: A 76 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0708 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= -0.0525 (180deg=-0.551) USER MOD Single : A 17 SER OG : rot -72:sc= 0.134 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -1.12 (180deg=-1.45) USER MOD Single : A 26 CYS SG : rot 33:sc= 0.0926 USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 30 LYS NZ :NH3+ -110:sc= -1.98 (180deg=-4.43!) USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.929 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -12:sc= 1.01 USER MOD Single : A 41 GLN : amide:sc= -0.435 K(o=-0.44,f=-1.3) USER MOD Single : A 42 ASN :FLIP amide:sc= 0.367 F(o=-0.3,f=0.37) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.08 X(o=-2.1,f=-1.7) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00454) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=0.000334 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.859 -7.714 -17.474 1.00 0.00 N ATOM 2 CA ALA A 1 -15.840 -7.207 -16.474 1.00 0.00 C ATOM 3 C ALA A 1 -15.154 -6.187 -15.574 1.00 0.00 C ATOM 4 O ALA A 1 -13.950 -6.268 -15.337 1.00 0.00 O ATOM 5 CB ALA A 1 -16.358 -8.373 -15.628 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.049 -8.718 -17.668 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.947 -7.168 -18.355 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.895 -7.611 -17.098 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.678 -6.736 -16.988 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.076 -8.001 -14.897 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.844 -9.104 -16.274 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.524 -8.845 -15.110 1.00 0.00 H new ATOM 13 N ASP A 2 -15.930 -5.229 -15.077 1.00 0.00 N ATOM 14 CA ASP A 2 -15.397 -4.188 -14.196 1.00 0.00 C ATOM 15 C ASP A 2 -16.261 -4.084 -12.941 1.00 0.00 C ATOM 16 O ASP A 2 -17.298 -3.421 -12.947 1.00 0.00 O ATOM 17 CB ASP A 2 -15.386 -2.850 -14.940 1.00 0.00 C ATOM 18 CG ASP A 2 -14.348 -2.890 -16.060 1.00 0.00 C ATOM 19 OD1 ASP A 2 -13.518 -3.783 -16.040 1.00 0.00 O ATOM 20 OD2 ASP A 2 -14.401 -2.027 -16.922 1.00 0.00 O ATOM 0 H ASP A 2 -16.929 -5.149 -15.267 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.379 -4.443 -13.903 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.373 -2.645 -15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.156 -2.040 -14.248 1.00 0.00 H new ATOM 25 N GLN A 3 -15.834 -4.754 -11.872 1.00 0.00 N ATOM 26 CA GLN A 3 -16.587 -4.738 -10.616 1.00 0.00 C ATOM 27 C GLN A 3 -15.812 -5.451 -9.502 1.00 0.00 C ATOM 28 O GLN A 3 -15.520 -6.642 -9.600 1.00 0.00 O ATOM 29 CB GLN A 3 -17.933 -5.440 -10.814 1.00 0.00 C ATOM 30 CG GLN A 3 -18.791 -5.278 -9.559 1.00 0.00 C ATOM 31 CD GLN A 3 -20.120 -6.007 -9.737 1.00 0.00 C ATOM 32 OE1 GLN A 3 -20.151 -7.139 -10.217 1.00 0.00 O ATOM 33 NE2 GLN A 3 -21.228 -5.417 -9.377 1.00 0.00 N ATOM 0 H GLN A 3 -14.979 -5.310 -11.848 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.743 -3.699 -10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.450 -5.019 -11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -17.775 -6.498 -11.023 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.262 -5.676 -8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -18.970 -4.220 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -21.200 -4.478 -8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.121 -5.895 -9.494 1.00 0.00 H new ATOM 42 N LEU A 4 -15.488 -4.713 -8.443 1.00 0.00 N ATOM 43 CA LEU A 4 -14.750 -5.274 -7.309 1.00 0.00 C ATOM 44 C LEU A 4 -15.707 -5.894 -6.289 1.00 0.00 C ATOM 45 O LEU A 4 -16.884 -5.540 -6.239 1.00 0.00 O ATOM 46 CB LEU A 4 -13.909 -4.173 -6.653 1.00 0.00 C ATOM 47 CG LEU A 4 -12.643 -3.909 -7.493 1.00 0.00 C ATOM 48 CD1 LEU A 4 -11.645 -5.089 -7.366 1.00 0.00 C ATOM 49 CD2 LEU A 4 -13.026 -3.716 -8.969 1.00 0.00 C ATOM 0 H LEU A 4 -15.724 -3.726 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.092 -6.063 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.496 -3.258 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.630 -4.470 -5.642 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.164 -3.004 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.759 -4.882 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.356 -5.210 -6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.118 -6.005 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.127 -3.530 -9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.521 -4.615 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.702 -2.866 -9.061 1.00 0.00 H new ATOM 61 N THR A 5 -15.194 -6.829 -5.483 1.00 0.00 N ATOM 62 CA THR A 5 -16.013 -7.502 -4.467 1.00 0.00 C ATOM 63 C THR A 5 -15.817 -6.877 -3.092 1.00 0.00 C ATOM 64 O THR A 5 -14.973 -6.006 -2.900 1.00 0.00 O ATOM 65 CB THR A 5 -15.647 -8.985 -4.381 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.310 -9.119 -3.922 1.00 0.00 O ATOM 67 CG2 THR A 5 -15.785 -9.637 -5.756 1.00 0.00 C ATOM 0 H THR A 5 -14.222 -7.136 -5.513 1.00 0.00 H new ATOM 0 HA THR A 5 -17.055 -7.389 -4.768 1.00 0.00 H new ATOM 0 HB THR A 5 -16.322 -9.480 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.077 -10.069 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.523 -10.693 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.814 -9.541 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.117 -9.143 -6.462 1.00 0.00 H new ATOM 75 N ASP A 6 -16.596 -7.363 -2.129 1.00 0.00 N ATOM 76 CA ASP A 6 -16.493 -6.891 -0.754 1.00 0.00 C ATOM 77 C ASP A 6 -15.279 -7.523 -0.087 1.00 0.00 C ATOM 78 O ASP A 6 -14.623 -6.911 0.758 1.00 0.00 O ATOM 79 CB ASP A 6 -17.751 -7.275 0.025 1.00 0.00 C ATOM 80 CG ASP A 6 -18.988 -6.745 -0.690 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.964 -5.597 -1.100 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.940 -7.497 -0.817 1.00 0.00 O ATOM 0 H ASP A 6 -17.304 -8.082 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.388 -5.806 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.813 -8.359 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.702 -6.868 1.035 1.00 0.00 H new ATOM 87 N GLU A 7 -15.008 -8.763 -0.470 1.00 0.00 N ATOM 88 CA GLU A 7 -13.888 -9.510 0.084 1.00 0.00 C ATOM 89 C GLU A 7 -12.564 -8.873 -0.292 1.00 0.00 C ATOM 90 O GLU A 7 -11.687 -8.717 0.550 1.00 0.00 O ATOM 91 CB GLU A 7 -13.916 -10.946 -0.439 1.00 0.00 C ATOM 92 CG GLU A 7 -15.141 -11.691 0.117 1.00 0.00 C ATOM 93 CD GLU A 7 -16.387 -11.334 -0.690 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.286 -10.485 -1.559 1.00 0.00 O ATOM 95 OE2 GLU A 7 -17.426 -11.917 -0.423 1.00 0.00 O ATOM 0 H GLU A 7 -15.551 -9.275 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.983 -9.503 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.947 -10.943 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.003 -11.465 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.970 -12.767 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.290 -11.429 1.165 1.00 0.00 H new ATOM 102 N GLN A 8 -12.429 -8.493 -1.549 1.00 0.00 N ATOM 103 CA GLN A 8 -11.199 -7.862 -2.005 1.00 0.00 C ATOM 104 C GLN A 8 -11.039 -6.491 -1.357 1.00 0.00 C ATOM 105 O GLN A 8 -9.924 -5.994 -1.187 1.00 0.00 O ATOM 106 CB GLN A 8 -11.222 -7.726 -3.536 1.00 0.00 C ATOM 107 CG GLN A 8 -11.065 -9.109 -4.181 1.00 0.00 C ATOM 108 CD GLN A 8 -11.255 -9.017 -5.696 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.395 -8.353 -6.417 1.00 0.00 O flip ATOM 110 NE2 GLN A 8 -12.214 -9.569 -6.235 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.145 -8.607 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.352 -8.484 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.158 -7.269 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.418 -7.068 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.078 -9.512 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.795 -9.799 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.887 -10.088 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.336 -9.507 -7.246 1.00 0.00 H new ATOM 119 N ILE A 9 -12.155 -5.914 -0.951 1.00 0.00 N ATOM 120 CA ILE A 9 -12.129 -4.616 -0.293 1.00 0.00 C ATOM 121 C ILE A 9 -11.835 -4.785 1.191 1.00 0.00 C ATOM 122 O ILE A 9 -10.916 -4.163 1.725 1.00 0.00 O ATOM 123 CB ILE A 9 -13.466 -3.905 -0.498 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.593 -3.524 -1.972 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.518 -2.644 0.366 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.031 -3.102 -2.270 1.00 0.00 C ATOM 0 H ILE A 9 -13.085 -6.318 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.338 -4.008 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.286 -4.563 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.908 -2.710 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.313 -4.368 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.473 -2.140 0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.412 -2.918 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.706 -1.975 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.120 -2.830 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.706 -3.929 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.294 -2.245 -1.651 1.00 0.00 H new ATOM 138 N SER A 10 -12.619 -5.618 1.853 1.00 0.00 N ATOM 139 CA SER A 10 -12.428 -5.838 3.278 1.00 0.00 C ATOM 140 C SER A 10 -11.027 -6.368 3.546 1.00 0.00 C ATOM 141 O SER A 10 -10.339 -5.895 4.453 1.00 0.00 O ATOM 142 CB SER A 10 -13.457 -6.834 3.797 1.00 0.00 C ATOM 143 OG SER A 10 -13.288 -6.996 5.200 1.00 0.00 O ATOM 0 H SER A 10 -13.384 -6.147 1.435 1.00 0.00 H new ATOM 0 HA SER A 10 -12.555 -4.887 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.465 -6.480 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.339 -7.793 3.292 1.00 0.00 H new ATOM 0 HG SER A 10 -13.950 -7.635 5.538 1.00 0.00 H new ATOM 149 N GLU A 11 -10.589 -7.341 2.744 1.00 0.00 N ATOM 150 CA GLU A 11 -9.256 -7.902 2.912 1.00 0.00 C ATOM 151 C GLU A 11 -8.211 -6.821 2.670 1.00 0.00 C ATOM 152 O GLU A 11 -7.209 -6.748 3.380 1.00 0.00 O ATOM 153 CB GLU A 11 -9.030 -9.051 1.930 1.00 0.00 C ATOM 154 CG GLU A 11 -9.709 -10.327 2.446 1.00 0.00 C ATOM 155 CD GLU A 11 -11.185 -10.069 2.727 1.00 0.00 C ATOM 156 OE1 GLU A 11 -11.472 -9.376 3.692 1.00 0.00 O ATOM 157 OE2 GLU A 11 -12.007 -10.573 1.983 1.00 0.00 O ATOM 0 H GLU A 11 -11.132 -7.749 1.983 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.166 -8.283 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.430 -8.787 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.962 -9.225 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.607 -11.124 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.214 -10.668 3.355 1.00 0.00 H new ATOM 164 N PHE A 12 -8.460 -5.956 1.676 1.00 0.00 N ATOM 165 CA PHE A 12 -7.547 -4.863 1.374 1.00 0.00 C ATOM 166 C PHE A 12 -7.453 -3.919 2.572 1.00 0.00 C ATOM 167 O PHE A 12 -6.368 -3.486 2.966 1.00 0.00 O ATOM 168 CB PHE A 12 -8.103 -4.112 0.142 1.00 0.00 C ATOM 169 CG PHE A 12 -7.566 -4.737 -1.139 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.341 -6.127 -1.207 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.294 -3.936 -2.257 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.848 -6.696 -2.382 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.805 -4.510 -3.429 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.582 -5.888 -3.495 1.00 0.00 C ATOM 0 H PHE A 12 -9.283 -5.998 1.075 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.548 -5.244 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.192 -4.149 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.820 -3.060 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.550 -6.751 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.464 -2.871 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.671 -7.760 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.598 -3.889 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.204 -6.330 -4.405 1.00 0.00 H new ATOM 184 N LYS A 13 -8.613 -3.606 3.124 1.00 0.00 N ATOM 185 CA LYS A 13 -8.722 -2.707 4.264 1.00 0.00 C ATOM 186 C LYS A 13 -8.027 -3.273 5.503 1.00 0.00 C ATOM 187 O LYS A 13 -7.344 -2.542 6.221 1.00 0.00 O ATOM 188 CB LYS A 13 -10.205 -2.478 4.553 1.00 0.00 C ATOM 189 CG LYS A 13 -10.403 -1.219 5.400 1.00 0.00 C ATOM 190 CD LYS A 13 -11.903 -0.951 5.534 1.00 0.00 C ATOM 191 CE LYS A 13 -12.132 0.379 6.244 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.430 0.373 7.562 1.00 0.00 N ATOM 0 H LYS A 13 -9.508 -3.968 2.795 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.227 -1.767 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.753 -2.381 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.617 -3.342 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.953 -1.351 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.907 -0.368 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.367 -0.931 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.377 -1.758 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.763 1.199 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.199 0.545 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.015 0.863 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.270 -0.609 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.516 0.861 7.471 1.00 0.00 H new ATOM 206 N GLU A 14 -8.192 -4.568 5.749 1.00 0.00 N ATOM 207 CA GLU A 14 -7.558 -5.193 6.903 1.00 0.00 C ATOM 208 C GLU A 14 -6.047 -5.135 6.733 1.00 0.00 C ATOM 209 O GLU A 14 -5.314 -4.840 7.675 1.00 0.00 O ATOM 210 CB GLU A 14 -8.010 -6.651 7.017 1.00 0.00 C ATOM 211 CG GLU A 14 -7.442 -7.278 8.296 1.00 0.00 C ATOM 212 CD GLU A 14 -7.920 -8.722 8.421 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.845 -9.081 7.711 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.354 -9.449 9.221 1.00 0.00 O ATOM 0 H GLU A 14 -8.751 -5.198 5.174 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.846 -4.662 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.099 -6.703 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.674 -7.214 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.353 -7.247 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.760 -6.703 9.166 1.00 0.00 H new ATOM 221 N ALA A 15 -5.599 -5.401 5.513 1.00 0.00 N ATOM 222 CA ALA A 15 -4.177 -5.370 5.202 1.00 0.00 C ATOM 223 C ALA A 15 -3.599 -3.993 5.483 1.00 0.00 C ATOM 224 O ALA A 15 -2.556 -3.860 6.110 1.00 0.00 O ATOM 225 CB ALA A 15 -3.971 -5.700 3.720 1.00 0.00 C ATOM 0 H ALA A 15 -6.199 -5.640 4.724 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.670 -6.105 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.907 -5.677 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.367 -6.694 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.493 -4.965 3.108 1.00 0.00 H new ATOM 231 N PHE A 16 -4.257 -2.962 4.976 1.00 0.00 N ATOM 232 CA PHE A 16 -3.792 -1.598 5.147 1.00 0.00 C ATOM 233 C PHE A 16 -3.841 -1.110 6.604 1.00 0.00 C ATOM 234 O PHE A 16 -2.884 -0.498 7.076 1.00 0.00 O ATOM 235 CB PHE A 16 -4.637 -0.704 4.257 1.00 0.00 C ATOM 236 CG PHE A 16 -4.243 0.735 4.452 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.833 1.485 5.474 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.289 1.317 3.612 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.473 2.824 5.656 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.927 2.657 3.794 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.520 3.412 4.813 1.00 0.00 C ATOM 0 H PHE A 16 -5.120 -3.047 4.440 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.740 -1.559 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.506 -0.987 3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.693 -0.836 4.493 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.567 1.030 6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.833 0.735 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.929 3.404 6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.189 3.109 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.243 4.447 4.949 1.00 0.00 H new ATOM 251 N SER A 17 -4.931 -1.382 7.321 1.00 0.00 N ATOM 252 CA SER A 17 -5.015 -0.947 8.722 1.00 0.00 C ATOM 253 C SER A 17 -3.955 -1.678 9.523 1.00 0.00 C ATOM 254 O SER A 17 -3.339 -1.124 10.435 1.00 0.00 O ATOM 255 CB SER A 17 -6.393 -1.233 9.320 1.00 0.00 C ATOM 256 OG SER A 17 -6.664 -2.626 9.249 1.00 0.00 O ATOM 0 H SER A 17 -5.747 -1.885 6.973 1.00 0.00 H new ATOM 0 HA SER A 17 -4.853 0.130 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.427 -0.898 10.357 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.158 -0.675 8.779 1.00 0.00 H new ATOM 0 HG SER A 17 -6.841 -2.878 8.319 1.00 0.00 H new ATOM 262 N LEU A 18 -3.734 -2.918 9.134 1.00 0.00 N ATOM 263 CA LEU A 18 -2.730 -3.767 9.748 1.00 0.00 C ATOM 264 C LEU A 18 -1.340 -3.169 9.510 1.00 0.00 C ATOM 265 O LEU A 18 -0.480 -3.194 10.390 1.00 0.00 O ATOM 266 CB LEU A 18 -2.867 -5.149 9.094 1.00 0.00 C ATOM 267 CG LEU A 18 -1.811 -6.144 9.572 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.068 -6.543 11.029 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.904 -7.388 8.676 1.00 0.00 C ATOM 0 H LEU A 18 -4.249 -3.369 8.378 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.866 -3.848 10.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.858 -5.549 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.793 -5.041 8.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.821 -5.693 9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.306 -7.252 11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.030 -5.656 11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.052 -7.005 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.161 -8.120 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.900 -7.823 8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.717 -7.105 7.640 1.00 0.00 H new ATOM 281 N PHE A 19 -1.132 -2.635 8.305 1.00 0.00 N ATOM 282 CA PHE A 19 0.156 -2.039 7.938 1.00 0.00 C ATOM 283 C PHE A 19 0.415 -0.783 8.768 1.00 0.00 C ATOM 284 O PHE A 19 1.543 -0.296 8.838 1.00 0.00 O ATOM 285 CB PHE A 19 0.165 -1.669 6.443 1.00 0.00 C ATOM 286 CG PHE A 19 0.370 -2.900 5.562 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.025 -4.187 6.022 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.909 -2.749 4.274 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.213 -5.295 5.205 1.00 0.00 C ATOM 290 CE2 PHE A 19 1.097 -3.875 3.457 1.00 0.00 C ATOM 291 CZ PHE A 19 0.741 -5.147 3.930 1.00 0.00 C ATOM 0 H PHE A 19 -1.836 -2.603 7.568 1.00 0.00 H new ATOM 0 HA PHE A 19 0.940 -2.770 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.776 -1.186 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.958 -0.947 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.387 -4.312 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.179 -1.768 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.053 -6.278 5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.514 -3.762 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.878 -6.014 3.300 1.00 0.00 H new ATOM 301 N ASP A 20 -0.631 -0.252 9.396 1.00 0.00 N ATOM 302 CA ASP A 20 -0.484 0.952 10.209 1.00 0.00 C ATOM 303 C ASP A 20 -0.268 0.607 11.681 1.00 0.00 C ATOM 304 O ASP A 20 -1.228 0.499 12.448 1.00 0.00 O ATOM 305 CB ASP A 20 -1.739 1.810 10.059 1.00 0.00 C ATOM 306 CG ASP A 20 -1.468 3.227 10.558 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.379 3.458 11.054 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.351 4.063 10.431 1.00 0.00 O ATOM 0 H ASP A 20 -1.578 -0.630 9.359 1.00 0.00 H new ATOM 0 HA ASP A 20 0.392 1.500 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.048 1.837 9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.561 1.368 10.623 1.00 0.00 H new ATOM 313 N LYS A 21 0.992 0.413 12.068 1.00 0.00 N ATOM 314 CA LYS A 21 1.308 0.058 13.456 1.00 0.00 C ATOM 315 C LYS A 21 0.585 0.970 14.447 1.00 0.00 C ATOM 316 O LYS A 21 0.111 0.505 15.482 1.00 0.00 O ATOM 317 CB LYS A 21 2.815 0.160 13.717 1.00 0.00 C ATOM 318 CG LYS A 21 3.550 -1.010 13.062 1.00 0.00 C ATOM 319 CD LYS A 21 5.039 -0.943 13.425 1.00 0.00 C ATOM 320 CE LYS A 21 5.748 -2.189 12.899 1.00 0.00 C ATOM 321 NZ LYS A 21 7.176 -2.174 13.328 1.00 0.00 N ATOM 0 H LYS A 21 1.802 0.493 11.453 1.00 0.00 H new ATOM 0 HA LYS A 21 0.973 -0.969 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.196 1.103 13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.005 0.162 14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.124 -1.955 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.426 -0.972 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.489 -0.047 12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.158 -0.873 14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.255 -3.086 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.685 -2.223 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.579 -3.128 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.710 -1.508 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.237 -1.876 14.322 1.00 0.00 H new ATOM 335 N ASP A 22 0.524 2.265 14.148 1.00 0.00 N ATOM 336 CA ASP A 22 -0.128 3.216 15.050 1.00 0.00 C ATOM 337 C ASP A 22 -1.605 3.407 14.698 1.00 0.00 C ATOM 338 O ASP A 22 -2.403 3.791 15.549 1.00 0.00 O ATOM 339 CB ASP A 22 0.597 4.555 14.952 1.00 0.00 C ATOM 340 CG ASP A 22 0.694 4.986 13.494 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.334 5.006 12.833 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.789 5.296 13.061 1.00 0.00 O ATOM 0 H ASP A 22 0.912 2.678 13.300 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.078 2.823 16.065 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.064 5.310 15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.595 4.471 15.383 1.00 0.00 H new ATOM 347 N GLY A 23 -1.956 3.151 13.444 1.00 0.00 N ATOM 348 CA GLY A 23 -3.345 3.321 13.013 1.00 0.00 C ATOM 349 C GLY A 23 -3.679 4.797 12.809 1.00 0.00 C ATOM 350 O GLY A 23 -4.813 5.221 13.044 1.00 0.00 O ATOM 0 H GLY A 23 -1.316 2.831 12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.510 2.775 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.016 2.893 13.758 1.00 0.00 H new ATOM 354 N ASP A 24 -2.691 5.571 12.372 1.00 0.00 N ATOM 355 CA ASP A 24 -2.889 7.001 12.140 1.00 0.00 C ATOM 356 C ASP A 24 -3.716 7.242 10.882 1.00 0.00 C ATOM 357 O ASP A 24 -4.095 8.374 10.585 1.00 0.00 O ATOM 358 CB ASP A 24 -1.541 7.701 11.982 1.00 0.00 C ATOM 359 CG ASP A 24 -0.738 7.592 13.268 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.347 7.538 14.325 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.480 7.557 13.177 1.00 0.00 O ATOM 0 H ASP A 24 -1.749 5.236 12.172 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.421 7.405 13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.985 7.253 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.695 8.750 11.729 1.00 0.00 H new ATOM 366 N GLY A 25 -3.985 6.174 10.134 1.00 0.00 N ATOM 367 CA GLY A 25 -4.765 6.287 8.902 1.00 0.00 C ATOM 368 C GLY A 25 -3.851 6.446 7.693 1.00 0.00 C ATOM 369 O GLY A 25 -4.323 6.595 6.565 1.00 0.00 O ATOM 0 H GLY A 25 -3.678 5.227 10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.388 5.401 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.437 7.142 8.970 1.00 0.00 H new ATOM 373 N CYS A 26 -2.539 6.402 7.923 1.00 0.00 N ATOM 374 CA CYS A 26 -1.575 6.534 6.830 1.00 0.00 C ATOM 375 C CYS A 26 -0.362 5.636 7.056 1.00 0.00 C ATOM 376 O CYS A 26 0.168 5.554 8.166 1.00 0.00 O ATOM 377 CB CYS A 26 -1.112 7.991 6.702 1.00 0.00 C ATOM 378 SG CYS A 26 -0.539 8.595 8.310 1.00 0.00 S ATOM 0 H CYS A 26 -2.122 6.277 8.846 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.072 6.227 5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.309 8.064 5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.931 8.612 6.341 1.00 0.00 H new ATOM 0 HG CYS A 26 0.006 7.617 8.972 1.00 0.00 H new ATOM 384 N ILE A 27 0.091 4.987 5.983 1.00 0.00 N ATOM 385 CA ILE A 27 1.269 4.127 6.052 1.00 0.00 C ATOM 386 C ILE A 27 2.467 4.935 5.587 1.00 0.00 C ATOM 387 O ILE A 27 2.451 5.500 4.490 1.00 0.00 O ATOM 388 CB ILE A 27 1.123 2.909 5.126 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.129 2.111 5.489 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.346 1.990 5.246 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.362 1.030 4.430 1.00 0.00 C ATOM 0 H ILE A 27 -0.339 5.041 5.060 1.00 0.00 H new ATOM 0 HA ILE A 27 1.390 3.775 7.076 1.00 0.00 H new ATOM 0 HB ILE A 27 1.042 3.275 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.012 1.655 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.993 2.773 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.224 1.133 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.244 2.541 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.440 1.642 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.254 0.458 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.497 1.499 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.499 0.363 4.395 1.00 0.00 H new ATOM 403 N THR A 28 3.513 4.977 6.404 1.00 0.00 N ATOM 404 CA THR A 28 4.721 5.697 6.029 1.00 0.00 C ATOM 405 C THR A 28 5.656 4.729 5.312 1.00 0.00 C ATOM 406 O THR A 28 5.397 3.524 5.279 1.00 0.00 O ATOM 407 CB THR A 28 5.386 6.325 7.265 1.00 0.00 C ATOM 408 OG1 THR A 28 5.511 5.353 8.288 1.00 0.00 O ATOM 409 CG2 THR A 28 4.529 7.491 7.769 1.00 0.00 C ATOM 0 H THR A 28 3.549 4.527 7.319 1.00 0.00 H new ATOM 0 HA THR A 28 4.475 6.518 5.356 1.00 0.00 H new ATOM 0 HB THR A 28 6.376 6.691 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.936 5.757 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.000 7.937 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.439 8.242 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.538 7.125 8.037 1.00 0.00 H new ATOM 417 N THR A 29 6.721 5.240 4.722 1.00 0.00 N ATOM 418 CA THR A 29 7.649 4.378 3.998 1.00 0.00 C ATOM 419 C THR A 29 8.278 3.349 4.932 1.00 0.00 C ATOM 420 O THR A 29 8.288 2.162 4.628 1.00 0.00 O ATOM 421 CB THR A 29 8.743 5.217 3.345 1.00 0.00 C ATOM 422 OG1 THR A 29 9.308 6.086 4.315 1.00 0.00 O ATOM 423 CG2 THR A 29 8.140 6.037 2.204 1.00 0.00 C ATOM 0 H THR A 29 6.966 6.230 4.726 1.00 0.00 H new ATOM 0 HA THR A 29 7.089 3.849 3.226 1.00 0.00 H new ATOM 0 HB THR A 29 9.521 4.565 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.792 6.809 3.864 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.920 6.637 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.705 5.366 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.364 6.693 2.598 1.00 0.00 H new ATOM 431 N LYS A 30 8.788 3.813 6.066 1.00 0.00 N ATOM 432 CA LYS A 30 9.407 2.919 7.041 1.00 0.00 C ATOM 433 C LYS A 30 8.424 1.832 7.462 1.00 0.00 C ATOM 434 O LYS A 30 8.775 0.652 7.547 1.00 0.00 O ATOM 435 CB LYS A 30 9.837 3.727 8.269 1.00 0.00 C ATOM 436 CG LYS A 30 8.601 4.154 9.074 1.00 0.00 C ATOM 437 CD LYS A 30 8.998 5.224 10.093 1.00 0.00 C ATOM 438 CE LYS A 30 9.999 4.641 11.099 1.00 0.00 C ATOM 439 NZ LYS A 30 11.371 4.684 10.519 1.00 0.00 N ATOM 0 H LYS A 30 8.786 4.797 6.334 1.00 0.00 H new ATOM 0 HA LYS A 30 10.278 2.447 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.500 3.129 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.400 4.607 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.834 4.542 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.171 3.292 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.439 6.080 9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.113 5.587 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.968 5.209 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.728 3.614 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.687 3.717 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.361 5.248 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.024 5.117 11.203 1.00 0.00 H new ATOM 453 N GLU A 31 7.189 2.247 7.691 1.00 0.00 N ATOM 454 CA GLU A 31 6.128 1.324 8.069 1.00 0.00 C ATOM 455 C GLU A 31 5.933 0.324 6.949 1.00 0.00 C ATOM 456 O GLU A 31 5.928 -0.890 7.169 1.00 0.00 O ATOM 457 CB GLU A 31 4.840 2.110 8.300 1.00 0.00 C ATOM 458 CG GLU A 31 4.930 2.867 9.624 1.00 0.00 C ATOM 459 CD GLU A 31 3.765 3.846 9.750 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.904 3.832 8.885 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.756 4.598 10.708 1.00 0.00 O ATOM 0 H GLU A 31 6.894 3.221 7.622 1.00 0.00 H new ATOM 0 HA GLU A 31 6.392 0.796 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.677 2.810 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.986 1.432 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.915 2.163 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.876 3.406 9.680 1.00 0.00 H new ATOM 468 N LEU A 32 5.818 0.847 5.744 1.00 0.00 N ATOM 469 CA LEU A 32 5.676 0.008 4.574 1.00 0.00 C ATOM 470 C LEU A 32 6.937 -0.823 4.433 1.00 0.00 C ATOM 471 O LEU A 32 6.886 -2.015 4.135 1.00 0.00 O ATOM 472 CB LEU A 32 5.442 0.884 3.338 1.00 0.00 C ATOM 473 CG LEU A 32 5.427 0.029 2.037 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.389 0.588 1.060 1.00 0.00 C ATOM 475 CD2 LEU A 32 6.805 0.067 1.358 1.00 0.00 C ATOM 0 H LEU A 32 5.820 1.849 5.551 1.00 0.00 H new ATOM 0 HA LEU A 32 4.819 -0.658 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.495 1.414 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.225 1.639 3.271 1.00 0.00 H new ATOM 0 HG LEU A 32 5.177 -0.998 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.383 -0.014 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.402 0.558 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.642 1.618 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.780 -0.535 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.057 1.097 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.557 -0.334 2.038 1.00 0.00 H new ATOM 487 N GLY A 33 8.070 -0.180 4.669 1.00 0.00 N ATOM 488 CA GLY A 33 9.349 -0.857 4.593 1.00 0.00 C ATOM 489 C GLY A 33 9.421 -1.981 5.624 1.00 0.00 C ATOM 490 O GLY A 33 9.912 -3.071 5.328 1.00 0.00 O ATOM 0 H GLY A 33 8.127 0.808 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.493 -1.264 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.155 -0.144 4.766 1.00 0.00 H new ATOM 494 N THR A 34 8.906 -1.716 6.824 1.00 0.00 N ATOM 495 CA THR A 34 8.904 -2.733 7.873 1.00 0.00 C ATOM 496 C THR A 34 8.245 -3.977 7.313 1.00 0.00 C ATOM 497 O THR A 34 8.753 -5.087 7.433 1.00 0.00 O ATOM 498 CB THR A 34 8.093 -2.235 9.076 1.00 0.00 C ATOM 499 OG1 THR A 34 8.525 -0.931 9.432 1.00 0.00 O ATOM 500 CG2 THR A 34 8.281 -3.178 10.264 1.00 0.00 C ATOM 0 H THR A 34 8.492 -0.823 7.091 1.00 0.00 H new ATOM 0 HA THR A 34 9.924 -2.945 8.194 1.00 0.00 H new ATOM 0 HB THR A 34 7.037 -2.210 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.174 -0.282 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.701 -2.815 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.940 -4.177 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.336 -3.215 10.535 1.00 0.00 H new ATOM 508 N VAL A 35 7.096 -3.742 6.706 1.00 0.00 N ATOM 509 CA VAL A 35 6.306 -4.793 6.106 1.00 0.00 C ATOM 510 C VAL A 35 7.037 -5.435 4.924 1.00 0.00 C ATOM 511 O VAL A 35 7.117 -6.661 4.838 1.00 0.00 O ATOM 512 CB VAL A 35 4.972 -4.185 5.668 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.191 -5.164 4.799 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.168 -3.844 6.928 1.00 0.00 C ATOM 0 H VAL A 35 6.686 -2.812 6.617 1.00 0.00 H new ATOM 0 HA VAL A 35 6.134 -5.588 6.831 1.00 0.00 H new ATOM 0 HB VAL A 35 5.153 -3.287 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.246 -4.711 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.774 -5.408 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.993 -6.075 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.211 -3.408 6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.995 -4.752 7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.726 -3.129 7.533 1.00 0.00 H new ATOM 524 N MET A 36 7.581 -4.619 4.025 1.00 0.00 N ATOM 525 CA MET A 36 8.302 -5.156 2.880 1.00 0.00 C ATOM 526 C MET A 36 9.540 -5.906 3.359 1.00 0.00 C ATOM 527 O MET A 36 9.818 -7.017 2.918 1.00 0.00 O ATOM 528 CB MET A 36 8.704 -4.009 1.957 1.00 0.00 C ATOM 529 CG MET A 36 7.485 -3.527 1.157 1.00 0.00 C ATOM 530 SD MET A 36 6.990 -4.801 -0.032 1.00 0.00 S ATOM 531 CE MET A 36 5.347 -4.143 -0.401 1.00 0.00 C ATOM 0 H MET A 36 7.537 -3.601 4.067 1.00 0.00 H new ATOM 0 HA MET A 36 7.662 -5.849 2.333 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.113 -3.186 2.543 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.489 -4.337 1.276 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.659 -3.306 1.833 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.725 -2.601 0.634 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.852 -4.787 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.755 -4.107 0.514 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.441 -3.138 -0.811 1.00 0.00 H new ATOM 541 N ARG A 37 10.253 -5.300 4.303 1.00 0.00 N ATOM 542 CA ARG A 37 11.450 -5.907 4.874 1.00 0.00 C ATOM 543 C ARG A 37 11.168 -7.329 5.322 1.00 0.00 C ATOM 544 O ARG A 37 11.897 -8.268 4.992 1.00 0.00 O ATOM 545 CB ARG A 37 11.835 -5.093 6.111 1.00 0.00 C ATOM 546 CG ARG A 37 13.144 -5.603 6.724 1.00 0.00 C ATOM 547 CD ARG A 37 13.455 -4.782 7.983 1.00 0.00 C ATOM 548 NE ARG A 37 13.712 -3.392 7.624 1.00 0.00 N ATOM 549 CZ ARG A 37 13.982 -2.473 8.550 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.040 -2.807 9.811 1.00 0.00 N ATOM 551 NH2 ARG A 37 14.185 -1.233 8.195 1.00 0.00 N ATOM 0 H ARG A 37 10.021 -4.385 4.690 1.00 0.00 H new ATOM 0 HA ARG A 37 12.243 -5.919 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.942 -4.043 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.037 -5.151 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.056 -6.660 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.958 -5.513 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.618 -4.837 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.322 -5.200 8.494 1.00 0.00 H new ATOM 0 HE ARG A 37 13.684 -3.117 6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.878 -3.775 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.247 -2.100 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.137 -0.970 7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.392 -0.527 8.902 1.00 0.00 H new ATOM 565 N SER A 38 10.114 -7.457 6.098 1.00 0.00 N ATOM 566 CA SER A 38 9.705 -8.746 6.639 1.00 0.00 C ATOM 567 C SER A 38 9.193 -9.682 5.544 1.00 0.00 C ATOM 568 O SER A 38 9.245 -10.901 5.691 1.00 0.00 O ATOM 569 CB SER A 38 8.597 -8.533 7.665 1.00 0.00 C ATOM 570 OG SER A 38 7.498 -7.884 7.041 1.00 0.00 O ATOM 0 H SER A 38 9.516 -6.678 6.374 1.00 0.00 H new ATOM 0 HA SER A 38 10.577 -9.207 7.103 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.281 -9.490 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.966 -7.931 8.496 1.00 0.00 H new ATOM 0 HG SER A 38 7.769 -7.559 6.157 1.00 0.00 H new ATOM 576 N LEU A 39 8.672 -9.106 4.464 1.00 0.00 N ATOM 577 CA LEU A 39 8.120 -9.907 3.368 1.00 0.00 C ATOM 578 C LEU A 39 9.220 -10.486 2.468 1.00 0.00 C ATOM 579 O LEU A 39 9.047 -10.579 1.253 1.00 0.00 O ATOM 580 CB LEU A 39 7.147 -9.051 2.541 1.00 0.00 C ATOM 581 CG LEU A 39 5.803 -8.885 3.287 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.975 -7.772 2.627 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.997 -10.200 3.251 1.00 0.00 C ATOM 0 H LEU A 39 8.619 -8.097 4.322 1.00 0.00 H new ATOM 0 HA LEU A 39 7.585 -10.750 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.587 -8.072 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.976 -9.519 1.571 1.00 0.00 H new ATOM 0 HG LEU A 39 6.016 -8.624 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.029 -7.659 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.528 -6.834 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.780 -8.032 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.054 -10.064 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.795 -10.475 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.572 -10.992 3.731 1.00 0.00 H new ATOM 595 N GLY A 40 10.341 -10.895 3.065 1.00 0.00 N ATOM 596 CA GLY A 40 11.435 -11.484 2.296 1.00 0.00 C ATOM 597 C GLY A 40 12.050 -10.479 1.327 1.00 0.00 C ATOM 598 O GLY A 40 13.069 -10.756 0.695 1.00 0.00 O ATOM 0 H GLY A 40 10.513 -10.830 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.203 -11.849 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.066 -12.346 1.740 1.00 0.00 H new ATOM 602 N GLN A 41 11.431 -9.311 1.224 1.00 0.00 N ATOM 603 CA GLN A 41 11.928 -8.260 0.339 1.00 0.00 C ATOM 604 C GLN A 41 12.917 -7.381 1.103 1.00 0.00 C ATOM 605 O GLN A 41 12.806 -7.230 2.318 1.00 0.00 O ATOM 606 CB GLN A 41 10.756 -7.413 -0.166 1.00 0.00 C ATOM 607 CG GLN A 41 9.878 -8.241 -1.102 1.00 0.00 C ATOM 608 CD GLN A 41 8.663 -7.418 -1.518 1.00 0.00 C ATOM 609 OE1 GLN A 41 8.805 -6.268 -1.936 1.00 0.00 O ATOM 610 NE2 GLN A 41 7.469 -7.934 -1.420 1.00 0.00 N ATOM 0 H GLN A 41 10.586 -9.065 1.740 1.00 0.00 H new ATOM 0 HA GLN A 41 12.433 -8.710 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.166 -7.055 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.131 -6.533 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.447 -8.540 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.558 -9.156 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.352 -8.886 -1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.653 -7.385 -1.690 1.00 0.00 H new ATOM 619 N ASN A 42 13.894 -6.812 0.396 1.00 0.00 N ATOM 620 CA ASN A 42 14.903 -5.959 1.037 1.00 0.00 C ATOM 621 C ASN A 42 15.127 -4.672 0.247 1.00 0.00 C ATOM 622 O ASN A 42 16.213 -4.450 -0.282 1.00 0.00 O ATOM 623 CB ASN A 42 16.232 -6.718 1.141 1.00 0.00 C ATOM 624 CG ASN A 42 16.536 -7.424 -0.176 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.235 -8.686 -0.313 1.00 0.00 O flip ATOM 626 ND2 ASN A 42 17.063 -6.809 -1.104 1.00 0.00 N flip ATOM 0 H ASN A 42 14.010 -6.923 -0.611 1.00 0.00 H new ATOM 0 HA ASN A 42 14.538 -5.698 2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.037 -6.025 1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.181 -7.447 1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.297 -5.822 -0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.265 -7.286 -1.982 1.00 0.00 H new ATOM 633 N PRO A 43 14.137 -3.825 0.160 1.00 0.00 N ATOM 634 CA PRO A 43 14.258 -2.536 -0.581 1.00 0.00 C ATOM 635 C PRO A 43 15.031 -1.502 0.222 1.00 0.00 C ATOM 636 O PRO A 43 15.043 -1.542 1.452 1.00 0.00 O ATOM 637 CB PRO A 43 12.800 -2.099 -0.764 1.00 0.00 C ATOM 638 CG PRO A 43 12.114 -2.634 0.450 1.00 0.00 C ATOM 639 CD PRO A 43 12.796 -3.978 0.755 1.00 0.00 C ATOM 0 HA PRO A 43 14.801 -2.641 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.712 -1.014 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.371 -2.508 -1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.211 -1.946 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.047 -2.768 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.851 -4.166 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.253 -4.813 0.313 1.00 0.00 H new ATOM 647 N THR A 44 15.628 -0.541 -0.471 1.00 0.00 N ATOM 648 CA THR A 44 16.339 0.531 0.205 1.00 0.00 C ATOM 649 C THR A 44 15.369 1.691 0.383 1.00 0.00 C ATOM 650 O THR A 44 14.355 1.774 -0.301 1.00 0.00 O ATOM 651 CB THR A 44 17.564 0.976 -0.605 1.00 0.00 C ATOM 652 OG1 THR A 44 18.143 -0.155 -1.239 1.00 0.00 O ATOM 653 CG2 THR A 44 18.594 1.624 0.327 1.00 0.00 C ATOM 0 H THR A 44 15.634 -0.483 -1.489 1.00 0.00 H new ATOM 0 HA THR A 44 16.701 0.184 1.173 1.00 0.00 H new ATOM 0 HB THR A 44 17.256 1.701 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.925 0.126 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.462 1.938 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.149 2.492 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.904 0.903 1.083 1.00 0.00 H new ATOM 661 N GLU A 45 15.670 2.565 1.309 1.00 0.00 N ATOM 662 CA GLU A 45 14.791 3.700 1.582 1.00 0.00 C ATOM 663 C GLU A 45 14.606 4.579 0.348 1.00 0.00 C ATOM 664 O GLU A 45 13.533 5.145 0.145 1.00 0.00 O ATOM 665 CB GLU A 45 15.351 4.531 2.755 1.00 0.00 C ATOM 666 CG GLU A 45 16.855 4.306 2.857 1.00 0.00 C ATOM 667 CD GLU A 45 17.463 5.315 3.814 1.00 0.00 C ATOM 668 OE1 GLU A 45 16.778 6.264 4.156 1.00 0.00 O ATOM 669 OE2 GLU A 45 18.606 5.125 4.191 1.00 0.00 O ATOM 0 H GLU A 45 16.508 2.524 1.889 1.00 0.00 H new ATOM 0 HA GLU A 45 13.811 3.308 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.139 5.589 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.864 4.241 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.057 3.293 3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.314 4.402 1.873 1.00 0.00 H new ATOM 676 N ALA A 46 15.631 4.686 -0.482 1.00 0.00 N ATOM 677 CA ALA A 46 15.521 5.497 -1.688 1.00 0.00 C ATOM 678 C ALA A 46 14.393 4.961 -2.545 1.00 0.00 C ATOM 679 O ALA A 46 13.648 5.719 -3.165 1.00 0.00 O ATOM 680 CB ALA A 46 16.828 5.440 -2.487 1.00 0.00 C ATOM 0 H ALA A 46 16.534 4.231 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 46 15.321 6.530 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.732 6.050 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.645 5.821 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.037 4.408 -2.770 1.00 0.00 H new ATOM 686 N GLU A 47 14.301 3.643 -2.587 1.00 0.00 N ATOM 687 CA GLU A 47 13.292 2.970 -3.378 1.00 0.00 C ATOM 688 C GLU A 47 11.893 3.186 -2.788 1.00 0.00 C ATOM 689 O GLU A 47 10.948 3.497 -3.512 1.00 0.00 O ATOM 690 CB GLU A 47 13.655 1.484 -3.425 1.00 0.00 C ATOM 691 CG GLU A 47 15.002 1.348 -4.139 1.00 0.00 C ATOM 692 CD GLU A 47 15.489 -0.095 -4.122 1.00 0.00 C ATOM 693 OE1 GLU A 47 14.768 -0.942 -3.624 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.587 -0.330 -4.603 1.00 0.00 O ATOM 0 H GLU A 47 14.921 3.015 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 47 13.268 3.380 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.715 1.074 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.886 0.920 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.907 1.691 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.739 1.990 -3.656 1.00 0.00 H new ATOM 701 N LEU A 48 11.772 3.032 -1.469 1.00 0.00 N ATOM 702 CA LEU A 48 10.481 3.218 -0.795 1.00 0.00 C ATOM 703 C LEU A 48 9.998 4.657 -0.930 1.00 0.00 C ATOM 704 O LEU A 48 8.824 4.912 -1.199 1.00 0.00 O ATOM 705 CB LEU A 48 10.626 2.912 0.691 1.00 0.00 C ATOM 706 CG LEU A 48 11.241 1.537 0.874 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.445 1.282 2.370 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.321 0.473 0.273 1.00 0.00 C ATOM 0 H LEU A 48 12.542 2.782 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 48 9.763 2.544 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.251 3.667 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.651 2.952 1.177 1.00 0.00 H new ATOM 0 HG LEU A 48 12.203 1.488 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.887 0.296 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.110 2.041 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.483 1.327 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.768 -0.512 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.353 0.504 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.186 0.668 -0.791 1.00 0.00 H new ATOM 720 N GLN A 49 10.923 5.591 -0.742 1.00 0.00 N ATOM 721 CA GLN A 49 10.596 7.005 -0.846 1.00 0.00 C ATOM 722 C GLN A 49 10.093 7.305 -2.245 1.00 0.00 C ATOM 723 O GLN A 49 9.056 7.929 -2.433 1.00 0.00 O ATOM 724 CB GLN A 49 11.843 7.846 -0.569 1.00 0.00 C ATOM 725 CG GLN A 49 12.175 7.819 0.920 1.00 0.00 C ATOM 726 CD GLN A 49 11.115 8.589 1.699 1.00 0.00 C ATOM 727 OE1 GLN A 49 10.655 8.101 2.817 1.00 0.00 O flip ATOM 728 NE2 GLN A 49 10.701 9.668 1.280 1.00 0.00 N flip ATOM 0 H GLN A 49 11.899 5.395 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 49 9.824 7.249 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.685 7.461 -1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.678 8.873 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.222 6.789 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.157 8.260 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.062 10.048 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.996 10.183 1.807 1.00 0.00 H new ATOM 737 N ASP A 50 10.840 6.844 -3.223 1.00 0.00 N ATOM 738 CA ASP A 50 10.482 7.044 -4.607 1.00 0.00 C ATOM 739 C ASP A 50 9.195 6.285 -4.932 1.00 0.00 C ATOM 740 O ASP A 50 8.381 6.730 -5.745 1.00 0.00 O ATOM 741 CB ASP A 50 11.636 6.557 -5.466 1.00 0.00 C ATOM 742 CG ASP A 50 12.798 7.545 -5.388 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.582 8.649 -4.913 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.887 7.183 -5.799 1.00 0.00 O ATOM 0 H ASP A 50 11.706 6.324 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 50 10.298 8.100 -4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.961 5.573 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.310 6.448 -6.500 1.00 0.00 H new ATOM 749 N MET A 51 9.015 5.144 -4.281 1.00 0.00 N ATOM 750 CA MET A 51 7.820 4.333 -4.487 1.00 0.00 C ATOM 751 C MET A 51 6.595 5.078 -3.989 1.00 0.00 C ATOM 752 O MET A 51 5.540 5.093 -4.629 1.00 0.00 O ATOM 753 CB MET A 51 7.957 3.016 -3.718 1.00 0.00 C ATOM 754 CG MET A 51 6.739 2.130 -3.984 1.00 0.00 C ATOM 755 SD MET A 51 6.999 0.508 -3.225 1.00 0.00 S ATOM 756 CE MET A 51 7.658 -0.334 -4.687 1.00 0.00 C ATOM 0 H MET A 51 9.678 4.759 -3.608 1.00 0.00 H new ATOM 0 HA MET A 51 7.709 4.128 -5.552 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.867 2.499 -4.023 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.046 3.216 -2.650 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.841 2.595 -3.576 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.582 2.021 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.890 -1.369 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.916 -0.311 -5.485 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.565 0.171 -5.020 1.00 0.00 H new ATOM 766 N ILE A 52 6.754 5.702 -2.839 1.00 0.00 N ATOM 767 CA ILE A 52 5.674 6.457 -2.224 1.00 0.00 C ATOM 768 C ILE A 52 5.305 7.668 -3.080 1.00 0.00 C ATOM 769 O ILE A 52 4.130 7.934 -3.307 1.00 0.00 O ATOM 770 CB ILE A 52 6.133 6.893 -0.785 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.053 6.543 0.257 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.433 8.408 -0.677 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.009 5.025 0.505 1.00 0.00 C ATOM 0 H ILE A 52 7.624 5.702 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 52 4.781 5.837 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 52 7.055 6.346 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.260 7.063 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.079 6.888 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.745 8.646 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.230 8.671 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.535 8.975 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.240 4.799 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.778 4.510 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.978 4.689 0.875 1.00 0.00 H new ATOM 785 N ASN A 53 6.328 8.402 -3.503 1.00 0.00 N ATOM 786 CA ASN A 53 6.150 9.619 -4.281 1.00 0.00 C ATOM 787 C ASN A 53 5.541 9.360 -5.661 1.00 0.00 C ATOM 788 O ASN A 53 4.873 10.239 -6.214 1.00 0.00 O ATOM 789 CB ASN A 53 7.492 10.333 -4.427 1.00 0.00 C ATOM 790 CG ASN A 53 8.076 10.639 -3.045 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.358 11.087 -2.151 1.00 0.00 O ATOM 792 ND2 ASN A 53 9.343 10.423 -2.819 1.00 0.00 N ATOM 0 H ASN A 53 7.303 8.169 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 53 5.444 10.249 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.185 9.711 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.362 11.258 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.739 10.625 -1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.937 10.052 -3.560 1.00 0.00 H new ATOM 799 N GLU A 54 5.777 8.178 -6.224 1.00 0.00 N ATOM 800 CA GLU A 54 5.247 7.843 -7.539 1.00 0.00 C ATOM 801 C GLU A 54 3.729 7.707 -7.497 1.00 0.00 C ATOM 802 O GLU A 54 3.013 8.212 -8.359 1.00 0.00 O ATOM 803 CB GLU A 54 5.860 6.514 -7.966 1.00 0.00 C ATOM 804 CG GLU A 54 5.684 6.317 -9.465 1.00 0.00 C ATOM 805 CD GLU A 54 6.338 5.003 -9.900 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.734 3.963 -9.696 1.00 0.00 O ATOM 807 OE2 GLU A 54 7.442 5.057 -10.421 1.00 0.00 O ATOM 0 H GLU A 54 6.330 7.439 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 54 5.496 8.636 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.919 6.494 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.386 5.695 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.624 6.306 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.131 7.152 -10.005 1.00 0.00 H new ATOM 814 N VAL A 55 3.259 6.998 -6.473 1.00 0.00 N ATOM 815 CA VAL A 55 1.832 6.758 -6.278 1.00 0.00 C ATOM 816 C VAL A 55 1.208 7.869 -5.447 1.00 0.00 C ATOM 817 O VAL A 55 -0.001 7.877 -5.216 1.00 0.00 O ATOM 818 CB VAL A 55 1.655 5.442 -5.540 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.315 5.553 -4.160 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.160 5.123 -5.376 1.00 0.00 C ATOM 0 H VAL A 55 3.853 6.576 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 55 1.344 6.727 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 55 2.122 4.640 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.193 4.613 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.377 5.767 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.844 6.358 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.046 4.178 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.322 5.919 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.306 5.046 -6.359 1.00 0.00 H new ATOM 830 N ASP A 56 2.034 8.783 -4.999 1.00 0.00 N ATOM 831 CA ASP A 56 1.573 9.889 -4.177 1.00 0.00 C ATOM 832 C ASP A 56 0.623 10.801 -4.957 1.00 0.00 C ATOM 833 O ASP A 56 0.697 12.026 -4.848 1.00 0.00 O ATOM 834 CB ASP A 56 2.801 10.651 -3.679 1.00 0.00 C ATOM 835 CG ASP A 56 2.433 11.873 -2.866 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.317 11.943 -2.397 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.312 12.700 -2.681 1.00 0.00 O ATOM 0 H ASP A 56 3.036 8.787 -5.188 1.00 0.00 H new ATOM 0 HA ASP A 56 1.006 9.511 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.416 9.986 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.407 10.955 -4.532 1.00 0.00 H new ATOM 842 N ALA A 57 -0.273 10.187 -5.738 1.00 0.00 N ATOM 843 CA ALA A 57 -1.247 10.936 -6.532 1.00 0.00 C ATOM 844 C ALA A 57 -1.792 12.109 -5.726 1.00 0.00 C ATOM 845 O ALA A 57 -2.129 13.155 -6.279 1.00 0.00 O ATOM 846 CB ALA A 57 -2.410 10.019 -6.923 1.00 0.00 C ATOM 0 H ALA A 57 -0.342 9.174 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.752 11.310 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.133 10.581 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.032 9.183 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.893 9.640 -6.022 1.00 0.00 H new ATOM 852 N ASP A 58 -1.886 11.908 -4.416 1.00 0.00 N ATOM 853 CA ASP A 58 -2.403 12.935 -3.518 1.00 0.00 C ATOM 854 C ASP A 58 -1.388 14.055 -3.298 1.00 0.00 C ATOM 855 O ASP A 58 -1.752 15.227 -3.213 1.00 0.00 O ATOM 856 CB ASP A 58 -2.765 12.303 -2.175 1.00 0.00 C ATOM 857 CG ASP A 58 -3.590 11.040 -2.402 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.406 11.048 -3.310 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.392 10.086 -1.673 1.00 0.00 O ATOM 0 H ASP A 58 -1.611 11.042 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.289 13.371 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.858 12.061 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.329 13.012 -1.569 1.00 0.00 H new ATOM 864 N GLY A 59 -0.112 13.687 -3.200 1.00 0.00 N ATOM 865 CA GLY A 59 0.950 14.673 -2.980 1.00 0.00 C ATOM 866 C GLY A 59 1.218 14.875 -1.487 1.00 0.00 C ATOM 867 O GLY A 59 1.834 15.863 -1.086 1.00 0.00 O ATOM 0 H GLY A 59 0.212 12.722 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.864 14.344 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.667 15.623 -3.433 1.00 0.00 H new ATOM 871 N ASN A 60 0.744 13.939 -0.664 1.00 0.00 N ATOM 872 CA ASN A 60 0.935 14.031 0.783 1.00 0.00 C ATOM 873 C ASN A 60 2.259 13.396 1.211 1.00 0.00 C ATOM 874 O ASN A 60 2.818 13.758 2.244 1.00 0.00 O ATOM 875 CB ASN A 60 -0.226 13.347 1.505 1.00 0.00 C ATOM 876 CG ASN A 60 -0.305 11.878 1.102 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.688 11.292 0.679 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.439 11.246 1.205 1.00 0.00 N ATOM 0 H ASN A 60 0.229 13.114 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 60 0.963 15.086 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.092 13.429 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.162 13.849 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.502 10.265 0.934 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.264 11.732 1.556 1.00 0.00 H new ATOM 885 N GLY A 61 2.761 12.449 0.417 1.00 0.00 N ATOM 886 CA GLY A 61 4.025 11.782 0.738 1.00 0.00 C ATOM 887 C GLY A 61 3.799 10.515 1.561 1.00 0.00 C ATOM 888 O GLY A 61 4.752 9.861 1.982 1.00 0.00 O ATOM 0 H GLY A 61 2.318 12.129 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.548 11.529 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.668 12.466 1.292 1.00 0.00 H new ATOM 892 N THR A 62 2.536 10.156 1.764 1.00 0.00 N ATOM 893 CA THR A 62 2.196 8.946 2.515 1.00 0.00 C ATOM 894 C THR A 62 0.988 8.285 1.883 1.00 0.00 C ATOM 895 O THR A 62 0.355 8.851 0.996 1.00 0.00 O ATOM 896 CB THR A 62 1.955 9.258 3.992 1.00 0.00 C ATOM 897 OG1 THR A 62 1.076 10.366 4.116 1.00 0.00 O ATOM 898 CG2 THR A 62 3.300 9.574 4.654 1.00 0.00 C ATOM 0 H THR A 62 1.731 10.681 1.422 1.00 0.00 H new ATOM 0 HA THR A 62 3.037 8.254 2.473 1.00 0.00 H new ATOM 0 HB THR A 62 1.498 8.399 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.925 10.559 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.142 9.799 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.962 8.713 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.754 10.435 4.163 1.00 0.00 H new ATOM 906 N ILE A 63 0.696 7.056 2.296 1.00 0.00 N ATOM 907 CA ILE A 63 -0.409 6.321 1.694 1.00 0.00 C ATOM 908 C ILE A 63 -1.678 6.409 2.526 1.00 0.00 C ATOM 909 O ILE A 63 -1.724 5.933 3.655 1.00 0.00 O ATOM 910 CB ILE A 63 -0.012 4.848 1.561 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.452 4.760 1.128 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.893 4.156 0.519 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.830 3.299 0.875 1.00 0.00 C ATOM 0 H ILE A 63 1.198 6.556 3.030 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.613 6.766 0.720 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.146 4.353 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.609 5.348 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.095 5.183 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.601 3.109 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.937 4.218 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.769 4.647 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.874 3.241 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.689 2.723 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.196 2.890 0.088 1.00 0.00 H new ATOM 925 N ASP A 64 -2.721 6.959 1.922 1.00 0.00 N ATOM 926 CA ASP A 64 -4.021 7.031 2.568 1.00 0.00 C ATOM 927 C ASP A 64 -4.753 5.753 2.166 1.00 0.00 C ATOM 928 O ASP A 64 -4.494 5.231 1.082 1.00 0.00 O ATOM 929 CB ASP A 64 -4.794 8.249 2.073 1.00 0.00 C ATOM 930 CG ASP A 64 -3.978 9.520 2.277 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.151 9.536 3.175 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.192 10.460 1.530 1.00 0.00 O ATOM 0 H ASP A 64 -2.691 7.362 0.985 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.925 7.123 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.034 8.130 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.741 8.328 2.608 1.00 0.00 H new ATOM 937 N PHE A 65 -5.626 5.210 3.003 1.00 0.00 N ATOM 938 CA PHE A 65 -6.282 3.969 2.604 1.00 0.00 C ATOM 939 C PHE A 65 -6.837 4.060 1.162 1.00 0.00 C ATOM 940 O PHE A 65 -6.538 3.204 0.323 1.00 0.00 O ATOM 941 CB PHE A 65 -7.363 3.545 3.599 1.00 0.00 C ATOM 942 CG PHE A 65 -8.121 2.391 3.003 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.460 1.185 2.766 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.472 2.528 2.679 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.144 0.113 2.211 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.166 1.449 2.119 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.499 0.238 1.888 1.00 0.00 C ATOM 0 H PHE A 65 -5.888 5.583 3.916 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.521 3.188 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.913 3.255 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.037 4.376 3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.414 1.086 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.980 3.464 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.630 -0.819 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.211 1.549 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.032 -0.599 1.461 1.00 0.00 H new ATOM 957 N PRO A 66 -7.611 5.061 0.822 1.00 0.00 N ATOM 958 CA PRO A 66 -8.139 5.181 -0.573 1.00 0.00 C ATOM 959 C PRO A 66 -7.025 5.020 -1.614 1.00 0.00 C ATOM 960 O PRO A 66 -7.139 4.232 -2.547 1.00 0.00 O ATOM 961 CB PRO A 66 -8.712 6.599 -0.612 1.00 0.00 C ATOM 962 CG PRO A 66 -9.120 6.875 0.791 1.00 0.00 C ATOM 963 CD PRO A 66 -8.089 6.168 1.672 1.00 0.00 C ATOM 0 HA PRO A 66 -8.872 4.410 -0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.969 7.318 -0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.561 6.665 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.135 7.947 0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.125 6.500 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.276 6.837 1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.535 5.801 2.596 1.00 0.00 H new ATOM 971 N GLU A 67 -5.945 5.757 -1.452 1.00 0.00 N ATOM 972 CA GLU A 67 -4.848 5.646 -2.393 1.00 0.00 C ATOM 973 C GLU A 67 -4.420 4.192 -2.468 1.00 0.00 C ATOM 974 O GLU A 67 -4.334 3.596 -3.544 1.00 0.00 O ATOM 975 CB GLU A 67 -3.663 6.479 -1.909 1.00 0.00 C ATOM 976 CG GLU A 67 -2.615 6.601 -3.019 1.00 0.00 C ATOM 977 CD GLU A 67 -1.514 7.563 -2.582 1.00 0.00 C ATOM 978 OE1 GLU A 67 -0.976 7.368 -1.507 1.00 0.00 O ATOM 979 OE2 GLU A 67 -1.239 8.490 -3.322 1.00 0.00 O ATOM 0 H GLU A 67 -5.803 6.426 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.169 6.005 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.004 7.470 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.219 6.015 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.190 5.622 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.082 6.960 -3.936 1.00 0.00 H new ATOM 986 N PHE A 68 -4.152 3.635 -1.295 1.00 0.00 N ATOM 987 CA PHE A 68 -3.728 2.257 -1.185 1.00 0.00 C ATOM 988 C PHE A 68 -4.642 1.358 -2.033 1.00 0.00 C ATOM 989 O PHE A 68 -4.217 0.309 -2.503 1.00 0.00 O ATOM 990 CB PHE A 68 -3.739 1.838 0.297 1.00 0.00 C ATOM 991 CG PHE A 68 -3.728 0.341 0.418 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.529 -0.355 0.274 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.921 -0.347 0.671 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.517 -1.749 0.382 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.909 -1.737 0.783 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.711 -2.439 0.641 1.00 0.00 C ATOM 0 H PHE A 68 -4.223 4.125 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.712 2.148 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.871 2.257 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.623 2.243 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.612 0.181 0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.848 0.197 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.591 -2.293 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.827 -2.271 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.703 -3.515 0.731 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.883 1.797 -2.274 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.804 1.017 -3.119 1.00 0.00 C ATOM 1008 C LEU A 69 -6.488 1.226 -4.605 1.00 0.00 C ATOM 1009 O LEU A 69 -6.483 0.278 -5.392 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.269 1.394 -2.846 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.696 0.918 -1.448 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.140 1.373 -1.173 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.614 -0.623 -1.364 1.00 0.00 C ATOM 0 H LEU A 69 -6.269 2.667 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.663 -0.034 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.393 2.474 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.913 0.945 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.027 1.349 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.445 1.037 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.194 2.461 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.805 0.945 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.918 -0.950 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.276 -1.064 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.590 -0.944 -1.553 1.00 0.00 H new ATOM 1025 N ASN A 70 -6.206 2.471 -4.967 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.863 2.824 -6.348 1.00 0.00 C ATOM 1027 C ASN A 70 -4.608 2.069 -6.739 1.00 0.00 C ATOM 1028 O ASN A 70 -4.475 1.538 -7.843 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.592 4.330 -6.400 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.156 4.776 -7.791 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.789 4.431 -8.789 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -4.106 5.541 -7.906 1.00 0.00 N ATOM 0 H ASN A 70 -6.207 3.261 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.673 2.567 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.492 4.872 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.818 4.586 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.804 5.858 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.587 5.823 -7.075 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.714 2.036 -5.779 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.435 1.363 -5.880 1.00 0.00 C ATOM 1041 C LEU A 71 -2.638 -0.116 -6.194 1.00 0.00 C ATOM 1042 O LEU A 71 -2.256 -0.596 -7.263 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.788 1.577 -4.505 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.718 0.546 -4.151 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.411 0.598 -5.169 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.165 0.910 -2.770 1.00 0.00 C ATOM 0 H LEU A 71 -3.859 2.490 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.807 1.749 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.343 2.571 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.566 1.554 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.145 -0.457 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.170 -0.140 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.017 0.379 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.857 1.593 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.604 0.192 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.267 1.910 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.972 0.887 -2.037 1.00 0.00 H new ATOM 1058 N MET A 72 -3.257 -0.819 -5.258 1.00 0.00 N ATOM 1059 CA MET A 72 -3.531 -2.245 -5.421 1.00 0.00 C ATOM 1060 C MET A 72 -4.484 -2.479 -6.596 1.00 0.00 C ATOM 1061 O MET A 72 -4.356 -3.460 -7.332 1.00 0.00 O ATOM 1062 CB MET A 72 -4.171 -2.784 -4.146 1.00 0.00 C ATOM 1063 CG MET A 72 -3.208 -2.640 -2.965 1.00 0.00 C ATOM 1064 SD MET A 72 -1.702 -3.605 -3.241 1.00 0.00 S ATOM 1065 CE MET A 72 -2.327 -5.174 -2.586 1.00 0.00 C ATOM 0 H MET A 72 -3.581 -0.427 -4.374 1.00 0.00 H new ATOM 0 HA MET A 72 -2.592 -2.761 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.095 -2.244 -3.938 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.438 -3.832 -4.280 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.952 -1.590 -2.825 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.696 -2.974 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.549 -5.934 -2.657 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.613 -5.044 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.196 -5.489 -3.164 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.438 -1.562 -6.772 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.401 -1.675 -7.866 1.00 0.00 C ATOM 1077 C ALA A 73 -5.684 -1.572 -9.206 1.00 0.00 C ATOM 1078 O ALA A 73 -5.878 -2.400 -10.097 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.446 -0.564 -7.770 1.00 0.00 C ATOM 0 H ALA A 73 -5.563 -0.742 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.896 -2.643 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.156 -0.661 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.976 -0.644 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.952 0.406 -7.830 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.841 -0.552 -9.335 1.00 0.00 N ATOM 1086 CA ARG A 74 -4.089 -0.353 -10.561 1.00 0.00 C ATOM 1087 C ARG A 74 -3.194 -1.563 -10.792 1.00 0.00 C ATOM 1088 O ARG A 74 -3.073 -2.066 -11.908 1.00 0.00 O ATOM 1089 CB ARG A 74 -3.234 0.908 -10.425 1.00 0.00 C ATOM 1090 CG ARG A 74 -2.483 1.209 -11.736 1.00 0.00 C ATOM 1091 CD ARG A 74 -3.358 2.049 -12.664 1.00 0.00 C ATOM 1092 NE ARG A 74 -2.659 2.291 -13.917 1.00 0.00 N ATOM 1093 CZ ARG A 74 -3.175 3.073 -14.856 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -4.335 3.641 -14.672 1.00 0.00 N ATOM 1095 NH2 ARG A 74 -2.517 3.272 -15.964 1.00 0.00 N ATOM 0 H ARG A 74 -4.665 0.143 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.768 -0.237 -11.405 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.868 1.755 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.518 0.781 -9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.556 1.740 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.208 0.276 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.299 1.534 -12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.605 2.997 -12.186 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.753 1.850 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.848 3.484 -13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.729 4.242 -15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.610 2.827 -16.105 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.909 3.872 -16.689 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.566 -2.016 -9.716 1.00 0.00 N ATOM 1110 CA LYS A 75 -1.675 -3.165 -9.779 1.00 0.00 C ATOM 1111 C LYS A 75 -2.464 -4.428 -10.122 1.00 0.00 C ATOM 1112 O LYS A 75 -1.997 -5.287 -10.872 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.976 -3.346 -8.429 1.00 0.00 C ATOM 1114 CG LYS A 75 0.109 -4.417 -8.551 1.00 0.00 C ATOM 1115 CD LYS A 75 0.862 -4.540 -7.223 1.00 0.00 C ATOM 1116 CE LYS A 75 1.949 -5.616 -7.344 1.00 0.00 C ATOM 1117 NZ LYS A 75 3.128 -5.061 -8.072 1.00 0.00 N ATOM 0 H LYS A 75 -2.658 -1.604 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.930 -2.993 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.535 -2.403 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.702 -3.634 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.339 -5.374 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.802 -4.157 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.312 -3.583 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.168 -4.798 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.249 -5.957 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.558 -6.484 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.876 -5.782 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.845 -4.788 -9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.486 -4.226 -7.567 1.00 0.00 H new ATOM 1131 N MET A 76 -3.661 -4.524 -9.556 1.00 0.00 N ATOM 1132 CA MET A 76 -4.538 -5.671 -9.776 1.00 0.00 C ATOM 1133 C MET A 76 -4.903 -5.818 -11.254 1.00 0.00 C ATOM 1134 O MET A 76 -5.607 -6.748 -11.643 1.00 0.00 O ATOM 1135 CB MET A 76 -5.808 -5.487 -8.937 1.00 0.00 C ATOM 1136 CG MET A 76 -6.777 -6.644 -9.179 1.00 0.00 C ATOM 1137 SD MET A 76 -7.963 -6.725 -7.810 1.00 0.00 S ATOM 1138 CE MET A 76 -7.333 -8.229 -7.028 1.00 0.00 C ATOM 0 H MET A 76 -4.051 -3.815 -8.935 1.00 0.00 H new ATOM 0 HA MET A 76 -4.015 -6.579 -9.475 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.549 -5.436 -7.879 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.288 -4.542 -9.194 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.303 -6.502 -10.123 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.229 -7.583 -9.257 1.00 0.00 H new ATOM 0 HE1 MET A 76 -7.839 -8.383 -6.075 1.00 0.00 H new ATOM 0 HE2 MET A 76 -7.519 -9.083 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.261 -8.129 -6.858 1.00 0.00 H new ATOM 1148 N LYS A 77 -4.404 -4.899 -12.070 1.00 0.00 N ATOM 1149 CA LYS A 77 -4.677 -4.929 -13.504 1.00 0.00 C ATOM 1150 C LYS A 77 -4.291 -6.274 -14.112 1.00 0.00 C ATOM 1151 O LYS A 77 -4.694 -6.595 -15.230 1.00 0.00 O ATOM 1152 CB LYS A 77 -3.895 -3.812 -14.195 1.00 0.00 C ATOM 1153 CG LYS A 77 -2.394 -3.997 -13.953 1.00 0.00 C ATOM 1154 CD LYS A 77 -1.649 -2.829 -14.598 1.00 0.00 C ATOM 1155 CE LYS A 77 -0.141 -2.979 -14.397 1.00 0.00 C ATOM 1156 NZ LYS A 77 0.547 -1.803 -15.003 1.00 0.00 N ATOM 0 H LYS A 77 -3.811 -4.126 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.747 -4.782 -13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.103 -3.819 -15.265 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.216 -2.842 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.185 -4.035 -12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.056 -4.942 -14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.878 -2.788 -15.663 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.988 -1.889 -14.163 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.093 -3.046 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.211 -3.901 -14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.574 -1.896 -14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.331 -1.760 -16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.216 -0.932 -14.542 1.00 0.00 H new ATOM 1170 N ASP A 78 -3.508 -7.051 -13.376 1.00 0.00 N ATOM 1171 CA ASP A 78 -3.069 -8.353 -13.858 1.00 0.00 C ATOM 1172 C ASP A 78 -4.200 -9.375 -13.796 1.00 0.00 C ATOM 1173 O ASP A 78 -4.592 -9.824 -12.720 1.00 0.00 O ATOM 1174 CB ASP A 78 -1.898 -8.838 -13.002 1.00 0.00 C ATOM 1175 CG ASP A 78 -2.315 -8.875 -11.532 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -3.382 -8.370 -11.226 1.00 0.00 O ATOM 1177 OD2 ASP A 78 -1.559 -9.406 -10.734 1.00 0.00 O ATOM 0 H ASP A 78 -3.165 -6.804 -12.448 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.759 -8.249 -14.898 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.585 -9.830 -13.326 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.042 -8.176 -13.131 1.00 0.00 H new ATOM 1182 N THR A 79 -4.717 -9.740 -14.966 1.00 0.00 N ATOM 1183 CA THR A 79 -5.804 -10.709 -15.049 1.00 0.00 C ATOM 1184 C THR A 79 -5.301 -12.110 -14.716 1.00 0.00 C ATOM 1185 O THR A 79 -5.705 -13.040 -15.393 1.00 0.00 O ATOM 1186 CB THR A 79 -6.396 -10.700 -16.460 1.00 0.00 C ATOM 1187 OG1 THR A 79 -5.360 -10.930 -17.406 1.00 0.00 O ATOM 1188 CG2 THR A 79 -7.048 -9.345 -16.734 1.00 0.00 C ATOM 1189 OXT THR A 79 -4.515 -12.234 -13.787 1.00 0.00 O ATOM 0 H THR A 79 -4.401 -9.380 -15.867 1.00 0.00 H new ATOM 0 HA THR A 79 -6.572 -10.432 -14.327 1.00 0.00 H new ATOM 0 HB THR A 79 -7.148 -11.485 -16.544 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.737 -10.927 -18.311 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.469 -9.340 -17.739 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.841 -9.169 -16.008 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.299 -8.557 -16.651 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.371 5.944 10.675 1.00 0.00 CA HETATM 1199 CA CA A 192 -0.233 9.934 -1.173 1.00 0.00 CA