USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= -0.161 USER MOD Set 1.2: A 45 THR OG1 : rot 26:sc= 0.101 USER MOD Set 2.1: A 16 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-6.4!) USER MOD Set 2.2: A 38 TYR OH : rot -79:sc= 0.00805 USER MOD Set 3.1: A 11 SER OG : rot -77:sc= 0.256! USER MOD Set 3.2: A 13 HIS : no HE2:sc= -2.96! C(o=-2.7!,f=-16!) USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-0.00102) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0 (180deg=-0.00166) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.22! C(o=-2.2!,f=-9.9!) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.249! USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -0.0138 (180deg=-0.416) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -0.0643 (180deg=-0.713) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -1.43! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0733 K(o=-0.073,f=-3.2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.613 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.1) USER MOD Single : A 82 GLN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.763 11.603 -7.111 1.00 0.00 N ATOM 2 CA MET A 1 -8.373 10.381 -7.874 1.00 0.00 C ATOM 3 C MET A 1 -7.652 9.391 -6.956 1.00 0.00 C ATOM 4 O MET A 1 -6.459 9.483 -6.744 1.00 0.00 O ATOM 5 CB MET A 1 -7.431 10.881 -8.970 1.00 0.00 C ATOM 6 CG MET A 1 -8.250 11.314 -10.188 1.00 0.00 C ATOM 7 SD MET A 1 -8.889 9.848 -11.035 1.00 0.00 S ATOM 8 CE MET A 1 -7.444 9.539 -12.080 1.00 0.00 C ATOM 0 H1 MET A 1 -8.851 12.407 -7.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.674 11.440 -6.637 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.035 11.814 -6.399 1.00 0.00 H new ATOM 0 HA MET A 1 -9.237 9.859 -8.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.838 11.718 -8.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.731 10.094 -9.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.074 11.956 -9.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.630 11.899 -10.868 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.360 8.470 -12.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.555 10.075 -13.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.545 9.885 -11.570 1.00 0.00 H new ATOM 20 N VAL A 2 -8.366 8.445 -6.408 1.00 0.00 N ATOM 21 CA VAL A 2 -7.719 7.450 -5.504 1.00 0.00 C ATOM 22 C VAL A 2 -6.550 6.766 -6.220 1.00 0.00 C ATOM 23 O VAL A 2 -6.721 6.127 -7.239 1.00 0.00 O ATOM 24 CB VAL A 2 -8.818 6.439 -5.179 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.268 5.375 -4.229 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.990 7.161 -4.511 1.00 0.00 C ATOM 0 H VAL A 2 -9.368 8.318 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.312 7.911 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.158 5.963 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.052 4.654 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.431 4.862 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.928 5.850 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.775 6.442 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.648 7.636 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.382 7.921 -5.187 1.00 0.00 H new ATOM 36 N LYS A 3 -5.361 6.902 -5.699 1.00 0.00 N ATOM 37 CA LYS A 3 -4.180 6.266 -6.351 1.00 0.00 C ATOM 38 C LYS A 3 -3.224 5.692 -5.299 1.00 0.00 C ATOM 39 O LYS A 3 -2.763 6.397 -4.425 1.00 0.00 O ATOM 40 CB LYS A 3 -3.499 7.402 -7.114 1.00 0.00 C ATOM 41 CG LYS A 3 -3.836 7.297 -8.599 1.00 0.00 C ATOM 42 CD LYS A 3 -2.679 7.863 -9.421 1.00 0.00 C ATOM 43 CE LYS A 3 -2.837 7.442 -10.881 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.466 8.650 -11.670 1.00 0.00 N ATOM 0 H LYS A 3 -5.156 7.427 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.468 5.439 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.829 8.365 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.419 7.353 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.015 6.257 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.753 7.845 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.663 8.950 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.729 7.501 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.189 6.599 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.859 7.130 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.549 8.441 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.104 9.434 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.486 8.920 -11.452 1.00 0.00 H new ATOM 58 N ILE A 4 -2.902 4.428 -5.384 1.00 0.00 N ATOM 59 CA ILE A 4 -1.957 3.844 -4.396 1.00 0.00 C ATOM 60 C ILE A 4 -0.558 3.761 -5.023 1.00 0.00 C ATOM 61 O ILE A 4 -0.390 3.269 -6.121 1.00 0.00 O ATOM 62 CB ILE A 4 -2.517 2.463 -4.045 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.744 2.632 -3.147 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.461 1.637 -3.303 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.370 1.262 -2.873 1.00 0.00 C ATOM 0 H ILE A 4 -3.251 3.781 -6.091 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.860 4.447 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.793 1.946 -4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.458 3.107 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.472 3.287 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.871 0.657 -3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.583 1.515 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.177 2.150 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.244 1.383 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.671 0.804 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.642 0.622 -2.375 1.00 0.00 H new ATOM 77 N ARG A 5 0.444 4.254 -4.340 1.00 0.00 N ATOM 78 CA ARG A 5 1.822 4.218 -4.906 1.00 0.00 C ATOM 79 C ARG A 5 2.863 4.149 -3.787 1.00 0.00 C ATOM 80 O ARG A 5 2.535 3.920 -2.644 1.00 0.00 O ATOM 81 CB ARG A 5 1.963 5.522 -5.690 1.00 0.00 C ATOM 82 CG ARG A 5 1.813 6.709 -4.737 1.00 0.00 C ATOM 83 CD ARG A 5 3.145 7.455 -4.636 1.00 0.00 C ATOM 84 NE ARG A 5 3.125 8.432 -5.763 1.00 0.00 N ATOM 85 CZ ARG A 5 2.350 9.490 -5.723 1.00 0.00 C ATOM 86 NH1 ARG A 5 1.559 9.708 -4.701 1.00 0.00 N ATOM 87 NH2 ARG A 5 2.364 10.335 -6.719 1.00 0.00 N ATOM 0 H ARG A 5 0.365 4.679 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 5 1.982 3.342 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.934 5.559 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.206 5.572 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.034 7.381 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.504 6.361 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.242 7.962 -3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.989 6.770 -4.722 1.00 0.00 H new ATOM 0 HE ARG A 5 3.722 8.276 -6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.540 9.050 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.963 10.535 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.974 10.170 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.765 11.160 -6.696 1.00 0.00 H new ATOM 101 N LEU A 6 4.117 4.354 -4.104 1.00 0.00 N ATOM 102 CA LEU A 6 5.170 4.293 -3.046 1.00 0.00 C ATOM 103 C LEU A 6 5.360 5.662 -2.393 1.00 0.00 C ATOM 104 O LEU A 6 5.560 6.661 -3.055 1.00 0.00 O ATOM 105 CB LEU A 6 6.455 3.895 -3.776 1.00 0.00 C ATOM 106 CG LEU A 6 6.355 2.448 -4.250 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.666 2.037 -4.925 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.085 1.528 -3.058 1.00 0.00 C ATOM 0 H LEU A 6 4.455 4.560 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 6 4.901 3.590 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.620 4.555 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.312 4.011 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 6 5.535 2.362 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.593 1.003 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.854 2.686 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.486 2.129 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.015 0.496 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.900 1.615 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.148 1.816 -2.581 1.00 0.00 H new ATOM 120 N ALA A 7 5.300 5.707 -1.094 1.00 0.00 N ATOM 121 CA ALA A 7 5.476 7.000 -0.377 1.00 0.00 C ATOM 122 C ALA A 7 6.903 7.118 0.168 1.00 0.00 C ATOM 123 O ALA A 7 7.234 6.550 1.186 1.00 0.00 O ATOM 124 CB ALA A 7 4.473 6.925 0.765 1.00 0.00 C ATOM 0 H ALA A 7 5.136 4.899 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 7 5.317 7.866 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.526 7.839 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.467 6.813 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.706 6.069 1.398 1.00 0.00 H new ATOM 130 N ARG A 8 7.750 7.847 -0.506 1.00 0.00 N ATOM 131 CA ARG A 8 9.159 7.996 -0.038 1.00 0.00 C ATOM 132 C ARG A 8 9.233 8.821 1.253 1.00 0.00 C ATOM 133 O ARG A 8 8.799 9.955 1.302 1.00 0.00 O ATOM 134 CB ARG A 8 9.864 8.735 -1.175 1.00 0.00 C ATOM 135 CG ARG A 8 11.377 8.536 -1.062 1.00 0.00 C ATOM 136 CD ARG A 8 12.057 9.089 -2.319 1.00 0.00 C ATOM 137 NE ARG A 8 13.495 9.229 -1.951 1.00 0.00 N ATOM 138 CZ ARG A 8 14.298 9.991 -2.657 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.855 10.654 -3.698 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.553 10.091 -2.317 1.00 0.00 N ATOM 0 H ARG A 8 7.526 8.349 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 8 9.614 7.032 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.510 8.364 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.624 9.797 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.757 9.044 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.608 7.477 -0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.930 8.414 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.629 10.048 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 8 13.859 8.727 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.874 10.582 -3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.491 11.242 -4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.904 9.579 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.183 10.681 -2.860 1.00 0.00 H new ATOM 154 N PHE A 9 9.796 8.264 2.296 1.00 0.00 N ATOM 155 CA PHE A 9 9.915 9.026 3.580 1.00 0.00 C ATOM 156 C PHE A 9 11.386 9.288 3.903 1.00 0.00 C ATOM 157 O PHE A 9 11.832 10.416 3.970 1.00 0.00 O ATOM 158 CB PHE A 9 9.329 8.132 4.678 1.00 0.00 C ATOM 159 CG PHE A 9 8.057 7.475 4.223 1.00 0.00 C ATOM 160 CD1 PHE A 9 6.885 8.221 4.067 1.00 0.00 C ATOM 161 CD2 PHE A 9 8.053 6.105 3.982 1.00 0.00 C ATOM 162 CE1 PHE A 9 5.712 7.583 3.669 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.889 5.471 3.583 1.00 0.00 C ATOM 164 CZ PHE A 9 5.719 6.207 3.430 1.00 0.00 C ATOM 0 H PHE A 9 10.177 7.318 2.316 1.00 0.00 H new ATOM 0 HA PHE A 9 9.396 9.982 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.056 7.369 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.135 8.727 5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.889 9.285 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.961 5.534 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.801 8.150 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.889 4.408 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.810 5.711 3.124 1.00 0.00 H new ATOM 174 N GLY A 10 12.138 8.241 4.122 1.00 0.00 N ATOM 175 CA GLY A 10 13.580 8.397 4.467 1.00 0.00 C ATOM 176 C GLY A 10 14.259 9.359 3.490 1.00 0.00 C ATOM 177 O GLY A 10 14.377 9.082 2.313 1.00 0.00 O ATOM 0 H GLY A 10 11.810 7.276 4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.679 8.773 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.075 7.427 4.436 1.00 0.00 H new ATOM 181 N SER A 11 14.714 10.484 3.969 1.00 0.00 N ATOM 182 CA SER A 11 15.392 11.455 3.064 1.00 0.00 C ATOM 183 C SER A 11 16.675 10.833 2.501 1.00 0.00 C ATOM 184 O SER A 11 16.832 10.692 1.304 1.00 0.00 O ATOM 185 CB SER A 11 15.712 12.671 3.943 1.00 0.00 C ATOM 186 OG SER A 11 16.867 12.409 4.723 1.00 0.00 O ATOM 0 H SER A 11 14.646 10.773 4.945 1.00 0.00 H new ATOM 0 HA SER A 11 14.772 11.733 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.875 13.550 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.866 12.894 4.593 1.00 0.00 H new ATOM 0 HG SER A 11 16.630 11.823 5.472 1.00 0.00 H new ATOM 192 N LYS A 12 17.586 10.458 3.356 1.00 0.00 N ATOM 193 CA LYS A 12 18.863 9.841 2.881 1.00 0.00 C ATOM 194 C LYS A 12 19.348 8.823 3.911 1.00 0.00 C ATOM 195 O LYS A 12 20.420 8.955 4.468 1.00 0.00 O ATOM 196 CB LYS A 12 19.871 10.996 2.779 1.00 0.00 C ATOM 197 CG LYS A 12 19.223 12.217 2.120 1.00 0.00 C ATOM 198 CD LYS A 12 20.313 13.176 1.635 1.00 0.00 C ATOM 199 CE LYS A 12 19.980 13.649 0.219 1.00 0.00 C ATOM 200 NZ LYS A 12 19.127 14.855 0.409 1.00 0.00 N ATOM 0 H LYS A 12 17.503 10.552 4.368 1.00 0.00 H new ATOM 0 HA LYS A 12 18.739 9.328 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.232 11.261 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.738 10.680 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.601 11.903 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.569 12.723 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.387 14.030 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.282 12.678 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.884 13.889 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.453 12.877 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.857 15.239 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.271 14.595 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.657 15.575 0.940 1.00 0.00 H new ATOM 214 N HIS A 13 18.562 7.821 4.190 1.00 0.00 N ATOM 215 CA HIS A 13 18.987 6.817 5.213 1.00 0.00 C ATOM 216 C HIS A 13 18.525 5.418 4.796 1.00 0.00 C ATOM 217 O HIS A 13 19.322 4.549 4.501 1.00 0.00 O ATOM 218 CB HIS A 13 18.299 7.231 6.531 1.00 0.00 C ATOM 219 CG HIS A 13 18.131 8.730 6.590 1.00 0.00 C ATOM 220 ND1 HIS A 13 19.212 9.593 6.598 1.00 0.00 N ATOM 221 CD2 HIS A 13 17.015 9.527 6.598 1.00 0.00 C ATOM 222 CE1 HIS A 13 18.726 10.847 6.606 1.00 0.00 C ATOM 223 NE2 HIS A 13 17.393 10.861 6.612 1.00 0.00 N ATOM 0 H HIS A 13 17.652 7.652 3.761 1.00 0.00 H new ATOM 0 HA HIS A 13 20.071 6.790 5.321 1.00 0.00 H new ATOM 0 HB2 HIS A 13 17.326 6.747 6.608 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.892 6.892 7.380 1.00 0.00 H new ATOM 0 HD1 HIS A 13 20.197 9.327 6.598 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.996 9.170 6.594 1.00 0.00 H new ATOM 0 HE1 HIS A 13 19.341 11.735 6.607 1.00 0.00 H new ATOM 231 N ASN A 14 17.238 5.203 4.765 1.00 0.00 N ATOM 232 CA ASN A 14 16.704 3.871 4.364 1.00 0.00 C ATOM 233 C ASN A 14 15.700 4.049 3.216 1.00 0.00 C ATOM 234 O ASN A 14 14.697 4.715 3.379 1.00 0.00 O ATOM 235 CB ASN A 14 16.006 3.337 5.615 1.00 0.00 C ATOM 236 CG ASN A 14 17.053 3.034 6.688 1.00 0.00 C ATOM 237 OD1 ASN A 14 18.017 3.758 6.833 1.00 0.00 O ATOM 238 ND2 ASN A 14 16.906 1.986 7.451 1.00 0.00 N ATOM 0 H ASN A 14 16.529 5.898 5.002 1.00 0.00 H new ATOM 0 HA ASN A 14 17.479 3.190 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.290 4.070 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.444 2.435 5.374 1.00 0.00 H new ATOM 0 HD21 ASN A 14 17.600 1.776 8.168 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.097 1.377 7.330 1.00 0.00 H new ATOM 245 N PRO A 15 16.002 3.463 2.082 1.00 0.00 N ATOM 246 CA PRO A 15 15.106 3.591 0.907 1.00 0.00 C ATOM 247 C PRO A 15 13.830 2.765 1.094 1.00 0.00 C ATOM 248 O PRO A 15 13.695 1.685 0.556 1.00 0.00 O ATOM 249 CB PRO A 15 15.942 3.043 -0.245 1.00 0.00 C ATOM 250 CG PRO A 15 16.929 2.120 0.396 1.00 0.00 C ATOM 251 CD PRO A 15 17.182 2.637 1.787 1.00 0.00 C ATOM 0 HA PRO A 15 14.774 4.616 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.320 2.515 -0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.445 3.846 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.540 1.102 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.855 2.089 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.287 1.821 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.100 3.222 1.834 1.00 0.00 H new ATOM 259 N HIS A 16 12.884 3.271 1.842 1.00 0.00 N ATOM 260 CA HIS A 16 11.615 2.514 2.046 1.00 0.00 C ATOM 261 C HIS A 16 10.408 3.407 1.769 1.00 0.00 C ATOM 262 O HIS A 16 10.273 4.482 2.315 1.00 0.00 O ATOM 263 CB HIS A 16 11.620 2.067 3.512 1.00 0.00 C ATOM 264 CG HIS A 16 11.603 3.269 4.417 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.434 3.961 4.728 1.00 0.00 N ATOM 266 CD2 HIS A 16 12.611 3.918 5.083 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.780 4.977 5.549 1.00 0.00 C ATOM 268 NE2 HIS A 16 12.091 4.992 5.795 1.00 0.00 N ATOM 0 H HIS A 16 12.935 4.172 2.318 1.00 0.00 H new ATOM 0 HA HIS A 16 11.548 1.663 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.752 1.439 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.504 1.462 3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 16 13.653 3.636 5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 16 10.080 5.691 5.957 1.00 0.00 H new ATOM 0 HE2 HIS A 16 12.603 5.652 6.381 1.00 0.00 H new ATOM 276 N TYR A 17 9.519 2.956 0.942 1.00 0.00 N ATOM 277 CA TYR A 17 8.307 3.744 0.655 1.00 0.00 C ATOM 278 C TYR A 17 7.117 2.939 1.122 1.00 0.00 C ATOM 279 O TYR A 17 7.151 1.728 1.070 1.00 0.00 O ATOM 280 CB TYR A 17 8.203 3.844 -0.862 1.00 0.00 C ATOM 281 CG TYR A 17 9.455 4.390 -1.486 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.630 3.637 -1.487 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.421 5.641 -2.103 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.776 4.137 -2.104 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.564 6.145 -2.717 1.00 0.00 C ATOM 286 CZ TYR A 17 11.748 5.395 -2.722 1.00 0.00 C ATOM 287 OH TYR A 17 12.881 5.892 -3.334 1.00 0.00 O ATOM 0 H TYR A 17 9.583 2.066 0.449 1.00 0.00 H new ATOM 0 HA TYR A 17 8.340 4.722 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.995 2.857 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.360 4.484 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.652 2.668 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.508 6.218 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.686 3.555 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.538 7.115 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 17 12.622 6.474 -4.079 1.00 0.00 H new ATOM 297 N ARG A 18 6.047 3.553 1.516 1.00 0.00 N ATOM 298 CA ARG A 18 4.888 2.719 1.887 1.00 0.00 C ATOM 299 C ARG A 18 3.945 2.726 0.697 1.00 0.00 C ATOM 300 O ARG A 18 4.005 3.602 -0.143 1.00 0.00 O ATOM 301 CB ARG A 18 4.285 3.309 3.183 1.00 0.00 C ATOM 302 CG ARG A 18 3.010 4.131 2.920 1.00 0.00 C ATOM 303 CD ARG A 18 2.400 4.542 4.264 1.00 0.00 C ATOM 304 NE ARG A 18 2.903 5.924 4.518 1.00 0.00 N ATOM 305 CZ ARG A 18 2.987 6.397 5.742 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.607 5.682 6.772 1.00 0.00 N ATOM 307 NH2 ARG A 18 3.447 7.604 5.934 1.00 0.00 N ATOM 0 H ARG A 18 5.926 4.563 1.596 1.00 0.00 H new ATOM 0 HA ARG A 18 5.134 1.679 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.054 2.498 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.027 3.942 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.246 5.015 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.294 3.543 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.311 4.521 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.704 3.861 5.059 1.00 0.00 H new ATOM 0 HE ARG A 18 3.185 6.509 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.238 4.741 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.680 6.066 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.738 8.172 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.516 7.979 6.880 1.00 0.00 H new ATOM 321 N ILE A 19 3.073 1.785 0.622 1.00 0.00 N ATOM 322 CA ILE A 19 2.131 1.769 -0.504 1.00 0.00 C ATOM 323 C ILE A 19 0.887 2.409 0.068 1.00 0.00 C ATOM 324 O ILE A 19 0.021 1.772 0.634 1.00 0.00 O ATOM 325 CB ILE A 19 1.928 0.305 -0.921 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.140 -0.570 -0.536 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.781 0.238 -2.437 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.922 -2.006 -1.016 1.00 0.00 C ATOM 0 H ILE A 19 2.970 1.024 1.293 1.00 0.00 H new ATOM 0 HA ILE A 19 2.452 2.301 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 19 1.040 -0.066 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.048 -0.163 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.280 -0.556 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.636 -0.798 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.920 0.831 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.681 0.633 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.782 -2.616 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.024 -2.413 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.804 -2.014 -2.100 1.00 0.00 H new ATOM 340 N VAL A 20 0.883 3.705 0.011 1.00 0.00 N ATOM 341 CA VAL A 20 -0.189 4.498 0.635 1.00 0.00 C ATOM 342 C VAL A 20 -1.248 4.893 -0.396 1.00 0.00 C ATOM 343 O VAL A 20 -1.079 4.690 -1.579 1.00 0.00 O ATOM 344 CB VAL A 20 0.605 5.694 1.207 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.598 6.892 0.255 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.031 6.110 2.554 1.00 0.00 C ATOM 0 H VAL A 20 1.601 4.258 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.767 3.979 1.400 1.00 0.00 H new ATOM 0 HB VAL A 20 1.638 5.368 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.167 7.710 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.051 6.605 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.429 7.215 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.599 6.953 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.012 6.401 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.095 5.274 3.250 1.00 0.00 H new ATOM 356 N VAL A 21 -2.356 5.410 0.053 1.00 0.00 N ATOM 357 CA VAL A 21 -3.447 5.761 -0.893 1.00 0.00 C ATOM 358 C VAL A 21 -3.646 7.277 -0.948 1.00 0.00 C ATOM 359 O VAL A 21 -4.117 7.886 -0.010 1.00 0.00 O ATOM 360 CB VAL A 21 -4.715 5.076 -0.345 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.528 4.533 -1.513 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.375 3.905 0.588 1.00 0.00 C ATOM 0 H VAL A 21 -2.552 5.604 1.035 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.216 5.432 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.276 5.819 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.427 4.046 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.809 5.353 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.930 3.810 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.296 3.450 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.794 3.161 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.792 4.271 1.434 1.00 0.00 H new ATOM 372 N THR A 22 -3.295 7.889 -2.044 1.00 0.00 N ATOM 373 CA THR A 22 -3.463 9.367 -2.160 1.00 0.00 C ATOM 374 C THR A 22 -3.962 9.737 -3.560 1.00 0.00 C ATOM 375 O THR A 22 -4.370 8.890 -4.329 1.00 0.00 O ATOM 376 CB THR A 22 -2.064 9.946 -1.929 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.078 11.341 -2.197 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.057 9.260 -2.855 1.00 0.00 C ATOM 0 H THR A 22 -2.899 7.431 -2.865 1.00 0.00 H new ATOM 0 HA THR A 22 -4.191 9.753 -1.447 1.00 0.00 H new ATOM 0 HB THR A 22 -1.773 9.775 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.553 11.807 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.064 9.677 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.042 8.190 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.347 9.424 -3.893 1.00 0.00 H new ATOM 386 N ASP A 23 -3.919 10.996 -3.898 1.00 0.00 N ATOM 387 CA ASP A 23 -4.379 11.422 -5.250 1.00 0.00 C ATOM 388 C ASP A 23 -3.193 11.959 -6.055 1.00 0.00 C ATOM 389 O ASP A 23 -2.052 11.828 -5.656 1.00 0.00 O ATOM 390 CB ASP A 23 -5.405 12.527 -4.994 1.00 0.00 C ATOM 391 CG ASP A 23 -4.767 13.632 -4.151 1.00 0.00 C ATOM 392 OD1 ASP A 23 -4.575 13.410 -2.968 1.00 0.00 O ATOM 393 OD2 ASP A 23 -4.480 14.681 -4.704 1.00 0.00 O ATOM 0 H ASP A 23 -3.585 11.749 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.810 10.600 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.759 12.936 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.274 12.118 -4.479 1.00 0.00 H new ATOM 398 N ALA A 24 -3.445 12.563 -7.184 1.00 0.00 N ATOM 399 CA ALA A 24 -2.320 13.103 -8.003 1.00 0.00 C ATOM 400 C ALA A 24 -2.666 14.498 -8.529 1.00 0.00 C ATOM 401 O ALA A 24 -2.327 14.856 -9.639 1.00 0.00 O ATOM 402 CB ALA A 24 -2.161 12.118 -9.161 1.00 0.00 C ATOM 0 H ALA A 24 -4.376 12.706 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.402 13.202 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.350 12.448 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.931 11.128 -8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.088 12.075 -9.732 1.00 0.00 H new ATOM 408 N ARG A 25 -3.341 15.291 -7.742 1.00 0.00 N ATOM 409 CA ARG A 25 -3.708 16.659 -8.198 1.00 0.00 C ATOM 410 C ARG A 25 -2.450 17.505 -8.416 1.00 0.00 C ATOM 411 O ARG A 25 -2.273 18.114 -9.453 1.00 0.00 O ATOM 412 CB ARG A 25 -4.557 17.241 -7.070 1.00 0.00 C ATOM 413 CG ARG A 25 -5.964 17.537 -7.595 1.00 0.00 C ATOM 414 CD ARG A 25 -5.891 18.635 -8.658 1.00 0.00 C ATOM 415 NE ARG A 25 -6.864 19.673 -8.207 1.00 0.00 N ATOM 416 CZ ARG A 25 -6.842 20.882 -8.717 1.00 0.00 C ATOM 417 NH1 ARG A 25 -5.967 21.210 -9.636 1.00 0.00 N ATOM 418 NH2 ARG A 25 -7.704 21.771 -8.305 1.00 0.00 N ATOM 0 H ARG A 25 -3.654 15.049 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.246 16.644 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.607 16.539 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.099 18.154 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.403 16.634 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.611 17.851 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.884 19.045 -8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.154 18.249 -9.643 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.555 19.440 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.290 20.521 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.963 22.154 -10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.389 21.524 -7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.692 22.713 -8.697 1.00 0.00 H new ATOM 432 N ARG A 26 -1.576 17.550 -7.448 1.00 0.00 N ATOM 433 CA ARG A 26 -0.333 18.361 -7.604 1.00 0.00 C ATOM 434 C ARG A 26 0.880 17.573 -7.100 1.00 0.00 C ATOM 435 O ARG A 26 0.754 16.470 -6.608 1.00 0.00 O ATOM 436 CB ARG A 26 -0.559 19.605 -6.743 1.00 0.00 C ATOM 437 CG ARG A 26 -0.923 20.788 -7.641 1.00 0.00 C ATOM 438 CD ARG A 26 0.355 21.505 -8.086 1.00 0.00 C ATOM 439 NE ARG A 26 0.637 22.494 -7.006 1.00 0.00 N ATOM 440 CZ ARG A 26 1.830 23.025 -6.874 1.00 0.00 C ATOM 441 NH1 ARG A 26 2.804 22.706 -7.692 1.00 0.00 N ATOM 442 NH2 ARG A 26 2.050 23.882 -5.917 1.00 0.00 N ATOM 0 H ARG A 26 -1.668 17.062 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.136 18.617 -8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.357 19.422 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.340 19.832 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.479 20.440 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.572 21.479 -7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.181 20.803 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.216 21.999 -9.048 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.107 22.761 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.640 22.037 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.726 23.127 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.298 24.136 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.975 24.299 -5.808 1.00 0.00 H new ATOM 456 N LYS A 27 2.052 18.133 -7.217 1.00 0.00 N ATOM 457 CA LYS A 27 3.271 17.414 -6.742 1.00 0.00 C ATOM 458 C LYS A 27 4.011 18.258 -5.700 1.00 0.00 C ATOM 459 O LYS A 27 5.106 18.733 -5.932 1.00 0.00 O ATOM 460 CB LYS A 27 4.135 17.211 -7.991 1.00 0.00 C ATOM 461 CG LYS A 27 4.320 18.543 -8.724 1.00 0.00 C ATOM 462 CD LYS A 27 5.390 18.386 -9.806 1.00 0.00 C ATOM 463 CE LYS A 27 5.521 19.692 -10.591 1.00 0.00 C ATOM 464 NZ LYS A 27 4.330 19.722 -11.485 1.00 0.00 N ATOM 0 H LYS A 27 2.220 19.055 -7.620 1.00 0.00 H new ATOM 0 HA LYS A 27 3.028 16.465 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.106 16.804 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.665 16.484 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.378 18.857 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.612 19.321 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.346 18.126 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.124 17.571 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.536 20.554 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.447 19.717 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.641 19.771 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.766 18.860 -11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.750 20.556 -11.263 1.00 0.00 H new ATOM 478 N ARG A 28 3.421 18.443 -4.550 1.00 0.00 N ATOM 479 CA ARG A 28 4.085 19.251 -3.488 1.00 0.00 C ATOM 480 C ARG A 28 3.891 18.585 -2.122 1.00 0.00 C ATOM 481 O ARG A 28 4.837 18.325 -1.407 1.00 0.00 O ATOM 482 CB ARG A 28 3.386 20.610 -3.528 1.00 0.00 C ATOM 483 CG ARG A 28 4.430 21.724 -3.434 1.00 0.00 C ATOM 484 CD ARG A 28 3.934 22.811 -2.476 1.00 0.00 C ATOM 485 NE ARG A 28 4.090 24.087 -3.234 1.00 0.00 N ATOM 486 CZ ARG A 28 4.089 25.243 -2.613 1.00 0.00 C ATOM 487 NH1 ARG A 28 3.937 25.311 -1.315 1.00 0.00 N ATOM 488 NH2 ARG A 28 4.239 26.342 -3.300 1.00 0.00 N ATOM 0 H ARG A 28 2.506 18.068 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 28 5.159 19.343 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.814 20.710 -4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.677 20.691 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.378 21.319 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.612 22.150 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.895 22.644 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.518 22.824 -1.556 1.00 0.00 H new ATOM 0 HE ARG A 28 4.199 24.060 -4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.817 24.457 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.939 26.218 -0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.356 26.299 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.239 27.245 -2.825 1.00 0.00 H new ATOM 502 N ASP A 29 2.669 18.303 -1.758 1.00 0.00 N ATOM 503 CA ASP A 29 2.413 17.650 -0.441 1.00 0.00 C ATOM 504 C ASP A 29 1.662 16.331 -0.648 1.00 0.00 C ATOM 505 O ASP A 29 0.458 16.311 -0.811 1.00 0.00 O ATOM 506 CB ASP A 29 1.548 18.643 0.339 1.00 0.00 C ATOM 507 CG ASP A 29 1.581 18.293 1.828 1.00 0.00 C ATOM 508 OD1 ASP A 29 0.987 17.294 2.195 1.00 0.00 O ATOM 509 OD2 ASP A 29 2.201 19.032 2.577 1.00 0.00 O ATOM 0 H ASP A 29 1.837 18.496 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 29 3.336 17.415 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.914 19.658 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.522 18.615 -0.029 1.00 0.00 H new ATOM 514 N GLY A 30 2.363 15.230 -0.652 1.00 0.00 N ATOM 515 CA GLY A 30 1.689 13.915 -0.856 1.00 0.00 C ATOM 516 C GLY A 30 0.740 13.629 0.310 1.00 0.00 C ATOM 517 O GLY A 30 1.094 12.958 1.259 1.00 0.00 O ATOM 0 H GLY A 30 3.374 15.184 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.134 13.923 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.434 13.123 -0.933 1.00 0.00 H new ATOM 521 N LYS A 31 -0.467 14.125 0.243 1.00 0.00 N ATOM 522 CA LYS A 31 -1.442 13.873 1.345 1.00 0.00 C ATOM 523 C LYS A 31 -2.316 12.662 1.002 1.00 0.00 C ATOM 524 O LYS A 31 -3.243 12.756 0.221 1.00 0.00 O ATOM 525 CB LYS A 31 -2.291 15.143 1.424 1.00 0.00 C ATOM 526 CG LYS A 31 -2.278 15.678 2.858 1.00 0.00 C ATOM 527 CD LYS A 31 -3.191 14.817 3.734 1.00 0.00 C ATOM 528 CE LYS A 31 -4.295 15.690 4.335 1.00 0.00 C ATOM 529 NZ LYS A 31 -3.584 16.654 5.221 1.00 0.00 N ATOM 0 H LYS A 31 -0.820 14.694 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.950 13.656 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.901 15.897 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.314 14.929 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.262 15.666 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.614 16.715 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.630 14.014 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.612 14.346 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.856 16.208 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.010 15.090 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.170 16.855 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.678 16.243 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.407 17.537 4.702 1.00 0.00 H new ATOM 543 N TYR A 32 -2.024 11.522 1.569 1.00 0.00 N ATOM 544 CA TYR A 32 -2.839 10.308 1.260 1.00 0.00 C ATOM 545 C TYR A 32 -4.043 10.203 2.192 1.00 0.00 C ATOM 546 O TYR A 32 -4.124 10.863 3.209 1.00 0.00 O ATOM 547 CB TYR A 32 -1.907 9.108 1.467 1.00 0.00 C ATOM 548 CG TYR A 32 -1.293 9.164 2.845 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.048 8.797 3.963 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.033 9.581 3.001 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.477 8.848 5.240 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.606 9.632 4.276 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.150 9.265 5.397 1.00 0.00 C ATOM 554 OH TYR A 32 0.415 9.316 6.655 1.00 0.00 O ATOM 0 H TYR A 32 -1.261 11.378 2.230 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.228 10.350 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.464 8.179 1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.123 9.111 0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.071 8.474 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.615 9.864 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.060 8.566 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.630 9.954 4.396 1.00 0.00 H new ATOM 0 HH TYR A 32 1.342 9.625 6.585 1.00 0.00 H new ATOM 564 N ILE A 33 -4.977 9.364 1.844 1.00 0.00 N ATOM 565 CA ILE A 33 -6.187 9.184 2.688 1.00 0.00 C ATOM 566 C ILE A 33 -5.876 8.228 3.842 1.00 0.00 C ATOM 567 O ILE A 33 -6.410 8.350 4.927 1.00 0.00 O ATOM 568 CB ILE A 33 -7.220 8.573 1.743 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.573 9.587 0.652 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.480 8.212 2.524 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.654 8.875 -0.699 1.00 0.00 C ATOM 0 H ILE A 33 -4.952 8.790 1.001 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.538 10.115 3.134 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.806 7.673 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.525 10.066 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.820 10.375 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -9.215 7.776 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.231 7.491 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.895 9.111 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.905 9.597 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.692 8.417 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.423 8.103 -0.658 1.00 0.00 H new ATOM 583 N GLU A 34 -5.012 7.278 3.613 1.00 0.00 N ATOM 584 CA GLU A 34 -4.658 6.310 4.689 1.00 0.00 C ATOM 585 C GLU A 34 -3.503 5.419 4.224 1.00 0.00 C ATOM 586 O GLU A 34 -3.045 5.516 3.104 1.00 0.00 O ATOM 587 CB GLU A 34 -5.926 5.487 4.915 1.00 0.00 C ATOM 588 CG GLU A 34 -6.520 5.832 6.282 1.00 0.00 C ATOM 589 CD GLU A 34 -8.044 5.918 6.170 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.656 4.904 5.878 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.573 6.998 6.377 1.00 0.00 O ATOM 0 H GLU A 34 -4.534 7.130 2.724 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.331 6.801 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.652 5.694 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.696 4.423 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.241 5.074 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.117 6.781 6.637 1.00 0.00 H new ATOM 598 N LYS A 35 -3.025 4.555 5.075 1.00 0.00 N ATOM 599 CA LYS A 35 -1.898 3.666 4.675 1.00 0.00 C ATOM 600 C LYS A 35 -2.363 2.211 4.618 1.00 0.00 C ATOM 601 O LYS A 35 -2.867 1.673 5.584 1.00 0.00 O ATOM 602 CB LYS A 35 -0.844 3.851 5.767 1.00 0.00 C ATOM 603 CG LYS A 35 -0.485 5.333 5.882 1.00 0.00 C ATOM 604 CD LYS A 35 -0.889 5.851 7.264 1.00 0.00 C ATOM 605 CE LYS A 35 -0.057 5.146 8.338 1.00 0.00 C ATOM 606 NZ LYS A 35 -0.941 5.102 9.537 1.00 0.00 N ATOM 0 H LYS A 35 -3.365 4.426 6.028 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.510 3.911 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.224 3.483 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.046 3.267 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.585 5.472 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.995 5.903 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.735 6.929 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.950 5.671 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.230 4.143 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.864 5.691 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.442 4.632 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.192 6.071 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.807 4.572 9.311 1.00 0.00 H new ATOM 620 N ILE A 36 -2.193 1.566 3.496 1.00 0.00 N ATOM 621 CA ILE A 36 -2.626 0.142 3.395 1.00 0.00 C ATOM 622 C ILE A 36 -1.449 -0.759 3.068 1.00 0.00 C ATOM 623 O ILE A 36 -1.450 -1.930 3.399 1.00 0.00 O ATOM 624 CB ILE A 36 -3.686 0.103 2.290 1.00 0.00 C ATOM 625 CG1 ILE A 36 -3.102 0.587 0.953 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.845 1.016 2.691 1.00 0.00 C ATOM 627 CD1 ILE A 36 -2.284 -0.528 0.302 1.00 0.00 C ATOM 0 H ILE A 36 -1.777 1.959 2.652 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.032 -0.222 4.339 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.030 -0.924 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.907 0.895 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.473 1.462 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.608 0.998 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.275 0.667 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.479 2.035 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.875 -0.174 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.468 -0.815 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.925 -1.391 0.120 1.00 0.00 H new ATOM 639 N GLY A 37 -0.447 -0.245 2.420 1.00 0.00 N ATOM 640 CA GLY A 37 0.703 -1.110 2.087 1.00 0.00 C ATOM 641 C GLY A 37 2.008 -0.512 2.588 1.00 0.00 C ATOM 642 O GLY A 37 2.098 0.657 2.906 1.00 0.00 O ATOM 0 H GLY A 37 -0.377 0.725 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.559 -2.096 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.755 -1.249 1.007 1.00 0.00 H new ATOM 646 N TYR A 38 3.038 -1.308 2.602 1.00 0.00 N ATOM 647 CA TYR A 38 4.383 -0.815 3.012 1.00 0.00 C ATOM 648 C TYR A 38 5.425 -1.411 2.062 1.00 0.00 C ATOM 649 O TYR A 38 5.326 -2.560 1.679 1.00 0.00 O ATOM 650 CB TYR A 38 4.609 -1.317 4.437 1.00 0.00 C ATOM 651 CG TYR A 38 5.787 -0.581 5.037 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.605 0.686 5.605 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.063 -1.162 5.024 1.00 0.00 C ATOM 654 CE1 TYR A 38 6.692 1.369 6.161 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.151 -0.478 5.582 1.00 0.00 C ATOM 656 CZ TYR A 38 7.964 0.787 6.150 1.00 0.00 C ATOM 657 OH TYR A 38 9.036 1.462 6.700 1.00 0.00 O ATOM 0 H TYR A 38 3.006 -2.294 2.343 1.00 0.00 H new ATOM 0 HA TYR A 38 4.460 0.272 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.716 -1.153 5.040 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.798 -2.390 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.624 1.137 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.207 -2.137 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.549 2.346 6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.133 -0.927 5.574 1.00 0.00 H new ATOM 0 HH TYR A 38 9.355 2.140 6.068 1.00 0.00 H new ATOM 667 N TYR A 39 6.420 -0.660 1.673 1.00 0.00 N ATOM 668 CA TYR A 39 7.440 -1.231 0.747 1.00 0.00 C ATOM 669 C TYR A 39 8.846 -0.791 1.182 1.00 0.00 C ATOM 670 O TYR A 39 9.104 0.380 1.373 1.00 0.00 O ATOM 671 CB TYR A 39 7.109 -0.669 -0.641 1.00 0.00 C ATOM 672 CG TYR A 39 8.162 -1.121 -1.630 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.607 -2.450 -1.622 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.699 -0.212 -2.550 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.586 -2.869 -2.533 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.675 -0.632 -3.462 1.00 0.00 C ATOM 677 CZ TYR A 39 10.119 -1.959 -3.453 1.00 0.00 C ATOM 678 OH TYR A 39 11.078 -2.369 -4.360 1.00 0.00 O ATOM 0 H TYR A 39 6.570 0.310 1.951 1.00 0.00 H new ATOM 0 HA TYR A 39 7.424 -2.321 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.124 -1.012 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.071 0.420 -0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.195 -3.152 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.360 0.813 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.929 -3.893 -2.525 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.086 0.069 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 39 11.338 -1.612 -4.925 1.00 0.00 H new ATOM 688 N ASP A 40 9.759 -1.708 1.347 1.00 0.00 N ATOM 689 CA ASP A 40 11.135 -1.308 1.773 1.00 0.00 C ATOM 690 C ASP A 40 12.190 -2.089 0.982 1.00 0.00 C ATOM 691 O ASP A 40 12.691 -3.091 1.448 1.00 0.00 O ATOM 692 CB ASP A 40 11.206 -1.660 3.258 1.00 0.00 C ATOM 693 CG ASP A 40 12.527 -1.152 3.840 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.525 -1.226 3.143 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.516 -0.697 4.972 1.00 0.00 O ATOM 0 H ASP A 40 9.617 -2.708 1.208 1.00 0.00 H new ATOM 0 HA ASP A 40 11.330 -0.251 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.366 -1.212 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.129 -2.739 3.391 1.00 0.00 H new ATOM 700 N PRO A 41 12.499 -1.607 -0.193 1.00 0.00 N ATOM 701 CA PRO A 41 13.502 -2.293 -1.045 1.00 0.00 C ATOM 702 C PRO A 41 14.906 -2.187 -0.439 1.00 0.00 C ATOM 703 O PRO A 41 15.708 -1.370 -0.847 1.00 0.00 O ATOM 704 CB PRO A 41 13.425 -1.538 -2.369 1.00 0.00 C ATOM 705 CG PRO A 41 12.885 -0.192 -2.011 1.00 0.00 C ATOM 706 CD PRO A 41 11.967 -0.398 -0.836 1.00 0.00 C ATOM 0 HA PRO A 41 13.305 -3.360 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.406 -1.459 -2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.774 -2.049 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.692 0.495 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.347 0.246 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.983 0.457 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.933 -0.534 -1.153 1.00 0.00 H new ATOM 714 N ARG A 42 15.212 -3.014 0.523 1.00 0.00 N ATOM 715 CA ARG A 42 16.562 -2.968 1.140 1.00 0.00 C ATOM 716 C ARG A 42 17.452 -4.054 0.526 1.00 0.00 C ATOM 717 O ARG A 42 16.969 -5.020 -0.030 1.00 0.00 O ATOM 718 CB ARG A 42 16.336 -3.233 2.630 1.00 0.00 C ATOM 719 CG ARG A 42 16.897 -2.068 3.451 1.00 0.00 C ATOM 720 CD ARG A 42 18.390 -1.899 3.153 1.00 0.00 C ATOM 721 NE ARG A 42 18.848 -0.816 4.073 1.00 0.00 N ATOM 722 CZ ARG A 42 20.126 -0.559 4.227 1.00 0.00 C ATOM 723 NH1 ARG A 42 21.035 -1.244 3.579 1.00 0.00 N ATOM 724 NH2 ARG A 42 20.497 0.396 5.036 1.00 0.00 N ATOM 0 H ARG A 42 14.583 -3.719 0.907 1.00 0.00 H new ATOM 0 HA ARG A 42 17.060 -2.013 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.271 -3.353 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.822 -4.164 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.362 -1.150 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.747 -2.254 4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 42 18.935 -2.826 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 42 18.556 -1.628 2.110 1.00 0.00 H new ATOM 0 HE ARG A 42 18.159 -0.269 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 20.754 -1.990 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.024 -1.031 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.796 0.936 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.488 0.602 5.161 1.00 0.00 H new ATOM 738 N LYS A 43 18.744 -3.905 0.616 1.00 0.00 N ATOM 739 CA LYS A 43 19.652 -4.931 0.030 1.00 0.00 C ATOM 740 C LYS A 43 20.084 -5.935 1.101 1.00 0.00 C ATOM 741 O LYS A 43 21.210 -6.391 1.122 1.00 0.00 O ATOM 742 CB LYS A 43 20.858 -4.148 -0.489 1.00 0.00 C ATOM 743 CG LYS A 43 20.492 -3.469 -1.808 1.00 0.00 C ATOM 744 CD LYS A 43 20.727 -4.442 -2.966 1.00 0.00 C ATOM 745 CE LYS A 43 19.387 -5.012 -3.436 1.00 0.00 C ATOM 746 NZ LYS A 43 19.291 -4.637 -4.874 1.00 0.00 N ATOM 0 H LYS A 43 19.210 -3.119 1.069 1.00 0.00 H new ATOM 0 HA LYS A 43 19.167 -5.503 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.164 -3.402 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.705 -4.818 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 43 19.449 -3.154 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.094 -2.571 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.225 -3.930 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.386 -5.250 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.351 -6.094 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.558 -4.595 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.397 -4.994 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.320 -3.601 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.089 -5.053 -5.395 1.00 0.00 H new ATOM 760 N THR A 44 19.196 -6.286 1.990 1.00 0.00 N ATOM 761 CA THR A 44 19.556 -7.263 3.057 1.00 0.00 C ATOM 762 C THR A 44 18.548 -8.415 3.076 1.00 0.00 C ATOM 763 O THR A 44 18.907 -9.570 2.949 1.00 0.00 O ATOM 764 CB THR A 44 19.496 -6.467 4.361 1.00 0.00 C ATOM 765 OG1 THR A 44 18.201 -5.898 4.508 1.00 0.00 O ATOM 766 CG2 THR A 44 20.543 -5.352 4.332 1.00 0.00 C ATOM 0 H THR A 44 18.237 -5.939 2.024 1.00 0.00 H new ATOM 0 HA THR A 44 20.539 -7.706 2.900 1.00 0.00 H new ATOM 0 HB THR A 44 19.700 -7.132 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.160 -5.389 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.498 -4.786 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.536 -5.788 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.342 -4.686 3.493 1.00 0.00 H new ATOM 774 N THR A 45 17.289 -8.111 3.231 1.00 0.00 N ATOM 775 CA THR A 45 16.259 -9.190 3.255 1.00 0.00 C ATOM 776 C THR A 45 15.097 -8.830 2.320 1.00 0.00 C ATOM 777 O THR A 45 14.688 -7.688 2.260 1.00 0.00 O ATOM 778 CB THR A 45 15.778 -9.250 4.706 1.00 0.00 C ATOM 779 OG1 THR A 45 15.219 -7.995 5.070 1.00 0.00 O ATOM 780 CG2 THR A 45 16.955 -9.574 5.626 1.00 0.00 C ATOM 0 H THR A 45 16.928 -7.163 3.342 1.00 0.00 H new ATOM 0 HA THR A 45 16.656 -10.147 2.918 1.00 0.00 H new ATOM 0 HB THR A 45 15.021 -10.028 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.890 -7.538 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.609 -9.616 6.659 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.381 -10.538 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.716 -8.800 5.530 1.00 0.00 H new ATOM 788 N PRO A 46 14.596 -9.817 1.616 1.00 0.00 N ATOM 789 CA PRO A 46 13.468 -9.579 0.684 1.00 0.00 C ATOM 790 C PRO A 46 12.165 -9.377 1.465 1.00 0.00 C ATOM 791 O PRO A 46 11.181 -8.897 0.935 1.00 0.00 O ATOM 792 CB PRO A 46 13.410 -10.859 -0.145 1.00 0.00 C ATOM 793 CG PRO A 46 14.026 -11.912 0.720 1.00 0.00 C ATOM 794 CD PRO A 46 15.022 -11.225 1.618 1.00 0.00 C ATOM 0 HA PRO A 46 13.599 -8.687 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.383 -11.114 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.958 -10.748 -1.081 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.263 -12.420 1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.517 -12.671 0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.007 -11.644 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.039 -11.334 1.242 1.00 0.00 H new ATOM 802 N ASP A 47 12.147 -9.739 2.721 1.00 0.00 N ATOM 803 CA ASP A 47 10.906 -9.568 3.530 1.00 0.00 C ATOM 804 C ASP A 47 10.639 -8.081 3.786 1.00 0.00 C ATOM 805 O ASP A 47 10.661 -7.622 4.911 1.00 0.00 O ATOM 806 CB ASP A 47 11.186 -10.298 4.845 1.00 0.00 C ATOM 807 CG ASP A 47 11.100 -11.809 4.621 1.00 0.00 C ATOM 808 OD1 ASP A 47 10.325 -12.220 3.772 1.00 0.00 O ATOM 809 OD2 ASP A 47 11.810 -12.529 5.302 1.00 0.00 O ATOM 0 H ASP A 47 12.938 -10.145 3.221 1.00 0.00 H new ATOM 0 HA ASP A 47 10.026 -9.964 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.175 -10.031 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.466 -9.991 5.604 1.00 0.00 H new ATOM 814 N TRP A 48 10.386 -7.324 2.752 1.00 0.00 N ATOM 815 CA TRP A 48 10.115 -5.867 2.943 1.00 0.00 C ATOM 816 C TRP A 48 8.690 -5.515 2.504 1.00 0.00 C ATOM 817 O TRP A 48 8.193 -4.444 2.790 1.00 0.00 O ATOM 818 CB TRP A 48 11.144 -5.116 2.080 1.00 0.00 C ATOM 819 CG TRP A 48 11.318 -5.770 0.737 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.438 -6.410 0.333 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.385 -5.842 -0.380 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.246 -6.889 -0.950 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.997 -6.564 -1.434 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.080 -5.365 -0.580 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.336 -6.803 -2.640 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.413 -5.601 -1.791 1.00 0.00 C ATOM 827 CH2 TRP A 48 9.038 -6.320 -2.820 1.00 0.00 C ATOM 0 H TRP A 48 10.355 -7.649 1.786 1.00 0.00 H new ATOM 0 HA TRP A 48 10.201 -5.590 3.994 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.822 -4.083 1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.102 -5.086 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.338 -6.528 0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.943 -7.418 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.586 -4.812 0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.825 -7.357 -3.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.410 -5.226 -1.932 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.517 -6.500 -3.749 1.00 0.00 H new ATOM 838 N LEU A 49 8.028 -6.399 1.810 1.00 0.00 N ATOM 839 CA LEU A 49 6.639 -6.098 1.358 1.00 0.00 C ATOM 840 C LEU A 49 5.647 -6.306 2.505 1.00 0.00 C ATOM 841 O LEU A 49 5.541 -7.383 3.059 1.00 0.00 O ATOM 842 CB LEU A 49 6.362 -7.101 0.239 1.00 0.00 C ATOM 843 CG LEU A 49 5.148 -6.646 -0.572 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.350 -7.022 -2.038 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.894 -7.337 -0.037 1.00 0.00 C ATOM 0 H LEU A 49 8.387 -7.314 1.537 1.00 0.00 H new ATOM 0 HA LEU A 49 6.533 -5.065 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.234 -7.186 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.180 -8.090 0.660 1.00 0.00 H new ATOM 0 HG LEU A 49 5.033 -5.566 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.486 -6.699 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.247 -6.533 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.462 -8.103 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.027 -7.014 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.008 -8.417 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.752 -7.073 1.011 1.00 0.00 H new ATOM 857 N LYS A 50 4.917 -5.288 2.861 1.00 0.00 N ATOM 858 CA LYS A 50 3.927 -5.433 3.970 1.00 0.00 C ATOM 859 C LYS A 50 2.616 -4.742 3.589 1.00 0.00 C ATOM 860 O LYS A 50 2.471 -3.548 3.758 1.00 0.00 O ATOM 861 CB LYS A 50 4.570 -4.728 5.166 1.00 0.00 C ATOM 862 CG LYS A 50 4.613 -5.682 6.361 1.00 0.00 C ATOM 863 CD LYS A 50 5.472 -5.070 7.469 1.00 0.00 C ATOM 864 CE LYS A 50 4.766 -3.844 8.051 1.00 0.00 C ATOM 865 NZ LYS A 50 5.680 -3.343 9.116 1.00 0.00 N ATOM 0 H LYS A 50 4.960 -4.362 2.435 1.00 0.00 H new ATOM 0 HA LYS A 50 3.693 -6.475 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.579 -4.403 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.002 -3.833 5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.604 -5.868 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.024 -6.645 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.649 -5.806 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.447 -4.786 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.597 -3.086 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.790 -4.107 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.264 -2.501 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.817 -4.084 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.598 -3.094 8.696 1.00 0.00 H new ATOM 879 N VAL A 51 1.658 -5.470 3.071 1.00 0.00 N ATOM 880 CA VAL A 51 0.379 -4.808 2.684 1.00 0.00 C ATOM 881 C VAL A 51 -0.832 -5.507 3.292 1.00 0.00 C ATOM 882 O VAL A 51 -1.044 -6.691 3.120 1.00 0.00 O ATOM 883 CB VAL A 51 0.331 -4.860 1.137 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.118 -4.933 0.617 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.956 -3.594 0.578 1.00 0.00 C ATOM 0 H VAL A 51 1.705 -6.475 2.903 1.00 0.00 H new ATOM 0 HA VAL A 51 0.344 -3.784 3.057 1.00 0.00 H new ATOM 0 HB VAL A 51 0.872 -5.751 0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.112 -4.968 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.600 -5.830 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.668 -4.053 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.926 -3.624 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.400 -2.726 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.992 -3.522 0.910 1.00 0.00 H new ATOM 895 N ASP A 52 -1.671 -4.747 3.929 1.00 0.00 N ATOM 896 CA ASP A 52 -2.918 -5.320 4.466 1.00 0.00 C ATOM 897 C ASP A 52 -3.866 -5.431 3.277 1.00 0.00 C ATOM 898 O ASP A 52 -4.797 -4.664 3.153 1.00 0.00 O ATOM 899 CB ASP A 52 -3.426 -4.296 5.483 1.00 0.00 C ATOM 900 CG ASP A 52 -4.338 -4.988 6.499 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.016 -5.926 6.115 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.342 -4.566 7.643 1.00 0.00 O ATOM 0 H ASP A 52 -1.542 -3.750 4.099 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.811 -6.295 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.585 -3.828 5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.970 -3.501 4.973 1.00 0.00 H new ATOM 907 N VAL A 53 -3.573 -6.345 2.372 1.00 0.00 N ATOM 908 CA VAL A 53 -4.392 -6.516 1.117 1.00 0.00 C ATOM 909 C VAL A 53 -5.872 -6.165 1.341 1.00 0.00 C ATOM 910 O VAL A 53 -6.513 -5.624 0.466 1.00 0.00 O ATOM 911 CB VAL A 53 -4.187 -7.988 0.649 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.936 -8.927 1.832 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.413 -8.489 -0.130 1.00 0.00 C ATOM 0 H VAL A 53 -2.787 -6.991 2.451 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.062 -5.825 0.341 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.311 -7.994 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.798 -9.944 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.041 -8.609 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.791 -8.897 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.247 -9.519 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.294 -8.444 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.569 -7.860 -1.007 1.00 0.00 H new ATOM 923 N GLU A 54 -6.410 -6.432 2.496 1.00 0.00 N ATOM 924 CA GLU A 54 -7.831 -6.063 2.728 1.00 0.00 C ATOM 925 C GLU A 54 -7.978 -4.549 2.577 1.00 0.00 C ATOM 926 O GLU A 54 -8.809 -4.064 1.835 1.00 0.00 O ATOM 927 CB GLU A 54 -8.144 -6.511 4.155 1.00 0.00 C ATOM 928 CG GLU A 54 -8.683 -7.943 4.129 1.00 0.00 C ATOM 929 CD GLU A 54 -10.137 -7.933 3.655 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.785 -6.912 3.815 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.578 -8.947 3.138 1.00 0.00 O ATOM 0 H GLU A 54 -5.936 -6.883 3.279 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.514 -6.531 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.245 -6.460 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.877 -5.842 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.077 -8.559 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.616 -8.386 5.123 1.00 0.00 H new ATOM 938 N ARG A 55 -7.154 -3.801 3.254 1.00 0.00 N ATOM 939 CA ARG A 55 -7.216 -2.322 3.128 1.00 0.00 C ATOM 940 C ARG A 55 -6.678 -1.921 1.756 1.00 0.00 C ATOM 941 O ARG A 55 -7.237 -1.092 1.075 1.00 0.00 O ATOM 942 CB ARG A 55 -6.321 -1.784 4.241 1.00 0.00 C ATOM 943 CG ARG A 55 -7.128 -1.688 5.533 1.00 0.00 C ATOM 944 CD ARG A 55 -7.641 -0.260 5.715 1.00 0.00 C ATOM 945 NE ARG A 55 -6.418 0.562 5.950 1.00 0.00 N ATOM 946 CZ ARG A 55 -6.490 1.716 6.571 1.00 0.00 C ATOM 947 NH1 ARG A 55 -7.643 2.197 6.969 1.00 0.00 N ATOM 948 NH2 ARG A 55 -5.400 2.400 6.788 1.00 0.00 N ATOM 0 H ARG A 55 -6.439 -4.152 3.891 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.229 -1.929 3.215 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.462 -2.440 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.931 -0.803 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.966 -2.385 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.508 -1.973 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.182 0.081 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.330 -0.192 6.557 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.513 0.222 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.501 1.673 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.682 3.095 7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.499 2.037 6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.449 3.298 7.270 1.00 0.00 H new ATOM 962 N ALA A 56 -5.614 -2.539 1.327 1.00 0.00 N ATOM 963 CA ALA A 56 -5.072 -2.225 -0.013 1.00 0.00 C ATOM 964 C ALA A 56 -6.123 -2.632 -1.053 1.00 0.00 C ATOM 965 O ALA A 56 -6.094 -2.195 -2.187 1.00 0.00 O ATOM 966 CB ALA A 56 -3.789 -3.059 -0.125 1.00 0.00 C ATOM 0 H ALA A 56 -5.100 -3.247 1.850 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.849 -1.170 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.324 -2.882 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.098 -2.771 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.033 -4.117 -0.027 1.00 0.00 H new ATOM 972 N ARG A 57 -7.079 -3.451 -0.658 1.00 0.00 N ATOM 973 CA ARG A 57 -8.149 -3.859 -1.599 1.00 0.00 C ATOM 974 C ARG A 57 -9.297 -2.843 -1.529 1.00 0.00 C ATOM 975 O ARG A 57 -9.992 -2.603 -2.495 1.00 0.00 O ATOM 976 CB ARG A 57 -8.614 -5.237 -1.118 1.00 0.00 C ATOM 977 CG ARG A 57 -9.852 -5.671 -1.912 1.00 0.00 C ATOM 978 CD ARG A 57 -9.610 -7.052 -2.527 1.00 0.00 C ATOM 979 NE ARG A 57 -10.325 -8.005 -1.628 1.00 0.00 N ATOM 980 CZ ARG A 57 -11.635 -8.101 -1.654 1.00 0.00 C ATOM 981 NH1 ARG A 57 -12.349 -7.362 -2.466 1.00 0.00 N ATOM 982 NH2 ARG A 57 -12.233 -8.943 -0.857 1.00 0.00 N ATOM 0 H ARG A 57 -7.153 -3.848 0.279 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.806 -3.898 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.814 -5.966 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.847 -5.202 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.724 -5.701 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.066 -4.945 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.996 -7.104 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.545 -7.280 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.790 -8.589 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.889 -6.700 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.365 -7.449 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.684 -9.520 -0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.250 -9.024 -0.871 1.00 0.00 H new ATOM 996 N TYR A 58 -9.470 -2.222 -0.387 1.00 0.00 N ATOM 997 CA TYR A 58 -10.537 -1.191 -0.232 1.00 0.00 C ATOM 998 C TYR A 58 -10.286 -0.125 -1.269 1.00 0.00 C ATOM 999 O TYR A 58 -11.168 0.380 -1.934 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.294 -0.617 1.169 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.000 0.717 1.351 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.243 0.946 0.750 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.402 1.725 2.125 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.890 2.175 0.920 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -11.052 2.954 2.295 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.295 3.179 1.694 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.935 4.389 1.862 1.00 0.00 O ATOM 0 H TYR A 58 -8.911 -2.389 0.450 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.551 -1.571 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.648 -1.323 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.224 -0.489 1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.704 0.172 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.442 1.553 2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.849 2.349 0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.593 3.729 2.891 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.387 4.973 2.427 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.054 0.209 -1.371 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.628 1.244 -2.320 1.00 0.00 C ATOM 1019 C TRP A 59 -8.793 0.724 -3.736 1.00 0.00 C ATOM 1020 O TRP A 59 -9.466 1.319 -4.556 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.185 1.513 -1.913 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.287 2.103 -0.551 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.771 1.601 0.594 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.045 3.271 -0.184 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.145 2.431 1.643 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.932 3.479 1.205 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.798 4.171 -0.941 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.562 4.556 1.830 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.435 5.254 -0.323 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.316 5.449 1.060 1.00 0.00 C ATOM 0 H TRP A 59 -8.300 -0.202 -0.821 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.208 2.166 -2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.597 0.595 -1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.698 2.198 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.171 0.707 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.873 2.285 2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.889 4.031 -2.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.469 4.699 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.021 5.942 -0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.806 6.288 1.531 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.240 -0.409 -4.012 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.418 -1.003 -5.361 1.00 0.00 C ATOM 1043 C LEU A 60 -9.920 -1.179 -5.631 1.00 0.00 C ATOM 1044 O LEU A 60 -10.348 -1.293 -6.762 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.723 -2.364 -5.292 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.273 -2.222 -5.753 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.543 -3.552 -5.556 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.247 -1.841 -7.234 1.00 0.00 C ATOM 0 H LEU A 60 -7.671 -0.955 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.005 -0.384 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.755 -2.749 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.247 -3.084 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.779 -1.446 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.509 -3.451 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.564 -3.826 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.036 -4.328 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.214 -1.739 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.740 -2.618 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.768 -0.894 -7.375 1.00 0.00 H new ATOM 1060 N SER A 61 -10.723 -1.201 -4.592 1.00 0.00 N ATOM 1061 CA SER A 61 -12.190 -1.371 -4.782 1.00 0.00 C ATOM 1062 C SER A 61 -12.855 -0.026 -5.107 1.00 0.00 C ATOM 1063 O SER A 61 -13.919 0.019 -5.695 1.00 0.00 O ATOM 1064 CB SER A 61 -12.704 -1.921 -3.451 1.00 0.00 C ATOM 1065 OG SER A 61 -14.125 -1.927 -3.463 1.00 0.00 O ATOM 0 H SER A 61 -10.420 -1.108 -3.622 1.00 0.00 H new ATOM 0 HA SER A 61 -12.418 -2.038 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.326 -2.931 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.338 -1.310 -2.626 1.00 0.00 H new ATOM 0 HG SER A 61 -14.458 -2.280 -2.612 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.241 1.069 -4.742 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.844 2.393 -5.044 1.00 0.00 C ATOM 1073 C VAL A 62 -12.188 2.979 -6.291 1.00 0.00 C ATOM 1074 O VAL A 62 -12.044 4.177 -6.434 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.554 3.274 -3.827 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.219 2.694 -2.578 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.046 3.346 -3.606 1.00 0.00 C ATOM 0 H VAL A 62 -11.349 1.100 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.915 2.321 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.954 4.271 -4.010 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.003 3.332 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.297 2.643 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.831 1.693 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.835 3.973 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.655 2.343 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.569 3.773 -4.488 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.799 2.130 -7.193 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.154 2.604 -8.450 1.00 0.00 C ATOM 1089 C GLY A 63 -9.767 3.183 -8.152 1.00 0.00 C ATOM 1090 O GLY A 63 -9.298 4.064 -8.846 1.00 0.00 O ATOM 0 H GLY A 63 -11.900 1.118 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.066 1.778 -9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.778 3.362 -8.923 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.097 2.700 -7.137 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.744 3.238 -6.830 1.00 0.00 C ATOM 1096 C ALA A 64 -6.768 2.851 -7.940 1.00 0.00 C ATOM 1097 O ALA A 64 -6.661 1.699 -8.306 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.336 2.583 -5.511 1.00 0.00 C ATOM 0 H ALA A 64 -9.427 1.963 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.740 4.326 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.345 2.934 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.055 2.847 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.316 1.500 -5.633 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.056 3.801 -8.479 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.087 3.481 -9.566 1.00 0.00 C ATOM 1106 C GLN A 65 -3.695 3.219 -8.973 1.00 0.00 C ATOM 1107 O GLN A 65 -3.051 4.131 -8.495 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.063 4.731 -10.448 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.807 4.452 -11.756 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.911 3.635 -12.691 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -3.891 3.121 -12.276 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.251 3.493 -13.943 1.00 0.00 N ATOM 0 H GLN A 65 -6.103 4.785 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.369 2.589 -10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.528 5.566 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.033 5.020 -10.658 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.730 3.908 -11.553 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.089 5.390 -12.234 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.107 3.925 -14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.661 2.950 -14.573 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.268 1.977 -9.020 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.940 1.622 -8.476 1.00 0.00 C ATOM 1123 C PRO A 66 -0.844 1.954 -9.491 1.00 0.00 C ATOM 1124 O PRO A 66 -1.064 1.925 -10.686 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.030 0.115 -8.265 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.072 -0.363 -9.229 1.00 0.00 C ATOM 1127 CD PRO A 66 -3.965 0.805 -9.568 1.00 0.00 C ATOM 0 HA PRO A 66 -1.694 2.165 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.070 -0.366 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.308 -0.121 -7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.604 -0.759 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.654 -1.173 -8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.107 0.896 -10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.954 0.689 -9.125 1.00 0.00 H new ATOM 1135 N THR A 67 0.335 2.261 -9.028 1.00 0.00 N ATOM 1136 CA THR A 67 1.440 2.583 -9.973 1.00 0.00 C ATOM 1137 C THR A 67 2.068 1.287 -10.493 1.00 0.00 C ATOM 1138 O THR A 67 1.785 0.212 -10.002 1.00 0.00 O ATOM 1139 CB THR A 67 2.451 3.376 -9.145 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.613 2.754 -7.878 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.945 4.806 -8.955 1.00 0.00 C ATOM 0 H THR A 67 0.581 2.303 -8.039 1.00 0.00 H new ATOM 0 HA THR A 67 1.098 3.147 -10.841 1.00 0.00 H new ATOM 0 HB THR A 67 3.410 3.399 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.262 3.260 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.666 5.372 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.821 5.281 -9.928 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.987 4.787 -8.436 1.00 0.00 H new ATOM 1149 N ASP A 68 2.916 1.375 -11.479 1.00 0.00 N ATOM 1150 CA ASP A 68 3.554 0.139 -12.019 1.00 0.00 C ATOM 1151 C ASP A 68 4.334 -0.583 -10.916 1.00 0.00 C ATOM 1152 O ASP A 68 4.658 -1.749 -11.034 1.00 0.00 O ATOM 1153 CB ASP A 68 4.499 0.626 -13.120 1.00 0.00 C ATOM 1154 CG ASP A 68 4.036 0.092 -14.479 1.00 0.00 C ATOM 1155 OD1 ASP A 68 2.881 -0.287 -14.586 1.00 0.00 O ATOM 1156 OD2 ASP A 68 4.847 0.073 -15.391 1.00 0.00 O ATOM 0 H ASP A 68 3.195 2.244 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 68 2.819 -0.570 -12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.521 1.716 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.515 0.289 -12.914 1.00 0.00 H new ATOM 1161 N THR A 69 4.639 0.097 -9.845 1.00 0.00 N ATOM 1162 CA THR A 69 5.395 -0.549 -8.735 1.00 0.00 C ATOM 1163 C THR A 69 4.441 -0.972 -7.619 1.00 0.00 C ATOM 1164 O THR A 69 4.491 -2.084 -7.132 1.00 0.00 O ATOM 1165 CB THR A 69 6.324 0.530 -8.217 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.759 1.348 -9.294 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.530 -0.109 -7.528 1.00 0.00 C ATOM 0 H THR A 69 4.396 1.076 -9.690 1.00 0.00 H new ATOM 0 HA THR A 69 5.926 -1.439 -9.071 1.00 0.00 H new ATOM 0 HB THR A 69 5.788 1.146 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.358 2.045 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.194 0.672 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.190 -0.722 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.067 -0.734 -8.241 1.00 0.00 H new ATOM 1175 N ALA A 70 3.569 -0.090 -7.211 1.00 0.00 N ATOM 1176 CA ALA A 70 2.613 -0.437 -6.134 1.00 0.00 C ATOM 1177 C ALA A 70 1.631 -1.463 -6.667 1.00 0.00 C ATOM 1178 O ALA A 70 1.087 -2.260 -5.929 1.00 0.00 O ATOM 1179 CB ALA A 70 1.903 0.871 -5.781 1.00 0.00 C ATOM 0 H ALA A 70 3.481 0.856 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 70 3.096 -0.865 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.178 0.689 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.636 1.603 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.388 1.255 -6.662 1.00 0.00 H new ATOM 1185 N ARG A 71 1.425 -1.473 -7.955 1.00 0.00 N ATOM 1186 CA ARG A 71 0.513 -2.475 -8.524 1.00 0.00 C ATOM 1187 C ARG A 71 1.177 -3.827 -8.351 1.00 0.00 C ATOM 1188 O ARG A 71 0.546 -4.814 -8.033 1.00 0.00 O ATOM 1189 CB ARG A 71 0.364 -2.122 -10.005 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.467 -3.203 -10.703 1.00 0.00 C ATOM 1191 CD ARG A 71 0.339 -3.807 -11.857 1.00 0.00 C ATOM 1192 NE ARG A 71 0.053 -5.271 -11.804 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.075 -5.756 -12.268 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.985 -4.970 -12.788 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -1.293 -7.041 -12.210 1.00 0.00 N ATOM 0 H ARG A 71 1.850 -0.832 -8.625 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.467 -2.496 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.119 -1.151 -10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.346 -2.044 -10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.741 -3.982 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.396 -2.775 -11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.038 -3.381 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.404 -3.609 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 71 0.744 -5.904 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.822 -3.964 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.856 -5.364 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.590 -7.660 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.167 -7.427 -12.568 1.00 0.00 H new ATOM 1209 N ARG A 72 2.471 -3.863 -8.528 1.00 0.00 N ATOM 1210 CA ARG A 72 3.198 -5.138 -8.352 1.00 0.00 C ATOM 1211 C ARG A 72 3.095 -5.570 -6.892 1.00 0.00 C ATOM 1212 O ARG A 72 2.920 -6.732 -6.584 1.00 0.00 O ATOM 1213 CB ARG A 72 4.647 -4.831 -8.728 1.00 0.00 C ATOM 1214 CG ARG A 72 5.113 -5.811 -9.805 1.00 0.00 C ATOM 1215 CD ARG A 72 6.641 -5.897 -9.794 1.00 0.00 C ATOM 1216 NE ARG A 72 6.949 -7.350 -9.932 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.186 -7.784 -9.871 1.00 0.00 C ATOM 1218 NH1 ARG A 72 9.183 -6.954 -9.688 1.00 0.00 N ATOM 1219 NH2 ARG A 72 8.426 -9.062 -9.992 1.00 0.00 N ATOM 0 H ARG A 72 3.048 -3.063 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 72 2.796 -5.945 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.730 -3.807 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.286 -4.909 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.682 -6.796 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.764 -5.484 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.074 -5.323 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.052 -5.493 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 72 6.189 -8.015 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.003 -5.955 -9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.139 -7.307 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.655 -9.715 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.385 -9.408 -9.946 1.00 0.00 H new ATOM 1233 N LEU A 73 3.193 -4.633 -5.989 1.00 0.00 N ATOM 1234 CA LEU A 73 3.093 -4.973 -4.552 1.00 0.00 C ATOM 1235 C LEU A 73 1.662 -5.365 -4.222 1.00 0.00 C ATOM 1236 O LEU A 73 1.419 -6.179 -3.356 1.00 0.00 O ATOM 1237 CB LEU A 73 3.507 -3.710 -3.800 1.00 0.00 C ATOM 1238 CG LEU A 73 4.906 -3.286 -4.247 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.137 -1.819 -3.882 1.00 0.00 C ATOM 1240 CD2 LEU A 73 5.949 -4.155 -3.545 1.00 0.00 C ATOM 0 H LEU A 73 3.339 -3.644 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 73 3.728 -5.815 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.794 -2.909 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.497 -3.894 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 73 4.995 -3.409 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.135 -1.517 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.393 -1.198 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.048 -1.694 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.947 -3.854 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.859 -4.031 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.786 -5.201 -3.805 1.00 0.00 H new ATOM 1252 N LEU A 74 0.708 -4.826 -4.928 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.693 -5.224 -4.670 1.00 0.00 C ATOM 1254 C LEU A 74 -0.871 -6.642 -5.207 1.00 0.00 C ATOM 1255 O LEU A 74 -1.687 -7.408 -4.738 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.557 -4.222 -5.436 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.659 -2.927 -4.629 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.261 -1.824 -5.502 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.557 -3.156 -3.410 1.00 0.00 C ATOM 0 H LEU A 74 0.841 -4.134 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.966 -5.220 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.121 -4.021 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.550 -4.637 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.664 -2.627 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.333 -0.902 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.624 -1.660 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.256 -2.124 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.631 -2.234 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.551 -3.457 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.130 -3.941 -2.786 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.068 -6.999 -6.175 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.133 -8.362 -6.742 1.00 0.00 C ATOM 1273 C ARG A 75 0.715 -9.291 -5.879 1.00 0.00 C ATOM 1274 O ARG A 75 0.482 -10.481 -5.804 1.00 0.00 O ATOM 1275 CB ARG A 75 0.469 -8.233 -8.141 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.324 -9.091 -9.122 1.00 0.00 C ATOM 1277 CD ARG A 75 0.539 -10.266 -9.587 1.00 0.00 C ATOM 1278 NE ARG A 75 0.662 -11.151 -8.391 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.330 -11.932 -8.027 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -1.450 -11.962 -8.706 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.197 -12.690 -6.972 1.00 0.00 N ATOM 0 H ARG A 75 0.635 -6.392 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.144 -8.767 -6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.454 -7.191 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.513 -8.547 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.233 -9.460 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.633 -8.492 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.074 -10.792 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.517 -9.927 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 75 1.527 -11.149 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.562 -11.373 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.210 -12.574 -8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.672 -12.673 -6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.962 -13.299 -6.682 1.00 0.00 H new ATOM 1295 N GLN A 76 1.708 -8.746 -5.228 1.00 0.00 N ATOM 1296 CA GLN A 76 2.583 -9.568 -4.374 1.00 0.00 C ATOM 1297 C GLN A 76 1.975 -9.719 -2.992 1.00 0.00 C ATOM 1298 O GLN A 76 2.043 -10.764 -2.374 1.00 0.00 O ATOM 1299 CB GLN A 76 3.881 -8.784 -4.332 1.00 0.00 C ATOM 1300 CG GLN A 76 5.045 -9.725 -4.035 1.00 0.00 C ATOM 1301 CD GLN A 76 5.370 -10.550 -5.284 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.532 -11.751 -5.206 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.476 -9.952 -6.440 1.00 0.00 N ATOM 0 H GLN A 76 1.945 -7.754 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 76 2.727 -10.582 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.043 -8.280 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.824 -8.009 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.920 -9.152 -3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.789 -10.386 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.340 -8.943 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.695 -10.494 -7.276 1.00 0.00 H new ATOM 1312 N ALA A 77 1.355 -8.691 -2.519 1.00 0.00 N ATOM 1313 CA ALA A 77 0.701 -8.763 -1.190 1.00 0.00 C ATOM 1314 C ALA A 77 -0.456 -9.773 -1.233 1.00 0.00 C ATOM 1315 O ALA A 77 -1.010 -10.138 -0.215 1.00 0.00 O ATOM 1316 CB ALA A 77 0.174 -7.353 -0.925 1.00 0.00 C ATOM 0 H ALA A 77 1.269 -7.794 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 77 1.386 -9.090 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.325 -7.327 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.005 -6.648 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.535 -7.077 -1.705 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.825 -10.230 -2.408 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.940 -11.213 -2.515 1.00 0.00 C ATOM 1324 C GLY A 78 -3.280 -10.474 -2.563 1.00 0.00 C ATOM 1325 O GLY A 78 -4.223 -10.845 -1.894 1.00 0.00 O ATOM 0 H GLY A 78 -0.399 -9.961 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.817 -11.820 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.920 -11.894 -1.664 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.374 -9.427 -3.342 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.654 -8.670 -3.413 1.00 0.00 C ATOM 1331 C VAL A 79 -5.483 -9.097 -4.629 1.00 0.00 C ATOM 1332 O VAL A 79 -6.651 -9.409 -4.512 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.262 -7.202 -3.539 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.516 -6.330 -3.451 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.300 -6.814 -2.411 1.00 0.00 C ATOM 0 H VAL A 79 -2.622 -9.067 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.267 -8.857 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.770 -7.049 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.236 -5.280 -3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.200 -6.594 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.006 -6.494 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.027 -5.764 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.786 -6.973 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.402 -7.430 -2.470 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.899 -9.093 -5.797 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.674 -9.479 -7.013 1.00 0.00 C ATOM 1347 C PHE A 80 -6.215 -10.905 -6.873 1.00 0.00 C ATOM 1348 O PHE A 80 -5.510 -11.869 -7.096 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.685 -9.405 -8.185 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.007 -8.043 -8.276 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -4.411 -6.962 -7.472 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -2.952 -7.874 -9.182 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -3.758 -5.728 -7.579 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -2.303 -6.641 -9.286 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.704 -5.570 -8.486 1.00 0.00 C ATOM 0 H PHE A 80 -3.925 -8.841 -5.962 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.529 -8.820 -7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.927 -10.180 -8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.211 -9.611 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.225 -7.084 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.639 -8.700 -9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.068 -4.898 -6.961 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.490 -6.517 -9.986 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.200 -4.618 -8.567 1.00 0.00 H new ATOM 1365 N ARG A 81 -7.461 -11.048 -6.515 1.00 0.00 N ATOM 1366 CA ARG A 81 -8.039 -12.414 -6.375 1.00 0.00 C ATOM 1367 C ARG A 81 -8.924 -12.734 -7.586 1.00 0.00 C ATOM 1368 O ARG A 81 -9.877 -13.481 -7.492 1.00 0.00 O ATOM 1369 CB ARG A 81 -8.864 -12.372 -5.082 1.00 0.00 C ATOM 1370 CG ARG A 81 -10.092 -11.476 -5.266 1.00 0.00 C ATOM 1371 CD ARG A 81 -11.337 -12.349 -5.434 1.00 0.00 C ATOM 1372 NE ARG A 81 -11.847 -12.041 -6.801 1.00 0.00 N ATOM 1373 CZ ARG A 81 -12.501 -10.929 -7.043 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -12.724 -10.059 -6.091 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -12.935 -10.687 -8.250 1.00 0.00 N ATOM 0 H ARG A 81 -8.102 -10.281 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.274 -13.189 -6.332 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.178 -13.380 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.251 -11.997 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.209 -10.819 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.962 -10.837 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.093 -13.407 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.084 -12.120 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.685 -12.704 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.388 -10.241 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.234 -9.199 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.765 -11.360 -8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.444 -9.825 -8.446 1.00 0.00 H new ATOM 1389 N GLN A 82 -8.614 -12.170 -8.722 1.00 0.00 N ATOM 1390 CA GLN A 82 -9.434 -12.437 -9.938 1.00 0.00 C ATOM 1391 C GLN A 82 -8.634 -13.263 -10.949 1.00 0.00 C ATOM 1392 O GLN A 82 -7.523 -13.678 -10.686 1.00 0.00 O ATOM 1393 CB GLN A 82 -9.759 -11.057 -10.510 1.00 0.00 C ATOM 1394 CG GLN A 82 -8.460 -10.341 -10.889 1.00 0.00 C ATOM 1395 CD GLN A 82 -8.787 -9.081 -11.692 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -8.110 -8.762 -12.648 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -9.806 -8.343 -11.340 1.00 0.00 N ATOM 0 H GLN A 82 -7.828 -11.535 -8.860 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.335 -13.005 -9.709 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.400 -11.157 -11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.310 -10.468 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.902 -10.078 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.825 -11.004 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.376 -8.610 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.032 -7.500 -11.868 1.00 0.00 H new ATOM 1406 N GLU A 83 -9.191 -13.504 -12.105 1.00 0.00 N ATOM 1407 CA GLU A 83 -8.464 -14.303 -13.133 1.00 0.00 C ATOM 1408 C GLU A 83 -7.255 -13.518 -13.654 1.00 0.00 C ATOM 1409 O GLU A 83 -7.344 -12.340 -13.939 1.00 0.00 O ATOM 1410 CB GLU A 83 -9.481 -14.525 -14.254 1.00 0.00 C ATOM 1411 CG GLU A 83 -10.305 -15.779 -13.960 1.00 0.00 C ATOM 1412 CD GLU A 83 -11.518 -15.406 -13.103 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -11.314 -14.961 -11.987 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -12.628 -15.572 -13.581 1.00 0.00 O ATOM 0 H GLU A 83 -10.118 -13.182 -12.382 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.085 -15.244 -12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.137 -13.659 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.967 -14.631 -15.209 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.633 -16.238 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.692 -16.516 -13.440 1.00 0.00 H new ATOM 1421 N ALA A 84 -6.128 -14.162 -13.782 1.00 0.00 N ATOM 1422 CA ALA A 84 -4.916 -13.453 -14.286 1.00 0.00 C ATOM 1423 C ALA A 84 -4.843 -13.547 -15.810 1.00 0.00 C ATOM 1424 O ALA A 84 -5.074 -12.586 -16.516 1.00 0.00 O ATOM 1425 CB ALA A 84 -3.733 -14.186 -13.655 1.00 0.00 C ATOM 0 H ALA A 84 -5.993 -15.148 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.926 -12.394 -14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.802 -13.721 -13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.808 -14.130 -12.569 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.744 -15.231 -13.966 1.00 0.00 H new ATOM 1431 N ARG A 85 -4.518 -14.701 -16.320 1.00 0.00 N ATOM 1432 CA ARG A 85 -4.422 -14.862 -17.797 1.00 0.00 C ATOM 1433 C ARG A 85 -4.593 -16.343 -18.174 1.00 0.00 C ATOM 1434 O ARG A 85 -5.415 -17.037 -17.612 1.00 0.00 O ATOM 1435 CB ARG A 85 -3.025 -14.346 -18.149 1.00 0.00 C ATOM 1436 CG ARG A 85 -1.969 -15.199 -17.443 1.00 0.00 C ATOM 1437 CD ARG A 85 -0.818 -15.489 -18.408 1.00 0.00 C ATOM 1438 NE ARG A 85 0.081 -16.418 -17.664 1.00 0.00 N ATOM 1439 CZ ARG A 85 1.329 -16.589 -18.036 1.00 0.00 C ATOM 1440 NH1 ARG A 85 1.816 -15.949 -19.070 1.00 0.00 N ATOM 1441 NH2 ARG A 85 2.094 -17.406 -17.365 1.00 0.00 N ATOM 0 H ARG A 85 -4.314 -15.541 -15.778 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.196 -14.319 -18.339 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.874 -14.382 -19.228 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.925 -13.303 -17.848 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.596 -14.678 -16.561 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.412 -16.133 -17.098 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.180 -15.944 -19.330 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.296 -14.574 -18.687 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.278 -16.927 -16.856 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.224 -15.308 -19.598 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.787 -16.092 -19.347 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.722 -17.906 -16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.064 -17.544 -17.648 1.00 0.00 H new ATOM 1455 N GLU A 86 -3.835 -16.833 -19.118 1.00 0.00 N ATOM 1456 CA GLU A 86 -3.976 -18.263 -19.516 1.00 0.00 C ATOM 1457 C GLU A 86 -3.666 -19.181 -18.331 1.00 0.00 C ATOM 1458 O GLU A 86 -4.548 -19.784 -17.753 1.00 0.00 O ATOM 1459 CB GLU A 86 -2.954 -18.469 -20.634 1.00 0.00 C ATOM 1460 CG GLU A 86 -3.668 -18.461 -21.988 1.00 0.00 C ATOM 1461 CD GLU A 86 -2.730 -19.007 -23.065 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -1.681 -18.417 -23.265 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -3.077 -20.006 -23.675 1.00 0.00 O ATOM 0 H GLU A 86 -3.126 -16.307 -19.629 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.989 -18.499 -19.841 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.202 -17.681 -20.603 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.431 -19.415 -20.493 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.572 -19.068 -21.937 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.978 -17.447 -22.241 1.00 0.00 H new ATOM 1470 N GLY A 87 -2.418 -19.295 -17.965 1.00 0.00 N ATOM 1471 CA GLY A 87 -2.056 -20.175 -16.818 1.00 0.00 C ATOM 1472 C GLY A 87 -1.016 -21.204 -17.268 1.00 0.00 C ATOM 1473 O GLY A 87 -1.131 -22.381 -16.985 1.00 0.00 O ATOM 0 H GLY A 87 -1.635 -18.817 -18.410 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.659 -19.576 -15.998 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.944 -20.682 -16.441 1.00 0.00 H new ATOM 1477 N ALA A 88 0.000 -20.772 -17.964 1.00 0.00 N ATOM 1478 CA ALA A 88 1.046 -21.728 -18.426 1.00 0.00 C ATOM 1479 C ALA A 88 2.213 -21.755 -17.436 1.00 0.00 C ATOM 1480 O ALA A 88 2.695 -22.838 -17.149 1.00 0.00 O ATOM 1481 CB ALA A 88 1.505 -21.191 -19.782 1.00 0.00 C ATOM 1482 OXT ALA A 88 2.603 -20.692 -16.982 1.00 0.00 O ATOM 0 H ALA A 88 0.151 -19.800 -18.232 1.00 0.00 H new ATOM 0 HA ALA A 88 0.669 -22.748 -18.499 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.278 -21.843 -20.189 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.658 -21.161 -20.467 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.907 -20.185 -19.658 1.00 0.00 H new TER 1488 ALA A 88