USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot -30:sc= -1.21 USER MOD Set 2.2: A 31 MET CE :methyl -155:sc= 0 (180deg=-0.327) USER MOD Single : A 0 THR OG1 : rot -72:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 20:sc= 0.00056 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ 180:sc= -0.0871 (180deg=-0.0871) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 163:sc= -0.0631 (180deg=-0.449) USER MOD Single : A 18 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.017) USER MOD Single : A 22 SER OG : rot -33:sc= 0.301 USER MOD Single : A 24 MET CE :methyl -160:sc= -0.123 (180deg=-0.679) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 6:sc= -2.27! USER MOD Single : A 45 ASN : amide:sc= -0.0748 K(o=-0.075,f=-2.4!) USER MOD Single : A 52 SER OG : rot 120:sc= -0.38 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0396 (180deg=-0.237) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0.437 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 163:sc= -2.71 (180deg=-3.5!) USER MOD Single : A 81 TYR OH : rot -164:sc= 0.809 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 19.422 -8.631 -10.970 1.00 1.00 N ATOM 2 CA GLY A -5 19.811 -7.264 -10.548 1.00 1.00 C ATOM 3 C GLY A -5 18.633 -6.470 -10.027 1.00 1.00 C ATOM 4 O GLY A -5 18.104 -5.597 -10.721 1.00 1.00 O ATOM 0 H1 GLY A -5 20.260 -9.138 -11.320 1.00 1.00 H new ATOM 0 H2 GLY A -5 19.020 -9.144 -10.159 1.00 1.00 H new ATOM 0 H3 GLY A -5 18.712 -8.572 -11.728 1.00 1.00 H new ATOM 0 HA2 GLY A -5 20.575 -7.328 -9.773 1.00 1.00 H new ATOM 0 HA3 GLY A -5 20.257 -6.738 -11.392 1.00 1.00 H new ATOM 10 N ILE A -4 18.210 -6.781 -8.809 1.00 1.00 N ATOM 11 CA ILE A -4 17.111 -6.073 -8.166 1.00 1.00 C ATOM 12 C ILE A -4 17.572 -5.559 -6.807 1.00 1.00 C ATOM 13 O ILE A -4 18.122 -6.316 -6.006 1.00 1.00 O ATOM 14 CB ILE A -4 15.850 -6.967 -7.975 1.00 1.00 C ATOM 15 CG1 ILE A -4 15.219 -7.355 -9.321 1.00 1.00 C ATOM 16 CG2 ILE A -4 14.815 -6.262 -7.106 1.00 1.00 C ATOM 17 CD1 ILE A -4 15.892 -8.524 -10.011 1.00 1.00 C ATOM 0 H ILE A -4 18.616 -7.526 -8.242 1.00 1.00 H new ATOM 0 HA ILE A -4 16.829 -5.248 -8.820 1.00 1.00 H new ATOM 0 HB ILE A -4 16.176 -7.880 -7.476 1.00 1.00 H new ATOM 0 HG12 ILE A -4 14.169 -7.599 -9.160 1.00 1.00 H new ATOM 0 HG13 ILE A -4 15.247 -6.491 -9.985 1.00 1.00 H new ATOM 0 HG21 ILE A -4 13.943 -6.904 -6.986 1.00 1.00 H new ATOM 0 HG22 ILE A -4 15.246 -6.048 -6.128 1.00 1.00 H new ATOM 0 HG23 ILE A -4 14.515 -5.328 -7.582 1.00 1.00 H new ATOM 0 HD11 ILE A -4 15.385 -8.732 -10.953 1.00 1.00 H new ATOM 0 HD12 ILE A -4 16.936 -8.279 -10.207 1.00 1.00 H new ATOM 0 HD13 ILE A -4 15.840 -9.404 -9.370 1.00 1.00 H new ATOM 29 N ASP A -3 17.375 -4.273 -6.559 1.00 1.00 N ATOM 30 CA ASP A -3 17.779 -3.683 -5.290 1.00 1.00 C ATOM 31 C ASP A -3 16.668 -3.849 -4.257 1.00 1.00 C ATOM 32 O ASP A -3 15.483 -3.717 -4.575 1.00 1.00 O ATOM 33 CB ASP A -3 18.153 -2.202 -5.455 1.00 1.00 C ATOM 34 CG ASP A -3 16.957 -1.294 -5.662 1.00 1.00 C ATOM 35 OD1 ASP A -3 16.516 -1.137 -6.823 1.00 1.00 O ATOM 36 OD2 ASP A -3 16.470 -0.715 -4.670 1.00 1.00 O ATOM 0 H ASP A -3 16.941 -3.622 -7.213 1.00 1.00 H new ATOM 0 HA ASP A -3 18.667 -4.208 -4.938 1.00 1.00 H new ATOM 0 HB2 ASP A -3 18.700 -1.873 -4.571 1.00 1.00 H new ATOM 0 HB3 ASP A -3 18.828 -2.099 -6.304 1.00 1.00 H new ATOM 41 N PRO A -2 17.037 -4.156 -3.007 1.00 1.00 N ATOM 42 CA PRO A -2 16.072 -4.469 -1.952 1.00 1.00 C ATOM 43 C PRO A -2 15.432 -3.239 -1.320 1.00 1.00 C ATOM 44 O PRO A -2 14.407 -3.355 -0.650 1.00 1.00 O ATOM 45 CB PRO A -2 16.930 -5.198 -0.923 1.00 1.00 C ATOM 46 CG PRO A -2 18.281 -4.589 -1.067 1.00 1.00 C ATOM 47 CD PRO A -2 18.430 -4.239 -2.524 1.00 1.00 C ATOM 0 HA PRO A -2 15.229 -5.040 -2.340 1.00 1.00 H new ATOM 0 HB2 PRO A -2 16.540 -5.064 0.086 1.00 1.00 H new ATOM 0 HB3 PRO A -2 16.955 -6.271 -1.115 1.00 1.00 H new ATOM 0 HG2 PRO A -2 18.377 -3.701 -0.442 1.00 1.00 H new ATOM 0 HG3 PRO A -2 19.058 -5.286 -0.752 1.00 1.00 H new ATOM 0 HD2 PRO A -2 18.957 -3.294 -2.657 1.00 1.00 H new ATOM 0 HD3 PRO A -2 18.996 -4.999 -3.063 1.00 1.00 H new ATOM 55 N PHE A -1 16.037 -2.068 -1.538 1.00 1.00 N ATOM 56 CA PHE A -1 15.604 -0.824 -0.899 1.00 1.00 C ATOM 57 C PHE A -1 15.841 -0.893 0.611 1.00 1.00 C ATOM 58 O PHE A -1 16.828 -0.350 1.112 1.00 1.00 O ATOM 59 CB PHE A -1 14.130 -0.519 -1.223 1.00 1.00 C ATOM 60 CG PHE A -1 13.566 0.678 -0.507 1.00 1.00 C ATOM 61 CD1 PHE A -1 14.215 1.899 -0.546 1.00 1.00 C ATOM 62 CD2 PHE A -1 12.385 0.574 0.210 1.00 1.00 C ATOM 63 CE1 PHE A -1 13.696 2.995 0.115 1.00 1.00 C ATOM 64 CE2 PHE A -1 11.862 1.666 0.874 1.00 1.00 C ATOM 65 CZ PHE A -1 12.519 2.878 0.826 1.00 1.00 C ATOM 0 H PHE A -1 16.838 -1.957 -2.160 1.00 1.00 H new ATOM 0 HA PHE A -1 16.200 -0.004 -1.299 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.033 -0.362 -2.297 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.528 -1.393 -0.972 1.00 1.00 H new ATOM 0 HD1 PHE A -1 15.137 1.996 -1.099 1.00 1.00 H new ATOM 0 HD2 PHE A -1 11.867 -0.373 0.250 1.00 1.00 H new ATOM 0 HE1 PHE A -1 14.211 3.943 0.075 1.00 1.00 H new ATOM 0 HE2 PHE A -1 10.941 1.571 1.430 1.00 1.00 H new ATOM 0 HZ PHE A -1 12.113 3.734 1.344 1.00 1.00 H new ATOM 75 N THR A 0 14.953 -1.580 1.317 1.00 1.00 N ATOM 76 CA THR A 0 15.077 -1.784 2.753 1.00 1.00 C ATOM 77 C THR A 0 14.493 -3.142 3.126 1.00 1.00 C ATOM 78 O THR A 0 13.302 -3.383 2.906 1.00 1.00 O ATOM 79 CB THR A 0 14.348 -0.687 3.561 1.00 1.00 C ATOM 80 OG1 THR A 0 13.016 -0.511 3.060 1.00 1.00 O ATOM 81 CG2 THR A 0 15.094 0.637 3.509 1.00 1.00 C ATOM 0 H THR A 0 14.124 -2.012 0.908 1.00 1.00 H new ATOM 0 HA THR A 0 16.138 -1.738 3.000 1.00 1.00 H new ATOM 0 HB THR A 0 14.310 -1.012 4.601 1.00 1.00 H new ATOM 0 HG1 THR A 0 13.051 -0.070 2.185 1.00 1.00 H new ATOM 0 HG21 THR A 0 14.551 1.384 4.088 1.00 1.00 H new ATOM 0 HG22 THR A 0 16.092 0.509 3.927 1.00 1.00 H new ATOM 0 HG23 THR A 0 15.174 0.969 2.474 1.00 1.00 H new ATOM 89 N MET A 1 15.337 -4.025 3.663 1.00 1.00 N ATOM 90 CA MET A 1 14.919 -5.374 4.055 1.00 1.00 C ATOM 91 C MET A 1 14.473 -6.160 2.824 1.00 1.00 C ATOM 92 O MET A 1 14.852 -5.827 1.698 1.00 1.00 O ATOM 93 CB MET A 1 13.782 -5.312 5.086 1.00 1.00 C ATOM 94 CG MET A 1 14.132 -4.538 6.349 1.00 1.00 C ATOM 95 SD MET A 1 15.496 -5.270 7.273 1.00 1.00 S ATOM 96 CE MET A 1 15.657 -4.084 8.607 1.00 1.00 C ATOM 0 H MET A 1 16.322 -3.828 3.838 1.00 1.00 H new ATOM 0 HA MET A 1 15.768 -5.881 4.513 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.909 -4.853 4.622 1.00 1.00 H new ATOM 0 HB3 MET A 1 13.500 -6.328 5.362 1.00 1.00 H new ATOM 0 HG2 MET A 1 14.392 -3.514 6.080 1.00 1.00 H new ATOM 0 HG3 MET A 1 13.253 -4.486 6.991 1.00 1.00 H new ATOM 0 HE1 MET A 1 16.463 -4.392 9.273 1.00 1.00 H new ATOM 0 HE2 MET A 1 15.883 -3.101 8.194 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.723 -4.037 9.166 1.00 1.00 H new ATOM 106 N VAL A 2 13.704 -7.222 3.025 1.00 1.00 N ATOM 107 CA VAL A 2 13.089 -7.913 1.901 1.00 1.00 C ATOM 108 C VAL A 2 11.795 -7.188 1.512 1.00 1.00 C ATOM 109 O VAL A 2 10.690 -7.542 1.931 1.00 1.00 O ATOM 110 CB VAL A 2 12.849 -9.421 2.193 1.00 1.00 C ATOM 111 CG1 VAL A 2 11.961 -9.633 3.412 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.272 -10.123 0.972 1.00 1.00 C ATOM 0 H VAL A 2 13.494 -7.619 3.941 1.00 1.00 H new ATOM 0 HA VAL A 2 13.778 -7.886 1.056 1.00 1.00 H new ATOM 0 HB VAL A 2 13.818 -9.864 2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 2 11.820 -10.701 3.578 1.00 1.00 H new ATOM 0 HG12 VAL A 2 12.433 -9.188 4.288 1.00 1.00 H new ATOM 0 HG13 VAL A 2 10.993 -9.161 3.243 1.00 1.00 H new ATOM 0 HG21 VAL A 2 12.112 -11.177 1.200 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.322 -9.662 0.703 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.968 -10.033 0.138 1.00 1.00 H new ATOM 122 N ALA A 3 11.966 -6.129 0.735 1.00 1.00 N ATOM 123 CA ALA A 3 10.891 -5.193 0.443 1.00 1.00 C ATOM 124 C ALA A 3 9.722 -5.829 -0.300 1.00 1.00 C ATOM 125 O ALA A 3 9.888 -6.749 -1.106 1.00 1.00 O ATOM 126 CB ALA A 3 11.427 -4.012 -0.345 1.00 1.00 C ATOM 0 H ALA A 3 12.853 -5.894 0.290 1.00 1.00 H new ATOM 0 HA ALA A 3 10.503 -4.856 1.404 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.614 -3.318 -0.558 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.195 -3.504 0.238 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.858 -4.365 -1.282 1.00 1.00 H new ATOM 132 N LEU A 4 8.540 -5.312 -0.013 1.00 1.00 N ATOM 133 CA LEU A 4 7.323 -5.720 -0.689 1.00 1.00 C ATOM 134 C LEU A 4 6.990 -4.703 -1.767 1.00 1.00 C ATOM 135 O LEU A 4 6.586 -3.578 -1.466 1.00 1.00 O ATOM 136 CB LEU A 4 6.158 -5.808 0.302 1.00 1.00 C ATOM 137 CG LEU A 4 6.378 -6.717 1.509 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.140 -6.730 2.391 1.00 1.00 C ATOM 139 CD2 LEU A 4 6.724 -8.127 1.068 1.00 1.00 C ATOM 0 H LEU A 4 8.398 -4.595 0.698 1.00 1.00 H new ATOM 0 HA LEU A 4 7.478 -6.703 -1.133 1.00 1.00 H new ATOM 0 HB2 LEU A 4 5.937 -4.804 0.663 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.275 -6.156 -0.234 1.00 1.00 H new ATOM 0 HG LEU A 4 7.216 -6.324 2.084 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.310 -7.382 3.248 1.00 1.00 H new ATOM 0 HD12 LEU A 4 4.931 -5.719 2.740 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.289 -7.099 1.818 1.00 1.00 H new ATOM 0 HD21 LEU A 4 6.876 -8.756 1.945 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.908 -8.531 0.469 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.637 -8.108 0.472 1.00 1.00 H new ATOM 151 N SER A 5 7.187 -5.077 -3.016 1.00 1.00 N ATOM 152 CA SER A 5 6.891 -4.184 -4.116 1.00 1.00 C ATOM 153 C SER A 5 5.472 -4.420 -4.602 1.00 1.00 C ATOM 154 O SER A 5 5.196 -5.406 -5.282 1.00 1.00 O ATOM 155 CB SER A 5 7.873 -4.404 -5.262 1.00 1.00 C ATOM 156 OG SER A 5 7.893 -3.294 -6.147 1.00 1.00 O ATOM 0 H SER A 5 7.549 -5.990 -3.293 1.00 1.00 H new ATOM 0 HA SER A 5 6.988 -3.156 -3.767 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.873 -4.569 -4.860 1.00 1.00 H new ATOM 0 HB3 SER A 5 7.598 -5.304 -5.811 1.00 1.00 H new ATOM 0 HG SER A 5 7.523 -2.508 -5.694 1.00 1.00 H new ATOM 162 N LEU A 6 4.572 -3.531 -4.240 1.00 1.00 N ATOM 163 CA LEU A 6 3.191 -3.661 -4.657 1.00 1.00 C ATOM 164 C LEU A 6 2.832 -2.591 -5.666 1.00 1.00 C ATOM 165 O LEU A 6 3.374 -1.482 -5.636 1.00 1.00 O ATOM 166 CB LEU A 6 2.234 -3.590 -3.462 1.00 1.00 C ATOM 167 CG LEU A 6 2.156 -4.845 -2.609 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.328 -4.928 -1.646 1.00 1.00 C ATOM 169 CD2 LEU A 6 0.834 -4.897 -1.857 1.00 1.00 C ATOM 0 H LEU A 6 4.769 -2.715 -3.661 1.00 1.00 H new ATOM 0 HA LEU A 6 3.084 -4.640 -5.123 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.536 -2.758 -2.826 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.235 -3.361 -3.833 1.00 1.00 H new ATOM 0 HG LEU A 6 2.210 -5.708 -3.273 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.245 -5.836 -1.049 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.261 -4.948 -2.209 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.320 -4.059 -0.988 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.795 -5.802 -1.251 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.749 -4.024 -1.210 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.010 -4.902 -2.570 1.00 1.00 H new ATOM 181 N LYS A 7 1.932 -2.934 -6.567 1.00 1.00 N ATOM 182 CA LYS A 7 1.419 -1.977 -7.522 1.00 1.00 C ATOM 183 C LYS A 7 0.337 -1.162 -6.836 1.00 1.00 C ATOM 184 O LYS A 7 -0.775 -1.649 -6.624 1.00 1.00 O ATOM 185 CB LYS A 7 0.828 -2.684 -8.750 1.00 1.00 C ATOM 186 CG LYS A 7 1.580 -3.933 -9.191 1.00 1.00 C ATOM 187 CD LYS A 7 3.019 -3.645 -9.595 1.00 1.00 C ATOM 188 CE LYS A 7 3.703 -4.912 -10.084 1.00 1.00 C ATOM 189 NZ LYS A 7 5.141 -4.703 -10.392 1.00 1.00 N ATOM 0 H LYS A 7 1.541 -3.872 -6.656 1.00 1.00 H new ATOM 0 HA LYS A 7 2.232 -1.336 -7.864 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -0.205 -2.956 -8.533 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.804 -1.979 -9.581 1.00 1.00 H new ATOM 0 HG2 LYS A 7 1.574 -4.660 -8.379 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.056 -4.389 -10.031 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.037 -2.889 -10.380 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.566 -3.235 -8.746 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.607 -5.688 -9.325 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.193 -5.274 -10.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.559 -5.597 -10.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.236 -3.982 -11.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.637 -4.383 -9.535 1.00 1.00 H new ATOM 203 N ILE A 8 0.661 0.058 -6.459 1.00 1.00 N ATOM 204 CA ILE A 8 -0.277 0.887 -5.734 1.00 1.00 C ATOM 205 C ILE A 8 -1.147 1.670 -6.699 1.00 1.00 C ATOM 206 O ILE A 8 -0.698 2.625 -7.332 1.00 1.00 O ATOM 207 CB ILE A 8 0.429 1.854 -4.764 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.352 1.081 -3.815 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.601 2.648 -3.971 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.639 0.038 -2.979 1.00 1.00 C ATOM 0 H ILE A 8 1.564 0.495 -6.642 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.901 0.219 -5.140 1.00 1.00 H new ATOM 0 HB ILE A 8 1.035 2.549 -5.345 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.132 0.593 -4.400 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.848 1.788 -3.150 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.090 3.328 -3.289 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.224 3.222 -4.657 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.227 1.963 -3.399 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.359 -0.466 -2.334 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.122 0.521 -2.366 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.166 -0.693 -3.635 1.00 1.00 H new ATOM 222 N SER A 9 -2.384 1.238 -6.825 1.00 1.00 N ATOM 223 CA SER A 9 -3.333 1.882 -7.689 1.00 1.00 C ATOM 224 C SER A 9 -3.978 3.068 -6.978 1.00 1.00 C ATOM 225 O SER A 9 -4.860 2.900 -6.139 1.00 1.00 O ATOM 226 CB SER A 9 -4.374 0.855 -8.109 1.00 1.00 C ATOM 227 OG SER A 9 -3.809 -0.120 -8.972 1.00 1.00 O ATOM 0 H SER A 9 -2.754 0.428 -6.327 1.00 1.00 H new ATOM 0 HA SER A 9 -2.833 2.270 -8.576 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.786 0.368 -7.225 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.201 1.356 -8.612 1.00 1.00 H new ATOM 0 HG SER A 9 -4.497 -0.770 -9.227 1.00 1.00 H new ATOM 233 N ILE A 10 -3.506 4.262 -7.305 1.00 1.00 N ATOM 234 CA ILE A 10 -4.003 5.482 -6.690 1.00 1.00 C ATOM 235 C ILE A 10 -4.922 6.211 -7.658 1.00 1.00 C ATOM 236 O ILE A 10 -4.453 6.891 -8.572 1.00 1.00 O ATOM 237 CB ILE A 10 -2.849 6.429 -6.293 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.823 5.689 -5.432 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.391 7.643 -5.547 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.558 6.480 -5.187 1.00 1.00 C ATOM 0 H ILE A 10 -2.773 4.411 -7.999 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.547 5.198 -5.789 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.355 6.772 -7.202 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.277 5.440 -4.473 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.565 4.748 -5.917 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.566 8.301 -5.274 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.088 8.183 -6.188 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -3.907 7.315 -4.645 1.00 1.00 H new ATOM 0 HD11 ILE A 10 0.124 5.894 -4.570 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.080 6.707 -6.140 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.804 7.410 -4.674 1.00 1.00 H new ATOM 252 N GLY A 11 -6.222 6.038 -7.475 1.00 1.00 N ATOM 253 CA GLY A 11 -7.186 6.687 -8.339 1.00 1.00 C ATOM 254 C GLY A 11 -7.202 6.083 -9.727 1.00 1.00 C ATOM 255 O GLY A 11 -8.000 5.186 -10.015 1.00 1.00 O ATOM 0 H GLY A 11 -6.628 5.458 -6.741 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.179 6.607 -7.898 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -6.953 7.749 -8.409 1.00 1.00 H new ATOM 259 N ASN A 12 -6.316 6.566 -10.587 1.00 1.00 N ATOM 260 CA ASN A 12 -6.221 6.064 -11.952 1.00 1.00 C ATOM 261 C ASN A 12 -4.778 5.741 -12.321 1.00 1.00 C ATOM 262 O ASN A 12 -4.509 5.223 -13.406 1.00 1.00 O ATOM 263 CB ASN A 12 -6.787 7.085 -12.944 1.00 1.00 C ATOM 264 CG ASN A 12 -8.285 7.269 -12.806 1.00 1.00 C ATOM 265 OD1 ASN A 12 -8.753 8.128 -12.058 1.00 1.00 O ATOM 266 ND2 ASN A 12 -9.047 6.471 -13.534 1.00 1.00 N ATOM 0 H ASN A 12 -5.651 7.307 -10.364 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.809 5.147 -12.006 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.292 8.044 -12.793 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.557 6.764 -13.960 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -10.063 6.554 -13.488 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.619 5.772 -14.141 1.00 1.00 H new ATOM 273 N VAL A 13 -3.853 6.040 -11.420 1.00 1.00 N ATOM 274 CA VAL A 13 -2.435 5.839 -11.693 1.00 1.00 C ATOM 275 C VAL A 13 -1.878 4.682 -10.869 1.00 1.00 C ATOM 276 O VAL A 13 -2.114 4.594 -9.664 1.00 1.00 O ATOM 277 CB VAL A 13 -1.620 7.117 -11.397 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.146 6.908 -11.713 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.170 8.295 -12.186 1.00 1.00 C ATOM 0 H VAL A 13 -4.057 6.421 -10.496 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.343 5.600 -12.753 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.712 7.337 -10.333 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.406 7.823 -11.496 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.245 6.094 -11.102 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.032 6.657 -12.768 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -1.583 9.187 -11.965 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.112 8.078 -13.253 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.210 8.466 -11.907 1.00 1.00 H new ATOM 289 N VAL A 14 -1.141 3.798 -11.525 1.00 1.00 N ATOM 290 CA VAL A 14 -0.537 2.660 -10.852 1.00 1.00 C ATOM 291 C VAL A 14 0.918 2.964 -10.511 1.00 1.00 C ATOM 292 O VAL A 14 1.764 3.102 -11.398 1.00 1.00 O ATOM 293 CB VAL A 14 -0.610 1.382 -11.715 1.00 1.00 C ATOM 294 CG1 VAL A 14 0.007 0.198 -10.986 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.052 1.081 -12.098 1.00 1.00 C ATOM 0 H VAL A 14 -0.947 3.848 -12.525 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.101 2.483 -9.936 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.037 1.554 -12.626 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.057 -0.690 -11.615 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.053 0.412 -10.765 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.532 0.023 -10.055 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.086 0.177 -12.706 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.645 0.933 -11.195 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.459 1.917 -12.667 1.00 1.00 H new ATOM 305 N LYS A 15 1.198 3.084 -9.225 1.00 1.00 N ATOM 306 CA LYS A 15 2.539 3.388 -8.757 1.00 1.00 C ATOM 307 C LYS A 15 3.184 2.159 -8.133 1.00 1.00 C ATOM 308 O LYS A 15 2.749 1.678 -7.089 1.00 1.00 O ATOM 309 CB LYS A 15 2.493 4.525 -7.736 1.00 1.00 C ATOM 310 CG LYS A 15 2.078 5.863 -8.325 1.00 1.00 C ATOM 311 CD LYS A 15 3.107 6.374 -9.316 1.00 1.00 C ATOM 312 CE LYS A 15 2.811 7.801 -9.745 1.00 1.00 C ATOM 313 NZ LYS A 15 3.857 8.331 -10.658 1.00 1.00 N ATOM 0 H LYS A 15 0.509 2.975 -8.481 1.00 1.00 H new ATOM 0 HA LYS A 15 3.139 3.697 -9.613 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.798 4.258 -6.940 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.477 4.630 -7.278 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.113 5.760 -8.821 1.00 1.00 H new ATOM 0 HG3 LYS A 15 1.949 6.591 -7.524 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.099 6.327 -8.868 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.122 5.726 -10.192 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.842 7.837 -10.243 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.741 8.438 -8.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.620 9.307 -10.929 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.778 8.320 -10.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.907 7.738 -11.511 1.00 1.00 H new ATOM 327 N THR A 16 4.216 1.650 -8.778 1.00 1.00 N ATOM 328 CA THR A 16 4.947 0.513 -8.255 1.00 1.00 C ATOM 329 C THR A 16 6.031 0.992 -7.298 1.00 1.00 C ATOM 330 O THR A 16 7.007 1.620 -7.715 1.00 1.00 O ATOM 331 CB THR A 16 5.584 -0.310 -9.393 1.00 1.00 C ATOM 332 OG1 THR A 16 4.571 -0.712 -10.325 1.00 1.00 O ATOM 333 CG2 THR A 16 6.293 -1.541 -8.849 1.00 1.00 C ATOM 0 H THR A 16 4.567 2.007 -9.667 1.00 1.00 H new ATOM 0 HA THR A 16 4.244 -0.127 -7.722 1.00 1.00 H new ATOM 0 HB THR A 16 6.321 0.317 -9.895 1.00 1.00 H new ATOM 0 HG1 THR A 16 4.979 -1.233 -11.047 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.732 -2.102 -9.674 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.079 -1.233 -8.160 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.576 -2.171 -8.323 1.00 1.00 H new ATOM 341 N MET A 17 5.844 0.726 -6.014 1.00 1.00 N ATOM 342 CA MET A 17 6.801 1.149 -5.003 1.00 1.00 C ATOM 343 C MET A 17 7.132 -0.022 -4.087 1.00 1.00 C ATOM 344 O MET A 17 6.461 -1.055 -4.128 1.00 1.00 O ATOM 345 CB MET A 17 6.242 2.323 -4.191 1.00 1.00 C ATOM 346 CG MET A 17 7.307 3.297 -3.713 1.00 1.00 C ATOM 347 SD MET A 17 6.623 4.751 -2.890 1.00 1.00 S ATOM 348 CE MET A 17 5.848 4.004 -1.459 1.00 1.00 C ATOM 0 H MET A 17 5.038 0.219 -5.648 1.00 1.00 H new ATOM 0 HA MET A 17 7.714 1.482 -5.497 1.00 1.00 H new ATOM 0 HB2 MET A 17 5.516 2.862 -4.800 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.705 1.932 -3.327 1.00 1.00 H new ATOM 0 HG2 MET A 17 7.980 2.782 -3.027 1.00 1.00 H new ATOM 0 HG3 MET A 17 7.906 3.618 -4.566 1.00 1.00 H new ATOM 0 HE1 MET A 17 5.650 4.771 -0.711 1.00 1.00 H new ATOM 0 HE2 MET A 17 4.910 3.536 -1.756 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.512 3.249 -1.038 1.00 1.00 H new ATOM 358 N GLN A 18 8.170 0.124 -3.279 1.00 1.00 N ATOM 359 CA GLN A 18 8.588 -0.943 -2.384 1.00 1.00 C ATOM 360 C GLN A 18 8.433 -0.535 -0.927 1.00 1.00 C ATOM 361 O GLN A 18 8.942 0.501 -0.502 1.00 1.00 O ATOM 362 CB GLN A 18 10.035 -1.356 -2.668 1.00 1.00 C ATOM 363 CG GLN A 18 10.214 -2.026 -4.019 1.00 1.00 C ATOM 364 CD GLN A 18 11.607 -2.589 -4.231 1.00 1.00 C ATOM 365 OE1 GLN A 18 11.779 -3.596 -4.918 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.610 -1.944 -3.660 1.00 1.00 N ATOM 0 H GLN A 18 8.738 0.970 -3.225 1.00 1.00 H new ATOM 0 HA GLN A 18 7.939 -1.799 -2.567 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.673 -0.474 -2.620 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.372 -2.036 -1.885 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.486 -2.831 -4.117 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.998 -1.304 -4.806 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.428 -1.113 -3.098 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.566 -2.278 -3.782 1.00 1.00 H new ATOM 375 N PHE A 19 7.713 -1.356 -0.179 1.00 1.00 N ATOM 376 CA PHE A 19 7.524 -1.144 1.248 1.00 1.00 C ATOM 377 C PHE A 19 8.273 -2.221 2.019 1.00 1.00 C ATOM 378 O PHE A 19 8.915 -3.078 1.421 1.00 1.00 O ATOM 379 CB PHE A 19 6.041 -1.220 1.615 1.00 1.00 C ATOM 380 CG PHE A 19 5.140 -0.319 0.816 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.594 -0.751 -0.383 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.820 0.948 1.275 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.748 0.065 -1.108 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.977 1.769 0.552 1.00 1.00 C ATOM 385 CZ PHE A 19 3.440 1.327 -0.641 1.00 1.00 C ATOM 0 H PHE A 19 7.244 -2.186 -0.542 1.00 1.00 H new ATOM 0 HA PHE A 19 7.904 -0.155 1.504 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.704 -2.249 1.490 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.931 -0.975 2.671 1.00 1.00 H new ATOM 0 HD1 PHE A 19 4.833 -1.737 -0.754 1.00 1.00 H new ATOM 0 HD2 PHE A 19 5.234 1.298 2.209 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.328 -0.284 -2.040 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.738 2.756 0.919 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.780 1.967 -1.208 1.00 1.00 H new ATOM 395 N GLU A 20 8.183 -2.190 3.337 1.00 1.00 N ATOM 396 CA GLU A 20 8.746 -3.251 4.156 1.00 1.00 C ATOM 397 C GLU A 20 7.624 -4.130 4.690 1.00 1.00 C ATOM 398 O GLU A 20 6.512 -3.654 4.914 1.00 1.00 O ATOM 399 CB GLU A 20 9.548 -2.673 5.324 1.00 1.00 C ATOM 400 CG GLU A 20 10.738 -1.834 4.902 1.00 1.00 C ATOM 401 CD GLU A 20 11.464 -1.233 6.085 1.00 1.00 C ATOM 402 OE1 GLU A 20 11.059 -0.145 6.543 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.435 -1.844 6.569 1.00 1.00 O ATOM 0 H GLU A 20 7.727 -1.444 3.863 1.00 1.00 H new ATOM 0 HA GLU A 20 9.419 -3.845 3.538 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.886 -2.063 5.938 1.00 1.00 H new ATOM 0 HB3 GLU A 20 9.899 -3.493 5.951 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.430 -2.451 4.329 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.401 -1.035 4.241 1.00 1.00 H new ATOM 410 N PRO A 21 7.883 -5.428 4.884 1.00 1.00 N ATOM 411 CA PRO A 21 6.908 -6.329 5.500 1.00 1.00 C ATOM 412 C PRO A 21 6.517 -5.855 6.896 1.00 1.00 C ATOM 413 O PRO A 21 5.376 -6.015 7.327 1.00 1.00 O ATOM 414 CB PRO A 21 7.636 -7.675 5.573 1.00 1.00 C ATOM 415 CG PRO A 21 8.753 -7.578 4.590 1.00 1.00 C ATOM 416 CD PRO A 21 9.122 -6.122 4.494 1.00 1.00 C ATOM 0 HA PRO A 21 5.979 -6.379 4.931 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.013 -7.863 6.578 1.00 1.00 H new ATOM 0 HB3 PRO A 21 6.965 -8.498 5.325 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.607 -8.173 4.915 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.447 -7.964 3.618 1.00 1.00 H new ATOM 0 HD2 PRO A 21 9.948 -5.872 5.159 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.433 -5.852 3.485 1.00 1.00 H new ATOM 424 N SER A 22 7.470 -5.231 7.575 1.00 1.00 N ATOM 425 CA SER A 22 7.273 -4.766 8.939 1.00 1.00 C ATOM 426 C SER A 22 6.568 -3.407 8.959 1.00 1.00 C ATOM 427 O SER A 22 6.312 -2.846 10.025 1.00 1.00 O ATOM 428 CB SER A 22 8.626 -4.681 9.646 1.00 1.00 C ATOM 429 OG SER A 22 8.485 -4.451 11.039 1.00 1.00 O ATOM 0 H SER A 22 8.397 -5.034 7.197 1.00 1.00 H new ATOM 0 HA SER A 22 6.635 -5.476 9.466 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.178 -5.607 9.486 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.216 -3.878 9.204 1.00 1.00 H new ATOM 0 HG SER A 22 7.692 -3.899 11.201 1.00 1.00 H new ATOM 435 N THR A 23 6.250 -2.884 7.783 1.00 1.00 N ATOM 436 CA THR A 23 5.582 -1.597 7.681 1.00 1.00 C ATOM 437 C THR A 23 4.110 -1.710 8.072 1.00 1.00 C ATOM 438 O THR A 23 3.379 -2.553 7.546 1.00 1.00 O ATOM 439 CB THR A 23 5.699 -1.022 6.255 1.00 1.00 C ATOM 440 OG1 THR A 23 7.080 -0.839 5.922 1.00 1.00 O ATOM 441 CG2 THR A 23 4.969 0.308 6.128 1.00 1.00 C ATOM 0 H THR A 23 6.444 -3.332 6.887 1.00 1.00 H new ATOM 0 HA THR A 23 6.078 -0.918 8.374 1.00 1.00 H new ATOM 0 HB THR A 23 5.238 -1.731 5.568 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.590 -0.647 6.736 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.072 0.684 5.110 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.913 0.167 6.357 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.398 1.027 6.826 1.00 1.00 H new ATOM 449 N MET A 24 3.699 -0.876 9.019 1.00 1.00 N ATOM 450 CA MET A 24 2.302 -0.793 9.424 1.00 1.00 C ATOM 451 C MET A 24 1.471 -0.218 8.283 1.00 1.00 C ATOM 452 O MET A 24 1.971 0.583 7.495 1.00 1.00 O ATOM 453 CB MET A 24 2.163 0.091 10.668 1.00 1.00 C ATOM 454 CG MET A 24 2.987 -0.381 11.857 1.00 1.00 C ATOM 455 SD MET A 24 2.449 -1.979 12.501 1.00 1.00 S ATOM 456 CE MET A 24 0.794 -1.575 13.054 1.00 1.00 C ATOM 0 H MET A 24 4.319 -0.243 9.524 1.00 1.00 H new ATOM 0 HA MET A 24 1.942 -1.793 9.664 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.461 1.108 10.414 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.113 0.129 10.959 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.034 -0.449 11.562 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.927 0.363 12.651 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.460 -2.319 13.777 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.797 -0.590 13.521 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.116 -1.569 12.200 1.00 1.00 H new ATOM 466 N VAL A 25 0.210 -0.616 8.199 1.00 1.00 N ATOM 467 CA VAL A 25 -0.663 -0.172 7.115 1.00 1.00 C ATOM 468 C VAL A 25 -0.765 1.354 7.052 1.00 1.00 C ATOM 469 O VAL A 25 -0.669 1.941 5.974 1.00 1.00 O ATOM 470 CB VAL A 25 -2.070 -0.798 7.237 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.048 -0.155 6.264 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.994 -2.298 6.991 1.00 1.00 C ATOM 0 H VAL A 25 -0.234 -1.246 8.867 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.210 -0.515 6.185 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.436 -0.617 8.248 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.029 -0.618 6.375 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.124 0.912 6.476 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.693 -0.298 5.243 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.990 -2.732 7.079 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.604 -2.483 5.990 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.333 -2.755 7.728 1.00 1.00 H new ATOM 482 N TYR A 26 -0.924 2.000 8.203 1.00 1.00 N ATOM 483 CA TYR A 26 -1.036 3.458 8.238 1.00 1.00 C ATOM 484 C TYR A 26 0.301 4.113 7.905 1.00 1.00 C ATOM 485 O TYR A 26 0.353 5.263 7.475 1.00 1.00 O ATOM 486 CB TYR A 26 -1.555 3.954 9.594 1.00 1.00 C ATOM 487 CG TYR A 26 -0.586 3.800 10.751 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.560 2.642 11.517 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.291 4.823 11.084 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.316 2.507 12.579 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.167 4.696 12.142 1.00 1.00 C ATOM 492 CZ TYR A 26 1.176 3.538 12.886 1.00 1.00 C ATOM 493 OH TYR A 26 2.049 3.414 13.943 1.00 1.00 O ATOM 0 H TYR A 26 -0.978 1.546 9.115 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.763 3.747 7.479 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.820 5.007 9.501 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.471 3.415 9.834 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -1.235 1.833 11.280 1.00 1.00 H new ATOM 0 HD2 TYR A 26 0.287 5.734 10.505 1.00 1.00 H new ATOM 0 HE1 TYR A 26 0.325 1.599 13.164 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.843 5.502 12.386 1.00 1.00 H new ATOM 0 HH TYR A 26 2.585 4.231 14.022 1.00 1.00 H new ATOM 503 N ASP A 27 1.383 3.378 8.107 1.00 1.00 N ATOM 504 CA ASP A 27 2.708 3.897 7.785 1.00 1.00 C ATOM 505 C ASP A 27 2.974 3.746 6.292 1.00 1.00 C ATOM 506 O ASP A 27 3.664 4.563 5.683 1.00 1.00 O ATOM 507 CB ASP A 27 3.794 3.187 8.599 1.00 1.00 C ATOM 508 CG ASP A 27 5.159 3.834 8.431 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.308 5.020 8.805 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.088 3.169 7.926 1.00 1.00 O ATOM 0 H ASP A 27 1.374 2.432 8.487 1.00 1.00 H new ATOM 0 HA ASP A 27 2.736 4.955 8.047 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.518 3.196 9.653 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.850 2.142 8.293 1.00 1.00 H new ATOM 515 N ALA A 28 2.394 2.706 5.705 1.00 1.00 N ATOM 516 CA ALA A 28 2.519 2.454 4.277 1.00 1.00 C ATOM 517 C ALA A 28 1.765 3.507 3.472 1.00 1.00 C ATOM 518 O ALA A 28 2.282 4.036 2.486 1.00 1.00 O ATOM 519 CB ALA A 28 2.013 1.060 3.939 1.00 1.00 C ATOM 0 H ALA A 28 1.828 2.019 6.202 1.00 1.00 H new ATOM 0 HA ALA A 28 3.574 2.515 4.010 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.113 0.886 2.868 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.598 0.319 4.483 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.964 0.975 4.224 1.00 1.00 H new ATOM 525 N CYS A 29 0.548 3.824 3.898 1.00 1.00 N ATOM 526 CA CYS A 29 -0.234 4.855 3.228 1.00 1.00 C ATOM 527 C CYS A 29 0.400 6.225 3.461 1.00 1.00 C ATOM 528 O CYS A 29 0.268 7.135 2.640 1.00 1.00 O ATOM 529 CB CYS A 29 -1.694 4.832 3.702 1.00 1.00 C ATOM 530 SG CYS A 29 -1.914 5.016 5.483 1.00 1.00 S ATOM 0 H CYS A 29 0.086 3.387 4.695 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.235 4.652 2.157 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.237 5.632 3.198 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.148 3.892 3.389 1.00 1.00 H new ATOM 0 HG CYS A 29 -0.765 5.263 6.039 1.00 1.00 H new ATOM 536 N ARG A 30 1.109 6.354 4.580 1.00 1.00 N ATOM 537 CA ARG A 30 1.868 7.561 4.874 1.00 1.00 C ATOM 538 C ARG A 30 3.011 7.716 3.872 1.00 1.00 C ATOM 539 O ARG A 30 3.293 8.822 3.402 1.00 1.00 O ATOM 540 CB ARG A 30 2.428 7.508 6.298 1.00 1.00 C ATOM 541 CG ARG A 30 3.172 8.769 6.702 1.00 1.00 C ATOM 542 CD ARG A 30 4.058 8.538 7.916 1.00 1.00 C ATOM 543 NE ARG A 30 5.039 7.475 7.682 1.00 1.00 N ATOM 544 CZ ARG A 30 6.098 7.586 6.874 1.00 1.00 C ATOM 545 NH1 ARG A 30 6.332 8.720 6.217 1.00 1.00 N ATOM 546 NH2 ARG A 30 6.923 6.555 6.730 1.00 1.00 N ATOM 0 H ARG A 30 1.172 5.633 5.299 1.00 1.00 H new ATOM 0 HA ARG A 30 1.201 8.419 4.793 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.608 7.339 6.997 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.101 6.655 6.384 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.782 9.114 5.867 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.455 9.560 6.921 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.578 9.463 8.167 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.438 8.277 8.774 1.00 1.00 H new ATOM 0 HE ARG A 30 4.904 6.589 8.169 1.00 1.00 H new ATOM 0 HH11 ARG A 30 5.701 9.513 6.328 1.00 1.00 H new ATOM 0 HH12 ARG A 30 7.143 8.795 5.603 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.746 5.686 7.234 1.00 1.00 H new ATOM 0 HH22 ARG A 30 7.733 6.632 6.115 1.00 1.00 H new ATOM 560 N MET A 31 3.662 6.599 3.549 1.00 1.00 N ATOM 561 CA MET A 31 4.748 6.590 2.570 1.00 1.00 C ATOM 562 C MET A 31 4.260 7.087 1.218 1.00 1.00 C ATOM 563 O MET A 31 4.949 7.850 0.545 1.00 1.00 O ATOM 564 CB MET A 31 5.336 5.187 2.408 1.00 1.00 C ATOM 565 CG MET A 31 6.099 4.691 3.620 1.00 1.00 C ATOM 566 SD MET A 31 6.818 3.060 3.355 1.00 1.00 S ATOM 567 CE MET A 31 7.657 2.808 4.914 1.00 1.00 C ATOM 0 H MET A 31 3.455 5.686 3.953 1.00 1.00 H new ATOM 0 HA MET A 31 5.525 7.258 2.942 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.528 4.489 2.191 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.002 5.182 1.545 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.891 5.400 3.863 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.429 4.655 4.479 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.481 2.108 4.775 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.046 3.760 5.276 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.956 2.402 5.643 1.00 1.00 H new ATOM 577 N ILE A 32 3.068 6.658 0.827 1.00 1.00 N ATOM 578 CA ILE A 32 2.488 7.092 -0.433 1.00 1.00 C ATOM 579 C ILE A 32 2.316 8.610 -0.455 1.00 1.00 C ATOM 580 O ILE A 32 2.578 9.253 -1.463 1.00 1.00 O ATOM 581 CB ILE A 32 1.132 6.393 -0.715 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.356 4.917 -1.047 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.395 7.085 -1.851 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.127 4.703 -2.329 1.00 1.00 C ATOM 0 H ILE A 32 2.487 6.013 1.362 1.00 1.00 H new ATOM 0 HA ILE A 32 3.181 6.804 -1.224 1.00 1.00 H new ATOM 0 HB ILE A 32 0.517 6.461 0.183 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.893 4.444 -0.225 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.390 4.419 -1.125 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.553 6.578 -2.032 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.206 8.124 -1.582 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.003 7.049 -2.755 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.251 3.634 -2.505 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.580 5.147 -3.161 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.107 5.173 -2.247 1.00 1.00 H new ATOM 596 N ARG A 33 1.922 9.179 0.674 1.00 1.00 N ATOM 597 CA ARG A 33 1.672 10.611 0.759 1.00 1.00 C ATOM 598 C ARG A 33 2.960 11.429 0.712 1.00 1.00 C ATOM 599 O ARG A 33 2.978 12.531 0.162 1.00 1.00 O ATOM 600 CB ARG A 33 0.887 10.933 2.028 1.00 1.00 C ATOM 601 CG ARG A 33 -0.559 10.483 1.968 1.00 1.00 C ATOM 602 CD ARG A 33 -1.308 10.856 3.230 1.00 1.00 C ATOM 603 NE ARG A 33 -2.753 10.827 3.029 1.00 1.00 N ATOM 604 CZ ARG A 33 -3.568 11.810 3.407 1.00 1.00 C ATOM 605 NH1 ARG A 33 -3.081 12.872 4.043 1.00 1.00 N ATOM 606 NH2 ARG A 33 -4.870 11.731 3.155 1.00 1.00 N ATOM 0 H ARG A 33 1.768 8.671 1.545 1.00 1.00 H new ATOM 0 HA ARG A 33 1.082 10.889 -0.114 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.374 10.456 2.879 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.919 12.008 2.204 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -1.047 10.937 1.106 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.600 9.403 1.825 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -1.038 10.167 4.030 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -1.005 11.853 3.552 1.00 1.00 H new ATOM 0 HE ARG A 33 -3.161 10.010 2.575 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -2.082 12.934 4.242 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -3.706 13.624 4.332 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -5.247 10.916 2.671 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -5.492 12.485 3.445 1.00 1.00 H new ATOM 620 N GLU A 34 4.036 10.904 1.285 1.00 1.00 N ATOM 621 CA GLU A 34 5.297 11.637 1.317 1.00 1.00 C ATOM 622 C GLU A 34 6.055 11.498 -0.003 1.00 1.00 C ATOM 623 O GLU A 34 6.777 12.404 -0.410 1.00 1.00 O ATOM 624 CB GLU A 34 6.175 11.178 2.478 1.00 1.00 C ATOM 625 CG GLU A 34 6.569 9.728 2.372 1.00 1.00 C ATOM 626 CD GLU A 34 7.918 9.442 2.988 1.00 1.00 C ATOM 627 OE1 GLU A 34 8.935 9.601 2.286 1.00 1.00 O ATOM 628 OE2 GLU A 34 7.973 9.059 4.173 1.00 1.00 O ATOM 0 H GLU A 34 4.063 9.986 1.729 1.00 1.00 H new ATOM 0 HA GLU A 34 5.054 12.689 1.464 1.00 1.00 H new ATOM 0 HB2 GLU A 34 7.074 11.793 2.513 1.00 1.00 H new ATOM 0 HB3 GLU A 34 5.643 11.338 3.416 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.813 9.114 2.862 1.00 1.00 H new ATOM 0 HG3 GLU A 34 6.585 9.436 1.322 1.00 1.00 H new ATOM 635 N ARG A 35 5.885 10.363 -0.668 1.00 1.00 N ATOM 636 CA ARG A 35 6.586 10.103 -1.921 1.00 1.00 C ATOM 637 C ARG A 35 5.783 10.616 -3.110 1.00 1.00 C ATOM 638 O ARG A 35 6.342 11.140 -4.073 1.00 1.00 O ATOM 639 CB ARG A 35 6.851 8.601 -2.075 1.00 1.00 C ATOM 640 CG ARG A 35 7.725 8.024 -0.975 1.00 1.00 C ATOM 641 CD ARG A 35 9.152 8.536 -1.069 1.00 1.00 C ATOM 642 NE ARG A 35 9.888 8.337 0.178 1.00 1.00 N ATOM 643 CZ ARG A 35 11.009 7.628 0.284 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.470 6.947 -0.758 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.658 7.584 1.441 1.00 1.00 N ATOM 0 H ARG A 35 5.270 9.609 -0.363 1.00 1.00 H new ATOM 0 HA ARG A 35 7.538 10.633 -1.896 1.00 1.00 H new ATOM 0 HB2 ARG A 35 5.898 8.071 -2.087 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.327 8.421 -3.039 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.307 8.285 -0.003 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.723 6.936 -1.041 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.668 8.023 -1.881 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.141 9.597 -1.318 1.00 1.00 H new ATOM 0 HE ARG A 35 9.517 8.771 1.024 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.965 6.966 -1.644 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.330 6.405 -0.673 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.297 8.093 2.248 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.517 7.041 1.523 1.00 1.00 H new ATOM 659 N ILE A 36 4.471 10.473 -3.030 1.00 1.00 N ATOM 660 CA ILE A 36 3.586 10.846 -4.123 1.00 1.00 C ATOM 661 C ILE A 36 2.603 11.920 -3.663 1.00 1.00 C ATOM 662 O ILE A 36 1.871 11.728 -2.693 1.00 1.00 O ATOM 663 CB ILE A 36 2.809 9.610 -4.633 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.785 8.473 -4.949 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.984 9.960 -5.863 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.111 7.149 -5.227 1.00 1.00 C ATOM 0 H ILE A 36 3.991 10.098 -2.212 1.00 1.00 H new ATOM 0 HA ILE A 36 4.192 11.243 -4.937 1.00 1.00 H new ATOM 0 HB ILE A 36 2.125 9.282 -3.850 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.386 8.753 -5.814 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.471 8.352 -4.110 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.446 9.075 -6.204 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.270 10.744 -5.611 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.644 10.311 -6.656 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.867 6.394 -5.442 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.533 6.845 -4.355 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.447 7.252 -6.085 1.00 1.00 H new ATOM 678 N PRO A 37 2.551 13.061 -4.367 1.00 1.00 N ATOM 679 CA PRO A 37 1.714 14.203 -3.969 1.00 1.00 C ATOM 680 C PRO A 37 0.247 13.949 -4.270 1.00 1.00 C ATOM 681 O PRO A 37 -0.643 14.598 -3.717 1.00 1.00 O ATOM 682 CB PRO A 37 2.238 15.313 -4.869 1.00 1.00 C ATOM 683 CG PRO A 37 2.575 14.584 -6.113 1.00 1.00 C ATOM 684 CD PRO A 37 3.267 13.337 -5.631 1.00 1.00 C ATOM 0 HA PRO A 37 1.767 14.419 -2.902 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.487 16.084 -5.041 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.109 15.807 -4.439 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.682 14.346 -6.690 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.224 15.176 -6.759 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.172 12.516 -6.342 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.333 13.498 -5.470 1.00 1.00 H new ATOM 692 N GLU A 38 0.015 12.986 -5.153 1.00 1.00 N ATOM 693 CA GLU A 38 -1.317 12.678 -5.627 1.00 1.00 C ATOM 694 C GLU A 38 -2.154 12.080 -4.501 1.00 1.00 C ATOM 695 O GLU A 38 -3.385 12.119 -4.527 1.00 1.00 O ATOM 696 CB GLU A 38 -1.244 11.701 -6.798 1.00 1.00 C ATOM 697 CG GLU A 38 -0.369 12.192 -7.937 1.00 1.00 C ATOM 698 CD GLU A 38 -0.856 13.500 -8.521 1.00 1.00 C ATOM 699 OE1 GLU A 38 -1.800 13.474 -9.336 1.00 1.00 O ATOM 700 OE2 GLU A 38 -0.291 14.558 -8.176 1.00 1.00 O ATOM 0 H GLU A 38 0.747 12.401 -5.556 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.790 13.601 -5.964 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.861 10.745 -6.441 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.251 11.520 -7.175 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.653 12.316 -7.578 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.341 11.436 -8.721 1.00 1.00 H new ATOM 707 N ALA A 39 -1.457 11.524 -3.515 1.00 1.00 N ATOM 708 CA ALA A 39 -2.085 10.901 -2.361 1.00 1.00 C ATOM 709 C ALA A 39 -2.765 11.927 -1.463 1.00 1.00 C ATOM 710 O ALA A 39 -3.629 11.585 -0.649 1.00 1.00 O ATOM 711 CB ALA A 39 -1.036 10.148 -1.572 1.00 1.00 C ATOM 0 H ALA A 39 -0.438 11.494 -3.496 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.854 10.217 -2.720 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.500 9.678 -0.705 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.587 9.381 -2.203 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.264 10.842 -1.239 1.00 1.00 H new ATOM 717 N LEU A 40 -2.365 13.179 -1.606 1.00 1.00 N ATOM 718 CA LEU A 40 -2.881 14.245 -0.771 1.00 1.00 C ATOM 719 C LEU A 40 -4.067 14.921 -1.440 1.00 1.00 C ATOM 720 O LEU A 40 -3.910 15.875 -2.206 1.00 1.00 O ATOM 721 CB LEU A 40 -1.772 15.256 -0.476 1.00 1.00 C ATOM 722 CG LEU A 40 -0.584 14.686 0.298 1.00 1.00 C ATOM 723 CD1 LEU A 40 0.580 15.659 0.295 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.992 14.359 1.723 1.00 1.00 C ATOM 0 H LEU A 40 -1.680 13.481 -2.298 1.00 1.00 H new ATOM 0 HA LEU A 40 -3.226 13.821 0.172 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.412 15.666 -1.419 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -2.195 16.085 0.091 1.00 1.00 H new ATOM 0 HG LEU A 40 -0.264 13.769 -0.196 1.00 1.00 H new ATOM 0 HD11 LEU A 40 1.413 15.231 0.852 1.00 1.00 H new ATOM 0 HD12 LEU A 40 0.891 15.852 -0.732 1.00 1.00 H new ATOM 0 HD13 LEU A 40 0.273 16.595 0.763 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -0.136 13.954 2.263 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -1.338 15.266 2.220 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -1.795 13.622 1.712 1.00 1.00 H new ATOM 736 N ALA A 41 -5.250 14.394 -1.170 1.00 1.00 N ATOM 737 CA ALA A 41 -6.481 14.925 -1.728 1.00 1.00 C ATOM 738 C ALA A 41 -7.612 14.811 -0.715 1.00 1.00 C ATOM 739 O ALA A 41 -8.782 14.706 -1.080 1.00 1.00 O ATOM 740 CB ALA A 41 -6.833 14.186 -3.011 1.00 1.00 C ATOM 0 H ALA A 41 -5.383 13.588 -0.559 1.00 1.00 H new ATOM 0 HA ALA A 41 -6.337 15.980 -1.963 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.758 14.591 -3.422 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -6.028 14.311 -3.735 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.966 13.126 -2.796 1.00 1.00 H new ATOM 746 N GLY A 42 -7.256 14.850 0.560 1.00 1.00 N ATOM 747 CA GLY A 42 -8.243 14.715 1.610 1.00 1.00 C ATOM 748 C GLY A 42 -7.622 14.311 2.931 1.00 1.00 C ATOM 749 O GLY A 42 -6.416 14.055 3.000 1.00 1.00 O ATOM 0 H GLY A 42 -6.298 14.973 0.887 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -8.772 15.660 1.733 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.984 13.971 1.316 1.00 1.00 H new ATOM 753 N PRO A 43 -8.424 14.246 4.003 1.00 1.00 N ATOM 754 CA PRO A 43 -7.944 13.863 5.333 1.00 1.00 C ATOM 755 C PRO A 43 -7.421 12.444 5.368 1.00 1.00 C ATOM 756 O PRO A 43 -7.838 11.590 4.584 1.00 1.00 O ATOM 757 CB PRO A 43 -9.175 14.032 6.232 1.00 1.00 C ATOM 758 CG PRO A 43 -10.340 13.966 5.308 1.00 1.00 C ATOM 759 CD PRO A 43 -9.869 14.541 4.002 1.00 1.00 C ATOM 0 HA PRO A 43 -7.100 14.473 5.654 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -9.224 13.246 6.986 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -9.147 14.983 6.764 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -10.679 12.938 5.181 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -11.183 14.534 5.702 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -10.373 14.078 3.154 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -10.061 15.612 3.942 1.00 1.00 H new ATOM 767 N PRO A 44 -6.482 12.181 6.279 1.00 1.00 N ATOM 768 CA PRO A 44 -5.726 10.941 6.283 1.00 1.00 C ATOM 769 C PRO A 44 -6.596 9.702 6.483 1.00 1.00 C ATOM 770 O PRO A 44 -6.325 8.649 5.913 1.00 1.00 O ATOM 771 CB PRO A 44 -4.742 11.102 7.448 1.00 1.00 C ATOM 772 CG PRO A 44 -4.707 12.564 7.725 1.00 1.00 C ATOM 773 CD PRO A 44 -6.069 13.079 7.370 1.00 1.00 C ATOM 0 HA PRO A 44 -5.240 10.781 5.321 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -5.072 10.542 8.323 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.753 10.727 7.184 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -4.476 12.758 8.772 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -3.936 13.056 7.132 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -6.754 13.029 8.217 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -6.037 14.120 7.047 1.00 1.00 H new ATOM 781 N ASN A 45 -7.654 9.842 7.272 1.00 1.00 N ATOM 782 CA ASN A 45 -8.518 8.711 7.606 1.00 1.00 C ATOM 783 C ASN A 45 -9.601 8.520 6.550 1.00 1.00 C ATOM 784 O ASN A 45 -10.424 7.609 6.644 1.00 1.00 O ATOM 785 CB ASN A 45 -9.164 8.915 8.980 1.00 1.00 C ATOM 786 CG ASN A 45 -8.159 8.911 10.118 1.00 1.00 C ATOM 787 OD1 ASN A 45 -6.972 9.175 9.927 1.00 1.00 O ATOM 788 ND2 ASN A 45 -8.630 8.640 11.322 1.00 1.00 N ATOM 0 H ASN A 45 -7.936 10.727 7.694 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.898 7.815 7.634 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -9.704 9.862 8.984 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -9.899 8.128 9.150 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -8.004 8.646 12.128 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -9.619 8.425 11.446 1.00 1.00 H new ATOM 795 N ASP A 46 -9.599 9.388 5.547 1.00 1.00 N ATOM 796 CA ASP A 46 -10.565 9.303 4.459 1.00 1.00 C ATOM 797 C ASP A 46 -9.995 8.454 3.327 1.00 1.00 C ATOM 798 O ASP A 46 -10.712 8.016 2.430 1.00 1.00 O ATOM 799 CB ASP A 46 -10.921 10.706 3.961 1.00 1.00 C ATOM 800 CG ASP A 46 -12.048 10.705 2.949 1.00 1.00 C ATOM 801 OD1 ASP A 46 -13.128 10.150 3.256 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.866 11.265 1.852 1.00 1.00 O ATOM 0 H ASP A 46 -8.938 10.160 5.464 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.476 8.829 4.823 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -11.204 11.327 4.811 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.038 11.162 3.513 1.00 1.00 H new ATOM 807 N PHE A 47 -8.695 8.210 3.397 1.00 1.00 N ATOM 808 CA PHE A 47 -8.012 7.365 2.430 1.00 1.00 C ATOM 809 C PHE A 47 -7.534 6.092 3.112 1.00 1.00 C ATOM 810 O PHE A 47 -7.260 6.093 4.311 1.00 1.00 O ATOM 811 CB PHE A 47 -6.823 8.103 1.808 1.00 1.00 C ATOM 812 CG PHE A 47 -7.214 9.184 0.839 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.703 10.400 1.290 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.087 8.982 -0.526 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.060 11.392 0.396 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.442 9.970 -1.423 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.929 11.176 -0.961 1.00 1.00 C ATOM 0 H PHE A 47 -8.087 8.590 4.122 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.711 7.110 1.634 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.224 8.543 2.605 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.188 7.381 1.294 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -7.806 10.574 2.351 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.706 8.040 -0.893 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.441 12.335 0.759 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.339 9.799 -2.484 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.207 11.950 -1.661 1.00 1.00 H new ATOM 827 N GLY A 48 -7.445 5.009 2.359 1.00 1.00 N ATOM 828 CA GLY A 48 -7.015 3.754 2.938 1.00 1.00 C ATOM 829 C GLY A 48 -6.360 2.843 1.927 1.00 1.00 C ATOM 830 O GLY A 48 -6.337 3.145 0.731 1.00 1.00 O ATOM 0 H GLY A 48 -7.661 4.975 1.363 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.315 3.953 3.749 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.875 3.247 3.376 1.00 1.00 H new ATOM 834 N LEU A 49 -5.827 1.730 2.408 1.00 1.00 N ATOM 835 CA LEU A 49 -5.193 0.748 1.546 1.00 1.00 C ATOM 836 C LEU A 49 -6.157 -0.389 1.249 1.00 1.00 C ATOM 837 O LEU A 49 -6.617 -1.082 2.156 1.00 1.00 O ATOM 838 CB LEU A 49 -3.920 0.204 2.196 1.00 1.00 C ATOM 839 CG LEU A 49 -2.790 1.221 2.364 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.601 0.583 3.059 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.373 1.782 1.012 1.00 1.00 C ATOM 0 H LEU A 49 -5.822 1.485 3.398 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.922 1.235 0.609 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.175 -0.198 3.177 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.552 -0.629 1.596 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.155 2.041 2.982 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.806 1.320 3.171 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.904 0.224 4.043 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.238 -0.255 2.464 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.568 2.504 1.150 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.026 0.970 0.372 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.225 2.274 0.544 1.00 1.00 H new ATOM 853 N PHE A 50 -6.465 -0.566 -0.022 1.00 1.00 N ATOM 854 CA PHE A 50 -7.409 -1.584 -0.448 1.00 1.00 C ATOM 855 C PHE A 50 -6.679 -2.717 -1.155 1.00 1.00 C ATOM 856 O PHE A 50 -6.221 -2.561 -2.288 1.00 1.00 O ATOM 857 CB PHE A 50 -8.465 -0.966 -1.372 1.00 1.00 C ATOM 858 CG PHE A 50 -9.421 -1.961 -1.965 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.376 -2.583 -1.177 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.360 -2.277 -3.313 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.253 -3.501 -1.722 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.233 -3.196 -3.863 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.181 -3.808 -3.067 1.00 1.00 C ATOM 0 H PHE A 50 -6.072 -0.013 -0.784 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.909 -1.992 0.430 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.032 -0.223 -0.811 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.960 -0.438 -2.181 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.436 -2.348 -0.125 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.622 -1.800 -3.941 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -11.994 -3.978 -1.097 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.174 -3.435 -4.914 1.00 1.00 H new ATOM 0 HZ PHE A 50 -11.865 -4.526 -3.495 1.00 1.00 H new ATOM 873 N LEU A 51 -6.553 -3.846 -0.473 1.00 1.00 N ATOM 874 CA LEU A 51 -5.903 -5.013 -1.044 1.00 1.00 C ATOM 875 C LEU A 51 -6.711 -5.533 -2.223 1.00 1.00 C ATOM 876 O LEU A 51 -7.854 -5.958 -2.063 1.00 1.00 O ATOM 877 CB LEU A 51 -5.741 -6.112 0.012 1.00 1.00 C ATOM 878 CG LEU A 51 -5.214 -7.451 -0.514 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.900 -7.259 -1.253 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.044 -8.438 0.629 1.00 1.00 C ATOM 0 H LEU A 51 -6.894 -3.977 0.479 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.912 -4.723 -1.392 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.063 -5.752 0.786 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.707 -6.282 0.487 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.943 -7.855 -1.216 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.544 -8.222 -1.618 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.052 -6.585 -2.096 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.161 -6.832 -0.576 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.669 -9.385 0.240 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.335 -8.037 1.353 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.006 -8.601 1.115 1.00 1.00 H new ATOM 892 N SER A 52 -6.119 -5.481 -3.402 1.00 1.00 N ATOM 893 CA SER A 52 -6.786 -5.931 -4.605 1.00 1.00 C ATOM 894 C SER A 52 -6.443 -7.387 -4.884 1.00 1.00 C ATOM 895 O SER A 52 -5.317 -7.829 -4.644 1.00 1.00 O ATOM 896 CB SER A 52 -6.367 -5.057 -5.783 1.00 1.00 C ATOM 897 OG SER A 52 -6.514 -3.682 -5.466 1.00 1.00 O ATOM 0 H SER A 52 -5.173 -5.129 -3.550 1.00 1.00 H new ATOM 0 HA SER A 52 -7.864 -5.849 -4.466 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.330 -5.266 -6.046 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.972 -5.301 -6.656 1.00 1.00 H new ATOM 0 HG SER A 52 -5.644 -3.236 -5.533 1.00 1.00 H new ATOM 903 N ASP A 53 -7.409 -8.127 -5.393 1.00 1.00 N ATOM 904 CA ASP A 53 -7.207 -9.530 -5.718 1.00 1.00 C ATOM 905 C ASP A 53 -8.037 -9.888 -6.941 1.00 1.00 C ATOM 906 O ASP A 53 -8.956 -9.152 -7.302 1.00 1.00 O ATOM 907 CB ASP A 53 -7.601 -10.417 -4.530 1.00 1.00 C ATOM 908 CG ASP A 53 -7.216 -11.872 -4.730 1.00 1.00 C ATOM 909 OD1 ASP A 53 -6.087 -12.250 -4.352 1.00 1.00 O ATOM 910 OD2 ASP A 53 -8.033 -12.643 -5.267 1.00 1.00 O ATOM 0 H ASP A 53 -8.347 -7.780 -5.592 1.00 1.00 H new ATOM 0 HA ASP A 53 -6.152 -9.699 -5.935 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -7.122 -10.040 -3.626 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -8.677 -10.349 -4.373 1.00 1.00 H new ATOM 915 N ASP A 54 -7.708 -11.002 -7.583 1.00 1.00 N ATOM 916 CA ASP A 54 -8.484 -11.480 -8.722 1.00 1.00 C ATOM 917 C ASP A 54 -9.914 -11.773 -8.285 1.00 1.00 C ATOM 918 O ASP A 54 -10.867 -11.578 -9.042 1.00 1.00 O ATOM 919 CB ASP A 54 -7.845 -12.736 -9.318 1.00 1.00 C ATOM 920 CG ASP A 54 -8.574 -13.227 -10.553 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.448 -12.582 -11.618 1.00 1.00 O ATOM 922 OD2 ASP A 54 -9.262 -14.266 -10.475 1.00 1.00 O ATOM 0 H ASP A 54 -6.912 -11.590 -7.336 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.497 -10.705 -9.488 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -6.806 -12.526 -9.573 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -7.835 -13.526 -8.567 1.00 1.00 H new ATOM 927 N ASP A 55 -10.051 -12.221 -7.046 1.00 1.00 N ATOM 928 CA ASP A 55 -11.356 -12.470 -6.452 1.00 1.00 C ATOM 929 C ASP A 55 -11.884 -11.186 -5.819 1.00 1.00 C ATOM 930 O ASP A 55 -11.253 -10.625 -4.922 1.00 1.00 O ATOM 931 CB ASP A 55 -11.252 -13.573 -5.397 1.00 1.00 C ATOM 932 CG ASP A 55 -12.594 -13.946 -4.803 1.00 1.00 C ATOM 933 OD1 ASP A 55 -13.077 -13.224 -3.910 1.00 1.00 O ATOM 934 OD2 ASP A 55 -13.163 -14.978 -5.219 1.00 1.00 O ATOM 0 H ASP A 55 -9.265 -12.421 -6.427 1.00 1.00 H new ATOM 0 HA ASP A 55 -12.047 -12.796 -7.230 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -10.800 -14.457 -5.846 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -10.585 -13.245 -4.599 1.00 1.00 H new ATOM 939 N PRO A 56 -13.053 -10.709 -6.274 1.00 1.00 N ATOM 940 CA PRO A 56 -13.618 -9.427 -5.829 1.00 1.00 C ATOM 941 C PRO A 56 -14.002 -9.420 -4.350 1.00 1.00 C ATOM 942 O PRO A 56 -14.119 -8.357 -3.735 1.00 1.00 O ATOM 943 CB PRO A 56 -14.865 -9.260 -6.705 1.00 1.00 C ATOM 944 CG PRO A 56 -15.221 -10.642 -7.132 1.00 1.00 C ATOM 945 CD PRO A 56 -13.919 -11.381 -7.258 1.00 1.00 C ATOM 0 HA PRO A 56 -12.893 -8.619 -5.929 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.680 -8.796 -6.149 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.662 -8.621 -7.564 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -15.873 -11.121 -6.402 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.758 -10.632 -8.080 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -14.035 -12.442 -7.034 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.512 -11.311 -8.267 1.00 1.00 H new ATOM 953 N LYS A 57 -14.187 -10.603 -3.778 1.00 1.00 N ATOM 954 CA LYS A 57 -14.600 -10.718 -2.387 1.00 1.00 C ATOM 955 C LYS A 57 -13.381 -10.818 -1.478 1.00 1.00 C ATOM 956 O LYS A 57 -13.491 -10.702 -0.258 1.00 1.00 O ATOM 957 CB LYS A 57 -15.504 -11.937 -2.196 1.00 1.00 C ATOM 958 CG LYS A 57 -16.748 -11.914 -3.069 1.00 1.00 C ATOM 959 CD LYS A 57 -17.624 -13.133 -2.831 1.00 1.00 C ATOM 960 CE LYS A 57 -18.873 -13.105 -3.701 1.00 1.00 C ATOM 961 NZ LYS A 57 -19.708 -11.901 -3.439 1.00 1.00 N ATOM 0 H LYS A 57 -14.058 -11.495 -4.256 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.162 -9.823 -2.120 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -14.934 -12.840 -2.414 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -15.805 -11.995 -1.150 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.320 -11.009 -2.864 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.456 -11.875 -4.118 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.054 -14.038 -3.041 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -17.913 -13.175 -1.781 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -18.583 -13.124 -4.752 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.463 -14.003 -3.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -20.648 -12.031 -3.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -19.808 -11.765 -2.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.252 -11.065 -3.856 1.00 1.00 H new ATOM 975 N LYS A 58 -12.220 -11.045 -2.077 1.00 1.00 N ATOM 976 CA LYS A 58 -10.971 -11.077 -1.329 1.00 1.00 C ATOM 977 C LYS A 58 -10.374 -9.680 -1.224 1.00 1.00 C ATOM 978 O LYS A 58 -9.394 -9.461 -0.508 1.00 1.00 O ATOM 979 CB LYS A 58 -9.969 -12.036 -1.974 1.00 1.00 C ATOM 980 CG LYS A 58 -10.270 -13.502 -1.708 1.00 1.00 C ATOM 981 CD LYS A 58 -9.281 -14.419 -2.419 1.00 1.00 C ATOM 982 CE LYS A 58 -7.841 -14.133 -2.014 1.00 1.00 C ATOM 983 NZ LYS A 58 -6.875 -15.025 -2.711 1.00 1.00 N ATOM 0 H LYS A 58 -12.117 -11.210 -3.078 1.00 1.00 H new ATOM 0 HA LYS A 58 -11.191 -11.439 -0.325 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -9.958 -11.866 -3.051 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -8.970 -11.806 -1.604 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -10.236 -13.692 -0.635 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -11.283 -13.732 -2.040 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -9.522 -15.457 -2.191 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -9.385 -14.297 -3.497 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -7.601 -13.094 -2.239 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -7.736 -14.258 -0.936 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -5.908 -14.795 -2.405 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -7.086 -16.016 -2.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -6.955 -14.888 -3.739 1.00 1.00 H new ATOM 997 N GLY A 59 -10.967 -8.741 -1.951 1.00 1.00 N ATOM 998 CA GLY A 59 -10.548 -7.361 -1.863 1.00 1.00 C ATOM 999 C GLY A 59 -10.977 -6.737 -0.552 1.00 1.00 C ATOM 1000 O GLY A 59 -12.171 -6.543 -0.313 1.00 1.00 O ATOM 0 H GLY A 59 -11.733 -8.915 -2.601 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.464 -7.301 -1.959 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.973 -6.796 -2.693 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.013 -6.431 0.301 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.312 -5.940 1.639 1.00 1.00 C ATOM 1006 C ILE A 60 -9.549 -4.658 1.951 1.00 1.00 C ATOM 1007 O ILE A 60 -8.459 -4.426 1.425 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.973 -6.996 2.718 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.501 -7.418 2.613 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.893 -8.204 2.589 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.084 -8.446 3.645 1.00 1.00 C ATOM 0 H ILE A 60 -9.018 -6.513 0.093 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.382 -5.734 1.658 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.130 -6.551 3.700 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.319 -7.822 1.617 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.871 -6.535 2.719 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.641 -8.937 3.355 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.928 -7.888 2.716 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.769 -8.652 1.603 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.032 -8.694 3.507 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.233 -8.039 4.645 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.687 -9.346 3.526 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.135 -3.826 2.798 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.468 -2.626 3.276 1.00 1.00 C ATOM 1025 C TRP A 61 -8.582 -2.974 4.464 1.00 1.00 C ATOM 1026 O TRP A 61 -9.058 -3.514 5.464 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.490 -1.560 3.670 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.212 -0.972 2.502 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.421 -1.361 2.020 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.771 0.107 1.673 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.770 -0.587 0.938 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.772 0.323 0.707 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.633 0.914 1.655 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.664 1.313 -0.266 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.529 1.895 0.686 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.537 2.087 -0.257 1.00 1.00 C ATOM 0 H TRP A 61 -11.075 -3.961 3.170 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.851 -2.222 2.473 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.217 -1.999 4.354 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.982 -0.763 4.213 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.021 -2.162 2.427 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.630 -0.676 0.397 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.848 0.775 2.384 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.441 1.464 -1.000 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.651 2.523 0.660 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.425 2.865 -0.998 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.299 -2.677 4.350 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.337 -3.064 5.371 1.00 1.00 C ATOM 1049 C LEU A 62 -6.450 -2.158 6.591 1.00 1.00 C ATOM 1050 O LEU A 62 -6.688 -0.955 6.464 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.912 -3.023 4.818 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.683 -3.805 3.520 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.195 -3.940 3.246 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -5.343 -5.175 3.580 1.00 1.00 C ATOM 0 H LEU A 62 -6.898 -2.169 3.561 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.564 -4.086 5.674 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.637 -1.982 4.647 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.235 -3.411 5.579 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.142 -3.250 2.702 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.044 -4.497 2.321 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.752 -2.949 3.149 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.720 -4.471 4.071 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.164 -5.707 2.645 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.923 -5.745 4.408 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.416 -5.056 3.729 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.285 -2.745 7.767 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.389 -2.006 9.015 1.00 1.00 C ATOM 1068 C GLU A 63 -5.052 -1.380 9.389 1.00 1.00 C ATOM 1069 O GLU A 63 -4.016 -2.037 9.331 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.855 -2.932 10.135 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.250 -3.492 9.925 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.621 -4.512 10.976 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.840 -4.121 12.141 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.686 -5.713 10.643 1.00 1.00 O ATOM 0 H GLU A 63 -6.077 -3.737 7.882 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.119 -1.208 8.878 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -6.151 -3.759 10.226 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.830 -2.387 11.079 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.973 -2.677 9.942 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.310 -3.951 8.938 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.096 -0.114 9.788 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.902 0.632 10.183 1.00 1.00 C ATOM 1083 C ALA A 64 -3.117 -0.093 11.271 1.00 1.00 C ATOM 1084 O ALA A 64 -1.887 -0.064 11.277 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.302 2.016 10.667 1.00 1.00 C ATOM 0 H ALA A 64 -5.959 0.426 9.848 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.255 0.718 9.310 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.411 2.570 10.961 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -4.812 2.549 9.865 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -4.970 1.923 11.523 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.832 -0.752 12.177 1.00 1.00 N ATOM 1092 CA GLY A 65 -3.186 -1.445 13.278 1.00 1.00 C ATOM 1093 C GLY A 65 -2.539 -2.758 12.867 1.00 1.00 C ATOM 1094 O GLY A 65 -2.005 -3.483 13.707 1.00 1.00 O ATOM 0 H GLY A 65 -4.850 -0.819 12.169 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.427 -0.794 13.712 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.923 -1.640 14.058 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.583 -3.068 11.580 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.946 -4.270 11.066 1.00 1.00 C ATOM 1100 C LYS A 66 -0.734 -3.887 10.224 1.00 1.00 C ATOM 1101 O LYS A 66 -0.548 -2.715 9.886 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.926 -5.092 10.221 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.255 -5.388 10.904 1.00 1.00 C ATOM 1104 CD LYS A 66 -4.078 -6.151 12.206 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.422 -6.539 12.803 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.284 -7.105 14.170 1.00 1.00 N ATOM 0 H LYS A 66 -3.053 -2.503 10.873 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.628 -4.880 11.911 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.121 -4.558 9.291 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.452 -6.036 9.953 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.775 -4.451 11.103 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.886 -5.966 10.230 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.484 -7.047 12.027 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.524 -5.538 12.917 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -6.069 -5.663 12.838 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -5.908 -7.269 12.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.224 -7.356 14.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.688 -7.956 14.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -4.844 -6.400 14.795 1.00 1.00 H new ATOM 1120 N ALA A 67 0.093 -4.866 9.896 1.00 1.00 N ATOM 1121 CA ALA A 67 1.252 -4.634 9.049 1.00 1.00 C ATOM 1122 C ALA A 67 0.997 -5.171 7.645 1.00 1.00 C ATOM 1123 O ALA A 67 -0.008 -5.837 7.399 1.00 1.00 O ATOM 1124 CB ALA A 67 2.488 -5.281 9.655 1.00 1.00 C ATOM 0 H ALA A 67 -0.017 -5.832 10.204 1.00 1.00 H new ATOM 0 HA ALA A 67 1.426 -3.560 8.980 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.347 -5.099 9.010 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.677 -4.854 10.640 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.327 -6.355 9.750 1.00 1.00 H new ATOM 1130 N LEU A 68 1.905 -4.880 6.727 1.00 1.00 N ATOM 1131 CA LEU A 68 1.773 -5.346 5.351 1.00 1.00 C ATOM 1132 C LEU A 68 2.031 -6.848 5.252 1.00 1.00 C ATOM 1133 O LEU A 68 1.386 -7.549 4.470 1.00 1.00 O ATOM 1134 CB LEU A 68 2.727 -4.578 4.439 1.00 1.00 C ATOM 1135 CG LEU A 68 2.490 -3.069 4.389 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.469 -2.414 3.434 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.058 -2.759 3.978 1.00 1.00 C ATOM 0 H LEU A 68 2.741 -4.324 6.907 1.00 1.00 H new ATOM 0 HA LEU A 68 0.750 -5.160 5.026 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.749 -4.760 4.770 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.643 -4.979 3.429 1.00 1.00 H new ATOM 0 HG LEU A 68 2.652 -2.664 5.388 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.289 -1.339 3.408 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.488 -2.603 3.771 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.335 -2.828 2.435 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.913 -1.679 3.949 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.864 -3.177 2.990 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.369 -3.198 4.700 1.00 1.00 H new ATOM 1149 N ASP A 69 2.961 -7.346 6.063 1.00 1.00 N ATOM 1150 CA ASP A 69 3.288 -8.771 6.066 1.00 1.00 C ATOM 1151 C ASP A 69 2.142 -9.568 6.681 1.00 1.00 C ATOM 1152 O ASP A 69 1.993 -10.767 6.434 1.00 1.00 O ATOM 1153 CB ASP A 69 4.585 -9.029 6.843 1.00 1.00 C ATOM 1154 CG ASP A 69 4.369 -9.146 8.342 1.00 1.00 C ATOM 1155 OD1 ASP A 69 3.976 -8.145 8.976 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.591 -10.246 8.889 1.00 1.00 O ATOM 0 H ASP A 69 3.500 -6.787 6.724 1.00 1.00 H new ATOM 0 HA ASP A 69 3.435 -9.093 5.035 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.045 -9.946 6.476 1.00 1.00 H new ATOM 0 HB3 ASP A 69 5.287 -8.219 6.645 1.00 1.00 H new ATOM 1161 N TYR A 70 1.332 -8.875 7.471 1.00 1.00 N ATOM 1162 CA TYR A 70 0.168 -9.461 8.123 1.00 1.00 C ATOM 1163 C TYR A 70 -0.781 -10.046 7.085 1.00 1.00 C ATOM 1164 O TYR A 70 -1.323 -11.135 7.259 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.552 -8.378 8.931 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.636 -8.885 9.855 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.940 -9.064 9.407 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -1.356 -9.165 11.184 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.932 -9.508 10.259 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -2.341 -9.613 12.041 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.626 -9.782 11.575 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.609 -10.220 12.431 1.00 1.00 O ATOM 0 H TYR A 70 1.465 -7.885 7.679 1.00 1.00 H new ATOM 0 HA TYR A 70 0.493 -10.262 8.787 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.186 -7.837 9.523 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.992 -7.661 8.238 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -3.181 -8.852 8.376 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -0.351 -9.030 11.555 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -4.941 -9.640 9.897 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -2.105 -9.830 13.072 1.00 1.00 H new ATOM 0 HH TYR A 70 -4.226 -10.368 13.321 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.957 -9.312 5.998 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.888 -9.698 4.948 1.00 1.00 C ATOM 1184 C TYR A 71 -1.190 -10.508 3.857 1.00 1.00 C ATOM 1185 O TYR A 71 -1.739 -10.705 2.771 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.538 -8.450 4.357 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.414 -7.707 5.339 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.702 -8.144 5.620 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.953 -6.565 5.981 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.507 -7.463 6.514 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.751 -5.880 6.875 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.026 -6.332 7.138 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.824 -5.649 8.026 1.00 1.00 O ATOM 0 H TYR A 71 -0.463 -8.438 5.818 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.659 -10.333 5.385 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.758 -7.779 3.997 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -3.136 -8.736 3.492 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.081 -9.030 5.132 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.954 -6.207 5.778 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.507 -7.815 6.722 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.378 -4.994 7.366 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.440 -6.275 8.461 1.00 1.00 H new ATOM 1203 N MET A 72 0.024 -10.973 4.165 1.00 1.00 N ATOM 1204 CA MET A 72 0.788 -11.855 3.276 1.00 1.00 C ATOM 1205 C MET A 72 1.134 -11.172 1.955 1.00 1.00 C ATOM 1206 O MET A 72 1.305 -11.833 0.932 1.00 1.00 O ATOM 1207 CB MET A 72 0.011 -13.151 3.010 1.00 1.00 C ATOM 1208 CG MET A 72 -0.308 -13.940 4.270 1.00 1.00 C ATOM 1209 SD MET A 72 -1.273 -15.427 3.936 1.00 1.00 S ATOM 1210 CE MET A 72 -1.524 -16.042 5.600 1.00 1.00 C ATOM 0 H MET A 72 0.505 -10.749 5.036 1.00 1.00 H new ATOM 0 HA MET A 72 1.724 -12.093 3.782 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.920 -12.908 2.498 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.591 -13.780 2.335 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.623 -14.219 4.764 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.858 -13.303 4.963 1.00 1.00 H new ATOM 0 HE1 MET A 72 -2.107 -16.962 5.564 1.00 1.00 H new ATOM 0 HE2 MET A 72 -0.558 -16.243 6.063 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.060 -15.296 6.187 1.00 1.00 H new ATOM 1220 N LEU A 73 1.266 -9.851 1.986 1.00 1.00 N ATOM 1221 CA LEU A 73 1.606 -9.085 0.790 1.00 1.00 C ATOM 1222 C LEU A 73 3.039 -9.376 0.355 1.00 1.00 C ATOM 1223 O LEU A 73 3.897 -9.656 1.194 1.00 1.00 O ATOM 1224 CB LEU A 73 1.435 -7.587 1.053 1.00 1.00 C ATOM 1225 CG LEU A 73 0.043 -7.168 1.528 1.00 1.00 C ATOM 1226 CD1 LEU A 73 -0.018 -5.665 1.739 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -1.015 -7.611 0.532 1.00 1.00 C ATOM 0 H LEU A 73 1.143 -9.286 2.827 1.00 1.00 H new ATOM 0 HA LEU A 73 0.931 -9.384 -0.011 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.165 -7.279 1.801 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.669 -7.044 0.137 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.157 -7.657 2.482 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -1.016 -5.385 2.077 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.715 -5.373 2.491 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.203 -5.157 0.801 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.999 -7.304 0.886 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.818 -7.151 -0.436 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.988 -8.696 0.431 1.00 1.00 H new ATOM 1239 N ARG A 74 3.286 -9.326 -0.949 1.00 1.00 N ATOM 1240 CA ARG A 74 4.617 -9.572 -1.494 1.00 1.00 C ATOM 1241 C ARG A 74 4.852 -8.753 -2.755 1.00 1.00 C ATOM 1242 O ARG A 74 3.980 -8.003 -3.197 1.00 1.00 O ATOM 1243 CB ARG A 74 4.814 -11.055 -1.821 1.00 1.00 C ATOM 1244 CG ARG A 74 5.180 -11.911 -0.624 1.00 1.00 C ATOM 1245 CD ARG A 74 5.402 -13.356 -1.032 1.00 1.00 C ATOM 1246 NE ARG A 74 5.896 -14.167 0.076 1.00 1.00 N ATOM 1247 CZ ARG A 74 5.511 -15.419 0.312 1.00 1.00 C ATOM 1248 NH1 ARG A 74 4.619 -16.010 -0.472 1.00 1.00 N ATOM 1249 NH2 ARG A 74 6.020 -16.084 1.336 1.00 1.00 N ATOM 0 H ARG A 74 2.578 -9.116 -1.652 1.00 1.00 H new ATOM 0 HA ARG A 74 5.335 -9.273 -0.731 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.897 -11.443 -2.264 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.597 -11.149 -2.574 1.00 1.00 H new ATOM 0 HG2 ARG A 74 6.083 -11.519 -0.156 1.00 1.00 H new ATOM 0 HG3 ARG A 74 4.386 -11.858 0.121 1.00 1.00 H new ATOM 0 HD2 ARG A 74 4.466 -13.777 -1.400 1.00 1.00 H new ATOM 0 HD3 ARG A 74 6.115 -13.395 -1.856 1.00 1.00 H new ATOM 0 HE ARG A 74 6.578 -13.749 0.708 1.00 1.00 H new ATOM 0 HH11 ARG A 74 4.222 -15.505 -1.264 1.00 1.00 H new ATOM 0 HH12 ARG A 74 4.330 -16.970 -0.283 1.00 1.00 H new ATOM 0 HH21 ARG A 74 6.707 -15.637 1.944 1.00 1.00 H new ATOM 0 HH22 ARG A 74 5.726 -17.044 1.518 1.00 1.00 H new ATOM 1263 N ASN A 75 6.045 -8.902 -3.319 1.00 1.00 N ATOM 1264 CA ASN A 75 6.393 -8.260 -4.580 1.00 1.00 C ATOM 1265 C ASN A 75 5.497 -8.760 -5.708 1.00 1.00 C ATOM 1266 O ASN A 75 5.470 -9.954 -6.012 1.00 1.00 O ATOM 1267 CB ASN A 75 7.860 -8.536 -4.927 1.00 1.00 C ATOM 1268 CG ASN A 75 8.256 -7.993 -6.290 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.735 -6.978 -6.748 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.181 -8.669 -6.950 1.00 1.00 N ATOM 0 H ASN A 75 6.793 -9.467 -2.918 1.00 1.00 H new ATOM 0 HA ASN A 75 6.245 -7.186 -4.466 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.499 -8.091 -4.164 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.038 -9.611 -4.904 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.484 -8.352 -7.871 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.591 -9.507 -6.538 1.00 1.00 H new ATOM 1277 N GLY A 76 4.762 -7.845 -6.315 1.00 1.00 N ATOM 1278 CA GLY A 76 3.916 -8.199 -7.438 1.00 1.00 C ATOM 1279 C GLY A 76 2.442 -7.993 -7.154 1.00 1.00 C ATOM 1280 O GLY A 76 1.630 -7.929 -8.078 1.00 1.00 O ATOM 0 H GLY A 76 4.734 -6.860 -6.051 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.201 -7.601 -8.304 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.088 -9.243 -7.701 1.00 1.00 H new ATOM 1284 N ASP A 77 2.094 -7.888 -5.876 1.00 1.00 N ATOM 1285 CA ASP A 77 0.705 -7.672 -5.477 1.00 1.00 C ATOM 1286 C ASP A 77 0.222 -6.293 -5.901 1.00 1.00 C ATOM 1287 O ASP A 77 1.021 -5.407 -6.193 1.00 1.00 O ATOM 1288 CB ASP A 77 0.533 -7.836 -3.962 1.00 1.00 C ATOM 1289 CG ASP A 77 0.423 -9.284 -3.535 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.689 -9.850 -3.628 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.441 -9.867 -3.108 1.00 1.00 O ATOM 0 H ASP A 77 2.752 -7.949 -5.099 1.00 1.00 H new ATOM 0 HA ASP A 77 0.102 -8.426 -5.982 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.380 -7.376 -3.453 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.360 -7.299 -3.643 1.00 1.00 H new ATOM 1296 N THR A 78 -1.087 -6.120 -5.945 1.00 1.00 N ATOM 1297 CA THR A 78 -1.680 -4.840 -6.289 1.00 1.00 C ATOM 1298 C THR A 78 -2.572 -4.363 -5.151 1.00 1.00 C ATOM 1299 O THR A 78 -3.405 -5.116 -4.646 1.00 1.00 O ATOM 1300 CB THR A 78 -2.503 -4.934 -7.592 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.680 -5.471 -8.639 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.040 -3.565 -8.010 1.00 1.00 C ATOM 0 H THR A 78 -1.764 -6.856 -5.745 1.00 1.00 H new ATOM 0 HA THR A 78 -0.873 -4.125 -6.449 1.00 1.00 H new ATOM 0 HB THR A 78 -3.354 -5.591 -7.413 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.202 -5.533 -9.466 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.615 -3.665 -8.931 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.682 -3.170 -7.223 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.207 -2.882 -8.175 1.00 1.00 H new ATOM 1310 N MET A 79 -2.377 -3.129 -4.731 1.00 1.00 N ATOM 1311 CA MET A 79 -3.182 -2.560 -3.674 1.00 1.00 C ATOM 1312 C MET A 79 -3.588 -1.147 -4.041 1.00 1.00 C ATOM 1313 O MET A 79 -2.760 -0.344 -4.468 1.00 1.00 O ATOM 1314 CB MET A 79 -2.411 -2.567 -2.358 1.00 1.00 C ATOM 1315 CG MET A 79 -3.238 -2.137 -1.162 1.00 1.00 C ATOM 1316 SD MET A 79 -2.398 -2.443 0.396 1.00 1.00 S ATOM 1317 CE MET A 79 -0.882 -1.534 0.140 1.00 1.00 C ATOM 0 H MET A 79 -1.666 -2.502 -5.108 1.00 1.00 H new ATOM 0 HA MET A 79 -4.081 -3.164 -3.549 1.00 1.00 H new ATOM 0 HB2 MET A 79 -2.025 -3.571 -2.179 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.549 -1.906 -2.449 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.468 -1.075 -1.245 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.189 -2.670 -1.170 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.391 -1.368 1.099 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.221 -2.105 -0.512 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.108 -0.573 -0.323 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.859 -0.851 -3.887 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.369 0.459 -4.222 1.00 1.00 C ATOM 1329 C GLU A 80 -5.345 1.375 -3.014 1.00 1.00 C ATOM 1330 O GLU A 80 -6.163 1.237 -2.105 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.796 0.366 -4.761 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.903 -0.331 -6.103 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.296 -0.246 -6.684 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.793 0.883 -6.879 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.894 -1.304 -6.971 1.00 1.00 O ATOM 0 H GLU A 80 -5.560 -1.501 -3.531 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.723 0.874 -4.995 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.413 -0.165 -4.037 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.206 1.372 -4.852 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.193 0.116 -6.799 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.622 -1.378 -5.990 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.389 2.284 -2.980 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.448 3.365 -2.016 1.00 1.00 C ATOM 1344 C TYR A 81 -5.374 4.434 -2.569 1.00 1.00 C ATOM 1345 O TYR A 81 -5.019 5.165 -3.493 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.067 3.950 -1.694 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.145 5.259 -0.941 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.470 5.300 0.410 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.921 6.457 -1.598 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.561 6.507 1.082 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.015 7.659 -0.938 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.334 7.684 0.402 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.440 8.895 1.055 1.00 1.00 O ATOM 0 H TYR A 81 -3.577 2.297 -3.597 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.829 2.974 -1.073 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.501 3.230 -1.103 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.517 4.103 -2.623 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.654 4.378 0.942 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.668 6.447 -2.648 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.808 6.526 2.133 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.839 8.583 -1.469 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.498 9.618 0.396 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.569 4.495 -2.018 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.605 5.356 -2.554 1.00 1.00 C ATOM 1365 C ARG A 82 -8.516 5.857 -1.448 1.00 1.00 C ATOM 1366 O ARG A 82 -8.425 5.413 -0.300 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.418 4.595 -3.606 1.00 1.00 C ATOM 1368 CG ARG A 82 -8.941 3.254 -3.110 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.695 2.499 -4.193 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.933 3.174 -4.580 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.651 2.861 -5.660 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.217 1.939 -6.513 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -12.794 3.488 -5.892 1.00 1.00 N ATOM 0 H ARG A 82 -6.848 3.957 -1.197 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.132 6.220 -3.021 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.260 5.212 -3.920 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -7.797 4.431 -4.487 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.106 2.647 -2.759 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.599 3.415 -2.256 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.055 2.388 -5.068 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.927 1.495 -3.839 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.269 3.932 -3.986 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.330 1.465 -6.344 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.771 1.705 -7.337 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.122 4.207 -5.246 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.347 3.252 -6.716 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.380 6.793 -1.803 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.369 7.328 -0.886 1.00 1.00 C ATOM 1389 C LYS A 83 -11.355 6.235 -0.497 1.00 1.00 C ATOM 1390 O LYS A 83 -12.057 5.689 -1.349 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.098 8.498 -1.552 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.138 9.168 -0.676 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.791 10.329 -1.405 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.803 11.046 -0.533 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.377 12.231 -1.223 1.00 1.00 N ATOM 0 H LYS A 83 -9.415 7.203 -2.736 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.877 7.687 0.018 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.362 9.243 -1.856 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.582 8.139 -2.460 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.897 8.442 -0.385 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.671 9.526 0.242 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.024 11.034 -1.726 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.283 9.962 -2.306 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.604 10.358 -0.263 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.326 11.360 0.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.065 12.697 -0.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -13.615 12.899 -1.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.853 11.927 -2.096 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.395 5.906 0.784 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.244 4.828 1.255 1.00 1.00 C ATOM 1411 C LYS A 84 -13.613 5.360 1.646 1.00 1.00 C ATOM 1412 O LYS A 84 -13.729 6.343 2.384 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.592 4.084 2.427 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.291 4.950 3.641 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.700 4.123 4.773 1.00 1.00 C ATOM 1416 CE LYS A 84 -11.629 2.985 5.170 1.00 1.00 C ATOM 1417 NZ LYS A 84 -11.088 2.187 6.301 1.00 1.00 N ATOM 0 H LYS A 84 -10.851 6.369 1.512 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.372 4.116 0.439 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.248 3.269 2.733 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.663 3.632 2.081 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.595 5.741 3.363 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.206 5.435 3.981 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.736 3.718 4.465 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -10.516 4.763 5.636 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -12.601 3.392 5.447 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -11.789 2.333 4.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -11.754 1.424 6.537 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -10.172 1.776 6.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.959 2.802 7.130 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.646 4.718 1.135 1.00 1.00 N ATOM 1432 CA GLN A 85 -16.012 5.134 1.392 1.00 1.00 C ATOM 1433 C GLN A 85 -16.898 3.909 1.545 1.00 1.00 C ATOM 1434 O GLN A 85 -17.147 3.501 2.695 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.512 6.030 0.255 1.00 1.00 C ATOM 1436 CG GLN A 85 -17.937 6.528 0.441 1.00 1.00 C ATOM 1437 CD GLN A 85 -18.334 7.544 -0.609 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -18.842 7.194 -1.674 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.109 8.814 -0.314 1.00 1.00 N ATOM 1440 OXT GLN A 85 -17.305 3.330 0.515 1.00 1.00 O ATOM 0 H GLN A 85 -14.564 3.898 0.534 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.048 5.708 2.318 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -15.847 6.889 0.164 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.450 5.478 -0.683 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -18.623 5.682 0.402 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -18.037 6.974 1.431 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -17.686 9.063 0.580 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.359 9.544 -0.981 1.00 1.00 H new TER 1449 GLN A 85