USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 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 :FLIP no HE2:sc= -0.817 F(o=-2.4!,f=-0.82) USER MOD Set 1.2: A 201 HEC O2D : rot 165:sc=-0.00756 USER MOD Single : A 33 THR OG1 : rot 38:sc= 1.24 USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.046 F(o=-0.53,f=0.046) USER MOD Single : A 41 GLN : amide:sc=-0.00852 X(o=-0.0085,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.689 K(o=-0.69,f=-3.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.18) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.146 F(o=-2.2!,f=-0.15) USER MOD Single : A 64 THR OG1 : rot -129:sc= -2.19 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.0065) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -155:sc= -0.0969 (180deg=-0.669) USER MOD Single : A 94 LYS NZ :NH3+ -105:sc= -1.26 (180deg=-5.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 104:sc= 0.892 USER MOD Single : A 201 HEC O2A : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.606 -7.628 -6.916 1.00 1.00 N ATOM 2 CA ALA A 25 -11.269 -8.730 -6.239 1.00 1.00 C ATOM 3 C ALA A 25 -10.217 -9.625 -5.580 1.00 1.00 C ATOM 4 O ALA A 25 -9.275 -10.068 -6.235 1.00 1.00 O ATOM 5 CB ALA A 25 -12.140 -9.494 -7.239 1.00 1.00 C ATOM 0 HA ALA A 25 -11.925 -8.358 -5.452 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.637 -10.321 -6.731 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -12.889 -8.822 -7.657 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.515 -9.885 -8.042 1.00 1.00 H new ATOM 11 N GLY A 26 -10.414 -9.863 -4.291 1.00 1.00 N ATOM 12 CA GLY A 26 -9.494 -10.697 -3.536 1.00 1.00 C ATOM 13 C GLY A 26 -8.432 -9.847 -2.836 1.00 1.00 C ATOM 14 O GLY A 26 -8.411 -9.758 -1.610 1.00 1.00 O ATOM 0 H GLY A 26 -11.196 -9.493 -3.751 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.046 -11.277 -2.797 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.012 -11.410 -4.205 1.00 1.00 H new ATOM 18 N GLY A 27 -7.575 -9.243 -3.647 1.00 1.00 N ATOM 19 CA GLY A 27 -6.512 -8.403 -3.121 1.00 1.00 C ATOM 20 C GLY A 27 -7.081 -7.278 -2.254 1.00 1.00 C ATOM 21 O GLY A 27 -6.415 -6.796 -1.339 1.00 1.00 O ATOM 0 H GLY A 27 -7.595 -9.319 -4.664 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -5.823 -9.008 -2.532 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.938 -7.978 -3.945 1.00 1.00 H new ATOM 25 N GLY A 28 -8.308 -6.891 -2.573 1.00 1.00 N ATOM 26 CA GLY A 28 -8.974 -5.831 -1.835 1.00 1.00 C ATOM 27 C GLY A 28 -9.358 -6.299 -0.430 1.00 1.00 C ATOM 28 O GLY A 28 -9.139 -5.586 0.548 1.00 1.00 O ATOM 0 H GLY A 28 -8.858 -7.293 -3.332 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.318 -4.963 -1.767 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.867 -5.514 -2.373 1.00 1.00 H new ATOM 32 N GLU A 29 -9.925 -7.495 -0.374 1.00 1.00 N ATOM 33 CA GLU A 29 -10.342 -8.067 0.895 1.00 1.00 C ATOM 34 C GLU A 29 -9.180 -8.055 1.890 1.00 1.00 C ATOM 35 O GLU A 29 -9.396 -8.034 3.101 1.00 1.00 O ATOM 36 CB GLU A 29 -10.887 -9.485 0.705 1.00 1.00 C ATOM 37 CG GLU A 29 -11.475 -10.025 2.010 1.00 1.00 C ATOM 38 CD GLU A 29 -12.998 -9.884 2.024 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.534 -8.897 1.499 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.630 -10.845 2.608 1.00 1.00 O ATOM 0 H GLU A 29 -10.105 -8.084 -1.187 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.148 -7.455 1.300 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.653 -9.483 -0.070 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.088 -10.143 0.362 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.202 -11.073 2.130 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -11.048 -9.486 2.856 1.00 1.00 H new ATOM 48 N LEU A 30 -7.974 -8.067 1.342 1.00 1.00 N ATOM 49 CA LEU A 30 -6.778 -8.057 2.167 1.00 1.00 C ATOM 50 C LEU A 30 -6.460 -6.619 2.580 1.00 1.00 C ATOM 51 O LEU A 30 -6.105 -6.364 3.730 1.00 1.00 O ATOM 52 CB LEU A 30 -5.625 -8.759 1.447 1.00 1.00 C ATOM 53 CG LEU A 30 -5.892 -10.196 0.994 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.588 -10.907 0.627 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.687 -10.965 2.050 1.00 1.00 C ATOM 0 H LEU A 30 -7.799 -8.084 0.337 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.943 -8.623 3.084 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.356 -8.168 0.572 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.759 -8.763 2.108 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.504 -10.162 0.093 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.807 -11.926 0.309 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.097 -10.371 -0.185 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.930 -10.931 1.496 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.863 -11.983 1.703 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.123 -10.992 2.982 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.643 -10.469 2.219 1.00 1.00 H new ATOM 67 N PHE A 31 -6.600 -5.717 1.620 1.00 1.00 N ATOM 68 CA PHE A 31 -6.332 -4.310 1.870 1.00 1.00 C ATOM 69 C PHE A 31 -7.407 -3.700 2.772 1.00 1.00 C ATOM 70 O PHE A 31 -7.174 -2.678 3.415 1.00 1.00 O ATOM 71 CB PHE A 31 -6.358 -3.602 0.514 1.00 1.00 C ATOM 72 CG PHE A 31 -6.389 -2.076 0.610 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.302 -1.349 0.234 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.502 -1.445 1.070 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.330 0.068 0.323 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.531 -0.028 1.159 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.444 0.698 0.783 1.00 1.00 C ATOM 0 H PHE A 31 -6.895 -5.932 0.668 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.370 -4.197 2.369 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.480 -3.902 -0.058 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.232 -3.939 -0.044 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.418 -1.850 -0.132 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.365 -2.022 1.368 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.467 0.645 0.026 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.415 0.473 1.525 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.466 1.776 0.850 1.00 1.00 H new ATOM 87 N ALA A 32 -8.560 -4.352 2.789 1.00 1.00 N ATOM 88 CA ALA A 32 -9.671 -3.885 3.601 1.00 1.00 C ATOM 89 C ALA A 32 -9.641 -4.597 4.955 1.00 1.00 C ATOM 90 O ALA A 32 -10.675 -5.048 5.446 1.00 1.00 O ATOM 91 CB ALA A 32 -10.984 -4.116 2.851 1.00 1.00 C ATOM 0 H ALA A 32 -8.749 -5.199 2.254 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.586 -2.815 3.788 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.817 -3.766 3.460 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.967 -3.567 1.910 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.105 -5.180 2.648 1.00 1.00 H new ATOM 97 N THR A 33 -8.446 -4.674 5.521 1.00 1.00 N ATOM 98 CA THR A 33 -8.267 -5.323 6.809 1.00 1.00 C ATOM 99 C THR A 33 -6.847 -5.095 7.329 1.00 1.00 C ATOM 100 O THR A 33 -6.646 -4.883 8.524 1.00 1.00 O ATOM 101 CB THR A 33 -8.625 -6.802 6.647 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.004 -6.866 6.998 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.934 -7.688 7.685 1.00 1.00 C ATOM 0 H THR A 33 -7.591 -4.297 5.111 1.00 1.00 H new ATOM 0 HA THR A 33 -8.928 -4.894 7.563 1.00 1.00 H new ATOM 0 HB THR A 33 -8.351 -7.134 5.646 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.464 -6.068 6.663 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.222 -8.727 7.526 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.853 -7.591 7.584 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.234 -7.378 8.686 1.00 1.00 H new ATOM 111 N HIS A 34 -5.898 -5.145 6.406 1.00 1.00 N ATOM 112 CA HIS A 34 -4.502 -4.946 6.756 1.00 1.00 C ATOM 113 C HIS A 34 -4.069 -3.533 6.361 1.00 1.00 C ATOM 114 O HIS A 34 -2.953 -3.114 6.663 1.00 1.00 O ATOM 115 CB HIS A 34 -3.624 -6.032 6.129 1.00 1.00 C ATOM 116 CG HIS A 34 -4.065 -7.440 6.450 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.814 -8.325 5.732 1.00 1.00 N flip ATOM 118 CD2 HIS A 34 -3.735 -8.077 7.633 1.00 1.00 C flip ATOM 119 CE1 HIS A 34 -4.933 -9.443 6.437 1.00 1.00 C flip ATOM 120 NE2 HIS A 34 -4.265 -9.291 7.616 1.00 1.00 N flip ATOM 0 H HIS A 34 -6.068 -5.321 5.416 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.378 -5.038 7.835 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.620 -5.901 5.047 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.598 -5.897 6.470 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -5.215 -8.156 4.809 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -3.146 -7.656 8.434 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -5.470 -10.327 6.128 1.00 1.00 H new ATOM 128 N CYS A 35 -4.976 -2.837 5.691 1.00 1.00 N ATOM 129 CA CYS A 35 -4.703 -1.479 5.251 1.00 1.00 C ATOM 130 C CYS A 35 -5.890 -0.598 5.647 1.00 1.00 C ATOM 131 O CYS A 35 -5.706 0.486 6.197 1.00 1.00 O ATOM 132 CB CYS A 35 -4.421 -1.417 3.749 1.00 1.00 C ATOM 133 SG CYS A 35 -3.396 -2.788 3.103 1.00 1.00 S ATOM 0 H CYS A 35 -5.901 -3.188 5.442 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.800 -1.110 5.738 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.371 -1.410 3.215 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.923 -0.473 3.526 1.00 1.00 H new ATOM 138 N ALA A 36 -7.081 -1.097 5.351 1.00 1.00 N ATOM 139 CA ALA A 36 -8.297 -0.369 5.668 1.00 1.00 C ATOM 140 C ALA A 36 -8.138 0.313 7.028 1.00 1.00 C ATOM 141 O ALA A 36 -8.665 1.403 7.245 1.00 1.00 O ATOM 142 CB ALA A 36 -9.490 -1.327 5.633 1.00 1.00 C ATOM 0 H ALA A 36 -7.229 -1.997 4.895 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.482 0.409 4.928 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.403 -0.781 5.871 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.577 -1.763 4.638 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.341 -2.121 6.365 1.00 1.00 H new ATOM 148 N GLY A 37 -7.409 -0.356 7.908 1.00 1.00 N ATOM 149 CA GLY A 37 -7.173 0.172 9.241 1.00 1.00 C ATOM 150 C GLY A 37 -6.033 1.193 9.233 1.00 1.00 C ATOM 151 O GLY A 37 -5.141 1.140 10.078 1.00 1.00 O ATOM 0 H GLY A 37 -6.973 -1.260 7.724 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.083 0.640 9.617 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.930 -0.644 9.922 1.00 1.00 H new ATOM 155 N CYS A 38 -6.100 2.099 8.269 1.00 1.00 N ATOM 156 CA CYS A 38 -5.085 3.130 8.139 1.00 1.00 C ATOM 157 C CYS A 38 -5.279 3.829 6.792 1.00 1.00 C ATOM 158 O CYS A 38 -5.008 5.022 6.663 1.00 1.00 O ATOM 159 CB CYS A 38 -3.674 2.557 8.287 1.00 1.00 C ATOM 160 SG CYS A 38 -2.967 3.045 9.903 1.00 1.00 S ATOM 0 H CYS A 38 -6.842 2.140 7.570 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.197 3.857 8.943 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.704 1.470 8.207 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.039 2.919 7.479 1.00 1.00 H new ATOM 165 N HIS A 39 -5.747 3.056 5.823 1.00 1.00 N ATOM 166 CA HIS A 39 -5.980 3.586 4.490 1.00 1.00 C ATOM 167 C HIS A 39 -7.469 3.486 4.151 1.00 1.00 C ATOM 168 O HIS A 39 -7.879 2.822 3.202 1.00 1.00 O ATOM 169 CB HIS A 39 -5.090 2.884 3.463 1.00 1.00 C ATOM 170 CG HIS A 39 -3.634 3.275 3.542 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.192 4.569 3.326 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.524 2.530 3.818 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.875 4.590 3.466 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.463 3.325 3.770 1.00 1.00 N ATOM 0 H HIS A 39 -5.971 2.067 5.934 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.706 4.641 4.461 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.174 1.806 3.601 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.462 3.107 2.463 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.781 5.370 3.098 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.512 1.473 4.038 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.239 5.456 3.358 1.00 1.00 H new ATOM 182 N PRO A 40 -8.279 4.170 4.962 1.00 1.00 N ATOM 183 CA PRO A 40 -9.719 4.218 4.826 1.00 1.00 C ATOM 184 C PRO A 40 -10.091 5.094 3.638 1.00 1.00 C ATOM 185 O PRO A 40 -9.597 6.217 3.551 1.00 1.00 O ATOM 186 CB PRO A 40 -10.215 4.830 6.134 1.00 1.00 C ATOM 187 CG PRO A 40 -9.023 5.843 6.450 1.00 1.00 C ATOM 188 CD PRO A 40 -7.830 4.961 6.088 1.00 1.00 C ATOM 0 HA PRO A 40 -10.162 3.238 4.649 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.172 5.339 6.017 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.344 4.084 6.918 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.072 6.748 5.844 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.008 6.158 7.493 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.959 5.562 5.826 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.539 4.327 6.925 1.00 1.00 H new ATOM 196 N GLN A 41 -10.937 4.576 2.761 1.00 1.00 N ATOM 197 CA GLN A 41 -11.356 5.328 1.590 1.00 1.00 C ATOM 198 C GLN A 41 -10.143 5.965 0.907 1.00 1.00 C ATOM 199 O GLN A 41 -10.153 7.157 0.603 1.00 1.00 O ATOM 200 CB GLN A 41 -12.395 6.388 1.962 1.00 1.00 C ATOM 201 CG GLN A 41 -13.330 6.675 0.786 1.00 1.00 C ATOM 202 CD GLN A 41 -13.698 8.159 0.728 1.00 1.00 C ATOM 203 OE1 GLN A 41 -12.878 9.018 0.448 1.00 1.00 O ATOM 204 NE2 GLN A 41 -14.974 8.412 1.007 1.00 1.00 N ATOM 0 H GLN A 41 -11.344 3.644 2.837 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.824 4.639 0.887 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.976 6.048 2.819 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.891 7.306 2.263 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -12.849 6.379 -0.146 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -14.235 6.076 0.882 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.608 7.646 1.234 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -15.318 9.372 0.994 1.00 1.00 H new ATOM 213 N GLY A 42 -9.129 5.142 0.686 1.00 1.00 N ATOM 214 CA GLY A 42 -7.912 5.610 0.045 1.00 1.00 C ATOM 215 C GLY A 42 -7.346 6.833 0.769 1.00 1.00 C ATOM 216 O GLY A 42 -6.541 7.574 0.207 1.00 1.00 O ATOM 0 H GLY A 42 -9.125 4.154 0.939 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.170 4.811 0.038 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.118 5.862 -0.995 1.00 1.00 H new ATOM 220 N GLY A 43 -7.788 7.006 2.006 1.00 1.00 N ATOM 221 CA GLY A 43 -7.336 8.126 2.813 1.00 1.00 C ATOM 222 C GLY A 43 -6.242 7.691 3.791 1.00 1.00 C ATOM 223 O GLY A 43 -5.533 6.718 3.542 1.00 1.00 O ATOM 0 H GLY A 43 -8.455 6.389 2.469 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.956 8.916 2.165 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.178 8.544 3.366 1.00 1.00 H new ATOM 227 N ASN A 44 -6.140 8.434 4.883 1.00 1.00 N ATOM 228 CA ASN A 44 -5.145 8.137 5.900 1.00 1.00 C ATOM 229 C ASN A 44 -5.545 8.815 7.212 1.00 1.00 C ATOM 230 O ASN A 44 -6.029 9.946 7.208 1.00 1.00 O ATOM 231 CB ASN A 44 -3.769 8.667 5.495 1.00 1.00 C ATOM 232 CG ASN A 44 -2.784 7.519 5.265 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.019 6.382 5.641 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.673 7.878 4.630 1.00 1.00 N ATOM 0 H ASN A 44 -6.730 9.241 5.086 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.095 7.054 6.017 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.858 9.262 4.586 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.387 9.328 6.273 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -0.953 7.184 4.430 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.540 8.848 4.343 1.00 1.00 H new ATOM 241 N THR A 45 -5.329 8.095 8.303 1.00 1.00 N ATOM 242 CA THR A 45 -5.661 8.613 9.619 1.00 1.00 C ATOM 243 C THR A 45 -4.389 9.001 10.376 1.00 1.00 C ATOM 244 O THR A 45 -4.452 9.415 11.533 1.00 1.00 O ATOM 245 CB THR A 45 -6.501 7.560 10.344 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.774 6.348 10.160 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.840 7.299 9.649 1.00 1.00 C ATOM 0 H THR A 45 -4.928 7.157 8.302 1.00 1.00 H new ATOM 0 HA THR A 45 -6.251 9.527 9.547 1.00 1.00 H new ATOM 0 HB THR A 45 -6.680 7.883 11.370 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.248 5.612 10.601 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.397 6.544 10.204 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.418 8.223 9.613 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.660 6.944 8.634 1.00 1.00 H new ATOM 255 N VAL A 46 -3.264 8.853 9.693 1.00 1.00 N ATOM 256 CA VAL A 46 -1.979 9.182 10.286 1.00 1.00 C ATOM 257 C VAL A 46 -1.410 10.426 9.600 1.00 1.00 C ATOM 258 O VAL A 46 -1.155 11.438 10.253 1.00 1.00 O ATOM 259 CB VAL A 46 -1.042 7.976 10.208 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.311 8.290 10.851 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.681 6.743 10.851 1.00 1.00 C ATOM 0 H VAL A 46 -3.215 8.509 8.734 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.096 9.418 11.344 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.869 7.754 9.155 1.00 1.00 H new ATOM 0 HG11 VAL A 46 0.958 7.416 10.782 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.776 9.127 10.331 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.164 8.551 11.899 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.994 5.899 10.782 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.897 6.950 11.899 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.607 6.500 10.330 1.00 1.00 H new ATOM 271 N HIS A 47 -1.227 10.311 8.293 1.00 1.00 N ATOM 272 CA HIS A 47 -0.693 11.414 7.512 1.00 1.00 C ATOM 273 C HIS A 47 -1.733 11.868 6.486 1.00 1.00 C ATOM 274 O HIS A 47 -2.125 11.131 5.584 1.00 1.00 O ATOM 275 CB HIS A 47 0.643 11.029 6.872 1.00 1.00 C ATOM 276 CG HIS A 47 1.777 10.882 7.858 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.806 11.038 9.212 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 3.062 10.537 7.476 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.041 10.799 9.636 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.822 10.489 8.561 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.439 9.471 7.755 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.486 12.261 8.166 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.519 10.089 6.334 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.912 11.785 6.135 1.00 1.00 H new ATOM 0 HD1 HIS A 47 1.013 11.295 9.800 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.390 10.340 6.466 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.373 10.843 10.663 1.00 1.00 H new ATOM 288 N PRO A 48 -2.177 13.116 6.648 1.00 1.00 N ATOM 289 CA PRO A 48 -3.159 13.750 5.795 1.00 1.00 C ATOM 290 C PRO A 48 -2.458 14.418 4.620 1.00 1.00 C ATOM 291 O PRO A 48 -3.097 15.196 3.912 1.00 1.00 O ATOM 292 CB PRO A 48 -3.842 14.785 6.685 1.00 1.00 C ATOM 293 CG PRO A 48 -2.610 15.254 7.547 1.00 1.00 C ATOM 294 CD PRO A 48 -1.738 14.010 7.698 1.00 1.00 C ATOM 0 HA PRO A 48 -3.878 13.045 5.378 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.285 15.600 6.113 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.637 14.353 7.293 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.066 16.060 7.053 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.929 15.633 8.518 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.681 14.254 7.593 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.864 13.556 8.681 1.00 1.00 H new ATOM 302 N GLU A 49 -1.183 14.112 4.437 1.00 1.00 N ATOM 303 CA GLU A 49 -0.422 14.696 3.346 1.00 1.00 C ATOM 304 C GLU A 49 0.178 13.596 2.468 1.00 1.00 C ATOM 305 O GLU A 49 0.826 13.883 1.462 1.00 1.00 O ATOM 306 CB GLU A 49 0.669 15.630 3.876 1.00 1.00 C ATOM 307 CG GLU A 49 0.119 16.550 4.968 1.00 1.00 C ATOM 308 CD GLU A 49 -0.121 17.961 4.427 1.00 1.00 C ATOM 309 OE1 GLU A 49 -0.973 18.150 3.545 1.00 1.00 O ATOM 310 OE2 GLU A 49 0.613 18.880 4.956 1.00 1.00 O ATOM 0 H GLU A 49 -0.657 13.467 5.026 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.100 15.292 2.735 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.496 15.041 4.274 1.00 1.00 H new ATOM 0 HB3 GLU A 49 1.069 16.229 3.058 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -0.814 16.142 5.356 1.00 1.00 H new ATOM 0 HG3 GLU A 49 0.820 16.591 5.801 1.00 1.00 H new ATOM 318 N LYS A 50 -0.060 12.359 2.880 1.00 1.00 N ATOM 319 CA LYS A 50 0.449 11.215 2.143 1.00 1.00 C ATOM 320 C LYS A 50 -0.698 10.240 1.869 1.00 1.00 C ATOM 321 O LYS A 50 -0.961 9.344 2.670 1.00 1.00 O ATOM 322 CB LYS A 50 1.629 10.583 2.884 1.00 1.00 C ATOM 323 CG LYS A 50 2.613 11.653 3.362 1.00 1.00 C ATOM 324 CD LYS A 50 3.557 12.073 2.233 1.00 1.00 C ATOM 325 CE LYS A 50 3.913 13.557 2.340 1.00 1.00 C ATOM 326 NZ LYS A 50 3.424 14.295 1.154 1.00 1.00 N ATOM 0 H LYS A 50 -0.598 12.124 3.714 1.00 1.00 H new ATOM 0 HA LYS A 50 0.841 11.528 1.175 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.263 10.013 3.738 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.141 9.880 2.227 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.063 12.522 3.724 1.00 1.00 H new ATOM 0 HG3 LYS A 50 3.193 11.270 4.202 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.466 11.473 2.272 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.087 11.877 1.269 1.00 1.00 H new ATOM 0 HE2 LYS A 50 3.473 13.978 3.244 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.993 13.672 2.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 3.599 15.312 1.282 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 3.926 13.961 0.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 2.403 14.131 1.039 1.00 1.00 H new ATOM 339 N THR A 51 -1.351 10.448 0.735 1.00 1.00 N ATOM 340 CA THR A 51 -2.463 9.599 0.345 1.00 1.00 C ATOM 341 C THR A 51 -2.016 8.585 -0.710 1.00 1.00 C ATOM 342 O THR A 51 -0.821 8.413 -0.944 1.00 1.00 O ATOM 343 CB THR A 51 -3.605 10.502 -0.126 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.108 11.095 -1.322 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.837 11.689 0.811 1.00 1.00 C ATOM 0 H THR A 51 -1.131 11.193 0.074 1.00 1.00 H new ATOM 0 HA THR A 51 -2.823 9.008 1.187 1.00 1.00 H new ATOM 0 HB THR A 51 -4.522 9.917 -0.204 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.786 11.695 -1.696 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.658 12.298 0.431 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.087 11.323 1.807 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.931 12.293 0.864 1.00 1.00 H new ATOM 353 N LEU A 52 -3.000 7.938 -1.318 1.00 1.00 N ATOM 354 CA LEU A 52 -2.723 6.946 -2.342 1.00 1.00 C ATOM 355 C LEU A 52 -2.846 7.595 -3.722 1.00 1.00 C ATOM 356 O LEU A 52 -3.039 6.905 -4.722 1.00 1.00 O ATOM 357 CB LEU A 52 -3.620 5.720 -2.157 1.00 1.00 C ATOM 358 CG LEU A 52 -3.454 4.961 -0.839 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.396 3.757 -0.777 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.995 4.559 -0.617 1.00 1.00 C ATOM 0 H LEU A 52 -3.990 8.082 -1.121 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.700 6.581 -2.251 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.659 6.038 -2.242 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.431 5.029 -2.978 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.731 5.629 -0.024 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.258 3.235 0.170 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.428 4.098 -0.856 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.174 3.079 -1.601 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.905 4.021 0.327 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.666 3.916 -1.434 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.372 5.453 -0.586 1.00 1.00 H new ATOM 372 N ALA A 53 -2.730 8.915 -3.732 1.00 1.00 N ATOM 373 CA ALA A 53 -2.827 9.665 -4.973 1.00 1.00 C ATOM 374 C ALA A 53 -1.486 9.602 -5.707 1.00 1.00 C ATOM 375 O ALA A 53 -0.435 9.829 -5.109 1.00 1.00 O ATOM 376 CB ALA A 53 -3.258 11.101 -4.669 1.00 1.00 C ATOM 0 H ALA A 53 -2.570 9.484 -2.901 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.582 9.229 -5.627 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.331 11.664 -5.600 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.229 11.092 -4.173 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.522 11.572 -4.017 1.00 1.00 H new ATOM 382 N ARG A 54 -1.566 9.293 -6.993 1.00 1.00 N ATOM 383 CA ARG A 54 -0.371 9.197 -7.815 1.00 1.00 C ATOM 384 C ARG A 54 0.454 10.480 -7.704 1.00 1.00 C ATOM 385 O ARG A 54 1.681 10.441 -7.772 1.00 1.00 O ATOM 386 CB ARG A 54 -0.731 8.955 -9.283 1.00 1.00 C ATOM 387 CG ARG A 54 0.517 8.635 -10.107 1.00 1.00 C ATOM 388 CD ARG A 54 0.340 9.073 -11.562 1.00 1.00 C ATOM 389 NE ARG A 54 1.295 8.347 -12.429 1.00 1.00 N ATOM 390 CZ ARG A 54 1.100 8.119 -13.745 1.00 1.00 C ATOM 391 NH1 ARG A 54 2.020 7.459 -14.424 1.00 1.00 N ATOM 392 NH2 ARG A 54 -0.020 8.559 -14.358 1.00 1.00 N ATOM 0 H ARG A 54 -2.439 9.106 -7.486 1.00 1.00 H new ATOM 0 HA ARG A 54 0.215 8.352 -7.452 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.441 8.131 -9.356 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.224 9.838 -9.691 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.382 9.138 -9.675 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.719 7.565 -10.068 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.681 8.877 -11.888 1.00 1.00 H new ATOM 0 HD3 ARG A 54 0.501 10.147 -11.649 1.00 1.00 H new ATOM 0 HE ARG A 54 2.154 7.997 -12.005 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.863 7.130 -13.953 1.00 1.00 H new ATOM 0 HH12 ARG A 54 1.888 7.278 -15.419 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -0.726 9.068 -13.826 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -0.160 8.383 -15.353 1.00 1.00 H new ATOM 402 N ALA A 55 -0.253 11.588 -7.534 1.00 1.00 N ATOM 403 CA ALA A 55 0.399 12.881 -7.413 1.00 1.00 C ATOM 404 C ALA A 55 1.557 12.772 -6.419 1.00 1.00 C ATOM 405 O ALA A 55 2.644 13.290 -6.668 1.00 1.00 O ATOM 406 CB ALA A 55 -0.630 13.934 -6.996 1.00 1.00 C ATOM 0 H ALA A 55 -1.271 11.617 -7.477 1.00 1.00 H new ATOM 0 HA ALA A 55 0.815 13.193 -8.371 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.141 14.904 -6.905 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.416 13.993 -7.749 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.066 13.656 -6.037 1.00 1.00 H new ATOM 412 N ARG A 56 1.285 12.094 -5.314 1.00 1.00 N ATOM 413 CA ARG A 56 2.290 11.910 -4.282 1.00 1.00 C ATOM 414 C ARG A 56 3.173 10.704 -4.609 1.00 1.00 C ATOM 415 O ARG A 56 4.372 10.715 -4.336 1.00 1.00 O ATOM 416 CB ARG A 56 1.642 11.703 -2.911 1.00 1.00 C ATOM 417 CG ARG A 56 1.611 13.010 -2.116 1.00 1.00 C ATOM 418 CD ARG A 56 0.646 14.014 -2.750 1.00 1.00 C ATOM 419 NE ARG A 56 0.360 15.111 -1.798 1.00 1.00 N ATOM 420 CZ ARG A 56 -0.417 14.978 -0.702 1.00 1.00 C ATOM 421 NH1 ARG A 56 -0.605 16.025 0.080 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.992 13.792 -0.409 1.00 1.00 N ATOM 0 H ARG A 56 0.382 11.665 -5.111 1.00 1.00 H new ATOM 0 HA ARG A 56 2.900 12.813 -4.250 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.627 11.326 -3.038 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.195 10.947 -2.354 1.00 1.00 H new ATOM 0 HG2 ARG A 56 1.308 12.808 -1.089 1.00 1.00 H new ATOM 0 HG3 ARG A 56 2.612 13.439 -2.075 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.079 14.419 -3.665 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -0.281 13.513 -3.030 1.00 1.00 H new ATOM 0 HE ARG A 56 0.776 16.024 -1.982 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -0.166 16.917 -0.148 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -1.189 15.942 0.912 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.841 12.988 -1.018 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -1.578 13.700 0.421 1.00 1.00 H new ATOM 432 N ARG A 57 2.544 9.691 -5.188 1.00 1.00 N ATOM 433 CA ARG A 57 3.257 8.479 -5.555 1.00 1.00 C ATOM 434 C ARG A 57 4.269 8.774 -6.664 1.00 1.00 C ATOM 435 O ARG A 57 5.080 7.917 -7.013 1.00 1.00 O ATOM 436 CB ARG A 57 2.289 7.395 -6.032 1.00 1.00 C ATOM 437 CG ARG A 57 1.080 7.290 -5.100 1.00 1.00 C ATOM 438 CD ARG A 57 1.087 5.961 -4.342 1.00 1.00 C ATOM 439 NE ARG A 57 0.888 4.838 -5.286 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.269 4.593 -5.937 1.00 1.00 C ATOM 441 NH1 ARG A 57 -0.335 3.561 -6.758 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.342 5.391 -5.753 1.00 1.00 N ATOM 0 H ARG A 57 1.549 9.685 -5.412 1.00 1.00 H new ATOM 0 HA ARG A 57 3.779 8.119 -4.668 1.00 1.00 H new ATOM 0 HB2 ARG A 57 1.954 7.622 -7.044 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.804 6.435 -6.074 1.00 1.00 H new ATOM 0 HG2 ARG A 57 1.090 8.118 -4.391 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.161 7.378 -5.679 1.00 1.00 H new ATOM 0 HD2 ARG A 57 2.033 5.839 -3.814 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.299 5.958 -3.589 1.00 1.00 H new ATOM 0 HE ARG A 57 1.674 4.210 -5.455 1.00 1.00 H new ATOM 0 HH11 ARG A 57 0.480 2.963 -6.892 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.201 3.362 -7.258 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -1.283 6.187 -5.118 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -2.212 5.198 -6.249 1.00 1.00 H new ATOM 452 N GLU A 58 4.189 9.989 -7.187 1.00 1.00 N ATOM 453 CA GLU A 58 5.088 10.407 -8.249 1.00 1.00 C ATOM 454 C GLU A 58 6.399 10.930 -7.659 1.00 1.00 C ATOM 455 O GLU A 58 7.480 10.560 -8.114 1.00 1.00 O ATOM 456 CB GLU A 58 4.430 11.461 -9.141 1.00 1.00 C ATOM 457 CG GLU A 58 4.856 12.872 -8.730 1.00 1.00 C ATOM 458 CD GLU A 58 4.229 13.923 -9.648 1.00 1.00 C ATOM 459 OE1 GLU A 58 4.934 14.529 -10.469 1.00 1.00 O ATOM 460 OE2 GLU A 58 2.962 14.101 -9.487 1.00 1.00 O ATOM 0 H GLU A 58 3.515 10.697 -6.895 1.00 1.00 H new ATOM 0 HA GLU A 58 5.312 9.540 -8.871 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.703 11.284 -10.181 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.346 11.371 -9.076 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.557 13.060 -7.699 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.942 12.953 -8.767 1.00 1.00 H new ATOM 468 N ALA A 59 6.261 11.783 -6.654 1.00 1.00 N ATOM 469 CA ALA A 59 7.421 12.360 -5.997 1.00 1.00 C ATOM 470 C ALA A 59 8.335 11.236 -5.504 1.00 1.00 C ATOM 471 O ALA A 59 9.525 11.218 -5.814 1.00 1.00 O ATOM 472 CB ALA A 59 6.961 13.278 -4.863 1.00 1.00 C ATOM 0 H ALA A 59 5.363 12.088 -6.279 1.00 1.00 H new ATOM 0 HA ALA A 59 7.995 12.968 -6.696 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.831 13.711 -4.370 1.00 1.00 H new ATOM 0 HB2 ALA A 59 6.340 14.076 -5.270 1.00 1.00 H new ATOM 0 HB3 ALA A 59 6.384 12.702 -4.140 1.00 1.00 H new ATOM 478 N ASN A 60 7.743 10.327 -4.744 1.00 1.00 N ATOM 479 CA ASN A 60 8.489 9.202 -4.205 1.00 1.00 C ATOM 480 C ASN A 60 8.641 8.131 -5.286 1.00 1.00 C ATOM 481 O ASN A 60 9.660 7.444 -5.347 1.00 1.00 O ATOM 482 CB ASN A 60 7.757 8.574 -3.017 1.00 1.00 C ATOM 483 CG ASN A 60 7.915 9.432 -1.760 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.689 10.727 -1.957 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 8.222 8.948 -0.682 1.00 1.00 N flip ATOM 0 H ASN A 60 6.756 10.346 -4.488 1.00 1.00 H new ATOM 0 HA ASN A 60 9.461 9.569 -3.877 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.699 8.462 -3.255 1.00 1.00 H new ATOM 0 HB3 ASN A 60 8.149 7.574 -2.831 1.00 1.00 H new ATOM 0 HD21 ASN A 60 8.381 7.944 -0.601 1.00 1.00 H new ATOM 0 HD22 ASN A 60 8.319 9.548 0.137 1.00 1.00 H new ATOM 492 N GLY A 61 7.612 8.021 -6.114 1.00 1.00 N ATOM 493 CA GLY A 61 7.618 7.045 -7.191 1.00 1.00 C ATOM 494 C GLY A 61 7.111 5.687 -6.702 1.00 1.00 C ATOM 495 O GLY A 61 7.904 4.798 -6.396 1.00 1.00 O ATOM 0 H GLY A 61 6.768 8.592 -6.061 1.00 1.00 H new ATOM 0 HA2 GLY A 61 6.991 7.398 -8.010 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.629 6.939 -7.586 1.00 1.00 H new ATOM 499 N ILE A 62 5.793 5.569 -6.645 1.00 1.00 N ATOM 500 CA ILE A 62 5.170 4.335 -6.199 1.00 1.00 C ATOM 501 C ILE A 62 3.947 4.042 -7.069 1.00 1.00 C ATOM 502 O ILE A 62 2.830 3.941 -6.563 1.00 1.00 O ATOM 503 CB ILE A 62 4.858 4.402 -4.702 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.102 4.788 -3.900 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.244 3.090 -4.211 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.944 4.408 -2.426 1.00 1.00 C ATOM 0 H ILE A 62 5.139 6.309 -6.901 1.00 1.00 H new ATOM 0 HA ILE A 62 5.856 3.497 -6.321 1.00 1.00 H new ATOM 0 HB ILE A 62 4.116 5.184 -4.542 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.977 4.289 -4.316 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.276 5.861 -3.986 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.032 3.164 -3.144 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.318 2.897 -4.753 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.944 2.273 -4.386 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.842 4.693 -1.878 1.00 1.00 H new ATOM 0 HD12 ILE A 62 5.083 4.928 -2.007 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.794 3.332 -2.342 1.00 1.00 H new ATOM 518 N ARG A 63 4.198 3.914 -8.364 1.00 1.00 N ATOM 519 CA ARG A 63 3.131 3.634 -9.310 1.00 1.00 C ATOM 520 C ARG A 63 3.368 2.287 -9.995 1.00 1.00 C ATOM 521 O ARG A 63 3.452 2.217 -11.221 1.00 1.00 O ATOM 522 CB ARG A 63 3.036 4.731 -10.373 1.00 1.00 C ATOM 523 CG ARG A 63 3.443 6.089 -9.797 1.00 1.00 C ATOM 524 CD ARG A 63 4.858 6.469 -10.238 1.00 1.00 C ATOM 525 NE ARG A 63 4.888 6.698 -11.700 1.00 1.00 N ATOM 526 CZ ARG A 63 6.019 6.740 -12.436 1.00 1.00 C ATOM 527 NH1 ARG A 63 5.929 6.951 -13.736 1.00 1.00 N ATOM 528 NH2 ARG A 63 7.224 6.571 -11.852 1.00 1.00 N ATOM 0 H ARG A 63 5.125 3.999 -8.780 1.00 1.00 H new ATOM 0 HA ARG A 63 2.194 3.601 -8.754 1.00 1.00 H new ATOM 0 HB2 ARG A 63 3.680 4.482 -11.216 1.00 1.00 H new ATOM 0 HB3 ARG A 63 2.017 4.785 -10.755 1.00 1.00 H new ATOM 0 HG2 ARG A 63 2.738 6.853 -10.125 1.00 1.00 H new ATOM 0 HG3 ARG A 63 3.394 6.056 -8.709 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.182 7.368 -9.714 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.556 5.676 -9.971 1.00 1.00 H new ATOM 0 HE ARG A 63 3.999 6.832 -12.181 1.00 1.00 H new ATOM 0 HH11 ARG A 63 5.015 7.079 -14.170 1.00 1.00 H new ATOM 0 HH12 ARG A 63 6.774 6.986 -14.307 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.285 6.410 -10.847 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.073 6.604 -12.416 1.00 1.00 H new ATOM 538 N THR A 64 3.470 1.252 -9.175 1.00 1.00 N ATOM 539 CA THR A 64 3.697 -0.089 -9.688 1.00 1.00 C ATOM 540 C THR A 64 3.183 -1.133 -8.694 1.00 1.00 C ATOM 541 O THR A 64 3.189 -0.902 -7.486 1.00 1.00 O ATOM 542 CB THR A 64 5.187 -0.230 -10.001 1.00 1.00 C ATOM 543 OG1 THR A 64 5.835 0.185 -8.802 1.00 1.00 O ATOM 544 CG2 THR A 64 5.663 0.778 -11.050 1.00 1.00 C ATOM 0 H THR A 64 3.400 1.314 -8.159 1.00 1.00 H new ATOM 0 HA THR A 64 3.140 -0.260 -10.609 1.00 1.00 H new ATOM 0 HB THR A 64 5.390 -1.242 -10.352 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.517 0.856 -9.014 1.00 1.00 H new ATOM 0 HG21 THR A 64 6.728 0.635 -11.235 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.110 0.627 -11.977 1.00 1.00 H new ATOM 0 HG23 THR A 64 5.491 1.791 -10.686 1.00 1.00 H new ATOM 552 N VAL A 65 2.751 -2.260 -9.241 1.00 1.00 N ATOM 553 CA VAL A 65 2.235 -3.341 -8.417 1.00 1.00 C ATOM 554 C VAL A 65 3.339 -3.835 -7.481 1.00 1.00 C ATOM 555 O VAL A 65 3.160 -3.862 -6.264 1.00 1.00 O ATOM 556 CB VAL A 65 1.664 -4.449 -9.305 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.516 -5.756 -8.524 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.331 -4.024 -9.923 1.00 1.00 C ATOM 0 H VAL A 65 2.748 -2.448 -10.243 1.00 1.00 H new ATOM 0 HA VAL A 65 1.414 -2.987 -7.793 1.00 1.00 H new ATOM 0 HB VAL A 65 2.369 -4.624 -10.118 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.108 -6.527 -9.178 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.492 -6.072 -8.155 1.00 1.00 H new ATOM 0 HG13 VAL A 65 0.842 -5.602 -7.681 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -0.053 -4.829 -10.549 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.385 -3.808 -9.130 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.480 -3.131 -10.531 1.00 1.00 H new ATOM 568 N ARG A 66 4.457 -4.213 -8.083 1.00 1.00 N ATOM 569 CA ARG A 66 5.590 -4.704 -7.318 1.00 1.00 C ATOM 570 C ARG A 66 5.866 -3.783 -6.128 1.00 1.00 C ATOM 571 O ARG A 66 5.710 -4.187 -4.976 1.00 1.00 O ATOM 572 CB ARG A 66 6.845 -4.792 -8.188 1.00 1.00 C ATOM 573 CG ARG A 66 6.808 -6.035 -9.080 1.00 1.00 C ATOM 574 CD ARG A 66 8.169 -6.280 -9.735 1.00 1.00 C ATOM 575 NE ARG A 66 8.352 -7.726 -9.995 1.00 1.00 N ATOM 576 CZ ARG A 66 8.722 -8.623 -9.056 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.856 -9.890 -9.399 1.00 1.00 N ATOM 578 NH2 ARG A 66 8.952 -8.229 -7.785 1.00 1.00 N ATOM 0 H ARG A 66 4.602 -4.189 -9.092 1.00 1.00 H new ATOM 0 HA ARG A 66 5.340 -5.702 -6.959 1.00 1.00 H new ATOM 0 HB2 ARG A 66 6.926 -3.898 -8.807 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.731 -4.822 -7.553 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.524 -6.904 -8.487 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.047 -5.912 -9.850 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.238 -5.722 -10.669 1.00 1.00 H new ATOM 0 HD3 ARG A 66 8.965 -5.915 -9.086 1.00 1.00 H new ATOM 0 HE ARG A 66 8.188 -8.066 -10.943 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.681 -10.179 -10.361 1.00 1.00 H new ATOM 0 HH12 ARG A 66 9.135 -10.580 -8.702 1.00 1.00 H new ATOM 0 HH21 ARG A 66 8.847 -7.247 -7.528 1.00 1.00 H new ATOM 0 HH22 ARG A 66 9.231 -8.913 -7.082 1.00 1.00 H new ATOM 588 N ASP A 67 6.272 -2.563 -6.446 1.00 1.00 N ATOM 589 CA ASP A 67 6.571 -1.581 -5.418 1.00 1.00 C ATOM 590 C ASP A 67 5.579 -1.740 -4.264 1.00 1.00 C ATOM 591 O ASP A 67 5.947 -1.590 -3.099 1.00 1.00 O ATOM 592 CB ASP A 67 6.441 -0.157 -5.961 1.00 1.00 C ATOM 593 CG ASP A 67 7.677 0.373 -6.689 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.467 -0.399 -7.253 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.818 1.655 -6.663 1.00 1.00 O ATOM 0 H ASP A 67 6.401 -2.232 -7.402 1.00 1.00 H new ATOM 0 HA ASP A 67 7.595 -1.746 -5.082 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.592 -0.121 -6.644 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.212 0.512 -5.132 1.00 1.00 H new ATOM 601 N VAL A 68 4.341 -2.040 -4.627 1.00 1.00 N ATOM 602 CA VAL A 68 3.294 -2.221 -3.636 1.00 1.00 C ATOM 603 C VAL A 68 3.303 -3.671 -3.148 1.00 1.00 C ATOM 604 O VAL A 68 2.261 -4.323 -3.106 1.00 1.00 O ATOM 605 CB VAL A 68 1.944 -1.795 -4.218 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.816 -2.025 -3.210 1.00 1.00 C ATOM 607 CG2 VAL A 68 1.981 -0.336 -4.676 1.00 1.00 C ATOM 0 H VAL A 68 4.039 -2.162 -5.594 1.00 1.00 H new ATOM 0 HA VAL A 68 3.475 -1.586 -2.769 1.00 1.00 H new ATOM 0 HB VAL A 68 1.744 -2.415 -5.092 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.132 -1.714 -3.648 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.768 -3.083 -2.953 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.008 -1.442 -2.310 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.010 -0.058 -5.085 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.214 0.306 -3.827 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.746 -0.215 -5.443 1.00 1.00 H new ATOM 617 N ALA A 69 4.492 -4.133 -2.791 1.00 1.00 N ATOM 618 CA ALA A 69 4.652 -5.494 -2.307 1.00 1.00 C ATOM 619 C ALA A 69 5.985 -5.615 -1.567 1.00 1.00 C ATOM 620 O ALA A 69 6.055 -6.226 -0.502 1.00 1.00 O ATOM 621 CB ALA A 69 4.546 -6.469 -3.482 1.00 1.00 C ATOM 0 H ALA A 69 5.354 -3.589 -2.827 1.00 1.00 H new ATOM 0 HA ALA A 69 3.860 -5.746 -1.601 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.666 -7.490 -3.120 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.570 -6.364 -3.955 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.327 -6.248 -4.210 1.00 1.00 H new ATOM 627 N ALA A 70 7.011 -5.023 -2.161 1.00 1.00 N ATOM 628 CA ALA A 70 8.339 -5.057 -1.572 1.00 1.00 C ATOM 629 C ALA A 70 8.390 -4.092 -0.385 1.00 1.00 C ATOM 630 O ALA A 70 8.565 -4.482 0.767 1.00 1.00 O ATOM 631 CB ALA A 70 9.381 -4.723 -2.641 1.00 1.00 C ATOM 0 H ALA A 70 6.949 -4.517 -3.044 1.00 1.00 H new ATOM 0 HA ALA A 70 8.567 -6.054 -1.196 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.377 -4.749 -2.199 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.323 -5.455 -3.447 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.187 -3.727 -3.040 1.00 1.00 H new ATOM 637 N TYR A 71 8.230 -2.804 -0.699 1.00 1.00 N ATOM 638 CA TYR A 71 8.255 -1.765 0.311 1.00 1.00 C ATOM 639 C TYR A 71 7.407 -2.183 1.503 1.00 1.00 C ATOM 640 O TYR A 71 7.923 -2.208 2.620 1.00 1.00 O ATOM 641 CB TYR A 71 7.737 -0.461 -0.291 1.00 1.00 C ATOM 642 CG TYR A 71 8.828 0.539 -0.592 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.829 1.786 0.044 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.838 0.219 -1.508 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.841 2.713 -0.235 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.849 1.146 -1.786 1.00 1.00 C ATOM 647 CZ TYR A 71 10.851 2.393 -1.150 1.00 1.00 C ATOM 648 OH TYR A 71 11.836 3.296 -1.421 1.00 1.00 O ATOM 0 H TYR A 71 8.082 -2.464 -1.649 1.00 1.00 H new ATOM 0 HA TYR A 71 9.278 -1.611 0.655 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.196 -0.684 -1.211 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.022 -0.011 0.398 1.00 1.00 H new ATOM 0 HD1 TYR A 71 8.050 2.033 0.750 1.00 1.00 H new ATOM 0 HD2 TYR A 71 9.837 -0.743 -2.000 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.842 3.675 0.256 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.628 0.899 -2.492 1.00 1.00 H new ATOM 0 HH TYR A 71 12.457 2.915 -2.076 1.00 1.00 H new ATOM 658 N ILE A 72 6.145 -2.498 1.253 1.00 1.00 N ATOM 659 CA ILE A 72 5.250 -2.911 2.320 1.00 1.00 C ATOM 660 C ILE A 72 5.998 -3.844 3.274 1.00 1.00 C ATOM 661 O ILE A 72 5.773 -3.812 4.483 1.00 1.00 O ATOM 662 CB ILE A 72 3.971 -3.519 1.742 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.285 -4.747 0.887 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.167 -2.471 0.968 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.137 -5.757 0.934 1.00 1.00 C ATOM 0 H ILE A 72 5.721 -2.475 0.326 1.00 1.00 H new ATOM 0 HA ILE A 72 4.929 -2.048 2.903 1.00 1.00 H new ATOM 0 HB ILE A 72 3.348 -3.855 2.571 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.462 -4.441 -0.144 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.202 -5.217 1.242 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.263 -2.929 0.567 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.895 -1.655 1.637 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.771 -2.082 0.148 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.387 -6.620 0.317 1.00 1.00 H new ATOM 0 HD12 ILE A 72 2.978 -6.080 1.963 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.227 -5.292 0.555 1.00 1.00 H new ATOM 677 N ARG A 73 6.872 -4.653 2.695 1.00 1.00 N ATOM 678 CA ARG A 73 7.655 -5.594 3.479 1.00 1.00 C ATOM 679 C ARG A 73 8.475 -4.851 4.536 1.00 1.00 C ATOM 680 O ARG A 73 8.254 -5.025 5.733 1.00 1.00 O ATOM 681 CB ARG A 73 8.598 -6.403 2.587 1.00 1.00 C ATOM 682 CG ARG A 73 8.886 -7.777 3.197 1.00 1.00 C ATOM 683 CD ARG A 73 9.902 -7.669 4.336 1.00 1.00 C ATOM 684 NE ARG A 73 11.139 -8.400 3.981 1.00 1.00 N ATOM 685 CZ ARG A 73 12.336 -8.192 4.570 1.00 1.00 C ATOM 686 NH1 ARG A 73 13.376 -8.902 4.174 1.00 1.00 N ATOM 687 NH2 ARG A 73 12.467 -7.271 5.548 1.00 1.00 N ATOM 0 H ARG A 73 7.056 -4.677 1.692 1.00 1.00 H new ATOM 0 HA ARG A 73 6.960 -6.277 3.968 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.154 -6.526 1.599 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.532 -5.858 2.451 1.00 1.00 H new ATOM 0 HG2 ARG A 73 7.960 -8.214 3.571 1.00 1.00 H new ATOM 0 HG3 ARG A 73 9.267 -8.448 2.427 1.00 1.00 H new ATOM 0 HD2 ARG A 73 10.132 -6.622 4.531 1.00 1.00 H new ATOM 0 HD3 ARG A 73 9.478 -8.079 5.253 1.00 1.00 H new ATOM 0 HE ARG A 73 11.084 -9.105 3.246 1.00 1.00 H new ATOM 0 HH11 ARG A 73 13.268 -9.595 3.434 1.00 1.00 H new ATOM 0 HH12 ARG A 73 14.287 -8.757 4.608 1.00 1.00 H new ATOM 0 HH21 ARG A 73 11.658 -6.726 5.847 1.00 1.00 H new ATOM 0 HH22 ARG A 73 13.375 -7.120 5.988 1.00 1.00 H new ATOM 697 N ASN A 74 9.405 -4.039 4.054 1.00 1.00 N ATOM 698 CA ASN A 74 10.259 -3.270 4.943 1.00 1.00 C ATOM 699 C ASN A 74 10.170 -1.788 4.571 1.00 1.00 C ATOM 700 O ASN A 74 11.086 -1.203 3.998 1.00 1.00 O ATOM 701 CB ASN A 74 11.720 -3.703 4.813 1.00 1.00 C ATOM 702 CG ASN A 74 12.493 -3.416 6.102 1.00 1.00 C ATOM 703 OD1 ASN A 74 13.411 -2.613 6.141 1.00 1.00 O ATOM 704 ND2 ASN A 74 12.072 -4.116 7.152 1.00 1.00 N ATOM 0 H ASN A 74 9.585 -3.897 3.060 1.00 1.00 H new ATOM 0 HA ASN A 74 9.922 -3.440 5.966 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.769 -4.768 4.585 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.186 -3.177 3.980 1.00 1.00 H new ATOM 0 HD21 ASN A 74 12.524 -3.997 8.059 1.00 1.00 H new ATOM 0 HD22 ASN A 74 11.298 -4.772 7.050 1.00 1.00 H new ATOM 711 N PRO A 75 9.029 -1.187 4.917 1.00 1.00 N ATOM 712 CA PRO A 75 8.733 0.207 4.665 1.00 1.00 C ATOM 713 C PRO A 75 9.396 1.070 5.729 1.00 1.00 C ATOM 714 O PRO A 75 9.978 0.520 6.662 1.00 1.00 O ATOM 715 CB PRO A 75 7.211 0.305 4.752 1.00 1.00 C ATOM 716 CG PRO A 75 6.840 -0.782 5.698 1.00 1.00 C ATOM 717 CD PRO A 75 7.931 -1.844 5.593 1.00 1.00 C ATOM 0 HA PRO A 75 9.103 0.552 3.699 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.893 1.281 5.119 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.744 0.164 3.777 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.767 -0.401 6.717 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.866 -1.201 5.444 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.231 -2.201 6.578 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.584 -2.712 5.032 1.00 1.00 H new ATOM 725 N GLY A 76 9.302 2.382 5.572 1.00 1.00 N ATOM 726 CA GLY A 76 9.902 3.296 6.530 1.00 1.00 C ATOM 727 C GLY A 76 8.983 3.508 7.735 1.00 1.00 C ATOM 728 O GLY A 76 7.960 2.848 7.900 1.00 1.00 O ATOM 0 H GLY A 76 8.819 2.834 4.796 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.861 2.900 6.865 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.103 4.253 6.048 1.00 1.00 H new ATOM 732 N PRO A 77 9.378 4.459 8.585 1.00 1.00 N ATOM 733 CA PRO A 77 8.662 4.828 9.787 1.00 1.00 C ATOM 734 C PRO A 77 7.282 5.353 9.418 1.00 1.00 C ATOM 735 O PRO A 77 7.107 5.829 8.297 1.00 1.00 O ATOM 736 CB PRO A 77 9.511 5.923 10.428 1.00 1.00 C ATOM 737 CG PRO A 77 10.380 6.456 9.343 1.00 1.00 C ATOM 738 CD PRO A 77 10.575 5.255 8.421 1.00 1.00 C ATOM 0 HA PRO A 77 8.512 3.989 10.466 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.883 6.709 10.846 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.110 5.524 11.247 1.00 1.00 H new ATOM 0 HG2 PRO A 77 9.907 7.289 8.823 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.330 6.821 9.733 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.701 5.569 7.385 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.466 4.689 8.693 1.00 1.00 H new ATOM 746 N GLY A 78 6.342 5.258 10.347 1.00 1.00 N ATOM 747 CA GLY A 78 4.991 5.728 10.096 1.00 1.00 C ATOM 748 C GLY A 78 4.089 4.582 9.633 1.00 1.00 C ATOM 749 O GLY A 78 2.899 4.559 9.945 1.00 1.00 O ATOM 0 H GLY A 78 6.490 4.862 11.275 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.583 6.173 11.003 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.009 6.510 9.337 1.00 1.00 H new ATOM 753 N MET A 79 4.690 3.660 8.896 1.00 1.00 N ATOM 754 CA MET A 79 3.956 2.514 8.386 1.00 1.00 C ATOM 755 C MET A 79 4.554 1.205 8.906 1.00 1.00 C ATOM 756 O MET A 79 5.756 0.961 8.830 1.00 1.00 O ATOM 757 CB MET A 79 3.994 2.522 6.857 1.00 1.00 C ATOM 758 CG MET A 79 2.775 1.803 6.274 1.00 1.00 C ATOM 759 SD MET A 79 2.544 2.277 4.569 1.00 1.00 S ATOM 760 CE MET A 79 3.076 0.780 3.756 1.00 1.00 C ATOM 0 H MET A 79 5.677 3.683 8.640 1.00 1.00 H new ATOM 0 HA MET A 79 2.925 2.583 8.732 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.021 3.550 6.496 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.907 2.038 6.510 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.911 0.724 6.345 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.885 2.051 6.853 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.995 0.904 2.676 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.112 0.571 4.021 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.446 -0.050 4.074 1.00 1.00 H new ATOM 770 N PRO A 80 3.674 0.356 9.442 1.00 1.00 N ATOM 771 CA PRO A 80 4.018 -0.937 9.992 1.00 1.00 C ATOM 772 C PRO A 80 4.791 -1.742 8.957 1.00 1.00 C ATOM 773 O PRO A 80 5.553 -1.152 8.193 1.00 1.00 O ATOM 774 CB PRO A 80 2.679 -1.597 10.311 1.00 1.00 C ATOM 775 CG PRO A 80 1.719 -0.500 10.449 1.00 1.00 C ATOM 776 CD PRO A 80 2.253 0.611 9.547 1.00 1.00 C ATOM 0 HA PRO A 80 4.650 -0.867 10.878 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.380 -2.281 9.516 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.740 -2.182 11.229 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.720 -0.810 10.144 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.647 -0.167 11.484 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.774 0.589 8.568 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.059 1.595 9.975 1.00 1.00 H new ATOM 784 N ALA A 81 4.586 -3.052 8.950 1.00 1.00 N ATOM 785 CA ALA A 81 5.275 -3.911 8.003 1.00 1.00 C ATOM 786 C ALA A 81 4.463 -5.192 7.799 1.00 1.00 C ATOM 787 O ALA A 81 3.640 -5.550 8.640 1.00 1.00 O ATOM 788 CB ALA A 81 6.692 -4.193 8.506 1.00 1.00 C ATOM 0 H ALA A 81 3.953 -3.538 9.585 1.00 1.00 H new ATOM 0 HA ALA A 81 5.365 -3.420 7.034 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.209 -4.838 7.795 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.236 -3.254 8.606 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.642 -4.689 9.475 1.00 1.00 H new ATOM 794 N PHE A 82 4.723 -5.847 6.677 1.00 1.00 N ATOM 795 CA PHE A 82 4.027 -7.081 6.352 1.00 1.00 C ATOM 796 C PHE A 82 4.965 -8.077 5.669 1.00 1.00 C ATOM 797 O PHE A 82 5.236 -7.963 4.475 1.00 1.00 O ATOM 798 CB PHE A 82 2.899 -6.716 5.385 1.00 1.00 C ATOM 799 CG PHE A 82 1.959 -5.628 5.907 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.871 -5.967 6.649 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.211 -4.320 5.629 1.00 1.00 C ATOM 802 CE1 PHE A 82 -0.002 -4.957 7.134 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.338 -3.310 6.114 1.00 1.00 C ATOM 804 CZ PHE A 82 0.250 -3.650 6.856 1.00 1.00 C ATOM 0 H PHE A 82 5.406 -5.547 5.981 1.00 1.00 H new ATOM 0 HA PHE A 82 3.649 -7.546 7.263 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.335 -6.383 4.443 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.317 -7.611 5.168 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.671 -7.005 6.870 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.075 -4.050 5.040 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.866 -5.227 7.723 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.538 -2.272 5.894 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.414 -2.882 7.224 1.00 1.00 H new ATOM 814 N GLY A 83 5.437 -9.033 6.457 1.00 1.00 N ATOM 815 CA GLY A 83 6.340 -10.048 5.944 1.00 1.00 C ATOM 816 C GLY A 83 5.575 -11.313 5.550 1.00 1.00 C ATOM 817 O GLY A 83 4.346 -11.310 5.501 1.00 1.00 O ATOM 0 H GLY A 83 5.210 -9.125 7.447 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.877 -9.659 5.079 1.00 1.00 H new ATOM 0 HA3 GLY A 83 7.087 -10.291 6.700 1.00 1.00 H new ATOM 821 N GLU A 84 6.334 -12.365 5.279 1.00 1.00 N ATOM 822 CA GLU A 84 5.742 -13.634 4.891 1.00 1.00 C ATOM 823 C GLU A 84 5.128 -14.328 6.108 1.00 1.00 C ATOM 824 O GLU A 84 4.573 -15.420 5.990 1.00 1.00 O ATOM 825 CB GLU A 84 6.775 -14.535 4.210 1.00 1.00 C ATOM 826 CG GLU A 84 7.835 -15.005 5.208 1.00 1.00 C ATOM 827 CD GLU A 84 8.100 -16.505 5.061 1.00 1.00 C ATOM 828 OE1 GLU A 84 7.572 -17.307 5.845 1.00 1.00 O ATOM 829 OE2 GLU A 84 8.885 -16.827 4.089 1.00 1.00 O ATOM 0 H GLU A 84 7.353 -12.364 5.320 1.00 1.00 H new ATOM 0 HA GLU A 84 4.948 -13.437 4.171 1.00 1.00 H new ATOM 0 HB2 GLU A 84 6.276 -15.399 3.770 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.253 -13.994 3.394 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.760 -14.451 5.049 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.505 -14.788 6.224 1.00 1.00 H new ATOM 837 N ALA A 85 5.247 -13.666 7.249 1.00 1.00 N ATOM 838 CA ALA A 85 4.710 -14.205 8.487 1.00 1.00 C ATOM 839 C ALA A 85 3.191 -14.342 8.362 1.00 1.00 C ATOM 840 O ALA A 85 2.616 -15.338 8.798 1.00 1.00 O ATOM 841 CB ALA A 85 5.121 -13.308 9.656 1.00 1.00 C ATOM 0 H ALA A 85 5.708 -12.761 7.342 1.00 1.00 H new ATOM 0 HA ALA A 85 5.116 -15.198 8.681 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.718 -13.713 10.584 1.00 1.00 H new ATOM 0 HB2 ALA A 85 6.208 -13.268 9.719 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.730 -12.303 9.498 1.00 1.00 H new ATOM 847 N MET A 86 2.585 -13.326 7.766 1.00 1.00 N ATOM 848 CA MET A 86 1.144 -13.319 7.578 1.00 1.00 C ATOM 849 C MET A 86 0.785 -13.305 6.091 1.00 1.00 C ATOM 850 O MET A 86 0.044 -14.166 5.620 1.00 1.00 O ATOM 851 CB MET A 86 0.546 -12.088 8.261 1.00 1.00 C ATOM 852 CG MET A 86 -0.953 -12.270 8.505 1.00 1.00 C ATOM 853 SD MET A 86 -1.554 -10.993 9.597 1.00 1.00 S ATOM 854 CE MET A 86 -0.849 -11.547 11.140 1.00 1.00 C ATOM 0 H MET A 86 3.066 -12.501 7.407 1.00 1.00 H new ATOM 0 HA MET A 86 0.734 -14.226 8.022 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.054 -11.911 9.209 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.713 -11.207 7.641 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.491 -12.233 7.558 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.142 -13.251 8.941 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.445 -11.167 11.970 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.843 -12.637 11.167 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.172 -11.176 11.228 1.00 1.00 H new ATOM 864 N ILE A 87 1.327 -12.317 5.394 1.00 1.00 N ATOM 865 CA ILE A 87 1.072 -12.179 3.970 1.00 1.00 C ATOM 866 C ILE A 87 2.388 -12.329 3.205 1.00 1.00 C ATOM 867 O ILE A 87 3.321 -11.542 3.349 1.00 1.00 O ATOM 868 CB ILE A 87 0.340 -10.867 3.682 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.895 -10.721 4.574 1.00 1.00 C ATOM 870 CG2 ILE A 87 -0.009 -10.749 2.197 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.933 -9.801 3.927 1.00 1.00 C ATOM 0 H ILE A 87 1.941 -11.605 5.789 1.00 1.00 H new ATOM 0 HA ILE A 87 0.408 -12.971 3.623 1.00 1.00 H new ATOM 0 HB ILE A 87 1.010 -10.042 3.922 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.335 -11.702 4.755 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.602 -10.319 5.544 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.529 -9.808 2.019 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.906 -10.776 1.605 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.653 -11.579 1.908 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.800 -9.714 4.581 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.497 -8.814 3.770 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.242 -10.218 2.968 1.00 1.00 H new ATOM 883 N PRO A 88 2.442 -13.374 2.375 1.00 1.00 N ATOM 884 CA PRO A 88 3.586 -13.705 1.553 1.00 1.00 C ATOM 885 C PRO A 88 3.690 -12.717 0.400 1.00 1.00 C ATOM 886 O PRO A 88 2.678 -12.210 -0.078 1.00 1.00 O ATOM 887 CB PRO A 88 3.306 -15.116 1.041 1.00 1.00 C ATOM 888 CG PRO A 88 1.826 -15.213 1.033 1.00 1.00 C ATOM 889 CD PRO A 88 1.364 -14.319 2.181 1.00 1.00 C ATOM 0 HA PRO A 88 4.528 -13.657 2.099 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.720 -15.268 0.044 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.751 -15.871 1.689 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.414 -14.878 0.081 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.497 -16.242 1.178 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.432 -13.810 1.935 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.181 -14.900 3.085 1.00 1.00 H new ATOM 897 N PRO A 89 4.918 -12.443 -0.045 1.00 1.00 N ATOM 898 CA PRO A 89 5.208 -11.531 -1.130 1.00 1.00 C ATOM 899 C PRO A 89 4.359 -11.891 -2.341 1.00 1.00 C ATOM 900 O PRO A 89 3.862 -10.986 -3.008 1.00 1.00 O ATOM 901 CB PRO A 89 6.693 -11.731 -1.424 1.00 1.00 C ATOM 902 CG PRO A 89 7.121 -13.013 -0.668 1.00 1.00 C ATOM 903 CD PRO A 89 6.130 -13.022 0.494 1.00 1.00 C ATOM 0 HA PRO A 89 4.985 -10.493 -0.882 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.866 -11.836 -2.495 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.274 -10.871 -1.090 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.034 -13.905 -1.289 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.155 -12.962 -0.326 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.956 -14.035 0.857 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.504 -12.441 1.337 1.00 1.00 H new ATOM 911 N ALA A 90 4.212 -13.182 -2.600 1.00 1.00 N ATOM 912 CA ALA A 90 3.422 -13.633 -3.733 1.00 1.00 C ATOM 913 C ALA A 90 1.959 -13.240 -3.519 1.00 1.00 C ATOM 914 O ALA A 90 1.198 -13.122 -4.477 1.00 1.00 O ATOM 915 CB ALA A 90 3.600 -15.142 -3.912 1.00 1.00 C ATOM 0 H ALA A 90 4.627 -13.930 -2.044 1.00 1.00 H new ATOM 0 HA ALA A 90 3.761 -13.154 -4.651 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.007 -15.480 -4.762 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.652 -15.366 -4.091 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.268 -15.657 -3.010 1.00 1.00 H new ATOM 921 N ASP A 91 1.611 -13.047 -2.255 1.00 1.00 N ATOM 922 CA ASP A 91 0.253 -12.670 -1.903 1.00 1.00 C ATOM 923 C ASP A 91 0.155 -11.145 -1.829 1.00 1.00 C ATOM 924 O ASP A 91 -0.937 -10.595 -1.687 1.00 1.00 O ATOM 925 CB ASP A 91 -0.139 -13.235 -0.536 1.00 1.00 C ATOM 926 CG ASP A 91 -0.444 -14.734 -0.519 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.354 -15.193 0.186 1.00 1.00 O ATOM 928 OD2 ASP A 91 0.310 -15.452 -1.281 1.00 1.00 O ATOM 0 H ASP A 91 2.246 -13.145 -1.463 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.416 -13.071 -2.664 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.669 -13.036 0.168 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -1.016 -12.697 -0.175 1.00 1.00 H new ATOM 934 N ALA A 92 1.310 -10.504 -1.929 1.00 1.00 N ATOM 935 CA ALA A 92 1.368 -9.053 -1.876 1.00 1.00 C ATOM 936 C ALA A 92 1.242 -8.490 -3.293 1.00 1.00 C ATOM 937 O ALA A 92 0.797 -7.358 -3.478 1.00 1.00 O ATOM 938 CB ALA A 92 2.665 -8.619 -1.190 1.00 1.00 C ATOM 0 H ALA A 92 2.213 -10.963 -2.046 1.00 1.00 H new ATOM 0 HA ALA A 92 0.540 -8.657 -1.289 1.00 1.00 H new ATOM 0 HB1 ALA A 92 2.709 -7.531 -1.150 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.693 -9.021 -0.177 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.518 -8.996 -1.753 1.00 1.00 H new ATOM 944 N LEU A 93 1.642 -9.305 -4.258 1.00 1.00 N ATOM 945 CA LEU A 93 1.579 -8.903 -5.653 1.00 1.00 C ATOM 946 C LEU A 93 0.116 -8.717 -6.060 1.00 1.00 C ATOM 947 O LEU A 93 -0.177 -8.047 -7.049 1.00 1.00 O ATOM 948 CB LEU A 93 2.341 -9.896 -6.532 1.00 1.00 C ATOM 949 CG LEU A 93 3.859 -9.928 -6.346 1.00 1.00 C ATOM 950 CD1 LEU A 93 4.471 -11.145 -7.043 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.497 -8.618 -6.814 1.00 1.00 C ATOM 0 H LEU A 93 2.011 -10.243 -4.101 1.00 1.00 H new ATOM 0 HA LEU A 93 2.074 -7.943 -5.795 1.00 1.00 H new ATOM 0 HB2 LEU A 93 1.950 -10.895 -6.340 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.127 -9.665 -7.576 1.00 1.00 H new ATOM 0 HG LEU A 93 4.071 -10.026 -5.281 1.00 1.00 H new ATOM 0 HD11 LEU A 93 5.551 -11.144 -6.895 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.048 -12.057 -6.621 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.251 -11.102 -8.110 1.00 1.00 H new ATOM 0 HD21 LEU A 93 5.576 -8.667 -6.671 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.278 -8.464 -7.871 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.092 -7.789 -6.235 1.00 1.00 H new ATOM 963 N LYS A 94 -0.765 -9.324 -5.277 1.00 1.00 N ATOM 964 CA LYS A 94 -2.190 -9.234 -5.544 1.00 1.00 C ATOM 965 C LYS A 94 -2.739 -7.944 -4.933 1.00 1.00 C ATOM 966 O LYS A 94 -3.782 -7.447 -5.356 1.00 1.00 O ATOM 967 CB LYS A 94 -2.906 -10.497 -5.060 1.00 1.00 C ATOM 968 CG LYS A 94 -2.778 -10.652 -3.543 1.00 1.00 C ATOM 969 CD LYS A 94 -4.140 -10.934 -2.904 1.00 1.00 C ATOM 970 CE LYS A 94 -4.243 -12.393 -2.455 1.00 1.00 C ATOM 971 NZ LYS A 94 -3.201 -12.701 -1.451 1.00 1.00 N ATOM 0 H LYS A 94 -0.519 -9.880 -4.458 1.00 1.00 H new ATOM 0 HA LYS A 94 -2.374 -9.182 -6.617 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -3.959 -10.451 -5.337 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.484 -11.371 -5.555 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -2.089 -11.465 -3.314 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -2.353 -9.744 -3.116 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -4.288 -10.275 -2.048 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -4.934 -10.712 -3.618 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -5.230 -12.581 -2.033 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.134 -13.053 -3.316 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -2.449 -13.267 -1.894 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -2.798 -11.815 -1.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -3.623 -13.238 -0.667 1.00 1.00 H new ATOM 984 N ILE A 95 -2.012 -7.437 -3.948 1.00 1.00 N ATOM 985 CA ILE A 95 -2.412 -6.213 -3.275 1.00 1.00 C ATOM 986 C ILE A 95 -2.111 -5.016 -4.179 1.00 1.00 C ATOM 987 O ILE A 95 -2.925 -4.102 -4.296 1.00 1.00 O ATOM 988 CB ILE A 95 -1.758 -6.122 -1.895 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.911 -7.436 -1.127 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.305 -4.930 -1.107 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.319 -7.569 -0.543 1.00 1.00 C ATOM 0 H ILE A 95 -1.148 -7.852 -3.600 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.487 -6.212 -3.093 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.690 -5.954 -2.034 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.708 -8.276 -1.792 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.175 -7.480 -0.324 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.824 -4.888 -0.130 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.100 -4.009 -1.652 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.381 -5.043 -0.977 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.401 -8.512 -0.002 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.509 -6.741 0.140 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.051 -7.549 -1.350 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.939 -5.061 -4.796 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.520 -3.992 -5.686 1.00 1.00 C ATOM 1005 C GLY A 96 -1.588 -3.709 -6.744 1.00 1.00 C ATOM 1006 O GLY A 96 -1.664 -2.602 -7.274 1.00 1.00 O ATOM 0 H GLY A 96 -0.266 -5.821 -4.697 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.327 -3.088 -5.108 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.416 -4.265 -6.173 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.387 -4.730 -7.019 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.448 -4.605 -8.005 1.00 1.00 C ATOM 1012 C GLU A 97 -4.561 -3.698 -7.475 1.00 1.00 C ATOM 1013 O GLU A 97 -4.974 -2.731 -8.111 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.999 -5.978 -8.394 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.871 -7.003 -8.529 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.351 -8.252 -9.270 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.839 -9.200 -8.637 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.204 -8.217 -10.551 1.00 1.00 O ATOM 0 H GLU A 97 -2.321 -5.647 -6.577 1.00 1.00 H new ATOM 0 HA GLU A 97 -3.031 -4.149 -8.903 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.712 -6.314 -7.642 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.541 -5.903 -9.336 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -2.032 -6.558 -9.065 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.506 -7.280 -7.540 1.00 1.00 H new ATOM 1026 N TYR A 98 -5.043 -4.037 -6.277 1.00 1.00 N ATOM 1027 CA TYR A 98 -6.101 -3.281 -5.638 1.00 1.00 C ATOM 1028 C TYR A 98 -5.773 -1.795 -5.685 1.00 1.00 C ATOM 1029 O TYR A 98 -6.697 -0.983 -5.687 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.262 -3.754 -4.196 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.396 -3.076 -3.464 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.122 -2.088 -2.511 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.721 -3.437 -3.737 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.172 -1.460 -1.832 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.771 -2.809 -3.058 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.497 -1.820 -2.105 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.521 -1.208 -1.444 1.00 1.00 O ATOM 0 H TYR A 98 -4.710 -4.835 -5.735 1.00 1.00 H new ATOM 0 HA TYR A 98 -7.040 -3.442 -6.167 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.429 -4.831 -4.192 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.332 -3.574 -3.657 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.100 -1.810 -2.300 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.933 -4.200 -4.471 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.960 -0.697 -1.097 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.793 -3.087 -3.269 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.376 -1.575 -1.753 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.489 -1.471 -5.721 1.00 1.00 N ATOM 1048 CA VAL A 99 -4.069 -0.081 -5.768 1.00 1.00 C ATOM 1049 C VAL A 99 -3.792 0.315 -7.219 1.00 1.00 C ATOM 1050 O VAL A 99 -2.924 1.146 -7.485 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.864 0.132 -4.850 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.295 1.544 -5.010 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.229 -0.149 -3.391 1.00 1.00 C ATOM 0 H VAL A 99 -3.726 -2.147 -5.719 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.861 0.570 -5.399 1.00 1.00 H new ATOM 0 HB VAL A 99 -2.090 -0.577 -5.144 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.439 1.669 -4.346 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.978 1.694 -6.042 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -3.061 2.276 -4.756 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.354 0.010 -2.760 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -4.028 0.524 -3.080 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.565 -1.181 -3.292 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.546 -0.297 -8.121 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.392 -0.019 -9.538 1.00 1.00 C ATOM 1065 C VAL A 100 -5.774 0.055 -10.192 1.00 1.00 C ATOM 1066 O VAL A 100 -5.888 0.033 -11.416 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.482 -1.066 -10.182 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.456 -0.910 -11.704 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -2.069 -0.996 -9.600 1.00 1.00 C ATOM 0 H VAL A 100 -5.265 -0.985 -7.897 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.909 0.947 -9.687 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.891 -2.050 -9.954 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.801 -1.667 -12.136 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.464 -1.033 -12.100 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -3.084 0.082 -11.962 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.442 -1.751 -10.075 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.649 -0.007 -9.783 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -2.108 -1.180 -8.526 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.790 0.140 -9.345 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.159 0.217 -9.825 1.00 1.00 C ATOM 1081 C ALA A 101 -8.880 1.365 -9.116 1.00 1.00 C ATOM 1082 O ALA A 101 -9.911 1.156 -8.477 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.853 -1.130 -9.607 1.00 1.00 C ATOM 0 H ALA A 101 -6.692 0.157 -8.330 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.179 0.425 -10.895 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.880 -1.073 -9.967 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.320 -1.907 -10.155 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.854 -1.371 -8.544 1.00 1.00 H new ATOM 1089 N SER A 102 -8.309 2.553 -9.251 1.00 1.00 N ATOM 1090 CA SER A 102 -8.884 3.734 -8.631 1.00 1.00 C ATOM 1091 C SER A 102 -7.936 4.924 -8.793 1.00 1.00 C ATOM 1092 O SER A 102 -8.381 6.062 -8.938 1.00 1.00 O ATOM 1093 CB SER A 102 -9.182 3.490 -7.150 1.00 1.00 C ATOM 1094 OG SER A 102 -8.353 2.469 -6.601 1.00 1.00 O ATOM 0 H SER A 102 -7.454 2.723 -9.781 1.00 1.00 H new ATOM 0 HA SER A 102 -9.827 3.958 -9.131 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.035 4.415 -6.593 1.00 1.00 H new ATOM 0 HB3 SER A 102 -10.229 3.210 -7.032 1.00 1.00 H new ATOM 0 HG SER A 102 -7.653 2.877 -6.049 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.647 4.621 -8.763 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.632 5.651 -8.904 1.00 1.00 C ATOM 1102 C PHE A 103 -4.243 5.033 -9.077 1.00 1.00 C ATOM 1103 O PHE A 103 -3.418 5.017 -8.167 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.652 6.479 -7.618 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.092 5.694 -6.380 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.583 4.455 -6.144 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.992 6.235 -5.516 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.991 3.727 -4.995 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.400 5.507 -4.367 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.891 4.268 -4.131 1.00 1.00 C ATOM 0 H PHE A 103 -6.282 3.676 -8.643 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.841 6.260 -9.783 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.655 6.885 -7.443 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.322 7.328 -7.755 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.869 4.025 -6.830 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.397 7.219 -5.704 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.586 2.743 -4.807 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.114 5.937 -3.681 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.202 3.714 -3.258 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.002 4.517 -10.285 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.757 3.886 -10.668 1.00 1.00 C ATOM 1122 C PRO A 104 -1.778 4.943 -11.157 1.00 1.00 C ATOM 1123 O PRO A 104 -0.792 4.621 -11.816 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.135 2.926 -11.794 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.343 3.588 -12.426 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.949 4.518 -11.378 1.00 1.00 C ATOM 0 HA PRO A 104 -2.274 3.364 -9.842 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.322 2.806 -12.510 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -3.374 1.933 -11.413 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -4.053 4.148 -13.315 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -5.070 2.840 -12.743 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.091 5.523 -11.776 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.927 4.163 -11.053 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.401 2.790 4.200 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.726 5.638 2.816 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.221 1.408 0.929 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.974 -0.162 5.382 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.205 4.242 7.227 1.00 1.00 C HETATM 1140 NA HEC A 201 0.910 3.376 2.266 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.378 4.632 1.921 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.459 4.759 0.485 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.042 3.588 -0.041 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.700 2.724 1.064 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.938 3.211 -1.491 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.925 5.985 -0.244 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.437 6.187 -0.215 1.00 1.00 C HETATM 1148 CGA HEC A 201 4.153 4.909 0.198 1.00 1.00 C HETATM 1149 O1A HEC A 201 3.748 3.842 -0.312 1.00 1.00 O HETATM 1150 O2A HEC A 201 5.091 5.023 1.016 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.255 0.998 3.314 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.221 0.617 1.984 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.713 -0.733 1.837 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.045 -1.171 3.070 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.762 -0.097 3.993 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.817 -1.471 0.534 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.604 -2.509 3.455 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.806 -3.694 2.917 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.183 2.137 5.980 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.782 0.937 6.321 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.253 0.983 7.686 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.942 2.203 8.172 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.276 2.925 7.114 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.952 -0.143 8.391 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.217 2.749 9.543 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.751 1.841 10.677 1.00 1.00 C HETATM 1167 ND HEC A 201 0.788 4.591 4.855 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.791 4.960 6.189 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.495 6.208 6.363 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.918 6.598 5.141 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.480 5.595 4.200 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.695 6.906 7.676 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.697 7.830 4.783 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.170 7.568 4.485 1.00 1.00 C HETATM 1175 CGD HEC A 201 5.067 8.269 5.496 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.992 8.975 5.040 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.810 8.087 6.705 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.725 7.146 8.112 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.246 6.255 8.354 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.259 7.825 7.517 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.869 -0.393 7.857 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.299 -1.015 8.420 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.196 0.161 9.409 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.479 -0.928 -0.140 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.172 -1.554 0.083 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.219 -2.468 0.712 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.251 3.891 -1.995 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.922 3.278 -1.956 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.566 2.190 -1.576 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.363 6.495 4.505 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.408 7.916 3.480 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.260 0.880 10.606 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.326 1.688 10.602 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.985 2.306 11.635 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.787 -3.655 1.828 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.214 -3.650 3.300 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.274 -4.624 3.239 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.784 6.500 -1.200 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.687 6.988 0.480 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.238 8.297 3.912 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.624 8.544 5.603 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.597 5.925 -1.282 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.443 6.860 0.193 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.112 4.734 8.195 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.310 -1.115 5.791 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.194 0.978 -0.072 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.224 6.522 2.417 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.572 8.378 7.249 1.00 1.00 H new HETATM 0 H2A HEC A 201 5.470 4.139 1.205 1.00 1.00 H new