USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 584 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 42 HIS : no HD1:sc= -0.262 K(o=-0.49,f=-8.2!) USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= -0.231 F(o=-1.3,f=-0.49) USER MOD Single : A 1 ALA N :NH3+ -176:sc= 0 (180deg=-0.00852) USER MOD Single : A 4 THR OG1 : rot -73:sc= 0.97 USER MOD Single : A 12 GLN : amide:sc= 2.93 K(o=2.9,f=-8.3!) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.046) USER MOD Single : A 17 THR OG1 : rot -19:sc= 0.707 USER MOD Single : A 22 SER OG : rot -170:sc= -0.0146 USER MOD Single : A 26 LYS NZ :NH3+ -119:sc= 0.102 (180deg=-0.0215) USER MOD Single : A 27 SER OG : rot -36:sc= 0.579 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.61 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.107 USER MOD Single : A 45 SER OG : rot 75:sc= 1.22 USER MOD Single : A 46 HIS : no HD1:sc= 0.00739 K(o=0.0074,f=-7.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.104 K(o=-0.1,f=-3.3!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.39! K(o=-3.4!,f=-4) USER MOD Single : A 58 THR OG1 : rot 29:sc= 0.0917 USER MOD Single : A 64 ASN : amide:sc= 1.11 K(o=1.1,f=-0.83) USER MOD Single : A 69 GLN : amide:sc= 0.918 K(o=0.92,f=-5.5!) USER MOD Single : A 70 THR OG1 : rot -50:sc= 0.867 USER MOD Single : A 71 SER OG : rot 180:sc= -0.172 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.22 (180deg=0.0587) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc=-0.00132 (180deg=-0.107) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 0.652 (180deg=0.527) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.874 1.186 -15.060 1.00 0.00 N ATOM 2 CA ALA A 1 14.576 0.542 -14.925 1.00 0.00 C ATOM 3 C ALA A 1 14.617 -0.477 -13.785 1.00 0.00 C ATOM 4 O ALA A 1 13.771 -0.448 -12.893 1.00 0.00 O ATOM 5 CB ALA A 1 14.191 -0.124 -16.250 1.00 0.00 C ATOM 0 H1 ALA A 1 15.821 1.925 -15.790 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.145 1.616 -14.152 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.586 0.479 -15.334 1.00 0.00 H new ATOM 0 HA ALA A 1 13.819 1.289 -14.684 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.219 -0.606 -16.146 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.140 0.630 -17.035 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.940 -0.871 -16.513 1.00 0.00 H new ATOM 12 N VAL A 2 15.634 -1.347 -13.801 1.00 0.00 N ATOM 13 CA VAL A 2 15.856 -2.407 -12.818 1.00 0.00 C ATOM 14 C VAL A 2 15.752 -1.898 -11.375 1.00 0.00 C ATOM 15 O VAL A 2 15.313 -2.629 -10.490 1.00 0.00 O ATOM 16 CB VAL A 2 17.200 -3.113 -13.080 1.00 0.00 C ATOM 17 CG1 VAL A 2 17.189 -3.817 -14.443 1.00 0.00 C ATOM 18 CG2 VAL A 2 18.405 -2.164 -13.003 1.00 0.00 C ATOM 0 H VAL A 2 16.350 -1.329 -14.527 1.00 0.00 H new ATOM 0 HA VAL A 2 15.057 -3.139 -12.939 1.00 0.00 H new ATOM 0 HB VAL A 2 17.313 -3.849 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.148 -4.309 -14.606 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.392 -4.561 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.019 -3.083 -15.230 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.321 -2.722 -13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.296 -1.376 -13.748 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.455 -1.719 -12.009 1.00 0.00 H new ATOM 28 N ILE A 3 16.128 -0.633 -11.152 1.00 0.00 N ATOM 29 CA ILE A 3 16.047 0.046 -9.863 1.00 0.00 C ATOM 30 C ILE A 3 14.662 -0.165 -9.234 1.00 0.00 C ATOM 31 O ILE A 3 14.567 -0.279 -8.015 1.00 0.00 O ATOM 32 CB ILE A 3 16.389 1.542 -10.040 1.00 0.00 C ATOM 33 CG1 ILE A 3 17.827 1.700 -10.576 1.00 0.00 C ATOM 34 CG2 ILE A 3 16.238 2.304 -8.712 1.00 0.00 C ATOM 35 CD1 ILE A 3 18.187 3.148 -10.926 1.00 0.00 C ATOM 0 H ILE A 3 16.508 -0.040 -11.889 1.00 0.00 H new ATOM 0 HA ILE A 3 16.777 -0.381 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 3 15.689 1.966 -10.760 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.529 1.329 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.947 1.078 -11.463 1.00 0.00 H new ATOM 0 HG21 ILE A 3 16.485 3.355 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.210 2.220 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.912 1.878 -7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 3 19.211 3.189 -11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.508 3.516 -11.695 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.098 3.770 -10.036 1.00 0.00 H new ATOM 47 N THR A 4 13.603 -0.190 -10.059 1.00 0.00 N ATOM 48 CA THR A 4 12.214 -0.440 -9.673 1.00 0.00 C ATOM 49 C THR A 4 11.789 0.284 -8.385 1.00 0.00 C ATOM 50 O THR A 4 10.962 -0.214 -7.626 1.00 0.00 O ATOM 51 CB THR A 4 11.947 -1.961 -9.631 1.00 0.00 C ATOM 52 OG1 THR A 4 12.961 -2.663 -8.938 1.00 0.00 O ATOM 53 CG2 THR A 4 11.852 -2.548 -11.043 1.00 0.00 C ATOM 0 H THR A 4 13.702 -0.028 -11.061 1.00 0.00 H new ATOM 0 HA THR A 4 11.576 -0.002 -10.440 1.00 0.00 H new ATOM 0 HB THR A 4 11.000 -2.081 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.770 -2.700 -9.491 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.664 -3.620 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.036 -2.067 -11.583 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.789 -2.375 -11.573 1.00 0.00 H new ATOM 61 N GLY A 5 12.318 1.491 -8.158 1.00 0.00 N ATOM 62 CA GLY A 5 12.032 2.273 -6.964 1.00 0.00 C ATOM 63 C GLY A 5 12.290 1.480 -5.680 1.00 0.00 C ATOM 64 O GLY A 5 11.525 1.601 -4.724 1.00 0.00 O ATOM 0 H GLY A 5 12.959 1.950 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.648 3.172 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.992 2.599 -6.985 1.00 0.00 H new ATOM 68 N ALA A 6 13.352 0.665 -5.659 1.00 0.00 N ATOM 69 CA ALA A 6 13.721 -0.140 -4.504 1.00 0.00 C ATOM 70 C ALA A 6 13.966 0.763 -3.294 1.00 0.00 C ATOM 71 O ALA A 6 14.711 1.738 -3.383 1.00 0.00 O ATOM 72 CB ALA A 6 14.952 -0.990 -4.825 1.00 0.00 C ATOM 0 H ALA A 6 13.980 0.550 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 6 12.902 -0.817 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.219 -1.588 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.730 -1.650 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.786 -0.339 -5.087 1.00 0.00 H new ATOM 78 N CYS A 7 13.296 0.459 -2.185 1.00 0.00 N ATOM 79 CA CYS A 7 13.309 1.230 -0.951 1.00 0.00 C ATOM 80 C CYS A 7 13.309 0.317 0.267 1.00 0.00 C ATOM 81 O CYS A 7 13.226 -0.905 0.156 1.00 0.00 O ATOM 82 CB CYS A 7 12.046 2.093 -0.926 1.00 0.00 C ATOM 83 SG CYS A 7 10.534 1.103 -1.000 1.00 0.00 S ATOM 0 H CYS A 7 12.704 -0.369 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 7 14.211 1.841 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.039 2.695 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.065 2.785 -1.768 1.00 0.00 H new ATOM 88 N GLU A 8 13.363 0.957 1.435 1.00 0.00 N ATOM 89 CA GLU A 8 13.266 0.358 2.752 1.00 0.00 C ATOM 90 C GLU A 8 12.147 1.045 3.556 1.00 0.00 C ATOM 91 O GLU A 8 11.481 0.371 4.336 1.00 0.00 O ATOM 92 CB GLU A 8 14.609 0.439 3.489 1.00 0.00 C ATOM 93 CG GLU A 8 15.785 -0.171 2.708 1.00 0.00 C ATOM 94 CD GLU A 8 16.357 0.778 1.654 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.788 1.883 2.055 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.356 0.388 0.468 1.00 0.00 O ATOM 0 H GLU A 8 13.483 1.969 1.482 1.00 0.00 H new ATOM 0 HA GLU A 8 13.017 -0.697 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.832 1.484 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.518 -0.072 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.574 -0.447 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.454 -1.089 2.222 1.00 0.00 H new ATOM 103 N ARG A 9 11.930 2.361 3.386 1.00 0.00 N ATOM 104 CA ARG A 9 10.892 3.119 4.089 1.00 0.00 C ATOM 105 C ARG A 9 10.200 4.111 3.148 1.00 0.00 C ATOM 106 O ARG A 9 10.833 4.615 2.221 1.00 0.00 O ATOM 107 CB ARG A 9 11.463 3.907 5.277 1.00 0.00 C ATOM 108 CG ARG A 9 12.496 3.175 6.145 1.00 0.00 C ATOM 109 CD ARG A 9 13.921 3.480 5.670 1.00 0.00 C ATOM 110 NE ARG A 9 14.899 2.609 6.334 1.00 0.00 N ATOM 111 CZ ARG A 9 16.179 2.470 5.959 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.664 3.158 4.919 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.972 1.628 6.629 1.00 0.00 N ATOM 0 H ARG A 9 12.482 2.932 2.746 1.00 0.00 H new ATOM 0 HA ARG A 9 10.174 2.385 4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.922 4.818 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.634 4.212 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.382 3.477 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.316 2.101 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.984 3.345 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.160 4.523 5.876 1.00 0.00 H new ATOM 0 HE ARG A 9 14.581 2.070 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.059 3.796 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.639 3.044 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.602 1.098 7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.947 1.516 6.351 1.00 0.00 H new ATOM 127 N ASP A 10 8.929 4.436 3.428 1.00 0.00 N ATOM 128 CA ASP A 10 8.102 5.343 2.624 1.00 0.00 C ATOM 129 C ASP A 10 8.814 6.670 2.363 1.00 0.00 C ATOM 130 O ASP A 10 8.887 7.158 1.233 1.00 0.00 O ATOM 131 CB ASP A 10 6.805 5.700 3.374 1.00 0.00 C ATOM 132 CG ASP A 10 5.782 4.597 3.542 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.015 3.438 3.142 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.727 4.917 4.130 1.00 0.00 O ATOM 0 H ASP A 10 8.437 4.065 4.241 1.00 0.00 H new ATOM 0 HA ASP A 10 7.899 4.821 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.076 6.064 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.328 6.528 2.850 1.00 0.00 H new ATOM 139 N LEU A 11 9.302 7.259 3.458 1.00 0.00 N ATOM 140 CA LEU A 11 9.946 8.561 3.529 1.00 0.00 C ATOM 141 C LEU A 11 10.975 8.782 2.417 1.00 0.00 C ATOM 142 O LEU A 11 11.128 9.902 1.938 1.00 0.00 O ATOM 143 CB LEU A 11 10.575 8.711 4.923 1.00 0.00 C ATOM 144 CG LEU A 11 11.195 10.091 5.202 1.00 0.00 C ATOM 145 CD1 LEU A 11 10.153 11.215 5.142 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.834 10.073 6.595 1.00 0.00 C ATOM 0 H LEU A 11 9.252 6.807 4.371 1.00 0.00 H new ATOM 0 HA LEU A 11 9.192 9.332 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.811 8.512 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.346 7.950 5.043 1.00 0.00 H new ATOM 0 HG LEU A 11 11.940 10.288 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.636 12.171 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.702 11.240 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.379 11.034 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.277 11.046 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.072 9.853 7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.608 9.307 6.630 1.00 0.00 H new ATOM 158 N GLN A 12 11.678 7.723 2.006 1.00 0.00 N ATOM 159 CA GLN A 12 12.693 7.804 0.967 1.00 0.00 C ATOM 160 C GLN A 12 12.117 8.302 -0.364 1.00 0.00 C ATOM 161 O GLN A 12 12.836 8.935 -1.133 1.00 0.00 O ATOM 162 CB GLN A 12 13.365 6.435 0.813 1.00 0.00 C ATOM 163 CG GLN A 12 13.992 5.990 2.141 1.00 0.00 C ATOM 164 CD GLN A 12 14.646 4.624 2.015 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.952 3.622 1.886 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.971 4.546 2.083 1.00 0.00 N ATOM 0 H GLN A 12 11.555 6.786 2.389 1.00 0.00 H new ATOM 0 HA GLN A 12 13.440 8.539 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.631 5.698 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.133 6.485 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.734 6.723 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.225 5.958 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.527 5.394 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.432 3.638 2.028 1.00 0.00 H new ATOM 175 N CYS A 13 10.840 8.011 -0.639 1.00 0.00 N ATOM 176 CA CYS A 13 10.158 8.425 -1.863 1.00 0.00 C ATOM 177 C CYS A 13 9.159 9.537 -1.565 1.00 0.00 C ATOM 178 O CYS A 13 9.102 10.520 -2.301 1.00 0.00 O ATOM 179 CB CYS A 13 9.487 7.227 -2.529 1.00 0.00 C ATOM 180 SG CYS A 13 10.668 6.081 -3.271 1.00 0.00 S ATOM 0 H CYS A 13 10.247 7.474 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 13 10.894 8.822 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.888 6.695 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.801 7.583 -3.298 1.00 0.00 H new ATOM 185 N GLY A 14 8.374 9.392 -0.494 1.00 0.00 N ATOM 186 CA GLY A 14 7.434 10.413 -0.057 1.00 0.00 C ATOM 187 C GLY A 14 5.969 10.009 -0.220 1.00 0.00 C ATOM 188 O GLY A 14 5.641 9.026 -0.885 1.00 0.00 O ATOM 0 H GLY A 14 8.377 8.558 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.624 10.644 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.615 11.327 -0.623 1.00 0.00 H new ATOM 192 N LYS A 15 5.109 10.850 0.368 1.00 0.00 N ATOM 193 CA LYS A 15 3.660 10.729 0.530 1.00 0.00 C ATOM 194 C LYS A 15 2.902 10.148 -0.666 1.00 0.00 C ATOM 195 O LYS A 15 1.940 9.410 -0.478 1.00 0.00 O ATOM 196 CB LYS A 15 3.058 12.102 0.884 1.00 0.00 C ATOM 197 CG LYS A 15 3.813 12.924 1.941 1.00 0.00 C ATOM 198 CD LYS A 15 4.005 12.164 3.261 1.00 0.00 C ATOM 199 CE LYS A 15 4.743 13.026 4.292 1.00 0.00 C ATOM 200 NZ LYS A 15 6.151 13.254 3.919 1.00 0.00 N ATOM 0 H LYS A 15 5.448 11.718 0.783 1.00 0.00 H new ATOM 0 HA LYS A 15 3.533 10.006 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.995 12.694 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.038 11.948 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.788 13.208 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.267 13.847 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.034 11.868 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.567 11.248 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.235 13.985 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.701 12.540 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.646 13.723 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.609 12.342 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.193 13.858 3.073 1.00 0.00 H new ATOM 214 N GLY A 16 3.296 10.499 -1.893 1.00 0.00 N ATOM 215 CA GLY A 16 2.641 9.999 -3.097 1.00 0.00 C ATOM 216 C GLY A 16 2.801 8.485 -3.277 1.00 0.00 C ATOM 217 O GLY A 16 2.157 7.890 -4.142 1.00 0.00 O ATOM 0 H GLY A 16 4.073 11.134 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.580 10.245 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.053 10.509 -3.968 1.00 0.00 H new ATOM 221 N THR A 17 3.672 7.854 -2.489 1.00 0.00 N ATOM 222 CA THR A 17 3.947 6.435 -2.556 1.00 0.00 C ATOM 223 C THR A 17 4.104 5.880 -1.140 1.00 0.00 C ATOM 224 O THR A 17 4.107 6.636 -0.170 1.00 0.00 O ATOM 225 CB THR A 17 5.269 6.242 -3.325 1.00 0.00 C ATOM 226 OG1 THR A 17 6.333 6.886 -2.644 1.00 0.00 O ATOM 227 CG2 THR A 17 5.242 6.791 -4.755 1.00 0.00 C ATOM 0 H THR A 17 4.215 8.335 -1.772 1.00 0.00 H new ATOM 0 HA THR A 17 3.132 5.914 -3.057 1.00 0.00 H new ATOM 0 HB THR A 17 5.413 5.163 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.969 7.556 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.208 6.617 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.462 6.286 -5.324 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.037 7.861 -4.730 1.00 0.00 H new ATOM 235 N CYS A 18 4.240 4.559 -1.032 1.00 0.00 N ATOM 236 CA CYS A 18 4.584 3.866 0.195 1.00 0.00 C ATOM 237 C CYS A 18 5.547 2.740 -0.186 1.00 0.00 C ATOM 238 O CYS A 18 5.476 2.198 -1.293 1.00 0.00 O ATOM 239 CB CYS A 18 3.342 3.374 0.943 1.00 0.00 C ATOM 240 SG CYS A 18 3.014 1.606 0.783 1.00 0.00 S ATOM 0 H CYS A 18 4.109 3.929 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 18 5.071 4.540 0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.453 3.615 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.474 3.925 0.580 1.00 0.00 H new ATOM 245 N CYS A 19 6.472 2.406 0.709 1.00 0.00 N ATOM 246 CA CYS A 19 7.490 1.402 0.468 1.00 0.00 C ATOM 247 C CYS A 19 6.928 0.009 0.745 1.00 0.00 C ATOM 248 O CYS A 19 7.122 -0.553 1.823 1.00 0.00 O ATOM 249 CB CYS A 19 8.714 1.725 1.318 1.00 0.00 C ATOM 250 SG CYS A 19 10.068 0.609 0.959 1.00 0.00 S ATOM 0 H CYS A 19 6.532 2.834 1.633 1.00 0.00 H new ATOM 0 HA CYS A 19 7.799 1.411 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.028 2.752 1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.454 1.657 2.374 1.00 0.00 H new ATOM 255 N ALA A 20 6.187 -0.533 -0.223 1.00 0.00 N ATOM 256 CA ALA A 20 5.512 -1.818 -0.090 1.00 0.00 C ATOM 257 C ALA A 20 6.462 -2.991 -0.324 1.00 0.00 C ATOM 258 O ALA A 20 7.474 -2.850 -1.004 1.00 0.00 O ATOM 259 CB ALA A 20 4.345 -1.878 -1.071 1.00 0.00 C ATOM 0 H ALA A 20 6.039 -0.086 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 20 5.143 -1.904 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.838 -2.838 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.644 -1.073 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.719 -1.766 -2.089 1.00 0.00 H new ATOM 265 N VAL A 21 6.132 -4.158 0.232 1.00 0.00 N ATOM 266 CA VAL A 21 6.926 -5.375 0.092 1.00 0.00 C ATOM 267 C VAL A 21 6.983 -5.809 -1.378 1.00 0.00 C ATOM 268 O VAL A 21 6.032 -5.575 -2.123 1.00 0.00 O ATOM 269 CB VAL A 21 6.279 -6.478 0.962 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.922 -7.862 0.805 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.378 -6.096 2.438 1.00 0.00 C ATOM 0 H VAL A 21 5.294 -4.284 0.800 1.00 0.00 H new ATOM 0 HA VAL A 21 7.949 -5.195 0.424 1.00 0.00 H new ATOM 0 HB VAL A 21 5.247 -6.548 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.409 -8.577 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.841 -8.185 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.974 -7.809 1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.921 -6.876 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.426 -5.986 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.858 -5.153 2.605 1.00 0.00 H new ATOM 281 N SER A 22 8.072 -6.464 -1.801 1.00 0.00 N ATOM 282 CA SER A 22 8.175 -7.060 -3.119 1.00 0.00 C ATOM 283 C SER A 22 7.747 -8.528 -2.988 1.00 0.00 C ATOM 284 O SER A 22 8.465 -9.324 -2.386 1.00 0.00 O ATOM 285 CB SER A 22 9.617 -6.925 -3.599 1.00 0.00 C ATOM 286 OG SER A 22 10.054 -5.593 -3.444 1.00 0.00 O ATOM 0 H SER A 22 8.906 -6.590 -1.227 1.00 0.00 H new ATOM 0 HA SER A 22 7.534 -6.568 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.262 -7.596 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.690 -7.221 -4.646 1.00 0.00 H new ATOM 0 HG SER A 22 10.916 -5.477 -3.895 1.00 0.00 H new ATOM 292 N LEU A 23 6.578 -8.886 -3.535 1.00 0.00 N ATOM 293 CA LEU A 23 5.954 -10.210 -3.427 1.00 0.00 C ATOM 294 C LEU A 23 6.900 -11.408 -3.530 1.00 0.00 C ATOM 295 O LEU A 23 6.717 -12.382 -2.806 1.00 0.00 O ATOM 296 CB LEU A 23 4.820 -10.350 -4.459 1.00 0.00 C ATOM 297 CG LEU A 23 3.506 -9.731 -3.970 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.512 -9.495 -5.097 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.797 -10.644 -2.968 1.00 0.00 C ATOM 0 H LEU A 23 6.019 -8.235 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 23 5.568 -10.245 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.119 -9.871 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.661 -11.406 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 23 3.797 -8.784 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.600 -9.055 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.948 -8.816 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.275 -10.444 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.869 -10.175 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.573 -11.600 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.443 -10.809 -2.106 1.00 0.00 H new ATOM 311 N TRP A 24 7.910 -11.343 -4.399 1.00 0.00 N ATOM 312 CA TRP A 24 8.783 -12.480 -4.666 1.00 0.00 C ATOM 313 C TRP A 24 10.103 -12.421 -3.893 1.00 0.00 C ATOM 314 O TRP A 24 10.935 -13.309 -4.057 1.00 0.00 O ATOM 315 CB TRP A 24 8.979 -12.581 -6.184 1.00 0.00 C ATOM 316 CG TRP A 24 7.675 -12.663 -6.920 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.964 -13.796 -7.113 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.817 -11.574 -7.377 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.721 -13.491 -7.627 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.563 -12.128 -7.769 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.951 -10.170 -7.453 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.482 -11.328 -8.168 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.874 -9.359 -7.860 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.627 -9.933 -8.163 1.00 0.00 C ATOM 0 H TRP A 24 8.142 -10.505 -4.933 1.00 0.00 H new ATOM 0 HA TRP A 24 8.309 -13.391 -4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.538 -11.714 -6.535 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.579 -13.461 -6.413 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.317 -14.793 -6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.012 -14.182 -7.870 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.894 -9.711 -7.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.551 -11.780 -8.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.007 -8.290 -7.940 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.782 -9.301 -8.392 1.00 0.00 H new ATOM 335 N ILE A 25 10.301 -11.410 -3.038 1.00 0.00 N ATOM 336 CA ILE A 25 11.492 -11.278 -2.219 1.00 0.00 C ATOM 337 C ILE A 25 11.212 -10.342 -1.037 1.00 0.00 C ATOM 338 O ILE A 25 11.380 -9.128 -1.123 1.00 0.00 O ATOM 339 CB ILE A 25 12.705 -10.877 -3.081 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.944 -10.677 -2.191 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.435 -9.651 -3.962 1.00 0.00 C ATOM 342 CD1 ILE A 25 15.252 -10.620 -2.987 1.00 0.00 C ATOM 0 H ILE A 25 9.626 -10.658 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 25 11.759 -12.241 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 25 12.899 -11.698 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.831 -9.754 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.000 -11.491 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.326 -9.418 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.606 -9.863 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.181 -8.799 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.088 -10.478 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.386 -11.553 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.214 -9.789 -3.691 1.00 0.00 H new ATOM 354 N LYS A 26 10.852 -10.924 0.111 1.00 0.00 N ATOM 355 CA LYS A 26 10.569 -10.201 1.351 1.00 0.00 C ATOM 356 C LYS A 26 11.741 -9.303 1.792 1.00 0.00 C ATOM 357 O LYS A 26 11.561 -8.405 2.616 1.00 0.00 O ATOM 358 CB LYS A 26 10.221 -11.230 2.445 1.00 0.00 C ATOM 359 CG LYS A 26 9.433 -10.644 3.627 1.00 0.00 C ATOM 360 CD LYS A 26 7.937 -10.544 3.295 1.00 0.00 C ATOM 361 CE LYS A 26 7.169 -9.700 4.320 1.00 0.00 C ATOM 362 NZ LYS A 26 7.252 -10.270 5.677 1.00 0.00 N ATOM 0 H LYS A 26 10.747 -11.934 0.204 1.00 0.00 H new ATOM 0 HA LYS A 26 9.726 -9.531 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.640 -12.037 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.144 -11.672 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.573 -11.270 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.821 -9.656 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.815 -10.107 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.508 -11.545 3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.569 -8.686 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.124 -9.628 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.297 -10.509 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.837 -11.129 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.680 -9.574 6.320 1.00 0.00 H new ATOM 376 N SER A 27 12.947 -9.545 1.264 1.00 0.00 N ATOM 377 CA SER A 27 14.131 -8.774 1.609 1.00 0.00 C ATOM 378 C SER A 27 14.215 -7.457 0.831 1.00 0.00 C ATOM 379 O SER A 27 15.141 -6.690 1.091 1.00 0.00 O ATOM 380 CB SER A 27 15.393 -9.616 1.380 1.00 0.00 C ATOM 381 OG SER A 27 16.520 -8.951 1.916 1.00 0.00 O ATOM 0 H SER A 27 13.122 -10.285 0.584 1.00 0.00 H new ATOM 0 HA SER A 27 14.056 -8.515 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.279 -10.593 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.536 -9.790 0.314 1.00 0.00 H new ATOM 0 HG SER A 27 16.427 -7.985 1.778 1.00 0.00 H new ATOM 387 N VAL A 28 13.326 -7.209 -0.140 1.00 0.00 N ATOM 388 CA VAL A 28 13.319 -5.975 -0.913 1.00 0.00 C ATOM 389 C VAL A 28 11.899 -5.418 -0.900 1.00 0.00 C ATOM 390 O VAL A 28 10.910 -6.156 -0.887 1.00 0.00 O ATOM 391 CB VAL A 28 13.847 -6.211 -2.340 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.808 -4.931 -3.188 1.00 0.00 C ATOM 393 CG2 VAL A 28 15.289 -6.735 -2.309 1.00 0.00 C ATOM 0 H VAL A 28 12.592 -7.865 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 28 13.991 -5.242 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 28 13.190 -6.953 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.189 -5.144 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.781 -4.574 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.426 -4.165 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.640 -6.894 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.930 -6.006 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.322 -7.678 -1.763 1.00 0.00 H new ATOM 403 N ARG A 29 11.792 -4.093 -0.907 1.00 0.00 N ATOM 404 CA ARG A 29 10.541 -3.366 -0.875 1.00 0.00 C ATOM 405 C ARG A 29 10.651 -2.314 -1.975 1.00 0.00 C ATOM 406 O ARG A 29 11.767 -1.918 -2.316 1.00 0.00 O ATOM 407 CB ARG A 29 10.349 -2.779 0.530 1.00 0.00 C ATOM 408 CG ARG A 29 10.741 -3.786 1.609 1.00 0.00 C ATOM 409 CD ARG A 29 10.396 -3.248 2.995 1.00 0.00 C ATOM 410 NE ARG A 29 9.644 -4.248 3.747 1.00 0.00 N ATOM 411 CZ ARG A 29 10.079 -5.479 4.057 1.00 0.00 C ATOM 412 NH1 ARG A 29 11.333 -5.856 3.789 1.00 0.00 N ATOM 413 NH2 ARG A 29 9.234 -6.333 4.636 1.00 0.00 N ATOM 0 H ARG A 29 12.607 -3.480 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 29 9.662 -3.983 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.951 -1.877 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.308 -2.485 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.222 -4.730 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.809 -3.994 1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.309 -2.989 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.810 -2.334 2.903 1.00 0.00 H new ATOM 0 HE ARG A 29 8.709 -3.989 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.977 -5.204 3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.646 -6.796 4.032 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.276 -6.046 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.546 -7.273 4.879 1.00 0.00 H new ATOM 427 N VAL A 30 9.533 -1.901 -2.571 1.00 0.00 N ATOM 428 CA VAL A 30 9.517 -0.967 -3.686 1.00 0.00 C ATOM 429 C VAL A 30 8.467 0.126 -3.465 1.00 0.00 C ATOM 430 O VAL A 30 7.370 -0.118 -2.948 1.00 0.00 O ATOM 431 CB VAL A 30 9.324 -1.715 -5.017 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.548 -2.560 -5.393 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.094 -2.629 -5.001 1.00 0.00 C ATOM 0 H VAL A 30 8.604 -2.212 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 30 10.484 -0.466 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 30 9.181 -0.933 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.363 -3.068 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.420 -1.913 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.733 -3.300 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.003 -3.133 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.203 -3.372 -4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.200 -2.033 -4.818 1.00 0.00 H new ATOM 443 N CYS A 31 8.832 1.355 -3.839 1.00 0.00 N ATOM 444 CA CYS A 31 7.992 2.537 -3.706 1.00 0.00 C ATOM 445 C CYS A 31 6.802 2.400 -4.639 1.00 0.00 C ATOM 446 O CYS A 31 6.883 2.711 -5.825 1.00 0.00 O ATOM 447 CB CYS A 31 8.779 3.813 -3.996 1.00 0.00 C ATOM 448 SG CYS A 31 9.936 4.238 -2.684 1.00 0.00 S ATOM 0 H CYS A 31 9.743 1.555 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 31 7.638 2.613 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.327 3.691 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.082 4.639 -4.140 1.00 0.00 H new ATOM 453 N THR A 32 5.693 1.934 -4.082 1.00 0.00 N ATOM 454 CA THR A 32 4.461 1.668 -4.793 1.00 0.00 C ATOM 455 C THR A 32 3.527 2.862 -4.555 1.00 0.00 C ATOM 456 O THR A 32 3.518 3.389 -3.443 1.00 0.00 O ATOM 457 CB THR A 32 3.915 0.345 -4.242 1.00 0.00 C ATOM 458 OG1 THR A 32 4.915 -0.648 -4.388 1.00 0.00 O ATOM 459 CG2 THR A 32 2.644 -0.124 -4.952 1.00 0.00 C ATOM 0 H THR A 32 5.629 1.725 -3.086 1.00 0.00 H new ATOM 0 HA THR A 32 4.582 1.562 -5.871 1.00 0.00 H new ATOM 0 HB THR A 32 3.654 0.508 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.642 -0.476 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.309 -1.065 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.864 0.628 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.852 -0.270 -6.012 1.00 0.00 H new ATOM 467 N PRO A 33 2.795 3.357 -5.566 1.00 0.00 N ATOM 468 CA PRO A 33 1.872 4.471 -5.390 1.00 0.00 C ATOM 469 C PRO A 33 0.863 4.232 -4.265 1.00 0.00 C ATOM 470 O PRO A 33 0.527 3.086 -3.967 1.00 0.00 O ATOM 471 CB PRO A 33 1.148 4.616 -6.731 1.00 0.00 C ATOM 472 CG PRO A 33 2.172 4.094 -7.736 1.00 0.00 C ATOM 473 CD PRO A 33 2.861 2.967 -6.966 1.00 0.00 C ATOM 0 HA PRO A 33 2.416 5.371 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.226 4.035 -6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.877 5.652 -6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.696 3.729 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.877 4.870 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.359 2.014 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.894 2.844 -7.291 1.00 0.00 H new ATOM 481 N VAL A 34 0.375 5.313 -3.643 1.00 0.00 N ATOM 482 CA VAL A 34 -0.711 5.202 -2.670 1.00 0.00 C ATOM 483 C VAL A 34 -1.908 4.511 -3.341 1.00 0.00 C ATOM 484 O VAL A 34 -2.073 4.588 -4.561 1.00 0.00 O ATOM 485 CB VAL A 34 -1.141 6.579 -2.128 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.277 7.045 -0.956 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.152 7.663 -3.210 1.00 0.00 C ATOM 0 H VAL A 34 0.713 6.263 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.355 4.615 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.161 6.434 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.624 8.020 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.352 6.326 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.762 7.122 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.462 8.611 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.152 7.768 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.850 7.382 -3.999 1.00 0.00 H new ATOM 497 N GLY A 35 -2.754 3.837 -2.557 1.00 0.00 N ATOM 498 CA GLY A 35 -3.910 3.151 -3.112 1.00 0.00 C ATOM 499 C GLY A 35 -4.824 4.122 -3.857 1.00 0.00 C ATOM 500 O GLY A 35 -4.907 5.298 -3.515 1.00 0.00 O ATOM 0 H GLY A 35 -2.656 3.755 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.579 2.366 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.467 2.665 -2.311 1.00 0.00 H new ATOM 504 N THR A 36 -5.517 3.638 -4.880 1.00 0.00 N ATOM 505 CA THR A 36 -6.417 4.427 -5.711 1.00 0.00 C ATOM 506 C THR A 36 -7.689 3.607 -5.941 1.00 0.00 C ATOM 507 O THR A 36 -7.732 2.432 -5.581 1.00 0.00 O ATOM 508 CB THR A 36 -5.713 4.781 -7.032 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.015 3.658 -7.530 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.718 5.930 -6.842 1.00 0.00 C ATOM 0 H THR A 36 -5.467 2.659 -5.162 1.00 0.00 H new ATOM 0 HA THR A 36 -6.688 5.365 -5.225 1.00 0.00 H new ATOM 0 HB THR A 36 -6.483 5.089 -7.739 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.572 3.895 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.237 6.156 -7.794 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.246 6.813 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.961 5.639 -6.113 1.00 0.00 H new ATOM 518 N SER A 37 -8.724 4.224 -6.515 1.00 0.00 N ATOM 519 CA SER A 37 -10.029 3.644 -6.780 1.00 0.00 C ATOM 520 C SER A 37 -9.984 2.184 -7.249 1.00 0.00 C ATOM 521 O SER A 37 -9.571 1.910 -8.373 1.00 0.00 O ATOM 522 CB SER A 37 -10.705 4.533 -7.829 1.00 0.00 C ATOM 523 OG SER A 37 -10.424 5.892 -7.531 1.00 0.00 O ATOM 0 H SER A 37 -8.664 5.195 -6.822 1.00 0.00 H new ATOM 0 HA SER A 37 -10.591 3.612 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.341 4.283 -8.826 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.782 4.362 -7.830 1.00 0.00 H new ATOM 0 HG SER A 37 -10.851 6.468 -8.198 1.00 0.00 H new ATOM 529 N GLY A 38 -10.423 1.252 -6.398 1.00 0.00 N ATOM 530 CA GLY A 38 -10.510 -0.163 -6.732 1.00 0.00 C ATOM 531 C GLY A 38 -9.228 -0.957 -6.475 1.00 0.00 C ATOM 532 O GLY A 38 -9.248 -2.180 -6.605 1.00 0.00 O ATOM 0 H GLY A 38 -10.730 1.466 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.320 -0.610 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.777 -0.259 -7.785 1.00 0.00 H new ATOM 536 N GLU A 39 -8.115 -0.311 -6.116 1.00 0.00 N ATOM 537 CA GLU A 39 -6.879 -1.016 -5.825 1.00 0.00 C ATOM 538 C GLU A 39 -7.079 -1.866 -4.567 1.00 0.00 C ATOM 539 O GLU A 39 -7.793 -1.450 -3.653 1.00 0.00 O ATOM 540 CB GLU A 39 -5.760 0.017 -5.646 1.00 0.00 C ATOM 541 CG GLU A 39 -4.387 -0.592 -5.345 1.00 0.00 C ATOM 542 CD GLU A 39 -3.932 -1.588 -6.408 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.290 -2.778 -6.260 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.246 -1.139 -7.351 1.00 0.00 O ATOM 0 H GLU A 39 -8.052 0.703 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.601 -1.684 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.688 0.619 -6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.031 0.693 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.650 0.207 -5.265 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.421 -1.092 -4.377 1.00 0.00 H new ATOM 551 N ASP A 40 -6.457 -3.047 -4.519 1.00 0.00 N ATOM 552 CA ASP A 40 -6.553 -3.936 -3.368 1.00 0.00 C ATOM 553 C ASP A 40 -5.892 -3.272 -2.163 1.00 0.00 C ATOM 554 O ASP A 40 -4.865 -2.611 -2.319 1.00 0.00 O ATOM 555 CB ASP A 40 -5.887 -5.282 -3.667 1.00 0.00 C ATOM 556 CG ASP A 40 -6.234 -6.306 -2.590 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.273 -6.979 -2.765 1.00 0.00 O ATOM 558 OD2 ASP A 40 -5.460 -6.393 -1.614 1.00 0.00 O ATOM 0 H ASP A 40 -5.876 -3.409 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.604 -4.123 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.213 -5.646 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.806 -5.155 -3.720 1.00 0.00 H new ATOM 563 N CYS A 41 -6.462 -3.443 -0.969 1.00 0.00 N ATOM 564 CA CYS A 41 -5.939 -2.831 0.244 1.00 0.00 C ATOM 565 C CYS A 41 -5.917 -3.824 1.392 1.00 0.00 C ATOM 566 O CYS A 41 -6.762 -4.711 1.481 1.00 0.00 O ATOM 567 CB CYS A 41 -6.790 -1.621 0.624 1.00 0.00 C ATOM 568 SG CYS A 41 -8.473 -2.011 1.153 1.00 0.00 S ATOM 0 H CYS A 41 -7.297 -4.009 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.916 -2.511 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.289 -1.080 1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.840 -0.947 -0.231 1.00 0.00 H new ATOM 573 N HIS A 42 -4.933 -3.663 2.276 1.00 0.00 N ATOM 574 CA HIS A 42 -4.812 -4.451 3.488 1.00 0.00 C ATOM 575 C HIS A 42 -5.369 -3.572 4.608 1.00 0.00 C ATOM 576 O HIS A 42 -4.953 -2.416 4.709 1.00 0.00 O ATOM 577 CB HIS A 42 -3.341 -4.813 3.721 1.00 0.00 C ATOM 578 CG HIS A 42 -3.141 -5.810 4.827 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.594 -5.576 6.124 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.556 -7.045 4.778 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.268 -6.683 6.799 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.650 -7.597 6.037 1.00 0.00 N ATOM 0 H HIS A 42 -4.192 -2.972 2.163 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.359 -5.393 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.923 -5.216 2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.784 -3.906 3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.103 -7.504 3.911 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.480 -6.826 7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.317 -8.515 6.330 1.00 0.00 H new ATOM 590 N PRO A 43 -6.292 -4.054 5.452 1.00 0.00 N ATOM 591 CA PRO A 43 -6.861 -3.235 6.511 1.00 0.00 C ATOM 592 C PRO A 43 -5.790 -2.676 7.457 1.00 0.00 C ATOM 593 O PRO A 43 -6.022 -1.647 8.085 1.00 0.00 O ATOM 594 CB PRO A 43 -7.878 -4.128 7.228 1.00 0.00 C ATOM 595 CG PRO A 43 -7.406 -5.547 6.907 1.00 0.00 C ATOM 596 CD PRO A 43 -6.823 -5.405 5.502 1.00 0.00 C ATOM 0 HA PRO A 43 -7.344 -2.346 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.886 -3.942 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.891 -3.952 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.659 -5.895 7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.229 -6.262 6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.042 -6.143 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.587 -5.557 4.740 1.00 0.00 H new ATOM 604 N ALA A 44 -4.616 -3.316 7.543 1.00 0.00 N ATOM 605 CA ALA A 44 -3.514 -2.861 8.378 1.00 0.00 C ATOM 606 C ALA A 44 -2.456 -2.103 7.565 1.00 0.00 C ATOM 607 O ALA A 44 -1.309 -2.028 8.004 1.00 0.00 O ATOM 608 CB ALA A 44 -2.902 -4.060 9.108 1.00 0.00 C ATOM 0 H ALA A 44 -4.410 -4.171 7.027 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.903 -2.156 9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.076 -3.722 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.661 -4.532 9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.533 -4.780 8.378 1.00 0.00 H new ATOM 614 N SER A 45 -2.804 -1.545 6.395 1.00 0.00 N ATOM 615 CA SER A 45 -1.884 -0.723 5.626 1.00 0.00 C ATOM 616 C SER A 45 -1.467 0.465 6.495 1.00 0.00 C ATOM 617 O SER A 45 -2.235 1.410 6.657 1.00 0.00 O ATOM 618 CB SER A 45 -2.566 -0.220 4.353 1.00 0.00 C ATOM 619 OG SER A 45 -2.826 -1.280 3.456 1.00 0.00 O ATOM 0 H SER A 45 -3.723 -1.655 5.967 1.00 0.00 H new ATOM 0 HA SER A 45 -1.010 -1.308 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.501 0.278 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.933 0.523 3.868 1.00 0.00 H new ATOM 0 HG SER A 45 -3.590 -1.802 3.779 1.00 0.00 H new ATOM 625 N HIS A 46 -0.252 0.414 7.045 1.00 0.00 N ATOM 626 CA HIS A 46 0.274 1.416 7.968 1.00 0.00 C ATOM 627 C HIS A 46 0.117 2.820 7.414 1.00 0.00 C ATOM 628 O HIS A 46 0.266 3.015 6.206 1.00 0.00 O ATOM 629 CB HIS A 46 1.761 1.189 8.274 1.00 0.00 C ATOM 630 CG HIS A 46 2.158 -0.249 8.189 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.453 -0.848 6.960 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.012 -1.206 9.146 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.525 -2.152 7.249 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.271 -2.419 8.542 1.00 0.00 N ATOM 0 H HIS A 46 0.406 -0.342 6.856 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.306 1.311 8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.363 1.769 7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.983 1.564 9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.745 -1.046 10.180 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.763 -2.912 6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.270 -3.336 8.988 1.00 0.00 H new ATOM 642 N LYS A 47 -0.104 3.782 8.307 1.00 0.00 N ATOM 643 CA LYS A 47 -0.273 5.179 7.953 1.00 0.00 C ATOM 644 C LYS A 47 0.898 5.712 7.112 1.00 0.00 C ATOM 645 O LYS A 47 1.932 5.058 6.962 1.00 0.00 O ATOM 646 CB LYS A 47 -0.463 5.994 9.240 1.00 0.00 C ATOM 647 CG LYS A 47 -1.077 7.387 9.038 1.00 0.00 C ATOM 648 CD LYS A 47 -2.433 7.323 8.318 1.00 0.00 C ATOM 649 CE LYS A 47 -2.438 7.652 6.815 1.00 0.00 C ATOM 650 NZ LYS A 47 -3.814 7.795 6.307 1.00 0.00 N ATOM 0 H LYS A 47 -0.171 3.605 9.309 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.158 5.279 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.099 5.428 9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.505 6.107 9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.204 7.870 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.390 8.005 8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.839 6.320 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.116 8.010 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.885 8.575 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.924 6.863 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.788 8.017 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.333 6.906 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.294 8.564 6.817 1.00 0.00 H new ATOM 664 N ILE A 48 0.718 6.901 6.541 1.00 0.00 N ATOM 665 CA ILE A 48 1.717 7.590 5.736 1.00 0.00 C ATOM 666 C ILE A 48 2.288 8.721 6.603 1.00 0.00 C ATOM 667 O ILE A 48 1.495 9.420 7.234 1.00 0.00 O ATOM 668 CB ILE A 48 1.055 8.178 4.471 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.273 7.113 3.681 1.00 0.00 C ATOM 670 CG2 ILE A 48 2.112 8.823 3.562 1.00 0.00 C ATOM 671 CD1 ILE A 48 -0.513 7.724 2.516 1.00 0.00 C ATOM 0 H ILE A 48 -0.153 7.424 6.630 1.00 0.00 H new ATOM 0 HA ILE A 48 2.505 6.906 5.420 1.00 0.00 H new ATOM 0 HB ILE A 48 0.347 8.937 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.966 6.365 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.415 6.597 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.628 9.232 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.617 9.624 4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.842 8.071 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.050 6.937 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.226 8.453 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.177 8.217 1.831 1.00 0.00 H new ATOM 683 N PRO A 49 3.609 8.966 6.629 1.00 0.00 N ATOM 684 CA PRO A 49 4.675 8.160 6.055 1.00 0.00 C ATOM 685 C PRO A 49 5.087 7.081 7.062 1.00 0.00 C ATOM 686 O PRO A 49 5.247 7.367 8.247 1.00 0.00 O ATOM 687 CB PRO A 49 5.820 9.151 5.833 1.00 0.00 C ATOM 688 CG PRO A 49 5.670 10.130 7.000 1.00 0.00 C ATOM 689 CD PRO A 49 4.160 10.156 7.260 1.00 0.00 C ATOM 0 HA PRO A 49 4.386 7.654 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.790 8.654 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.734 9.656 4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.222 9.794 7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.049 11.119 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.951 10.159 8.330 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.711 11.058 6.845 1.00 0.00 H new ATOM 697 N PHE A 50 5.322 5.854 6.598 1.00 0.00 N ATOM 698 CA PHE A 50 5.755 4.770 7.462 1.00 0.00 C ATOM 699 C PHE A 50 7.268 4.667 7.328 1.00 0.00 C ATOM 700 O PHE A 50 7.803 4.077 6.386 1.00 0.00 O ATOM 701 CB PHE A 50 5.059 3.462 7.087 1.00 0.00 C ATOM 702 CG PHE A 50 5.287 2.344 8.084 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.648 2.380 9.338 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.151 1.280 7.773 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.829 1.327 10.252 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.326 0.224 8.683 1.00 0.00 C ATOM 707 CZ PHE A 50 5.658 0.242 9.919 1.00 0.00 C ATOM 0 H PHE A 50 5.217 5.590 5.618 1.00 0.00 H new ATOM 0 HA PHE A 50 5.486 4.968 8.500 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.988 3.643 6.996 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.412 3.141 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.018 3.218 9.598 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.682 1.274 6.832 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.331 1.352 11.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.975 -0.602 8.432 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.781 -0.577 10.612 1.00 0.00 H new ATOM 717 N SER A 51 7.961 5.291 8.281 1.00 0.00 N ATOM 718 CA SER A 51 9.412 5.320 8.341 1.00 0.00 C ATOM 719 C SER A 51 9.955 3.970 8.826 1.00 0.00 C ATOM 720 O SER A 51 10.650 3.912 9.837 1.00 0.00 O ATOM 721 CB SER A 51 9.852 6.478 9.243 1.00 0.00 C ATOM 722 OG SER A 51 9.349 7.698 8.726 1.00 0.00 O ATOM 0 H SER A 51 7.515 5.799 9.045 1.00 0.00 H new ATOM 0 HA SER A 51 9.824 5.486 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.485 6.322 10.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.940 6.516 9.299 1.00 0.00 H new ATOM 0 HG SER A 51 9.629 8.438 9.304 1.00 0.00 H new ATOM 728 N GLY A 52 9.643 2.886 8.112 1.00 0.00 N ATOM 729 CA GLY A 52 10.079 1.544 8.450 1.00 0.00 C ATOM 730 C GLY A 52 9.717 0.579 7.326 1.00 0.00 C ATOM 731 O GLY A 52 9.065 0.966 6.358 1.00 0.00 O ATOM 0 H GLY A 52 9.070 2.925 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.156 1.534 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.610 1.224 9.380 1.00 0.00 H new ATOM 735 N GLN A 53 10.125 -0.683 7.470 1.00 0.00 N ATOM 736 CA GLN A 53 9.872 -1.726 6.490 1.00 0.00 C ATOM 737 C GLN A 53 8.443 -2.252 6.641 1.00 0.00 C ATOM 738 O GLN A 53 8.120 -2.889 7.642 1.00 0.00 O ATOM 739 CB GLN A 53 10.906 -2.847 6.667 1.00 0.00 C ATOM 740 CG GLN A 53 12.301 -2.402 6.204 1.00 0.00 C ATOM 741 CD GLN A 53 13.199 -3.597 5.905 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.279 -4.054 4.767 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.884 -4.115 6.918 1.00 0.00 N ATOM 0 H GLN A 53 10.647 -1.008 8.284 1.00 0.00 H new ATOM 0 HA GLN A 53 9.970 -1.322 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.947 -3.144 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.595 -3.724 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.209 -1.783 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.761 -1.784 6.975 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.796 -3.713 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.498 -4.915 6.763 1.00 0.00 H new ATOM 752 N ARG A 54 7.573 -1.958 5.670 1.00 0.00 N ATOM 753 CA ARG A 54 6.201 -2.448 5.677 1.00 0.00 C ATOM 754 C ARG A 54 6.193 -3.964 5.481 1.00 0.00 C ATOM 755 O ARG A 54 7.140 -4.527 4.941 1.00 0.00 O ATOM 756 CB ARG A 54 5.393 -1.777 4.560 1.00 0.00 C ATOM 757 CG ARG A 54 5.247 -0.274 4.805 1.00 0.00 C ATOM 758 CD ARG A 54 4.387 0.362 3.712 1.00 0.00 C ATOM 759 NE ARG A 54 4.058 1.757 4.039 1.00 0.00 N ATOM 760 CZ ARG A 54 2.923 2.155 4.635 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.056 1.257 5.108 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.645 3.450 4.783 1.00 0.00 N ATOM 0 H ARG A 54 7.803 -1.377 4.864 1.00 0.00 H new ATOM 0 HA ARG A 54 5.745 -2.205 6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.884 -1.945 3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.406 -2.235 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.794 -0.100 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.231 0.196 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.917 0.324 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.468 -0.212 3.588 1.00 0.00 H new ATOM 0 HE ARG A 54 4.741 2.474 3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.254 0.260 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.196 1.567 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.299 4.154 4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.778 3.737 5.238 1.00 0.00 H new ATOM 776 N MET A 55 5.109 -4.626 5.890 1.00 0.00 N ATOM 777 CA MET A 55 4.950 -6.071 5.763 1.00 0.00 C ATOM 778 C MET A 55 3.786 -6.415 4.826 1.00 0.00 C ATOM 779 O MET A 55 3.269 -7.528 4.882 1.00 0.00 O ATOM 780 CB MET A 55 4.777 -6.679 7.163 1.00 0.00 C ATOM 781 CG MET A 55 6.020 -6.452 8.037 1.00 0.00 C ATOM 782 SD MET A 55 7.541 -7.228 7.426 1.00 0.00 S ATOM 783 CE MET A 55 8.755 -6.432 8.499 1.00 0.00 C ATOM 0 H MET A 55 4.309 -4.166 6.324 1.00 0.00 H new ATOM 0 HA MET A 55 5.842 -6.504 5.310 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.906 -6.237 7.647 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.584 -7.748 7.074 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.189 -5.379 8.129 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.815 -6.830 9.039 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.752 -6.799 8.255 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.719 -5.353 8.351 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.528 -6.663 9.540 1.00 0.00 H new ATOM 793 N HIS A 56 3.385 -5.480 3.954 1.00 0.00 N ATOM 794 CA HIS A 56 2.291 -5.657 3.005 1.00 0.00 C ATOM 795 C HIS A 56 2.715 -5.133 1.631 1.00 0.00 C ATOM 796 O HIS A 56 3.573 -4.254 1.533 1.00 0.00 O ATOM 797 CB HIS A 56 1.025 -4.934 3.496 1.00 0.00 C ATOM 798 CG HIS A 56 0.638 -5.247 4.917 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.495 -6.457 5.541 1.00 0.00 N flip ATOM 800 CD2 HIS A 56 0.414 -4.232 5.845 1.00 0.00 C flip ATOM 801 CE1 HIS A 56 0.194 -6.202 6.863 1.00 0.00 C flip ATOM 802 NE2 HIS A 56 0.140 -4.868 6.987 1.00 0.00 N flip ATOM 0 H HIS A 56 3.825 -4.562 3.892 1.00 0.00 H new ATOM 0 HA HIS A 56 2.059 -6.719 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.177 -3.859 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.195 -5.197 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.453 -3.166 5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.034 -6.932 7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.086 -4.390 7.859 1.00 0.00 H new ATOM 810 N HIS A 57 2.122 -5.694 0.576 1.00 0.00 N ATOM 811 CA HIS A 57 2.374 -5.342 -0.822 1.00 0.00 C ATOM 812 C HIS A 57 1.472 -4.201 -1.278 1.00 0.00 C ATOM 813 O HIS A 57 1.733 -3.557 -2.291 1.00 0.00 O ATOM 814 CB HIS A 57 2.115 -6.559 -1.703 1.00 0.00 C ATOM 815 CG HIS A 57 2.814 -7.748 -1.135 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.147 -8.611 -0.277 1.00 0.00 N ATOM 817 CD2 HIS A 57 4.136 -8.090 -1.185 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.092 -9.462 0.111 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.303 -9.194 -0.388 1.00 0.00 N ATOM 0 H HIS A 57 1.427 -6.434 0.676 1.00 0.00 H new ATOM 0 HA HIS A 57 3.412 -5.020 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.044 -6.751 -1.768 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.467 -6.368 -2.717 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.907 -7.585 -1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.899 -10.295 0.770 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.169 -9.703 -0.213 1.00 0.00 H new ATOM 827 N THR A 58 0.395 -3.963 -0.532 1.00 0.00 N ATOM 828 CA THR A 58 -0.602 -2.966 -0.835 1.00 0.00 C ATOM 829 C THR A 58 -0.297 -1.736 0.008 1.00 0.00 C ATOM 830 O THR A 58 0.037 -1.875 1.185 1.00 0.00 O ATOM 831 CB THR A 58 -1.962 -3.545 -0.440 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.936 -3.890 0.935 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.288 -4.821 -1.227 1.00 0.00 C ATOM 0 H THR A 58 0.196 -4.480 0.324 1.00 0.00 H new ATOM 0 HA THR A 58 -0.605 -2.696 -1.891 1.00 0.00 H new ATOM 0 HB THR A 58 -2.717 -2.789 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.305 -3.307 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.262 -5.201 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.309 -4.596 -2.293 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.525 -5.575 -1.030 1.00 0.00 H new ATOM 841 N CYS A 59 -0.467 -0.547 -0.563 1.00 0.00 N ATOM 842 CA CYS A 59 -0.197 0.703 0.129 1.00 0.00 C ATOM 843 C CYS A 59 -1.502 1.279 0.653 1.00 0.00 C ATOM 844 O CYS A 59 -2.570 0.941 0.140 1.00 0.00 O ATOM 845 CB CYS A 59 0.442 1.704 -0.838 1.00 0.00 C ATOM 846 SG CYS A 59 2.204 1.465 -1.122 1.00 0.00 S ATOM 0 H CYS A 59 -0.797 -0.426 -1.521 1.00 0.00 H new ATOM 0 HA CYS A 59 0.485 0.515 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.077 1.644 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.284 2.711 -0.452 1.00 0.00 H new ATOM 851 N PRO A 60 -1.438 2.146 1.676 1.00 0.00 N ATOM 852 CA PRO A 60 -2.624 2.786 2.196 1.00 0.00 C ATOM 853 C PRO A 60 -3.198 3.658 1.084 1.00 0.00 C ATOM 854 O PRO A 60 -2.470 4.181 0.238 1.00 0.00 O ATOM 855 CB PRO A 60 -2.180 3.583 3.424 1.00 0.00 C ATOM 856 CG PRO A 60 -0.710 3.869 3.133 1.00 0.00 C ATOM 857 CD PRO A 60 -0.243 2.664 2.321 1.00 0.00 C ATOM 0 HA PRO A 60 -3.408 2.093 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.755 4.502 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.306 3.011 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.589 4.796 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.136 3.975 4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.507 2.953 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.215 1.911 2.963 1.00 0.00 H new ATOM 865 N CYS A 61 -4.521 3.762 1.062 1.00 0.00 N ATOM 866 CA CYS A 61 -5.238 4.484 0.032 1.00 0.00 C ATOM 867 C CYS A 61 -4.880 5.968 0.055 1.00 0.00 C ATOM 868 O CYS A 61 -4.565 6.528 1.105 1.00 0.00 O ATOM 869 CB CYS A 61 -6.744 4.307 0.249 1.00 0.00 C ATOM 870 SG CYS A 61 -7.328 2.616 0.503 1.00 0.00 S ATOM 0 H CYS A 61 -5.127 3.342 1.767 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.954 4.083 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.037 4.903 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.264 4.722 -0.614 1.00 0.00 H new ATOM 875 N ALA A 62 -4.933 6.604 -1.115 1.00 0.00 N ATOM 876 CA ALA A 62 -4.721 8.029 -1.274 1.00 0.00 C ATOM 877 C ALA A 62 -5.743 8.741 -0.379 1.00 0.00 C ATOM 878 O ALA A 62 -6.877 8.276 -0.323 1.00 0.00 O ATOM 879 CB ALA A 62 -4.910 8.387 -2.752 1.00 0.00 C ATOM 0 H ALA A 62 -5.129 6.125 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.716 8.335 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.754 9.457 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.190 7.834 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.921 8.125 -3.064 1.00 0.00 H new ATOM 885 N PRO A 63 -5.383 9.846 0.294 1.00 0.00 N ATOM 886 CA PRO A 63 -6.217 10.578 1.247 1.00 0.00 C ATOM 887 C PRO A 63 -7.746 10.558 1.054 1.00 0.00 C ATOM 888 O PRO A 63 -8.475 10.302 2.011 1.00 0.00 O ATOM 889 CB PRO A 63 -5.636 11.991 1.261 1.00 0.00 C ATOM 890 CG PRO A 63 -4.139 11.710 1.112 1.00 0.00 C ATOM 891 CD PRO A 63 -4.090 10.509 0.162 1.00 0.00 C ATOM 0 HA PRO A 63 -6.165 10.064 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.022 12.601 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.864 12.518 2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.609 12.569 0.700 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.677 11.481 2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.918 10.830 -0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.276 9.834 0.426 1.00 0.00 H new ATOM 899 N ASN A 64 -8.256 10.854 -0.148 1.00 0.00 N ATOM 900 CA ASN A 64 -9.703 10.853 -0.390 1.00 0.00 C ATOM 901 C ASN A 64 -10.336 9.473 -0.180 1.00 0.00 C ATOM 902 O ASN A 64 -11.491 9.376 0.220 1.00 0.00 O ATOM 903 CB ASN A 64 -10.027 11.336 -1.813 1.00 0.00 C ATOM 904 CG ASN A 64 -11.486 11.049 -2.168 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.786 10.150 -2.950 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.389 11.787 -1.544 1.00 0.00 N ATOM 0 H ASN A 64 -7.692 11.096 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.128 11.540 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.833 12.406 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.370 10.840 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.383 11.620 -1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.092 12.523 -0.903 1.00 0.00 H new ATOM 913 N LEU A 65 -9.605 8.407 -0.487 1.00 0.00 N ATOM 914 CA LEU A 65 -10.096 7.044 -0.434 1.00 0.00 C ATOM 915 C LEU A 65 -9.719 6.365 0.885 1.00 0.00 C ATOM 916 O LEU A 65 -8.831 6.821 1.602 1.00 0.00 O ATOM 917 CB LEU A 65 -9.561 6.283 -1.655 1.00 0.00 C ATOM 918 CG LEU A 65 -9.889 6.994 -2.982 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.679 7.762 -3.527 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.319 5.977 -4.037 1.00 0.00 C ATOM 0 H LEU A 65 -8.632 8.473 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.185 7.043 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.481 6.170 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.986 5.280 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.696 7.696 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.949 8.250 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.369 8.515 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.857 7.068 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.547 6.494 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.512 5.264 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.205 5.446 -3.690 1.00 0.00 H new ATOM 932 N ALA A 66 -10.411 5.273 1.217 1.00 0.00 N ATOM 933 CA ALA A 66 -10.191 4.468 2.408 1.00 0.00 C ATOM 934 C ALA A 66 -10.335 2.993 2.043 1.00 0.00 C ATOM 935 O ALA A 66 -10.993 2.654 1.059 1.00 0.00 O ATOM 936 CB ALA A 66 -11.193 4.859 3.497 1.00 0.00 C ATOM 0 H ALA A 66 -11.169 4.916 0.636 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.187 4.644 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.021 4.251 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.065 5.912 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.207 4.693 3.135 1.00 0.00 H new ATOM 942 N CYS A 67 -9.711 2.123 2.843 1.00 0.00 N ATOM 943 CA CYS A 67 -9.725 0.683 2.634 1.00 0.00 C ATOM 944 C CYS A 67 -11.048 0.122 3.146 1.00 0.00 C ATOM 945 O CYS A 67 -11.307 0.192 4.346 1.00 0.00 O ATOM 946 CB CYS A 67 -8.550 0.045 3.387 1.00 0.00 C ATOM 947 SG CYS A 67 -8.460 -1.749 3.211 1.00 0.00 S ATOM 0 H CYS A 67 -9.176 2.409 3.663 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.624 0.457 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.619 0.483 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.631 0.293 4.445 1.00 0.00 H new ATOM 952 N VAL A 68 -11.897 -0.401 2.256 1.00 0.00 N ATOM 953 CA VAL A 68 -13.219 -0.897 2.611 1.00 0.00 C ATOM 954 C VAL A 68 -13.557 -2.183 1.859 1.00 0.00 C ATOM 955 O VAL A 68 -12.973 -2.515 0.827 1.00 0.00 O ATOM 956 CB VAL A 68 -14.263 0.217 2.414 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.305 0.733 0.972 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.679 -0.168 2.863 1.00 0.00 C ATOM 0 H VAL A 68 -11.679 -0.490 1.263 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.229 -1.169 3.667 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.921 1.019 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.058 1.517 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.329 1.136 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.558 -0.087 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.355 0.669 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.019 -1.032 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.669 -0.415 3.925 1.00 0.00 H new ATOM 968 N GLN A 69 -14.489 -2.937 2.435 1.00 0.00 N ATOM 969 CA GLN A 69 -15.005 -4.160 1.856 1.00 0.00 C ATOM 970 C GLN A 69 -15.917 -3.808 0.684 1.00 0.00 C ATOM 971 O GLN A 69 -16.882 -3.068 0.858 1.00 0.00 O ATOM 972 CB GLN A 69 -15.818 -4.908 2.918 1.00 0.00 C ATOM 973 CG GLN A 69 -14.950 -5.517 4.020 1.00 0.00 C ATOM 974 CD GLN A 69 -14.323 -6.828 3.559 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.978 -7.866 3.529 1.00 0.00 O ATOM 976 NE2 GLN A 69 -13.051 -6.802 3.190 1.00 0.00 N ATOM 0 H GLN A 69 -14.911 -2.705 3.334 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.182 -4.786 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.536 -4.222 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.392 -5.700 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.166 -4.814 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.555 -5.692 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.528 -5.927 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.595 -7.657 2.872 1.00 0.00 H new ATOM 985 N THR A 70 -15.636 -4.372 -0.489 1.00 0.00 N ATOM 986 CA THR A 70 -16.487 -4.223 -1.669 1.00 0.00 C ATOM 987 C THR A 70 -17.378 -5.466 -1.783 1.00 0.00 C ATOM 988 O THR A 70 -18.487 -5.410 -2.311 1.00 0.00 O ATOM 989 CB THR A 70 -15.642 -3.970 -2.925 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.672 -4.978 -3.126 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.944 -2.611 -2.820 1.00 0.00 C ATOM 0 H THR A 70 -14.809 -4.947 -0.649 1.00 0.00 H new ATOM 0 HA THR A 70 -17.131 -3.350 -1.569 1.00 0.00 H new ATOM 0 HB THR A 70 -16.320 -3.981 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.168 -5.117 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.346 -2.439 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.692 -1.824 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.296 -2.602 -1.944 1.00 0.00 H new ATOM 999 N SER A 71 -16.900 -6.595 -1.258 1.00 0.00 N ATOM 1000 CA SER A 71 -17.603 -7.856 -1.087 1.00 0.00 C ATOM 1001 C SER A 71 -16.797 -8.601 -0.013 1.00 0.00 C ATOM 1002 O SER A 71 -15.684 -8.157 0.282 1.00 0.00 O ATOM 1003 CB SER A 71 -17.682 -8.649 -2.399 1.00 0.00 C ATOM 1004 OG SER A 71 -17.899 -7.812 -3.518 1.00 0.00 O ATOM 0 H SER A 71 -15.940 -6.650 -0.918 1.00 0.00 H new ATOM 0 HA SER A 71 -18.642 -7.710 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.757 -9.208 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.489 -9.379 -2.332 1.00 0.00 H new ATOM 0 HG SER A 71 -17.941 -8.357 -4.331 1.00 0.00 H new ATOM 1010 N PRO A 72 -17.300 -9.698 0.575 1.00 0.00 N ATOM 1011 CA PRO A 72 -16.588 -10.442 1.605 1.00 0.00 C ATOM 1012 C PRO A 72 -15.126 -10.709 1.226 1.00 0.00 C ATOM 1013 O PRO A 72 -14.861 -11.450 0.282 1.00 0.00 O ATOM 1014 CB PRO A 72 -17.390 -11.731 1.803 1.00 0.00 C ATOM 1015 CG PRO A 72 -18.816 -11.281 1.483 1.00 0.00 C ATOM 1016 CD PRO A 72 -18.602 -10.299 0.330 1.00 0.00 C ATOM 0 HA PRO A 72 -16.521 -9.874 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.055 -12.525 1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.303 -12.112 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.450 -12.118 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.293 -10.804 2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -18.624 -10.811 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -19.386 -9.543 0.307 1.00 0.00 H new ATOM 1024 N LYS A 73 -14.195 -10.065 1.940 1.00 0.00 N ATOM 1025 CA LYS A 73 -12.744 -10.153 1.772 1.00 0.00 C ATOM 1026 C LYS A 73 -12.225 -9.404 0.536 1.00 0.00 C ATOM 1027 O LYS A 73 -11.016 -9.199 0.428 1.00 0.00 O ATOM 1028 CB LYS A 73 -12.250 -11.609 1.788 1.00 0.00 C ATOM 1029 CG LYS A 73 -12.740 -12.390 3.019 1.00 0.00 C ATOM 1030 CD LYS A 73 -12.473 -13.897 2.886 1.00 0.00 C ATOM 1031 CE LYS A 73 -13.659 -14.660 2.275 1.00 0.00 C ATOM 1032 NZ LYS A 73 -13.985 -14.217 0.908 1.00 0.00 N ATOM 0 H LYS A 73 -14.453 -9.431 2.696 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.321 -9.645 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.591 -12.114 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.160 -11.619 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.242 -12.011 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.808 -12.221 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.589 -14.052 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.249 -14.310 3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.430 -15.726 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.534 -14.530 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.686 -14.863 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.377 -13.254 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.123 -14.221 0.327 1.00 0.00 H new ATOM 1046 N LYS A 74 -13.093 -8.969 -0.387 1.00 0.00 N ATOM 1047 CA LYS A 74 -12.674 -8.146 -1.514 1.00 0.00 C ATOM 1048 C LYS A 74 -12.447 -6.758 -0.924 1.00 0.00 C ATOM 1049 O LYS A 74 -13.333 -5.903 -0.929 1.00 0.00 O ATOM 1050 CB LYS A 74 -13.720 -8.148 -2.634 1.00 0.00 C ATOM 1051 CG LYS A 74 -13.920 -9.552 -3.213 1.00 0.00 C ATOM 1052 CD LYS A 74 -14.685 -9.445 -4.540 1.00 0.00 C ATOM 1053 CE LYS A 74 -15.057 -10.821 -5.106 1.00 0.00 C ATOM 1054 NZ LYS A 74 -16.033 -11.527 -4.256 1.00 0.00 N ATOM 0 H LYS A 74 -14.091 -9.178 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.768 -8.525 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.668 -7.774 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.408 -7.468 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.955 -10.033 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.474 -10.174 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.592 -8.859 -4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.076 -8.908 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.470 -10.701 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.157 -11.428 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.383 -12.370 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.575 -11.816 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.831 -10.894 -4.044 1.00 0.00 H new ATOM 1068 N PHE A 75 -11.246 -6.560 -0.390 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.881 -5.385 0.392 1.00 0.00 C ATOM 1070 C PHE A 75 -10.133 -4.457 -0.542 1.00 0.00 C ATOM 1071 O PHE A 75 -9.030 -4.758 -1.003 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.019 -5.809 1.587 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.304 -5.260 2.971 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.944 -4.024 3.156 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.181 -6.147 4.060 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.489 -3.701 4.411 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.786 -5.854 5.291 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.430 -4.620 5.472 1.00 0.00 C ATOM 0 H PHE A 75 -10.482 -7.228 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.755 -4.876 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.073 -6.896 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.987 -5.555 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.017 -3.324 2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.616 -7.060 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.957 -2.739 4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.757 -6.574 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.879 -4.378 6.424 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.785 -3.346 -0.848 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.308 -2.387 -1.836 1.00 0.00 C ATOM 1090 C LYS A 76 -10.421 -0.936 -1.377 1.00 0.00 C ATOM 1091 O LYS A 76 -11.183 -0.597 -0.474 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.072 -2.575 -3.154 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.950 -3.999 -3.709 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.698 -4.105 -5.040 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.501 -5.493 -5.653 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.225 -5.619 -6.929 1.00 0.00 N ATOM 0 H LYS A 76 -11.669 -3.081 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.246 -2.588 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.125 -2.340 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.694 -1.868 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.900 -4.255 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.359 -4.713 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.760 -3.917 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.337 -3.341 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.439 -5.674 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.852 -6.254 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.073 -6.570 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.241 -5.469 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.872 -4.907 -7.600 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.642 -0.073 -2.028 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.622 1.357 -1.770 1.00 0.00 C ATOM 1112 C CYS A 77 -10.805 2.010 -2.472 1.00 0.00 C ATOM 1113 O CYS A 77 -10.888 1.939 -3.699 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.318 1.963 -2.297 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.863 1.659 -1.278 1.00 0.00 S ATOM 0 H CYS A 77 -8.996 -0.359 -2.763 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.688 1.531 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.131 1.569 -3.296 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.452 3.040 -2.399 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.709 2.653 -1.724 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.844 3.367 -2.303 1.00 0.00 C ATOM 1122 C LEU A 78 -12.983 4.744 -1.675 1.00 0.00 C ATOM 1123 O LEU A 78 -12.525 4.995 -0.564 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.120 2.534 -2.202 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.374 3.085 -2.902 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.187 3.165 -4.424 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.541 2.139 -2.599 1.00 0.00 C ATOM 0 H LEU A 78 -11.672 2.691 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.662 3.523 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.912 1.545 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.354 2.400 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.566 4.093 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.094 3.559 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.349 3.824 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.984 2.169 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.444 2.508 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.308 1.142 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.702 2.093 -1.522 1.00 0.00 H new ATOM 1139 N SER A 79 -13.582 5.633 -2.456 1.00 0.00 N ATOM 1140 CA SER A 79 -13.749 7.053 -2.188 1.00 0.00 C ATOM 1141 C SER A 79 -14.571 7.374 -0.940 1.00 0.00 C ATOM 1142 O SER A 79 -15.254 6.516 -0.382 1.00 0.00 O ATOM 1143 CB SER A 79 -14.375 7.696 -3.429 1.00 0.00 C ATOM 1144 OG SER A 79 -13.736 7.190 -4.589 1.00 0.00 O ATOM 0 H SER A 79 -13.990 5.363 -3.351 1.00 0.00 H new ATOM 0 HA SER A 79 -12.762 7.464 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.443 7.481 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.269 8.780 -3.384 1.00 0.00 H new ATOM 0 HG SER A 79 -14.135 7.598 -5.386 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.494 8.642 -0.538 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.233 9.287 0.526 1.00 0.00 C ATOM 1152 C LYS A 80 -15.561 10.673 -0.037 1.00 0.00 C ATOM 1153 O LYS A 80 -16.441 11.342 0.543 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.380 9.420 1.797 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.847 8.073 2.305 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.253 8.190 3.719 1.00 0.00 C ATOM 1157 CE LYS A 80 -12.051 9.143 3.822 1.00 0.00 C ATOM 1158 NZ LYS A 80 -10.939 8.742 2.942 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.904 11.033 -1.048 1.00 0.00 O ATOM 0 H LYS A 80 -13.855 9.293 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.118 8.720 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.540 10.085 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.976 9.888 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.655 7.341 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.085 7.702 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.032 8.531 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.947 7.199 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.369 10.153 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.702 9.172 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.173 9.443 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.582 7.810 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.275 8.690 1.959 1.00 0.00 H new TER 1173 LYS A 80