USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 47 HIS : no HD1:sc= -2.31! C(o=-2.4!,f=-6.6!) USER MOD Set 1.2: A 201 HEC O2D : rot -83:sc= -0.073 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= -0.0184 F(o=-1.4!,f=-0.018) USER MOD Single : A 33 THR OG1 : rot 78:sc= 0.796 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0836 F(o=-0.43,f=0.084) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000599 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0191 F(o=-0.69,f=-0.019) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -118:sc= -0.0977 (180deg=-0.612) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0579) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 61:sc= 0.103 USER MOD Single : A 201 HEC O2A : rot 180:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.975 -7.430 -6.491 1.00 1.00 N ATOM 2 CA ALA A 25 -11.546 -8.656 -5.960 1.00 1.00 C ATOM 3 C ALA A 25 -10.437 -9.495 -5.322 1.00 1.00 C ATOM 4 O ALA A 25 -9.448 -9.824 -5.975 1.00 1.00 O ATOM 5 CB ALA A 25 -12.274 -9.406 -7.078 1.00 1.00 C ATOM 0 HA ALA A 25 -12.279 -8.434 -5.185 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.702 -10.326 -6.680 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.070 -8.778 -7.479 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.569 -9.649 -7.873 1.00 1.00 H new ATOM 11 N GLY A 26 -10.639 -9.816 -4.052 1.00 1.00 N ATOM 12 CA GLY A 26 -9.669 -10.611 -3.318 1.00 1.00 C ATOM 13 C GLY A 26 -8.625 -9.717 -2.646 1.00 1.00 C ATOM 14 O GLY A 26 -8.523 -9.688 -1.420 1.00 1.00 O ATOM 0 H GLY A 26 -11.460 -9.540 -3.513 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.180 -11.210 -2.564 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.175 -11.306 -3.997 1.00 1.00 H new ATOM 18 N GLY A 27 -7.876 -9.008 -3.477 1.00 1.00 N ATOM 19 CA GLY A 27 -6.843 -8.115 -2.979 1.00 1.00 C ATOM 20 C GLY A 27 -7.440 -7.042 -2.066 1.00 1.00 C ATOM 21 O GLY A 27 -6.768 -6.546 -1.163 1.00 1.00 O ATOM 0 H GLY A 27 -7.964 -9.034 -4.493 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.095 -8.688 -2.432 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.332 -7.641 -3.817 1.00 1.00 H new ATOM 25 N GLY A 28 -8.696 -6.715 -2.334 1.00 1.00 N ATOM 26 CA GLY A 28 -9.392 -5.710 -1.548 1.00 1.00 C ATOM 27 C GLY A 28 -9.714 -6.235 -0.147 1.00 1.00 C ATOM 28 O GLY A 28 -9.648 -5.490 0.829 1.00 1.00 O ATOM 0 H GLY A 28 -9.250 -7.128 -3.084 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.777 -4.813 -1.472 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.314 -5.422 -2.053 1.00 1.00 H new ATOM 32 N GLU A 29 -10.055 -7.514 -0.094 1.00 1.00 N ATOM 33 CA GLU A 29 -10.388 -8.147 1.171 1.00 1.00 C ATOM 34 C GLU A 29 -9.181 -8.123 2.110 1.00 1.00 C ATOM 35 O GLU A 29 -9.339 -8.134 3.330 1.00 1.00 O ATOM 36 CB GLU A 29 -10.885 -9.578 0.954 1.00 1.00 C ATOM 37 CG GLU A 29 -11.422 -10.175 2.256 1.00 1.00 C ATOM 38 CD GLU A 29 -12.664 -9.420 2.734 1.00 1.00 C ATOM 39 OE1 GLU A 29 -12.564 -8.564 3.626 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.763 -9.747 2.143 1.00 1.00 O ATOM 0 H GLU A 29 -10.108 -8.129 -0.906 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.197 -7.583 1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.669 -9.584 0.197 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.071 -10.196 0.575 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.667 -11.226 2.104 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.650 -10.135 3.024 1.00 1.00 H new ATOM 48 N LEU A 30 -8.002 -8.091 1.507 1.00 1.00 N ATOM 49 CA LEU A 30 -6.768 -8.065 2.274 1.00 1.00 C ATOM 50 C LEU A 30 -6.453 -6.623 2.677 1.00 1.00 C ATOM 51 O LEU A 30 -6.100 -6.358 3.825 1.00 1.00 O ATOM 52 CB LEU A 30 -5.640 -8.747 1.498 1.00 1.00 C ATOM 53 CG LEU A 30 -5.960 -10.129 0.925 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.749 -10.714 0.196 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.481 -11.067 2.016 1.00 1.00 C ATOM 0 H LEU A 30 -7.875 -8.082 0.495 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.880 -8.636 3.195 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.345 -8.094 0.676 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.777 -8.840 2.157 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.756 -10.018 0.189 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.003 -11.696 -0.202 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.464 -10.054 -0.623 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.916 -10.809 0.893 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.701 -12.043 1.582 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.724 -11.177 2.793 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.389 -10.650 2.451 1.00 1.00 H new ATOM 67 N PHE A 31 -6.593 -5.728 1.710 1.00 1.00 N ATOM 68 CA PHE A 31 -6.328 -4.319 1.949 1.00 1.00 C ATOM 69 C PHE A 31 -7.423 -3.695 2.816 1.00 1.00 C ATOM 70 O PHE A 31 -7.233 -2.621 3.385 1.00 1.00 O ATOM 71 CB PHE A 31 -6.318 -3.628 0.584 1.00 1.00 C ATOM 72 CG PHE A 31 -6.346 -2.100 0.660 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.248 -1.381 0.304 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.469 -1.461 1.085 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.274 0.037 0.375 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.496 -0.043 1.156 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.398 0.676 0.799 1.00 1.00 C ATOM 0 H PHE A 31 -6.887 -5.951 0.759 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.378 -4.202 2.471 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.427 -3.938 0.038 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.179 -3.969 0.009 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.356 -1.889 -0.033 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.341 -2.032 1.369 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.402 0.608 0.093 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.388 0.464 1.493 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.418 1.755 0.852 1.00 1.00 H new ATOM 87 N ALA A 32 -8.547 -4.394 2.889 1.00 1.00 N ATOM 88 CA ALA A 32 -9.672 -3.921 3.676 1.00 1.00 C ATOM 89 C ALA A 32 -9.641 -4.588 5.053 1.00 1.00 C ATOM 90 O ALA A 32 -10.675 -5.018 5.562 1.00 1.00 O ATOM 91 CB ALA A 32 -10.975 -4.200 2.924 1.00 1.00 C ATOM 0 H ALA A 32 -8.702 -5.284 2.416 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.607 -2.844 3.829 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.819 -3.845 3.515 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.960 -3.682 1.965 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.075 -5.272 2.756 1.00 1.00 H new ATOM 97 N THR A 33 -8.444 -4.652 5.617 1.00 1.00 N ATOM 98 CA THR A 33 -8.265 -5.258 6.926 1.00 1.00 C ATOM 99 C THR A 33 -6.836 -5.035 7.426 1.00 1.00 C ATOM 100 O THR A 33 -6.621 -4.794 8.613 1.00 1.00 O ATOM 101 CB THR A 33 -8.646 -6.736 6.818 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.047 -6.753 7.076 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.050 -7.579 7.947 1.00 1.00 C ATOM 0 H THR A 33 -7.589 -4.294 5.192 1.00 1.00 H new ATOM 0 HA THR A 33 -8.913 -4.793 7.669 1.00 1.00 H new ATOM 0 HB THR A 33 -8.311 -7.127 5.857 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.531 -6.465 6.274 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.351 -8.619 7.822 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.963 -7.510 7.917 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.411 -7.209 8.907 1.00 1.00 H new ATOM 111 N HIS A 34 -5.897 -5.121 6.495 1.00 1.00 N ATOM 112 CA HIS A 34 -4.495 -4.931 6.827 1.00 1.00 C ATOM 113 C HIS A 34 -4.052 -3.531 6.399 1.00 1.00 C ATOM 114 O HIS A 34 -2.918 -3.129 6.656 1.00 1.00 O ATOM 115 CB HIS A 34 -3.637 -6.038 6.213 1.00 1.00 C ATOM 116 CG HIS A 34 -4.115 -7.435 6.532 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.854 -8.314 5.795 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.840 -8.066 7.732 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -5.020 -9.422 6.506 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.392 -9.270 7.708 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.079 -5.320 5.511 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.360 -5.003 7.906 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.617 -5.910 5.131 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.612 -5.927 6.566 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.217 -8.148 4.857 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.272 -7.648 8.550 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.563 -10.299 6.186 1.00 1.00 H new ATOM 128 N CYS A 35 -4.969 -2.826 5.752 1.00 1.00 N ATOM 129 CA CYS A 35 -4.687 -1.480 5.285 1.00 1.00 C ATOM 130 C CYS A 35 -5.870 -0.584 5.659 1.00 1.00 C ATOM 131 O CYS A 35 -5.683 0.507 6.194 1.00 1.00 O ATOM 132 CB CYS A 35 -4.400 -1.450 3.783 1.00 1.00 C ATOM 133 SG CYS A 35 -3.370 -2.832 3.171 1.00 1.00 S ATOM 0 H CYS A 35 -5.908 -3.163 5.540 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.783 -1.107 5.767 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.348 -1.457 3.246 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.903 -0.510 3.541 1.00 1.00 H new ATOM 138 N ALA A 36 -7.063 -1.079 5.361 1.00 1.00 N ATOM 139 CA ALA A 36 -8.276 -0.337 5.658 1.00 1.00 C ATOM 140 C ALA A 36 -8.125 0.356 7.014 1.00 1.00 C ATOM 141 O ALA A 36 -8.651 1.450 7.217 1.00 1.00 O ATOM 142 CB ALA A 36 -9.477 -1.285 5.619 1.00 1.00 C ATOM 0 H ALA A 36 -7.215 -1.985 4.917 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.446 0.436 4.909 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.387 -0.728 5.842 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.557 -1.730 4.627 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.343 -2.073 6.360 1.00 1.00 H new ATOM 148 N GLY A 37 -7.405 -0.307 7.905 1.00 1.00 N ATOM 149 CA GLY A 37 -7.178 0.232 9.235 1.00 1.00 C ATOM 150 C GLY A 37 -6.034 1.248 9.228 1.00 1.00 C ATOM 151 O GLY A 37 -5.146 1.195 10.077 1.00 1.00 O ATOM 0 H GLY A 37 -6.970 -1.214 7.732 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.089 0.707 9.599 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.944 -0.579 9.925 1.00 1.00 H new ATOM 155 N CYS A 38 -6.092 2.149 8.258 1.00 1.00 N ATOM 156 CA CYS A 38 -5.072 3.176 8.129 1.00 1.00 C ATOM 157 C CYS A 38 -5.252 3.863 6.773 1.00 1.00 C ATOM 158 O CYS A 38 -4.968 5.051 6.634 1.00 1.00 O ATOM 159 CB CYS A 38 -3.665 2.599 8.295 1.00 1.00 C ATOM 160 SG CYS A 38 -2.961 3.118 9.902 1.00 1.00 S ATOM 0 H CYS A 38 -6.829 2.189 7.554 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.188 3.911 8.926 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.700 1.511 8.239 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.025 2.940 7.481 1.00 1.00 H new ATOM 165 N HIS A 39 -5.721 3.085 5.809 1.00 1.00 N ATOM 166 CA HIS A 39 -5.941 3.603 4.470 1.00 1.00 C ATOM 167 C HIS A 39 -7.429 3.515 4.124 1.00 1.00 C ATOM 168 O HIS A 39 -7.840 2.852 3.174 1.00 1.00 O ATOM 169 CB HIS A 39 -5.053 2.882 3.455 1.00 1.00 C ATOM 170 CG HIS A 39 -3.594 3.267 3.532 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.146 4.556 3.299 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.490 2.521 3.820 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.829 4.572 3.442 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.424 3.310 3.764 1.00 1.00 N ATOM 0 H HIS A 39 -5.955 2.099 5.929 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.656 4.654 4.432 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.143 1.807 3.608 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.421 3.093 2.451 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.730 5.357 3.058 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.484 1.467 4.054 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.188 5.433 3.324 1.00 1.00 H new ATOM 182 N PRO A 40 -8.237 4.210 4.927 1.00 1.00 N ATOM 183 CA PRO A 40 -9.676 4.270 4.784 1.00 1.00 C ATOM 184 C PRO A 40 -10.034 5.148 3.593 1.00 1.00 C ATOM 185 O PRO A 40 -9.569 6.285 3.533 1.00 1.00 O ATOM 186 CB PRO A 40 -10.175 4.886 6.089 1.00 1.00 C ATOM 187 CG PRO A 40 -8.976 5.892 6.408 1.00 1.00 C ATOM 188 CD PRO A 40 -7.788 5.001 6.052 1.00 1.00 C ATOM 0 HA PRO A 40 -10.126 3.293 4.606 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.128 5.401 5.967 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.313 4.142 6.874 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.017 6.796 5.801 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.963 6.209 7.451 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.913 5.596 5.792 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.504 4.367 6.892 1.00 1.00 H new ATOM 196 N GLN A 41 -10.837 4.617 2.683 1.00 1.00 N ATOM 197 CA GLN A 41 -11.239 5.370 1.508 1.00 1.00 C ATOM 198 C GLN A 41 -10.020 6.027 0.856 1.00 1.00 C ATOM 199 O GLN A 41 -10.022 7.230 0.599 1.00 1.00 O ATOM 200 CB GLN A 41 -12.300 6.414 1.862 1.00 1.00 C ATOM 201 CG GLN A 41 -13.399 6.461 0.798 1.00 1.00 C ATOM 202 CD GLN A 41 -14.784 6.320 1.435 1.00 1.00 C ATOM 203 OE1 GLN A 41 -15.362 5.248 1.495 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.281 7.461 1.905 1.00 1.00 N ATOM 0 H GLN A 41 -11.220 3.673 2.736 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.682 4.678 0.791 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.738 6.178 2.832 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.834 7.395 1.952 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.340 7.402 0.251 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.244 5.661 0.074 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -14.744 8.324 1.822 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.200 7.473 2.348 1.00 1.00 H new ATOM 213 N GLY A 42 -9.008 5.208 0.609 1.00 1.00 N ATOM 214 CA GLY A 42 -7.785 5.694 -0.007 1.00 1.00 C ATOM 215 C GLY A 42 -7.236 6.907 0.746 1.00 1.00 C ATOM 216 O GLY A 42 -6.443 7.673 0.202 1.00 1.00 O ATOM 0 H GLY A 42 -9.010 4.211 0.824 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.039 4.900 -0.018 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.979 5.963 -1.045 1.00 1.00 H new ATOM 220 N GLY A 43 -7.681 7.044 1.987 1.00 1.00 N ATOM 221 CA GLY A 43 -7.244 8.151 2.821 1.00 1.00 C ATOM 222 C GLY A 43 -6.182 7.695 3.825 1.00 1.00 C ATOM 223 O GLY A 43 -5.531 6.671 3.623 1.00 1.00 O ATOM 0 H GLY A 43 -8.340 6.407 2.435 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.840 8.946 2.194 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.098 8.569 3.354 1.00 1.00 H new ATOM 227 N ASN A 44 -6.041 8.478 4.884 1.00 1.00 N ATOM 228 CA ASN A 44 -5.069 8.168 5.919 1.00 1.00 C ATOM 229 C ASN A 44 -5.498 8.831 7.230 1.00 1.00 C ATOM 230 O ASN A 44 -6.139 9.881 7.218 1.00 1.00 O ATOM 231 CB ASN A 44 -3.683 8.701 5.551 1.00 1.00 C ATOM 232 CG ASN A 44 -2.700 7.553 5.313 1.00 1.00 C ATOM 233 OD1 ASN A 44 -2.892 6.434 5.760 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.639 7.891 4.587 1.00 1.00 N ATOM 0 H ASN A 44 -6.583 9.326 5.048 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.022 7.084 6.024 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.752 9.317 4.654 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.312 9.342 6.350 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.924 7.195 4.374 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.539 8.846 4.243 1.00 1.00 H new ATOM 241 N THR A 45 -5.128 8.190 8.329 1.00 1.00 N ATOM 242 CA THR A 45 -5.466 8.705 9.645 1.00 1.00 C ATOM 243 C THR A 45 -4.199 9.096 10.406 1.00 1.00 C ATOM 244 O THR A 45 -4.269 9.526 11.557 1.00 1.00 O ATOM 245 CB THR A 45 -6.305 7.647 10.364 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.489 6.479 10.338 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.551 7.249 9.571 1.00 1.00 C ATOM 0 H THR A 45 -4.598 7.319 8.335 1.00 1.00 H new ATOM 0 HA THR A 45 -6.058 9.617 9.573 1.00 1.00 H new ATOM 0 HB THR A 45 -6.603 8.024 11.342 1.00 1.00 H new ATOM 0 HG1 THR A 45 -5.957 5.743 10.786 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.110 6.496 10.126 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.179 8.126 9.416 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.253 6.841 8.605 1.00 1.00 H new ATOM 255 N VAL A 46 -3.069 8.933 9.734 1.00 1.00 N ATOM 256 CA VAL A 46 -1.787 9.264 10.333 1.00 1.00 C ATOM 257 C VAL A 46 -1.218 10.511 9.654 1.00 1.00 C ATOM 258 O VAL A 46 -0.953 11.516 10.313 1.00 1.00 O ATOM 259 CB VAL A 46 -0.847 8.059 10.256 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.514 8.385 10.876 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.473 6.832 10.921 1.00 1.00 C ATOM 0 H VAL A 46 -3.014 8.576 8.780 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.908 9.497 11.391 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.688 7.825 9.203 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.163 7.512 10.808 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.968 9.218 10.339 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.381 8.658 11.923 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.784 5.990 10.852 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.676 7.050 11.969 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.405 6.580 10.416 1.00 1.00 H new ATOM 271 N HIS A 47 -1.046 10.406 8.344 1.00 1.00 N ATOM 272 CA HIS A 47 -0.513 11.513 7.568 1.00 1.00 C ATOM 273 C HIS A 47 -1.561 11.982 6.557 1.00 1.00 C ATOM 274 O HIS A 47 -1.981 11.250 5.664 1.00 1.00 O ATOM 275 CB HIS A 47 0.813 11.126 6.910 1.00 1.00 C ATOM 276 CG HIS A 47 1.956 10.960 7.884 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.234 10.610 7.486 1.00 1.00 N ATOM 278 CD2 HIS A 47 1.999 11.101 9.240 1.00 1.00 C ATOM 279 CE1 HIS A 47 4.004 10.545 8.562 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.236 10.849 9.648 1.00 1.00 N ATOM 0 H HIS A 47 -1.266 9.571 7.801 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.294 12.352 8.228 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.677 10.193 6.363 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.080 11.889 6.178 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.167 11.372 9.874 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.055 10.295 8.577 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.560 10.878 10.615 1.00 1.00 H new ATOM 288 N PRO A 48 -1.980 13.239 6.721 1.00 1.00 N ATOM 289 CA PRO A 48 -2.964 13.888 5.881 1.00 1.00 C ATOM 290 C PRO A 48 -2.271 14.527 4.686 1.00 1.00 C ATOM 291 O PRO A 48 -2.909 15.302 3.974 1.00 1.00 O ATOM 292 CB PRO A 48 -3.604 14.948 6.775 1.00 1.00 C ATOM 293 CG PRO A 48 -2.343 15.397 7.604 1.00 1.00 C ATOM 294 CD PRO A 48 -1.508 14.128 7.761 1.00 1.00 C ATOM 0 HA PRO A 48 -3.708 13.197 5.486 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.042 15.767 6.204 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.395 14.541 7.405 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -1.785 16.176 7.085 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.631 15.804 8.573 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.445 14.339 7.648 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.642 13.687 8.749 1.00 1.00 H new ATOM 302 N GLU A 49 -1.002 14.201 4.490 1.00 1.00 N ATOM 303 CA GLU A 49 -0.250 14.757 3.378 1.00 1.00 C ATOM 304 C GLU A 49 0.321 13.634 2.510 1.00 1.00 C ATOM 305 O GLU A 49 0.950 13.896 1.485 1.00 1.00 O ATOM 306 CB GLU A 49 0.861 15.683 3.877 1.00 1.00 C ATOM 307 CG GLU A 49 0.340 16.630 4.960 1.00 1.00 C ATOM 308 CD GLU A 49 0.107 18.033 4.396 1.00 1.00 C ATOM 309 OE1 GLU A 49 0.835 18.466 3.490 1.00 1.00 O ATOM 310 OE2 GLU A 49 -0.873 18.680 4.930 1.00 1.00 O ATOM 0 H GLU A 49 -0.476 13.559 5.082 1.00 1.00 H new ATOM 0 HA GLU A 49 -0.928 15.353 2.767 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.684 15.089 4.274 1.00 1.00 H new ATOM 0 HB3 GLU A 49 1.259 16.262 3.043 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.591 16.240 5.371 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.056 16.678 5.781 1.00 1.00 H new ATOM 318 N LYS A 50 0.083 12.408 2.951 1.00 1.00 N ATOM 319 CA LYS A 50 0.565 11.245 2.227 1.00 1.00 C ATOM 320 C LYS A 50 -0.608 10.306 1.939 1.00 1.00 C ATOM 321 O LYS A 50 -0.876 9.387 2.711 1.00 1.00 O ATOM 322 CB LYS A 50 1.714 10.578 2.987 1.00 1.00 C ATOM 323 CG LYS A 50 2.734 11.617 3.458 1.00 1.00 C ATOM 324 CD LYS A 50 4.034 11.510 2.658 1.00 1.00 C ATOM 325 CE LYS A 50 3.863 12.091 1.253 1.00 1.00 C ATOM 326 NZ LYS A 50 4.053 11.038 0.230 1.00 1.00 N ATOM 0 H LYS A 50 -0.438 12.195 3.802 1.00 1.00 H new ATOM 0 HA LYS A 50 0.980 11.542 1.264 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.320 10.034 3.846 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.204 9.847 2.344 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.316 12.618 3.348 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.942 11.473 4.518 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.831 12.040 3.180 1.00 1.00 H new ATOM 0 HD3 LYS A 50 4.338 10.465 2.589 1.00 1.00 H new ATOM 0 HE2 LYS A 50 2.870 12.529 1.153 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.583 12.894 1.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 3.934 11.449 -0.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.009 10.639 0.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 3.350 10.285 0.372 1.00 1.00 H new ATOM 339 N THR A 51 -1.275 10.569 0.825 1.00 1.00 N ATOM 340 CA THR A 51 -2.414 9.759 0.425 1.00 1.00 C ATOM 341 C THR A 51 -2.009 8.778 -0.678 1.00 1.00 C ATOM 342 O THR A 51 -0.829 8.653 -1.000 1.00 1.00 O ATOM 343 CB THR A 51 -3.545 10.703 0.014 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.034 11.379 -1.131 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.776 11.819 1.034 1.00 1.00 C ATOM 0 H THR A 51 -1.049 11.332 0.186 1.00 1.00 H new ATOM 0 HA THR A 51 -2.771 9.143 1.250 1.00 1.00 H new ATOM 0 HB THR A 51 -4.465 10.133 -0.114 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.705 12.011 -1.464 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.589 12.460 0.694 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.037 11.382 1.998 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.867 12.411 1.138 1.00 1.00 H new ATOM 353 N LEU A 52 -3.012 8.108 -1.226 1.00 1.00 N ATOM 354 CA LEU A 52 -2.776 7.142 -2.286 1.00 1.00 C ATOM 355 C LEU A 52 -2.980 7.820 -3.642 1.00 1.00 C ATOM 356 O LEU A 52 -3.191 7.148 -4.650 1.00 1.00 O ATOM 357 CB LEU A 52 -3.645 5.900 -2.082 1.00 1.00 C ATOM 358 CG LEU A 52 -3.379 5.097 -0.807 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.283 3.864 -0.737 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.899 4.730 -0.689 1.00 1.00 C ATOM 0 H LEU A 52 -3.990 8.215 -0.956 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.745 6.789 -2.258 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.690 6.208 -2.082 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.508 5.240 -2.939 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.624 5.725 0.050 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.074 3.311 0.179 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.327 4.178 -0.741 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.093 3.224 -1.599 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.737 4.160 0.226 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.604 4.128 -1.549 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.300 5.640 -0.660 1.00 1.00 H new ATOM 372 N ALA A 53 -2.910 9.143 -3.623 1.00 1.00 N ATOM 373 CA ALA A 53 -3.085 9.919 -4.839 1.00 1.00 C ATOM 374 C ALA A 53 -1.799 9.860 -5.666 1.00 1.00 C ATOM 375 O ALA A 53 -0.708 10.075 -5.140 1.00 1.00 O ATOM 376 CB ALA A 53 -3.480 11.353 -4.477 1.00 1.00 C ATOM 0 H ALA A 53 -2.735 9.697 -2.785 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.888 9.503 -5.448 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.611 11.935 -5.389 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.414 11.342 -3.916 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.696 11.804 -3.868 1.00 1.00 H new ATOM 382 N ARG A 54 -1.970 9.568 -6.946 1.00 1.00 N ATOM 383 CA ARG A 54 -0.836 9.478 -7.851 1.00 1.00 C ATOM 384 C ARG A 54 0.020 10.742 -7.756 1.00 1.00 C ATOM 385 O ARG A 54 1.235 10.661 -7.583 1.00 1.00 O ATOM 386 CB ARG A 54 -1.299 9.291 -9.297 1.00 1.00 C ATOM 387 CG ARG A 54 -0.112 9.020 -10.223 1.00 1.00 C ATOM 388 CD ARG A 54 -0.265 9.771 -11.547 1.00 1.00 C ATOM 389 NE ARG A 54 1.064 10.171 -12.059 1.00 1.00 N ATOM 390 CZ ARG A 54 1.277 10.694 -13.286 1.00 1.00 C ATOM 391 NH1 ARG A 54 2.507 11.016 -13.640 1.00 1.00 N ATOM 392 NH2 ARG A 54 0.246 10.886 -14.137 1.00 1.00 N ATOM 0 H ARG A 54 -2.876 9.391 -7.379 1.00 1.00 H new ATOM 0 HA ARG A 54 -0.244 8.611 -7.556 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -2.004 8.462 -9.352 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.829 10.183 -9.631 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.813 9.325 -9.733 1.00 1.00 H new ATOM 0 HG3 ARG A 54 -0.033 7.950 -10.415 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.770 9.138 -12.277 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -0.889 10.653 -11.404 1.00 1.00 H new ATOM 0 HE ARG A 54 1.870 10.044 -11.447 1.00 1.00 H new ATOM 0 HH11 ARG A 54 3.280 10.869 -12.991 1.00 1.00 H new ATOM 0 HH12 ARG A 54 2.685 11.412 -14.563 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.702 10.636 -13.855 1.00 1.00 H new ATOM 0 HH22 ARG A 54 0.415 11.281 -15.062 1.00 1.00 H new ATOM 402 N ALA A 55 -0.647 11.880 -7.875 1.00 1.00 N ATOM 403 CA ALA A 55 0.038 13.160 -7.805 1.00 1.00 C ATOM 404 C ALA A 55 1.113 13.099 -6.718 1.00 1.00 C ATOM 405 O ALA A 55 2.198 13.655 -6.881 1.00 1.00 O ATOM 406 CB ALA A 55 -0.982 14.272 -7.555 1.00 1.00 C ATOM 0 H ALA A 55 -1.655 11.943 -8.019 1.00 1.00 H new ATOM 0 HA ALA A 55 0.536 13.381 -8.749 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.468 15.232 -7.502 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.706 14.292 -8.370 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.500 14.086 -6.614 1.00 1.00 H new ATOM 412 N ARG A 56 0.773 12.420 -5.632 1.00 1.00 N ATOM 413 CA ARG A 56 1.696 12.279 -4.518 1.00 1.00 C ATOM 414 C ARG A 56 2.554 11.025 -4.694 1.00 1.00 C ATOM 415 O ARG A 56 3.776 11.083 -4.571 1.00 1.00 O ATOM 416 CB ARG A 56 0.944 12.192 -3.188 1.00 1.00 C ATOM 417 CG ARG A 56 0.920 13.548 -2.481 1.00 1.00 C ATOM 418 CD ARG A 56 -0.101 14.486 -3.129 1.00 1.00 C ATOM 419 NE ARG A 56 -0.544 15.505 -2.151 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.328 15.241 -1.085 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.663 16.228 -0.276 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.765 13.985 -0.850 1.00 1.00 N ATOM 0 H ARG A 56 -0.129 11.962 -5.500 1.00 1.00 H new ATOM 0 HA ARG A 56 2.336 13.161 -4.504 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.076 11.852 -3.365 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.420 11.451 -2.545 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.675 13.409 -1.428 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.911 14.000 -2.520 1.00 1.00 H new ATOM 0 HD2 ARG A 56 0.340 14.972 -3.999 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -0.958 13.914 -3.484 1.00 1.00 H new ATOM 0 HE ARG A 56 -0.237 16.468 -2.292 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -1.330 17.174 -0.461 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.255 16.045 0.534 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -1.503 13.227 -1.481 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -2.357 13.794 -0.042 1.00 1.00 H new ATOM 432 N ARG A 57 1.880 9.921 -4.980 1.00 1.00 N ATOM 433 CA ARG A 57 2.566 8.655 -5.175 1.00 1.00 C ATOM 434 C ARG A 57 3.627 8.788 -6.268 1.00 1.00 C ATOM 435 O ARG A 57 4.519 7.948 -6.379 1.00 1.00 O ATOM 436 CB ARG A 57 1.581 7.549 -5.561 1.00 1.00 C ATOM 437 CG ARG A 57 1.350 6.588 -4.394 1.00 1.00 C ATOM 438 CD ARG A 57 1.301 5.137 -4.879 1.00 1.00 C ATOM 439 NE ARG A 57 0.074 4.911 -5.675 1.00 1.00 N ATOM 440 CZ ARG A 57 -1.104 4.511 -5.151 1.00 1.00 C ATOM 441 NH1 ARG A 57 -2.136 4.339 -5.956 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.225 4.291 -3.825 1.00 1.00 N ATOM 0 H ARG A 57 0.866 9.877 -5.081 1.00 1.00 H new ATOM 0 HA ARG A 57 3.044 8.388 -4.232 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.633 7.992 -5.865 1.00 1.00 H new ATOM 0 HB3 ARG A 57 1.965 6.998 -6.419 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.148 6.703 -3.660 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.416 6.839 -3.891 1.00 1.00 H new ATOM 0 HD2 ARG A 57 2.182 4.917 -5.482 1.00 1.00 H new ATOM 0 HD3 ARG A 57 1.321 4.459 -4.026 1.00 1.00 H new ATOM 0 HE ARG A 57 0.121 5.067 -6.682 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.036 4.508 -6.957 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -3.034 4.037 -5.577 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.423 4.427 -3.210 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.119 3.989 -3.438 1.00 1.00 H new ATOM 452 N GLU A 58 3.496 9.851 -7.049 1.00 1.00 N ATOM 453 CA GLU A 58 4.433 10.106 -8.130 1.00 1.00 C ATOM 454 C GLU A 58 5.707 10.754 -7.586 1.00 1.00 C ATOM 455 O GLU A 58 6.814 10.323 -7.907 1.00 1.00 O ATOM 456 CB GLU A 58 3.795 10.975 -9.215 1.00 1.00 C ATOM 457 CG GLU A 58 4.185 12.444 -9.040 1.00 1.00 C ATOM 458 CD GLU A 58 3.612 13.302 -10.170 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.507 13.024 -10.660 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.357 14.290 -10.536 1.00 1.00 O ATOM 0 H GLU A 58 2.755 10.545 -6.954 1.00 1.00 H new ATOM 0 HA GLU A 58 4.700 9.153 -8.586 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.111 10.626 -10.198 1.00 1.00 H new ATOM 0 HB3 GLU A 58 2.710 10.876 -9.175 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.819 12.809 -8.080 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.271 12.536 -9.023 1.00 1.00 H new ATOM 468 N ALA A 59 5.510 11.781 -6.772 1.00 1.00 N ATOM 469 CA ALA A 59 6.629 12.493 -6.180 1.00 1.00 C ATOM 470 C ALA A 59 7.616 11.484 -5.590 1.00 1.00 C ATOM 471 O ALA A 59 8.822 11.587 -5.811 1.00 1.00 O ATOM 472 CB ALA A 59 6.111 13.481 -5.133 1.00 1.00 C ATOM 0 H ALA A 59 4.591 12.137 -6.509 1.00 1.00 H new ATOM 0 HA ALA A 59 7.160 13.070 -6.938 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.951 14.015 -4.689 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.438 14.195 -5.608 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.574 12.938 -4.355 1.00 1.00 H new ATOM 478 N ASN A 60 7.068 10.530 -4.852 1.00 1.00 N ATOM 479 CA ASN A 60 7.885 9.503 -4.229 1.00 1.00 C ATOM 480 C ASN A 60 8.291 8.471 -5.283 1.00 1.00 C ATOM 481 O ASN A 60 9.347 7.850 -5.174 1.00 1.00 O ATOM 482 CB ASN A 60 7.110 8.775 -3.128 1.00 1.00 C ATOM 483 CG ASN A 60 7.102 9.589 -1.833 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.718 10.853 -1.991 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 7.422 9.102 -0.761 1.00 1.00 N flip ATOM 0 H ASN A 60 6.068 10.447 -4.671 1.00 1.00 H new ATOM 0 HA ASN A 60 8.760 9.986 -3.795 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.086 8.597 -3.456 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.560 7.799 -2.946 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.707 8.124 -0.710 1.00 1.00 H new ATOM 0 HD22 ASN A 60 7.404 9.673 0.084 1.00 1.00 H new ATOM 492 N GLY A 61 7.432 8.321 -6.280 1.00 1.00 N ATOM 493 CA GLY A 61 7.688 7.375 -7.353 1.00 1.00 C ATOM 494 C GLY A 61 7.197 5.975 -6.978 1.00 1.00 C ATOM 495 O GLY A 61 8.001 5.078 -6.728 1.00 1.00 O ATOM 0 H GLY A 61 6.558 8.839 -6.368 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.189 7.708 -8.263 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.756 7.344 -7.568 1.00 1.00 H new ATOM 499 N ILE A 62 5.880 5.832 -6.951 1.00 1.00 N ATOM 500 CA ILE A 62 5.274 4.556 -6.611 1.00 1.00 C ATOM 501 C ILE A 62 4.185 4.225 -7.635 1.00 1.00 C ATOM 502 O ILE A 62 3.020 4.062 -7.275 1.00 1.00 O ATOM 503 CB ILE A 62 4.775 4.568 -5.165 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.928 4.816 -4.190 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.013 3.282 -4.837 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.555 4.369 -2.775 1.00 1.00 C ATOM 0 H ILE A 62 5.216 6.578 -7.159 1.00 1.00 H new ATOM 0 HA ILE A 62 6.014 3.757 -6.662 1.00 1.00 H new ATOM 0 HB ILE A 62 4.074 5.395 -5.052 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.814 4.276 -4.524 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.183 5.876 -4.185 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.669 3.316 -3.803 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.154 3.188 -5.502 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.672 2.424 -4.972 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.392 4.556 -2.102 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.683 4.928 -2.435 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.324 3.304 -2.779 1.00 1.00 H new ATOM 518 N ARG A 63 4.603 4.137 -8.889 1.00 1.00 N ATOM 519 CA ARG A 63 3.678 3.829 -9.966 1.00 1.00 C ATOM 520 C ARG A 63 3.934 2.417 -10.497 1.00 1.00 C ATOM 521 O ARG A 63 4.216 2.237 -11.681 1.00 1.00 O ATOM 522 CB ARG A 63 3.816 4.831 -11.114 1.00 1.00 C ATOM 523 CG ARG A 63 4.211 6.213 -10.590 1.00 1.00 C ATOM 524 CD ARG A 63 5.689 6.501 -10.862 1.00 1.00 C ATOM 525 NE ARG A 63 5.822 7.407 -12.025 1.00 1.00 N ATOM 526 CZ ARG A 63 6.990 7.949 -12.432 1.00 1.00 C ATOM 527 NH1 ARG A 63 6.993 8.746 -13.484 1.00 1.00 N ATOM 528 NH2 ARG A 63 8.137 7.680 -11.773 1.00 1.00 N ATOM 0 H ARG A 63 5.570 4.274 -9.183 1.00 1.00 H new ATOM 0 HA ARG A 63 2.667 3.892 -9.564 1.00 1.00 H new ATOM 0 HB2 ARG A 63 4.566 4.478 -11.821 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.873 4.900 -11.657 1.00 1.00 H new ATOM 0 HG2 ARG A 63 3.595 6.976 -11.066 1.00 1.00 H new ATOM 0 HG3 ARG A 63 4.017 6.269 -9.519 1.00 1.00 H new ATOM 0 HD2 ARG A 63 6.148 6.954 -9.983 1.00 1.00 H new ATOM 0 HD3 ARG A 63 6.220 5.569 -11.054 1.00 1.00 H new ATOM 0 HE ARG A 63 4.979 7.636 -12.552 1.00 1.00 H new ATOM 0 HH11 ARG A 63 6.122 8.944 -13.976 1.00 1.00 H new ATOM 0 HH12 ARG A 63 7.866 9.164 -13.805 1.00 1.00 H new ATOM 0 HH21 ARG A 63 8.126 7.063 -10.961 1.00 1.00 H new ATOM 0 HH22 ARG A 63 9.015 8.094 -12.087 1.00 1.00 H new ATOM 538 N THR A 64 3.826 1.451 -9.596 1.00 1.00 N ATOM 539 CA THR A 64 4.042 0.061 -9.960 1.00 1.00 C ATOM 540 C THR A 64 3.403 -0.866 -8.924 1.00 1.00 C ATOM 541 O THR A 64 3.053 -0.431 -7.828 1.00 1.00 O ATOM 542 CB THR A 64 5.547 -0.157 -10.123 1.00 1.00 C ATOM 543 OG1 THR A 64 6.127 0.632 -9.088 1.00 1.00 O ATOM 544 CG2 THR A 64 6.091 0.462 -11.413 1.00 1.00 C ATOM 0 H THR A 64 3.592 1.604 -8.615 1.00 1.00 H new ATOM 0 HA THR A 64 3.560 -0.179 -10.908 1.00 1.00 H new ATOM 0 HB THR A 64 5.762 -1.226 -10.114 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.103 0.547 -9.120 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.163 0.279 -11.480 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.592 0.012 -12.271 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.906 1.536 -11.407 1.00 1.00 H new ATOM 552 N VAL A 65 3.270 -2.128 -9.308 1.00 1.00 N ATOM 553 CA VAL A 65 2.679 -3.120 -8.426 1.00 1.00 C ATOM 554 C VAL A 65 3.735 -3.603 -7.430 1.00 1.00 C ATOM 555 O VAL A 65 3.507 -3.583 -6.221 1.00 1.00 O ATOM 556 CB VAL A 65 2.071 -4.256 -9.251 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.826 -5.493 -8.383 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.781 -3.805 -9.939 1.00 1.00 C ATOM 0 H VAL A 65 3.561 -2.486 -10.218 1.00 1.00 H new ATOM 0 HA VAL A 65 1.864 -2.683 -7.849 1.00 1.00 H new ATOM 0 HB VAL A 65 2.787 -4.527 -10.027 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.393 -6.286 -8.993 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.771 -5.834 -7.961 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.139 -5.241 -7.576 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.370 -4.631 -10.519 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.057 -3.494 -9.186 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.996 -2.968 -10.603 1.00 1.00 H new ATOM 568 N ARG A 66 4.867 -4.025 -7.973 1.00 1.00 N ATOM 569 CA ARG A 66 5.958 -4.513 -7.147 1.00 1.00 C ATOM 570 C ARG A 66 6.154 -3.600 -5.934 1.00 1.00 C ATOM 571 O ARG A 66 5.916 -4.011 -4.799 1.00 1.00 O ATOM 572 CB ARG A 66 7.263 -4.580 -7.942 1.00 1.00 C ATOM 573 CG ARG A 66 7.268 -5.783 -8.887 1.00 1.00 C ATOM 574 CD ARG A 66 8.696 -6.258 -9.163 1.00 1.00 C ATOM 575 NE ARG A 66 8.675 -7.628 -9.721 1.00 1.00 N ATOM 576 CZ ARG A 66 8.687 -8.751 -8.972 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.665 -9.924 -9.576 1.00 1.00 N ATOM 578 NH2 ARG A 66 8.720 -8.675 -7.624 1.00 1.00 N ATOM 0 H ARG A 66 5.052 -4.039 -8.976 1.00 1.00 H new ATOM 0 HA ARG A 66 5.698 -5.517 -6.813 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.391 -3.662 -8.516 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.108 -4.648 -7.256 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.689 -6.596 -8.449 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.782 -5.515 -9.825 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.185 -5.579 -9.862 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.278 -6.241 -8.242 1.00 1.00 H new ATOM 0 HE ARG A 66 8.650 -7.730 -10.736 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.639 -9.973 -10.595 1.00 1.00 H new ATOM 0 HH12 ARG A 66 8.674 -10.782 -9.024 1.00 1.00 H new ATOM 0 HH21 ARG A 66 8.736 -7.764 -7.165 1.00 1.00 H new ATOM 0 HH22 ARG A 66 8.729 -9.528 -7.065 1.00 1.00 H new ATOM 588 N ASP A 67 6.585 -2.379 -6.216 1.00 1.00 N ATOM 589 CA ASP A 67 6.815 -1.406 -5.162 1.00 1.00 C ATOM 590 C ASP A 67 5.772 -1.597 -4.060 1.00 1.00 C ATOM 591 O ASP A 67 6.107 -1.597 -2.876 1.00 1.00 O ATOM 592 CB ASP A 67 6.684 0.023 -5.694 1.00 1.00 C ATOM 593 CG ASP A 67 7.921 0.559 -6.417 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.904 -0.167 -6.626 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.849 1.796 -6.777 1.00 1.00 O ATOM 0 H ASP A 67 6.781 -2.042 -7.159 1.00 1.00 H new ATOM 0 HA ASP A 67 7.824 -1.558 -4.778 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.836 0.064 -6.377 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.453 0.686 -4.860 1.00 1.00 H new ATOM 601 N VAL A 68 4.528 -1.755 -4.488 1.00 1.00 N ATOM 602 CA VAL A 68 3.433 -1.947 -3.552 1.00 1.00 C ATOM 603 C VAL A 68 3.362 -3.422 -3.152 1.00 1.00 C ATOM 604 O VAL A 68 2.303 -4.042 -3.237 1.00 1.00 O ATOM 605 CB VAL A 68 2.128 -1.429 -4.159 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.986 -1.495 -3.143 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.301 -0.008 -4.699 1.00 1.00 C ATOM 0 H VAL A 68 4.254 -1.754 -5.471 1.00 1.00 H new ATOM 0 HA VAL A 68 3.603 -1.371 -2.642 1.00 1.00 H new ATOM 0 HB VAL A 68 1.868 -2.076 -4.997 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.070 -1.121 -3.600 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.839 -2.528 -2.828 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.235 -0.883 -2.276 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.359 0.337 -5.125 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.597 0.656 -3.887 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.071 -0.003 -5.470 1.00 1.00 H new ATOM 617 N ALA A 69 4.503 -3.942 -2.724 1.00 1.00 N ATOM 618 CA ALA A 69 4.584 -5.333 -2.310 1.00 1.00 C ATOM 619 C ALA A 69 5.891 -5.559 -1.548 1.00 1.00 C ATOM 620 O ALA A 69 5.909 -6.245 -0.528 1.00 1.00 O ATOM 621 CB ALA A 69 4.460 -6.238 -3.538 1.00 1.00 C ATOM 0 H ALA A 69 5.380 -3.425 -2.655 1.00 1.00 H new ATOM 0 HA ALA A 69 3.764 -5.582 -1.637 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.521 -7.281 -3.229 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.502 -6.059 -4.026 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.269 -6.019 -4.235 1.00 1.00 H new ATOM 627 N ALA A 70 6.955 -4.969 -2.074 1.00 1.00 N ATOM 628 CA ALA A 70 8.264 -5.097 -1.456 1.00 1.00 C ATOM 629 C ALA A 70 8.345 -4.164 -0.246 1.00 1.00 C ATOM 630 O ALA A 70 8.462 -4.591 0.901 1.00 1.00 O ATOM 631 CB ALA A 70 9.349 -4.803 -2.493 1.00 1.00 C ATOM 0 H ALA A 70 6.937 -4.401 -2.921 1.00 1.00 H new ATOM 0 HA ALA A 70 8.422 -6.115 -1.099 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.331 -4.899 -2.029 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.266 -5.511 -3.317 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.224 -3.789 -2.872 1.00 1.00 H new ATOM 637 N TYR A 71 8.281 -2.862 -0.532 1.00 1.00 N ATOM 638 CA TYR A 71 8.346 -1.849 0.502 1.00 1.00 C ATOM 639 C TYR A 71 7.486 -2.265 1.687 1.00 1.00 C ATOM 640 O TYR A 71 7.999 -2.324 2.803 1.00 1.00 O ATOM 641 CB TYR A 71 7.876 -0.513 -0.066 1.00 1.00 C ATOM 642 CG TYR A 71 9.002 0.456 -0.338 1.00 1.00 C ATOM 643 CD1 TYR A 71 10.035 0.100 -1.213 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.011 1.710 0.284 1.00 1.00 C ATOM 645 CE1 TYR A 71 11.078 0.998 -1.466 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.055 2.608 0.031 1.00 1.00 C ATOM 647 CZ TYR A 71 11.088 2.253 -0.844 1.00 1.00 C ATOM 648 OH TYR A 71 12.105 3.128 -1.091 1.00 1.00 O ATOM 0 H TYR A 71 8.184 -2.492 -1.477 1.00 1.00 H new ATOM 0 HA TYR A 71 9.374 -1.740 0.846 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.330 -0.693 -0.992 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.175 -0.056 0.633 1.00 1.00 H new ATOM 0 HD1 TYR A 71 10.027 -0.868 -1.693 1.00 1.00 H new ATOM 0 HD2 TYR A 71 8.213 1.985 0.958 1.00 1.00 H new ATOM 0 HE1 TYR A 71 11.875 0.723 -2.141 1.00 1.00 H new ATOM 0 HE2 TYR A 71 10.063 3.575 0.511 1.00 1.00 H new ATOM 0 HH TYR A 71 11.959 3.952 -0.581 1.00 1.00 H new ATOM 658 N ILE A 72 6.216 -2.542 1.429 1.00 1.00 N ATOM 659 CA ILE A 72 5.309 -2.948 2.489 1.00 1.00 C ATOM 660 C ILE A 72 6.039 -3.895 3.444 1.00 1.00 C ATOM 661 O ILE A 72 5.814 -3.858 4.653 1.00 1.00 O ATOM 662 CB ILE A 72 4.026 -3.538 1.900 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.338 -4.726 0.987 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.207 -2.463 1.182 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.221 -5.770 1.046 1.00 1.00 C ATOM 0 H ILE A 72 5.794 -2.493 0.502 1.00 1.00 H new ATOM 0 HA ILE A 72 4.996 -2.083 3.074 1.00 1.00 H new ATOM 0 HB ILE A 72 3.415 -3.914 2.720 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.462 -4.378 -0.039 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.282 -5.181 1.286 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.301 -2.909 0.773 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.938 -1.678 1.889 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.798 -2.035 0.372 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.467 -6.604 0.388 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.116 -6.133 2.068 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.283 -5.318 0.723 1.00 1.00 H new ATOM 677 N ARG A 73 6.898 -4.721 2.865 1.00 1.00 N ATOM 678 CA ARG A 73 7.662 -5.676 3.650 1.00 1.00 C ATOM 679 C ARG A 73 8.505 -4.947 4.698 1.00 1.00 C ATOM 680 O ARG A 73 8.335 -5.165 5.897 1.00 1.00 O ATOM 681 CB ARG A 73 8.581 -6.512 2.757 1.00 1.00 C ATOM 682 CG ARG A 73 8.947 -7.835 3.432 1.00 1.00 C ATOM 683 CD ARG A 73 8.821 -9.003 2.452 1.00 1.00 C ATOM 684 NE ARG A 73 10.044 -9.836 2.498 1.00 1.00 N ATOM 685 CZ ARG A 73 10.457 -10.629 1.487 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.566 -11.330 1.635 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.747 -10.705 0.341 1.00 1.00 N ATOM 0 H ARG A 73 7.082 -4.749 1.862 1.00 1.00 H new ATOM 0 HA ARG A 73 6.954 -6.340 4.146 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.088 -6.710 1.805 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.488 -5.950 2.535 1.00 1.00 H new ATOM 0 HG2 ARG A 73 9.967 -7.783 3.813 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.295 -8.003 4.289 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.950 -9.607 2.704 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.666 -8.625 1.441 1.00 1.00 H new ATOM 0 HE ARG A 73 10.610 -9.809 3.346 1.00 1.00 H new ATOM 0 HH11 ARG A 73 12.097 -11.267 2.504 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.892 -11.934 0.881 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.891 -10.160 0.234 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.067 -11.307 -0.418 1.00 1.00 H new ATOM 697 N ASN A 74 9.396 -4.098 4.209 1.00 1.00 N ATOM 698 CA ASN A 74 10.266 -3.336 5.089 1.00 1.00 C ATOM 699 C ASN A 74 10.196 -1.855 4.711 1.00 1.00 C ATOM 700 O ASN A 74 11.115 -1.286 4.127 1.00 1.00 O ATOM 701 CB ASN A 74 11.721 -3.790 4.953 1.00 1.00 C ATOM 702 CG ASN A 74 12.506 -3.504 6.235 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.633 -2.210 6.514 1.00 1.00 O flip ATOM 704 ND2 ASN A 74 12.966 -4.399 6.924 1.00 1.00 N flip ATOM 0 H ASN A 74 9.535 -3.921 3.214 1.00 1.00 H new ATOM 0 HA ASN A 74 9.932 -3.496 6.114 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.754 -4.857 4.732 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.189 -3.276 4.113 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.832 -5.373 6.652 1.00 1.00 H new ATOM 0 HD22 ASN A 74 13.485 -4.174 7.773 1.00 1.00 H new ATOM 711 N PRO A 75 9.067 -1.236 5.063 1.00 1.00 N ATOM 712 CA PRO A 75 8.789 0.161 4.807 1.00 1.00 C ATOM 713 C PRO A 75 9.452 1.018 5.875 1.00 1.00 C ATOM 714 O PRO A 75 10.024 0.462 6.812 1.00 1.00 O ATOM 715 CB PRO A 75 7.267 0.277 4.879 1.00 1.00 C ATOM 716 CG PRO A 75 6.869 -0.812 5.809 1.00 1.00 C ATOM 717 CD PRO A 75 7.965 -1.874 5.751 1.00 1.00 C ATOM 0 HA PRO A 75 9.172 0.500 3.844 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.958 1.254 5.252 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.810 0.151 3.898 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.756 -0.430 6.824 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.907 -1.235 5.518 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.257 -2.195 6.751 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.627 -2.762 5.217 1.00 1.00 H new ATOM 725 N GLY A 76 9.368 2.331 5.720 1.00 1.00 N ATOM 726 CA GLY A 76 9.969 3.239 6.683 1.00 1.00 C ATOM 727 C GLY A 76 9.023 3.497 7.857 1.00 1.00 C ATOM 728 O GLY A 76 7.982 2.862 8.009 1.00 1.00 O ATOM 0 H GLY A 76 8.893 2.788 4.942 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.904 2.818 7.051 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.214 4.182 6.195 1.00 1.00 H new ATOM 732 N PRO A 77 9.415 4.459 8.696 1.00 1.00 N ATOM 733 CA PRO A 77 8.675 4.869 9.870 1.00 1.00 C ATOM 734 C PRO A 77 7.310 5.398 9.454 1.00 1.00 C ATOM 735 O PRO A 77 7.171 5.857 8.321 1.00 1.00 O ATOM 736 CB PRO A 77 9.521 5.973 10.501 1.00 1.00 C ATOM 737 CG PRO A 77 10.432 6.459 9.425 1.00 1.00 C ATOM 738 CD PRO A 77 10.634 5.225 8.549 1.00 1.00 C ATOM 0 HA PRO A 77 8.500 4.051 10.568 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.892 6.781 10.874 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.088 5.592 11.350 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.989 7.282 8.864 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.376 6.822 9.831 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.803 5.503 7.509 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.503 4.650 8.871 1.00 1.00 H new ATOM 746 N GLY A 78 6.344 5.325 10.358 1.00 1.00 N ATOM 747 CA GLY A 78 5.004 5.801 10.060 1.00 1.00 C ATOM 748 C GLY A 78 4.100 4.650 9.614 1.00 1.00 C ATOM 749 O GLY A 78 2.906 4.643 9.910 1.00 1.00 O ATOM 0 H GLY A 78 6.463 4.944 11.297 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.580 6.280 10.942 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.049 6.558 9.277 1.00 1.00 H new ATOM 753 N MET A 79 4.704 3.705 8.908 1.00 1.00 N ATOM 754 CA MET A 79 3.968 2.551 8.418 1.00 1.00 C ATOM 755 C MET A 79 4.562 1.251 8.962 1.00 1.00 C ATOM 756 O MET A 79 5.764 1.004 8.896 1.00 1.00 O ATOM 757 CB MET A 79 4.010 2.531 6.889 1.00 1.00 C ATOM 758 CG MET A 79 2.787 1.812 6.316 1.00 1.00 C ATOM 759 SD MET A 79 2.566 2.255 4.601 1.00 1.00 S ATOM 760 CE MET A 79 3.100 0.742 3.819 1.00 1.00 C ATOM 0 H MET A 79 5.694 3.715 8.664 1.00 1.00 H new ATOM 0 HA MET A 79 2.936 2.629 8.761 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.047 3.552 6.509 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.920 2.033 6.553 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.913 0.733 6.408 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.897 2.079 6.887 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.026 0.846 2.737 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.135 0.536 4.093 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.466 -0.081 4.149 1.00 1.00 H new ATOM 770 N PRO A 80 3.678 0.413 9.510 1.00 1.00 N ATOM 771 CA PRO A 80 4.019 -0.872 10.083 1.00 1.00 C ATOM 772 C PRO A 80 4.791 -1.697 9.064 1.00 1.00 C ATOM 773 O PRO A 80 5.548 -1.121 8.284 1.00 1.00 O ATOM 774 CB PRO A 80 2.677 -1.522 10.411 1.00 1.00 C ATOM 775 CG PRO A 80 1.719 -0.422 10.525 1.00 1.00 C ATOM 776 CD PRO A 80 2.258 0.671 9.604 1.00 1.00 C ATOM 0 HA PRO A 80 4.650 -0.788 10.968 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.379 -2.220 9.629 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.734 -2.089 11.340 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.720 -0.736 10.222 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.644 -0.069 11.554 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.784 0.631 8.624 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.063 1.663 10.012 1.00 1.00 H new ATOM 784 N ALA A 81 4.593 -3.007 9.088 1.00 1.00 N ATOM 785 CA ALA A 81 5.282 -3.885 8.158 1.00 1.00 C ATOM 786 C ALA A 81 4.460 -5.160 7.962 1.00 1.00 C ATOM 787 O ALA A 81 3.578 -5.464 8.764 1.00 1.00 O ATOM 788 CB ALA A 81 6.691 -4.175 8.679 1.00 1.00 C ATOM 0 H ALA A 81 3.965 -3.481 9.737 1.00 1.00 H new ATOM 0 HA ALA A 81 5.386 -3.407 7.184 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.208 -4.834 7.982 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.244 -3.240 8.773 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.626 -4.658 9.654 1.00 1.00 H new ATOM 794 N PHE A 82 4.777 -5.873 6.891 1.00 1.00 N ATOM 795 CA PHE A 82 4.078 -7.108 6.580 1.00 1.00 C ATOM 796 C PHE A 82 5.036 -8.147 5.994 1.00 1.00 C ATOM 797 O PHE A 82 5.459 -8.028 4.845 1.00 1.00 O ATOM 798 CB PHE A 82 3.013 -6.768 5.536 1.00 1.00 C ATOM 799 CG PHE A 82 2.018 -5.696 5.988 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.871 -6.058 6.623 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.282 -4.383 5.755 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.052 -5.063 7.042 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.359 -3.388 6.174 1.00 1.00 C ATOM 804 CZ PHE A 82 0.212 -3.750 6.809 1.00 1.00 C ATOM 0 H PHE A 82 5.509 -5.619 6.228 1.00 1.00 H new ATOM 0 HA PHE A 82 3.640 -7.527 7.486 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.507 -6.430 4.625 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.464 -7.675 5.283 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.662 -7.101 6.809 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.193 -4.096 5.251 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.963 -5.350 7.546 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.568 -2.345 5.988 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.490 -2.994 7.128 1.00 1.00 H new ATOM 814 N GLY A 83 5.350 -9.142 6.810 1.00 1.00 N ATOM 815 CA GLY A 83 6.251 -10.201 6.386 1.00 1.00 C ATOM 816 C GLY A 83 5.469 -11.427 5.910 1.00 1.00 C ATOM 817 O GLY A 83 4.251 -11.367 5.748 1.00 1.00 O ATOM 0 H GLY A 83 4.997 -9.238 7.762 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.891 -9.839 5.582 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.905 -10.480 7.212 1.00 1.00 H new ATOM 821 N GLU A 84 6.201 -12.511 5.700 1.00 1.00 N ATOM 822 CA GLU A 84 5.592 -13.750 5.245 1.00 1.00 C ATOM 823 C GLU A 84 4.915 -14.468 6.414 1.00 1.00 C ATOM 824 O GLU A 84 4.392 -15.570 6.252 1.00 1.00 O ATOM 825 CB GLU A 84 6.625 -14.654 4.570 1.00 1.00 C ATOM 826 CG GLU A 84 7.667 -15.144 5.578 1.00 1.00 C ATOM 827 CD GLU A 84 8.803 -15.889 4.874 1.00 1.00 C ATOM 828 OE1 GLU A 84 9.905 -15.341 4.723 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.509 -17.081 4.477 1.00 1.00 O ATOM 0 H GLU A 84 7.211 -12.557 5.837 1.00 1.00 H new ATOM 0 HA GLU A 84 4.831 -13.507 4.503 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.124 -15.508 4.115 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.120 -14.110 3.766 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.071 -14.296 6.130 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.192 -15.802 6.306 1.00 1.00 H new ATOM 837 N ALA A 85 4.948 -13.816 7.567 1.00 1.00 N ATOM 838 CA ALA A 85 4.344 -14.379 8.763 1.00 1.00 C ATOM 839 C ALA A 85 2.831 -14.488 8.562 1.00 1.00 C ATOM 840 O ALA A 85 2.219 -15.479 8.958 1.00 1.00 O ATOM 841 CB ALA A 85 4.710 -13.518 9.974 1.00 1.00 C ATOM 0 H ALA A 85 5.384 -12.903 7.698 1.00 1.00 H new ATOM 0 HA ALA A 85 4.726 -15.383 8.949 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.257 -13.940 10.871 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.794 -13.496 10.091 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.341 -12.504 9.824 1.00 1.00 H new ATOM 847 N MET A 86 2.272 -13.457 7.947 1.00 1.00 N ATOM 848 CA MET A 86 0.842 -13.424 7.689 1.00 1.00 C ATOM 849 C MET A 86 0.557 -13.390 6.186 1.00 1.00 C ATOM 850 O MET A 86 -0.198 -14.216 5.675 1.00 1.00 O ATOM 851 CB MET A 86 0.231 -12.189 8.353 1.00 1.00 C ATOM 852 CG MET A 86 -1.281 -12.350 8.525 1.00 1.00 C ATOM 853 SD MET A 86 -1.895 -11.145 9.689 1.00 1.00 S ATOM 854 CE MET A 86 -1.293 -11.852 11.214 1.00 1.00 C ATOM 0 H MET A 86 2.783 -12.637 7.619 1.00 1.00 H new ATOM 0 HA MET A 86 0.396 -14.328 8.104 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.696 -12.027 9.325 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.440 -11.306 7.749 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.780 -12.226 7.564 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.510 -13.356 8.876 1.00 1.00 H new ATOM 0 HE1 MET A 86 -2.137 -12.105 11.856 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.720 -12.753 10.996 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.654 -11.130 11.723 1.00 1.00 H new ATOM 864 N ILE A 87 1.176 -12.426 5.521 1.00 1.00 N ATOM 865 CA ILE A 87 0.998 -12.274 4.087 1.00 1.00 C ATOM 866 C ILE A 87 2.336 -12.512 3.383 1.00 1.00 C ATOM 867 O ILE A 87 3.316 -11.800 3.587 1.00 1.00 O ATOM 868 CB ILE A 87 0.368 -10.917 3.766 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.901 -10.693 4.592 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.107 -10.774 2.265 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.820 -9.672 3.919 1.00 1.00 C ATOM 0 H ILE A 87 1.801 -11.743 5.948 1.00 1.00 H new ATOM 0 HA ILE A 87 0.300 -13.021 3.709 1.00 1.00 H new ATOM 0 HB ILE A 87 1.077 -10.137 4.045 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.430 -11.638 4.716 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.633 -10.345 5.589 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.341 -9.801 2.065 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.048 -10.859 1.722 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.573 -11.561 1.937 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.714 -9.531 4.526 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.296 -8.721 3.819 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.106 -10.035 2.932 1.00 1.00 H new ATOM 883 N PRO A 88 2.353 -13.546 2.538 1.00 1.00 N ATOM 884 CA PRO A 88 3.509 -13.950 1.767 1.00 1.00 C ATOM 885 C PRO A 88 3.748 -12.950 0.644 1.00 1.00 C ATOM 886 O PRO A 88 2.803 -12.486 0.012 1.00 1.00 O ATOM 887 CB PRO A 88 3.145 -15.324 1.208 1.00 1.00 C ATOM 888 CG PRO A 88 1.668 -15.312 1.133 1.00 1.00 C ATOM 889 CD PRO A 88 1.218 -14.404 2.275 1.00 1.00 C ATOM 0 HA PRO A 88 4.423 -13.988 2.360 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.591 -15.484 0.227 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.503 -16.124 1.856 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.325 -14.933 0.170 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.260 -16.317 1.244 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.340 -13.822 1.995 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.948 -14.984 3.158 1.00 1.00 H new ATOM 897 N PRO A 89 5.018 -12.619 0.400 1.00 1.00 N ATOM 898 CA PRO A 89 5.435 -11.687 -0.626 1.00 1.00 C ATOM 899 C PRO A 89 4.615 -11.917 -1.888 1.00 1.00 C ATOM 900 O PRO A 89 4.141 -10.945 -2.474 1.00 1.00 O ATOM 901 CB PRO A 89 6.909 -12.002 -0.866 1.00 1.00 C ATOM 902 CG PRO A 89 7.376 -12.563 0.419 1.00 1.00 C ATOM 903 CD PRO A 89 6.154 -13.146 1.124 1.00 1.00 C ATOM 0 HA PRO A 89 5.290 -10.646 -0.338 1.00 1.00 H new ATOM 0 HB2 PRO A 89 7.036 -12.715 -1.681 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.468 -11.106 -1.136 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.129 -13.334 0.252 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.841 -11.790 1.031 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.167 -14.236 1.100 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.125 -12.851 2.173 1.00 1.00 H new ATOM 911 N ALA A 90 4.467 -13.174 -2.279 1.00 1.00 N ATOM 912 CA ALA A 90 3.704 -13.502 -3.471 1.00 1.00 C ATOM 913 C ALA A 90 2.283 -12.955 -3.329 1.00 1.00 C ATOM 914 O ALA A 90 1.730 -12.399 -4.278 1.00 1.00 O ATOM 915 CB ALA A 90 3.727 -15.016 -3.691 1.00 1.00 C ATOM 0 H ALA A 90 4.863 -13.978 -1.791 1.00 1.00 H new ATOM 0 HA ALA A 90 4.149 -13.038 -4.351 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.155 -15.262 -4.585 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.757 -15.350 -3.816 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.286 -15.516 -2.829 1.00 1.00 H new ATOM 921 N ASP A 91 1.732 -13.130 -2.137 1.00 1.00 N ATOM 922 CA ASP A 91 0.385 -12.660 -1.859 1.00 1.00 C ATOM 923 C ASP A 91 0.380 -11.130 -1.827 1.00 1.00 C ATOM 924 O ASP A 91 -0.682 -10.510 -1.807 1.00 1.00 O ATOM 925 CB ASP A 91 -0.103 -13.162 -0.499 1.00 1.00 C ATOM 926 CG ASP A 91 -0.545 -14.627 -0.471 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.112 -15.503 -1.053 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.627 -14.858 0.192 1.00 1.00 O ATOM 0 H ASP A 91 2.194 -13.591 -1.353 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.273 -13.039 -2.641 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.696 -13.025 0.230 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.938 -12.540 -0.177 1.00 1.00 H new ATOM 934 N ALA A 92 1.579 -10.566 -1.825 1.00 1.00 N ATOM 935 CA ALA A 92 1.725 -9.121 -1.796 1.00 1.00 C ATOM 936 C ALA A 92 1.581 -8.570 -3.217 1.00 1.00 C ATOM 937 O ALA A 92 1.014 -7.496 -3.415 1.00 1.00 O ATOM 938 CB ALA A 92 3.070 -8.756 -1.164 1.00 1.00 C ATOM 0 H ALA A 92 2.458 -11.084 -1.843 1.00 1.00 H new ATOM 0 HA ALA A 92 0.944 -8.669 -1.185 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.180 -7.672 -1.142 1.00 1.00 H new ATOM 0 HB2 ALA A 92 3.112 -9.145 -0.147 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.878 -9.191 -1.752 1.00 1.00 H new ATOM 944 N LEU A 93 2.103 -9.330 -4.168 1.00 1.00 N ATOM 945 CA LEU A 93 2.039 -8.931 -5.564 1.00 1.00 C ATOM 946 C LEU A 93 0.575 -8.846 -5.999 1.00 1.00 C ATOM 947 O LEU A 93 0.268 -8.291 -7.052 1.00 1.00 O ATOM 948 CB LEU A 93 2.884 -9.869 -6.428 1.00 1.00 C ATOM 949 CG LEU A 93 4.398 -9.791 -6.220 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.102 -10.989 -6.860 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.954 -8.460 -6.729 1.00 1.00 C ATOM 0 H LEU A 93 2.572 -10.220 -4.000 1.00 1.00 H new ATOM 0 HA LEU A 93 2.469 -7.938 -5.697 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.563 -10.893 -6.238 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.670 -9.657 -7.476 1.00 1.00 H new ATOM 0 HG LEU A 93 4.598 -9.835 -5.149 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.177 -10.909 -6.698 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.735 -11.911 -6.409 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.897 -11.002 -7.930 1.00 1.00 H new ATOM 0 HD21 LEU A 93 6.032 -8.431 -6.569 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.742 -8.361 -7.794 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.485 -7.639 -6.188 1.00 1.00 H new ATOM 963 N LYS A 94 -0.291 -9.406 -5.166 1.00 1.00 N ATOM 964 CA LYS A 94 -1.715 -9.400 -5.451 1.00 1.00 C ATOM 965 C LYS A 94 -2.335 -8.112 -4.906 1.00 1.00 C ATOM 966 O LYS A 94 -3.307 -7.603 -5.463 1.00 1.00 O ATOM 967 CB LYS A 94 -2.374 -10.674 -4.916 1.00 1.00 C ATOM 968 CG LYS A 94 -3.896 -10.601 -5.049 1.00 1.00 C ATOM 969 CD LYS A 94 -4.578 -10.910 -3.715 1.00 1.00 C ATOM 970 CE LYS A 94 -5.168 -12.322 -3.715 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.568 -12.299 -4.193 1.00 1.00 N ATOM 0 H LYS A 94 -0.033 -9.867 -4.293 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.888 -9.407 -6.527 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -1.999 -11.539 -5.463 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.103 -10.816 -3.870 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.188 -9.607 -5.389 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.233 -11.309 -5.806 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.857 -10.813 -2.903 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.368 -10.182 -3.529 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.570 -12.972 -4.354 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.128 -12.739 -2.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.848 -13.255 -4.493 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.192 -11.980 -3.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.649 -11.646 -4.998 1.00 1.00 H new ATOM 984 N ILE A 95 -1.748 -7.622 -3.824 1.00 1.00 N ATOM 985 CA ILE A 95 -2.231 -6.403 -3.198 1.00 1.00 C ATOM 986 C ILE A 95 -1.955 -5.216 -4.123 1.00 1.00 C ATOM 987 O ILE A 95 -2.855 -4.429 -4.413 1.00 1.00 O ATOM 988 CB ILE A 95 -1.631 -6.245 -1.800 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.823 -7.518 -0.974 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.201 -5.013 -1.094 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.289 -7.696 -0.573 1.00 1.00 C ATOM 0 H ILE A 95 -0.942 -8.047 -3.365 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.310 -6.451 -3.053 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.558 -6.088 -1.905 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.492 -8.383 -1.550 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.201 -7.473 -0.080 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.758 -4.924 -0.102 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.970 -4.121 -1.676 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.282 -5.115 -1.000 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.398 -8.608 0.013 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.610 -6.841 0.023 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.906 -7.765 -1.469 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.708 -5.124 -4.560 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.303 -4.047 -5.446 1.00 1.00 C ATOM 1005 C GLY A 96 -1.354 -3.804 -6.531 1.00 1.00 C ATOM 1006 O GLY A 96 -1.482 -2.691 -7.038 1.00 1.00 O ATOM 0 H GLY A 96 0.036 -5.778 -4.317 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.153 -3.134 -4.869 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.653 -4.292 -5.909 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.079 -4.865 -6.855 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.115 -4.781 -7.871 1.00 1.00 C ATOM 1012 C GLU A 97 -4.245 -3.863 -7.402 1.00 1.00 C ATOM 1013 O GLU A 97 -4.682 -2.953 -8.103 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.648 -6.170 -8.226 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.505 -7.178 -8.361 1.00 1.00 C ATOM 1016 CD GLU A 97 -2.971 -8.441 -9.089 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.818 -8.360 -9.991 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.419 -9.536 -8.689 1.00 1.00 O ATOM 0 H GLU A 97 -1.970 -5.787 -6.432 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.678 -4.354 -8.774 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.343 -6.504 -7.456 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.207 -6.121 -9.161 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.677 -6.724 -8.906 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.129 -7.442 -7.372 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.716 -4.126 -6.180 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.787 -3.349 -5.591 1.00 1.00 C ATOM 1028 C TYR A 98 -5.478 -1.864 -5.717 1.00 1.00 C ATOM 1029 O TYR A 98 -6.411 -1.066 -5.778 1.00 1.00 O ATOM 1030 CB TYR A 98 -5.956 -3.745 -4.127 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.165 -3.124 -3.470 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -8.451 -3.521 -3.853 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -7.000 -2.151 -2.477 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -9.573 -2.946 -3.244 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -8.121 -1.575 -1.867 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.407 -1.973 -2.251 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.500 -1.413 -1.657 1.00 1.00 O ATOM 0 H TYR A 98 -4.365 -4.876 -5.585 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.720 -3.550 -6.118 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.033 -4.830 -4.059 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.063 -3.454 -3.575 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -8.578 -4.272 -4.619 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -6.008 -1.845 -2.181 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -10.565 -3.253 -3.540 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -7.994 -0.824 -1.101 1.00 1.00 H new ATOM 0 HH TYR A 98 -10.209 -0.757 -0.989 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.197 -1.526 -5.752 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.793 -0.136 -5.870 1.00 1.00 C ATOM 1049 C VAL A 99 -3.562 0.200 -7.345 1.00 1.00 C ATOM 1050 O VAL A 99 -2.743 1.059 -7.668 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.565 0.128 -4.997 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -1.997 1.525 -5.258 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -2.894 -0.062 -3.515 1.00 1.00 C ATOM 0 H VAL A 99 -3.426 -2.191 -5.701 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.581 0.523 -5.506 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.800 -0.601 -5.266 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.125 1.687 -4.625 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.706 1.610 -6.305 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.755 2.274 -5.030 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.004 0.132 -2.917 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.684 0.632 -3.226 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.230 -1.085 -3.345 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.299 -0.495 -8.199 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.184 -0.281 -9.632 1.00 1.00 C ATOM 1065 C VAL A 100 -5.582 -0.263 -10.254 1.00 1.00 C ATOM 1066 O VAL A 100 -5.723 -0.330 -11.474 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.270 -1.342 -10.248 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.293 -1.266 -11.776 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.842 -1.211 -9.715 1.00 1.00 C ATOM 0 H VAL A 100 -4.978 -1.206 -7.927 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.723 0.685 -9.838 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.649 -2.321 -9.955 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.635 -2.031 -12.188 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.310 -1.431 -12.133 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.951 -0.282 -12.097 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.213 -1.977 -10.169 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.450 -0.225 -9.964 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.845 -1.338 -8.632 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.580 -0.172 -9.387 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.961 -0.145 -9.835 1.00 1.00 C ATOM 1081 C ALA A 101 -8.692 1.013 -9.152 1.00 1.00 C ATOM 1082 O ALA A 101 -9.780 0.830 -8.608 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.618 -1.497 -9.551 1.00 1.00 C ATOM 0 H ALA A 101 -6.459 -0.116 -8.376 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.011 0.022 -10.911 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.655 -1.476 -9.888 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.080 -2.282 -10.083 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.588 -1.698 -8.480 1.00 1.00 H new ATOM 1089 N SER A 102 -8.064 2.179 -9.202 1.00 1.00 N ATOM 1090 CA SER A 102 -8.641 3.366 -8.595 1.00 1.00 C ATOM 1091 C SER A 102 -7.725 4.569 -8.825 1.00 1.00 C ATOM 1092 O SER A 102 -8.200 5.683 -9.042 1.00 1.00 O ATOM 1093 CB SER A 102 -8.879 3.158 -7.097 1.00 1.00 C ATOM 1094 OG SER A 102 -10.267 3.102 -6.780 1.00 1.00 O ATOM 0 H SER A 102 -7.161 2.327 -9.654 1.00 1.00 H new ATOM 0 HA SER A 102 -9.605 3.557 -9.066 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.397 2.234 -6.778 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.412 3.970 -6.540 1.00 1.00 H new ATOM 0 HG SER A 102 -10.681 2.353 -7.257 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.428 4.305 -8.769 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.441 5.352 -8.969 1.00 1.00 C ATOM 1102 C PHE A 103 -4.047 4.759 -9.183 1.00 1.00 C ATOM 1103 O PHE A 103 -3.201 4.742 -8.292 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.430 6.204 -7.699 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.837 5.443 -6.435 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.285 4.230 -6.165 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.751 5.980 -5.583 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.662 3.524 -4.992 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.128 5.274 -4.411 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.576 4.061 -4.140 1.00 1.00 C ATOM 0 H PHE A 103 -6.038 3.380 -8.588 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.696 5.939 -9.851 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.430 6.614 -7.558 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.105 7.049 -7.835 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.560 3.804 -6.843 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.190 6.943 -5.798 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.223 2.561 -4.777 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -7.854 5.700 -3.734 1.00 1.00 H new ATOM 0 HZ PHE A 103 -6.863 3.524 -3.248 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.826 4.265 -10.404 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.581 3.659 -10.825 1.00 1.00 C ATOM 1122 C PRO A 104 -1.622 4.741 -11.302 1.00 1.00 C ATOM 1123 O PRO A 104 -0.500 4.839 -10.811 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.967 2.726 -11.971 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.173 3.416 -12.577 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.798 4.268 -11.475 1.00 1.00 C ATOM 0 HA PRO A 104 -2.079 3.120 -10.022 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.158 2.617 -12.694 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.211 1.726 -11.613 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -3.878 4.036 -13.424 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.889 2.684 -12.952 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.997 5.281 -11.824 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.750 3.851 -11.146 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.436 2.772 4.205 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.757 5.604 2.794 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.260 1.348 0.958 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.960 -0.165 5.424 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.222 4.272 7.221 1.00 1.00 C HETATM 1140 NA HEC A 201 0.956 3.330 2.272 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.401 4.589 1.911 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.447 4.712 0.473 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.033 3.534 -0.039 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.726 2.670 1.077 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.901 3.150 -1.484 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.883 5.941 -0.271 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.396 6.080 -0.408 1.00 1.00 C HETATM 1148 CGA HEC A 201 4.076 4.718 -0.382 1.00 1.00 C HETATM 1149 O1A HEC A 201 3.430 3.753 -0.843 1.00 1.00 O HETATM 1150 O2A HEC A 201 5.228 4.669 0.100 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.231 0.969 3.345 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.187 0.571 2.021 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.675 -0.782 1.888 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.014 -1.204 3.125 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.739 -0.117 4.035 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.770 -1.538 0.595 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.573 -2.539 3.524 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.771 -3.728 3.006 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.166 2.151 6.001 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.768 0.957 6.357 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.243 1.022 7.719 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.933 2.249 8.190 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.262 2.955 7.124 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.947 -0.092 8.438 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.211 2.814 9.552 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.750 1.921 10.701 1.00 1.00 C HETATM 1167 ND HEC A 201 0.814 4.586 4.846 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.809 4.976 6.174 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.507 6.230 6.330 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.934 6.602 5.105 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.505 5.582 4.178 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.698 6.951 7.633 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.709 7.832 4.730 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.200 7.585 4.519 1.00 1.00 C HETATM 1175 CGD HEC A 201 5.037 8.544 5.353 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.984 9.121 4.776 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.715 8.682 6.553 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.725 7.194 8.060 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.249 6.313 8.324 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.259 7.870 7.462 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.863 -0.347 7.905 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.297 -0.966 8.481 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.193 0.227 9.451 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.430 -1.005 -0.090 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.221 -1.625 0.150 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.171 -2.534 0.784 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.195 3.819 -1.975 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.873 3.227 -1.971 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.540 2.124 -1.556 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.443 6.557 4.788 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.446 7.705 3.464 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.260 0.960 10.642 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.327 1.765 10.631 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.987 2.400 11.651 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.746 -3.703 1.917 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.246 -3.677 3.394 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.239 -4.655 3.337 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.634 6.591 -1.341 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.782 6.698 0.402 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.287 8.250 3.816 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.582 8.581 5.511 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.438 5.928 -1.266 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.493 6.821 0.241 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.131 4.776 8.183 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.302 -1.111 5.844 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.249 0.902 -0.036 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.266 6.477 2.385 1.00 1.00 H new HETATM 0 H2D HEC A 201 3.988 9.335 6.624 1.00 1.00 H new HETATM 0 H2A HEC A 201 5.558 3.747 0.065 1.00 1.00 H new