USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 61 SER OG : rot 129:sc= 0.00627 USER MOD Set 1.2: A 73 THR OG1 : rot 128:sc= 0.441 USER MOD Set 2.1: A 39 ASN : amide:sc= -4.1! C(o=-5.5!,f=-2.9!) USER MOD Set 2.2: A 56 SER OG : rot -155:sc= -1.38! USER MOD Set 3.1: A 31 GLN : amide:sc= -7.48! C(o=-7.4!,f=-9.1!) USER MOD Set 3.2: A 32 SER OG : rot 106:sc= 0.063 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 1.07 (180deg=-1.56!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= -1.87 (180deg=-9.45!) USER MOD Single : A 26 SER OG : rot -49:sc= -0.679 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.01! USER MOD Single : A 45 GLN : amide:sc= -6.27! C(o=-6.3!,f=-8!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -84:sc= 0.706 USER MOD Single : A 66 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.67) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= -0.322 (180deg=-0.353) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.595) USER MOD Single : A 71 ASN : amide:sc= -6.43! C(o=-6.4!,f=-15!) USER MOD Single : A 75 ASN : amide:sc= -8.13! C(o=-8.1!,f=-9.7!) USER MOD Single : A 77 THR OG1 : rot -35:sc= -6.37! USER MOD Single : A 78 THR OG1 : rot -100:sc= -2.89! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= -0.359 (180deg=-1.52) USER MOD Single : A 94 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.704 -1.429 -4.115 1.00 0.00 N ATOM 2 CA MET A 1 17.557 -2.217 -3.581 1.00 0.00 C ATOM 3 C MET A 1 17.410 -1.953 -2.081 1.00 0.00 C ATOM 4 O MET A 1 18.300 -2.234 -1.302 1.00 0.00 O ATOM 5 CB MET A 1 17.808 -3.710 -3.815 1.00 0.00 C ATOM 6 CG MET A 1 18.328 -3.930 -5.238 1.00 0.00 C ATOM 7 SD MET A 1 20.124 -3.695 -5.268 1.00 0.00 S ATOM 8 CE MET A 1 20.479 -4.806 -6.651 1.00 0.00 C ATOM 0 H1 MET A 1 18.437 -1.000 -5.024 1.00 0.00 H new ATOM 0 H2 MET A 1 18.955 -0.679 -3.439 1.00 0.00 H new ATOM 0 H3 MET A 1 19.521 -2.057 -4.255 1.00 0.00 H new ATOM 0 HA MET A 1 16.643 -1.918 -4.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.532 -4.085 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.886 -4.272 -3.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.076 -4.935 -5.577 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.848 -3.232 -5.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.552 -4.814 -6.845 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.148 -5.814 -6.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.952 -4.460 -7.540 1.00 0.00 H new ATOM 18 N GLY A 2 16.294 -1.417 -1.669 1.00 0.00 N ATOM 19 CA GLY A 2 16.092 -1.136 -0.220 1.00 0.00 C ATOM 20 C GLY A 2 17.137 -0.127 0.258 1.00 0.00 C ATOM 21 O GLY A 2 18.144 0.091 -0.386 1.00 0.00 O ATOM 0 H GLY A 2 15.513 -1.162 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.089 -0.743 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.173 -2.059 0.354 1.00 0.00 H new ATOM 25 N ASP A 3 16.908 0.492 1.385 1.00 0.00 N ATOM 26 CA ASP A 3 17.890 1.487 1.905 1.00 0.00 C ATOM 27 C ASP A 3 17.811 1.532 3.432 1.00 0.00 C ATOM 28 O ASP A 3 18.405 0.724 4.118 1.00 0.00 O ATOM 29 CB ASP A 3 17.565 2.869 1.336 1.00 0.00 C ATOM 30 CG ASP A 3 18.531 3.902 1.918 1.00 0.00 C ATOM 31 OD1 ASP A 3 19.615 3.511 2.318 1.00 0.00 O ATOM 32 OD2 ASP A 3 18.171 5.068 1.953 1.00 0.00 O ATOM 0 H ASP A 3 16.083 0.352 1.968 1.00 0.00 H new ATOM 0 HA ASP A 3 18.896 1.197 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.644 2.854 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.537 3.141 1.577 1.00 0.00 H new ATOM 37 N SER A 4 17.082 2.471 3.973 1.00 0.00 N ATOM 38 CA SER A 4 16.969 2.567 5.456 1.00 0.00 C ATOM 39 C SER A 4 15.950 1.543 5.958 1.00 0.00 C ATOM 40 O SER A 4 15.116 1.072 5.213 1.00 0.00 O ATOM 41 CB SER A 4 16.512 3.973 5.843 1.00 0.00 C ATOM 42 OG SER A 4 17.422 4.926 5.309 1.00 0.00 O ATOM 0 H SER A 4 16.560 3.175 3.452 1.00 0.00 H new ATOM 0 HA SER A 4 17.940 2.364 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.508 4.159 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.464 4.067 6.928 1.00 0.00 H new ATOM 0 HG SER A 4 17.131 5.829 5.554 1.00 0.00 H new ATOM 48 N ARG A 5 16.015 1.195 7.218 1.00 0.00 N ATOM 49 CA ARG A 5 15.054 0.196 7.782 1.00 0.00 C ATOM 50 C ARG A 5 13.647 0.457 7.229 1.00 0.00 C ATOM 51 O ARG A 5 12.933 -0.458 6.870 1.00 0.00 O ATOM 52 CB ARG A 5 15.034 0.309 9.316 1.00 0.00 C ATOM 53 CG ARG A 5 15.774 1.578 9.754 1.00 0.00 C ATOM 54 CD ARG A 5 15.598 1.783 11.261 1.00 0.00 C ATOM 55 NE ARG A 5 16.503 0.856 11.997 1.00 0.00 N ATOM 56 CZ ARG A 5 16.820 1.104 13.238 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.615 0.292 13.882 1.00 0.00 N ATOM 58 NH2 ARG A 5 16.345 2.162 13.836 1.00 0.00 N ATOM 0 H ARG A 5 16.695 1.561 7.884 1.00 0.00 H new ATOM 0 HA ARG A 5 15.371 -0.807 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.005 0.335 9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.504 -0.568 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.833 1.496 9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.388 2.441 9.212 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.823 2.816 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.562 1.599 11.545 1.00 0.00 H new ATOM 0 HE ARG A 5 16.874 0.028 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.987 -0.535 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.864 0.485 14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.725 2.797 13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.594 2.354 14.806 1.00 0.00 H new ATOM 72 N ASP A 6 13.251 1.697 7.160 1.00 0.00 N ATOM 73 CA ASP A 6 11.895 2.033 6.629 1.00 0.00 C ATOM 74 C ASP A 6 11.580 1.146 5.421 1.00 0.00 C ATOM 75 O ASP A 6 10.436 0.895 5.100 1.00 0.00 O ATOM 76 CB ASP A 6 11.887 3.503 6.195 1.00 0.00 C ATOM 77 CG ASP A 6 10.524 4.128 6.497 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.488 5.103 7.229 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.539 3.619 5.991 1.00 0.00 O ATOM 0 H ASP A 6 13.810 2.499 7.450 1.00 0.00 H new ATOM 0 HA ASP A 6 11.144 1.866 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.671 4.050 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.103 3.578 5.129 1.00 0.00 H new ATOM 84 N LEU A 7 12.593 0.685 4.745 1.00 0.00 N ATOM 85 CA LEU A 7 12.368 -0.173 3.547 1.00 0.00 C ATOM 86 C LEU A 7 11.964 -1.589 3.978 1.00 0.00 C ATOM 87 O LEU A 7 12.226 -2.013 5.086 1.00 0.00 O ATOM 88 CB LEU A 7 13.657 -0.182 2.689 1.00 0.00 C ATOM 89 CG LEU A 7 14.530 -1.440 2.925 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.744 -1.701 4.427 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.890 -2.672 2.257 1.00 0.00 C ATOM 0 H LEU A 7 13.571 0.865 4.970 1.00 0.00 H new ATOM 0 HA LEU A 7 11.552 0.227 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.386 -0.127 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.244 0.709 2.914 1.00 0.00 H new ATOM 0 HG LEU A 7 15.505 -1.258 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.360 -2.590 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.244 -0.844 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.779 -1.854 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.516 -3.547 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.900 -2.843 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.800 -2.499 1.185 1.00 0.00 H new ATOM 103 N CYS A 8 11.321 -2.322 3.103 1.00 0.00 N ATOM 104 CA CYS A 8 10.896 -3.716 3.436 1.00 0.00 C ATOM 105 C CYS A 8 11.413 -4.659 2.342 1.00 0.00 C ATOM 106 O CYS A 8 11.711 -4.240 1.244 1.00 0.00 O ATOM 107 CB CYS A 8 9.357 -3.794 3.531 1.00 0.00 C ATOM 108 SG CYS A 8 8.716 -5.058 2.385 1.00 0.00 S ATOM 0 H CYS A 8 11.071 -2.011 2.164 1.00 0.00 H new ATOM 0 HA CYS A 8 11.310 -4.011 4.400 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.061 -4.035 4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.921 -2.823 3.293 1.00 0.00 H new ATOM 113 N PRO A 9 11.525 -5.921 2.646 1.00 0.00 N ATOM 114 CA PRO A 9 12.022 -6.955 1.683 1.00 0.00 C ATOM 115 C PRO A 9 11.196 -6.986 0.396 1.00 0.00 C ATOM 116 O PRO A 9 11.713 -6.879 -0.699 1.00 0.00 O ATOM 117 CB PRO A 9 11.848 -8.276 2.453 1.00 0.00 C ATOM 118 CG PRO A 9 10.878 -7.959 3.541 1.00 0.00 C ATOM 119 CD PRO A 9 11.178 -6.523 3.936 1.00 0.00 C ATOM 0 HA PRO A 9 13.047 -6.759 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.470 -9.065 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.797 -8.625 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.850 -8.066 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.001 -8.634 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.317 -6.037 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.999 -6.459 4.651 1.00 0.00 H new ATOM 127 N HIS A 10 9.913 -7.140 0.533 1.00 0.00 N ATOM 128 CA HIS A 10 9.022 -7.190 -0.666 1.00 0.00 C ATOM 129 C HIS A 10 8.859 -5.785 -1.238 1.00 0.00 C ATOM 130 O HIS A 10 8.172 -5.574 -2.217 1.00 0.00 O ATOM 131 CB HIS A 10 7.649 -7.758 -0.270 1.00 0.00 C ATOM 132 CG HIS A 10 7.840 -8.842 0.751 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.953 -8.578 2.114 1.00 0.00 N ATOM 134 CD2 HIS A 10 7.947 -10.205 0.620 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.122 -9.763 2.733 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.124 -10.779 1.870 1.00 0.00 N ATOM 0 H HIS A 10 9.434 -7.235 1.429 1.00 0.00 H new ATOM 0 HA HIS A 10 9.468 -7.836 -1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.018 -6.967 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.139 -8.154 -1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.900 -10.747 -0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.242 -9.876 3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.233 -11.770 2.084 1.00 0.00 H new ATOM 144 N LEU A 11 9.494 -4.822 -0.635 1.00 0.00 N ATOM 145 CA LEU A 11 9.390 -3.428 -1.138 1.00 0.00 C ATOM 146 C LEU A 11 10.053 -3.333 -2.515 1.00 0.00 C ATOM 147 O LEU A 11 9.551 -2.696 -3.416 1.00 0.00 O ATOM 148 CB LEU A 11 10.096 -2.497 -0.151 1.00 0.00 C ATOM 149 CG LEU A 11 9.744 -1.033 -0.458 1.00 0.00 C ATOM 150 CD1 LEU A 11 10.177 -0.151 0.715 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.460 -0.566 -1.736 1.00 0.00 C ATOM 0 H LEU A 11 10.083 -4.942 0.189 1.00 0.00 H new ATOM 0 HA LEU A 11 8.343 -3.138 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.800 -2.744 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.175 -2.640 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 11 8.667 -0.953 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.929 0.888 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.658 -0.468 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.253 -0.244 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.200 0.473 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.538 -0.651 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.150 -1.189 -2.575 1.00 0.00 H new ATOM 163 N ASP A 12 11.179 -3.966 -2.683 1.00 0.00 N ATOM 164 CA ASP A 12 11.875 -3.912 -4.000 1.00 0.00 C ATOM 165 C ASP A 12 11.154 -4.810 -5.008 1.00 0.00 C ATOM 166 O ASP A 12 11.308 -4.663 -6.204 1.00 0.00 O ATOM 167 CB ASP A 12 13.310 -4.407 -3.825 1.00 0.00 C ATOM 168 CG ASP A 12 14.006 -4.445 -5.187 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.431 -3.396 -5.643 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.104 -5.523 -5.750 1.00 0.00 O ATOM 0 H ASP A 12 11.649 -4.519 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 12 11.874 -2.886 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.853 -3.750 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.311 -5.400 -3.376 1.00 0.00 H new ATOM 175 N SER A 13 10.376 -5.745 -4.537 1.00 0.00 N ATOM 176 CA SER A 13 9.658 -6.659 -5.473 1.00 0.00 C ATOM 177 C SER A 13 8.424 -5.958 -6.050 1.00 0.00 C ATOM 178 O SER A 13 7.936 -6.314 -7.104 1.00 0.00 O ATOM 179 CB SER A 13 9.223 -7.915 -4.719 1.00 0.00 C ATOM 180 OG SER A 13 8.838 -8.914 -5.654 1.00 0.00 O ATOM 0 H SER A 13 10.206 -5.917 -3.546 1.00 0.00 H new ATOM 0 HA SER A 13 10.327 -6.931 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.039 -8.280 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.392 -7.684 -4.053 1.00 0.00 H new ATOM 0 HG SER A 13 8.560 -9.722 -5.174 1.00 0.00 H new ATOM 186 N ILE A 14 7.909 -4.973 -5.368 1.00 0.00 N ATOM 187 CA ILE A 14 6.700 -4.261 -5.880 1.00 0.00 C ATOM 188 C ILE A 14 7.122 -3.096 -6.783 1.00 0.00 C ATOM 189 O ILE A 14 6.315 -2.523 -7.485 1.00 0.00 O ATOM 190 CB ILE A 14 5.909 -3.715 -4.698 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.837 -2.888 -3.806 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.329 -4.881 -3.890 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.007 -1.928 -2.951 1.00 0.00 C ATOM 0 H ILE A 14 8.271 -4.629 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 14 6.087 -4.956 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 14 5.097 -3.086 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.424 -3.546 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.543 -2.327 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.763 -4.491 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.670 -5.472 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.141 -5.510 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.670 -1.340 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.440 -1.261 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.319 -2.499 -2.327 1.00 0.00 H new ATOM 205 N GLY A 15 8.375 -2.734 -6.766 1.00 0.00 N ATOM 206 CA GLY A 15 8.833 -1.600 -7.621 1.00 0.00 C ATOM 207 C GLY A 15 8.005 -0.351 -7.305 1.00 0.00 C ATOM 208 O GLY A 15 7.564 -0.154 -6.190 1.00 0.00 O ATOM 0 H GLY A 15 9.101 -3.172 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.890 -1.402 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.729 -1.861 -8.674 1.00 0.00 H new ATOM 212 N GLU A 16 7.790 0.496 -8.281 1.00 0.00 N ATOM 213 CA GLU A 16 6.989 1.736 -8.044 1.00 0.00 C ATOM 214 C GLU A 16 5.942 1.887 -9.152 1.00 0.00 C ATOM 215 O GLU A 16 6.266 2.000 -10.317 1.00 0.00 O ATOM 216 CB GLU A 16 7.925 2.958 -8.038 1.00 0.00 C ATOM 217 CG GLU A 16 7.128 4.245 -8.326 1.00 0.00 C ATOM 218 CD GLU A 16 7.026 4.473 -9.838 1.00 0.00 C ATOM 219 OE1 GLU A 16 7.716 3.787 -10.573 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.260 5.335 -10.235 1.00 0.00 O ATOM 0 H GLU A 16 8.136 0.382 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 16 6.484 1.667 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.422 3.039 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.706 2.830 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.130 4.169 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.616 5.098 -7.854 1.00 0.00 H new ATOM 227 N VAL A 17 4.688 1.898 -8.792 1.00 0.00 N ATOM 228 CA VAL A 17 3.615 2.054 -9.814 1.00 0.00 C ATOM 229 C VAL A 17 3.428 3.544 -10.103 1.00 0.00 C ATOM 230 O VAL A 17 4.206 4.367 -9.665 1.00 0.00 O ATOM 231 CB VAL A 17 2.307 1.467 -9.282 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.411 -0.059 -9.239 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.048 1.999 -7.870 1.00 0.00 C ATOM 0 H VAL A 17 4.359 1.805 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 17 3.893 1.529 -10.728 1.00 0.00 H new ATOM 0 HB VAL A 17 1.486 1.757 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.478 -0.477 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.597 -0.439 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.232 -0.349 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.116 1.582 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.870 1.709 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.974 3.086 -7.899 1.00 0.00 H new ATOM 243 N THR A 18 2.407 3.907 -10.829 1.00 0.00 N ATOM 244 CA THR A 18 2.198 5.352 -11.120 1.00 0.00 C ATOM 245 C THR A 18 1.922 6.076 -9.804 1.00 0.00 C ATOM 246 O THR A 18 1.100 5.659 -9.015 1.00 0.00 O ATOM 247 CB THR A 18 1.001 5.515 -12.072 1.00 0.00 C ATOM 248 OG1 THR A 18 0.386 4.251 -12.273 1.00 0.00 O ATOM 249 CG2 THR A 18 1.480 6.064 -13.420 1.00 0.00 C ATOM 0 H THR A 18 1.715 3.273 -11.229 1.00 0.00 H new ATOM 0 HA THR A 18 3.084 5.775 -11.594 1.00 0.00 H new ATOM 0 HB THR A 18 0.285 6.210 -11.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.378 4.352 -12.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.628 6.177 -14.090 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.955 7.033 -13.270 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.198 5.372 -13.860 1.00 0.00 H new ATOM 257 N LYS A 19 2.598 7.162 -9.564 1.00 0.00 N ATOM 258 CA LYS A 19 2.361 7.912 -8.301 1.00 0.00 C ATOM 259 C LYS A 19 0.885 8.273 -8.273 1.00 0.00 C ATOM 260 O LYS A 19 0.159 7.920 -7.366 1.00 0.00 O ATOM 261 CB LYS A 19 3.229 9.182 -8.268 1.00 0.00 C ATOM 262 CG LYS A 19 4.207 9.173 -9.452 1.00 0.00 C ATOM 263 CD LYS A 19 5.480 9.950 -9.087 1.00 0.00 C ATOM 264 CE LYS A 19 6.502 8.994 -8.462 1.00 0.00 C ATOM 265 NZ LYS A 19 7.562 9.783 -7.774 1.00 0.00 N ATOM 0 H LYS A 19 3.302 7.562 -10.184 1.00 0.00 H new ATOM 0 HA LYS A 19 2.627 7.311 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.596 10.068 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.780 9.233 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.461 8.147 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.736 9.621 -10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.901 10.418 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.241 10.752 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.009 8.330 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.945 8.363 -9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.256 9.135 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.039 10.399 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.132 10.366 -7.028 1.00 0.00 H new ATOM 279 N GLU A 20 0.431 8.945 -9.293 1.00 0.00 N ATOM 280 CA GLU A 20 -1.001 9.296 -9.375 1.00 0.00 C ATOM 281 C GLU A 20 -1.809 8.058 -9.004 1.00 0.00 C ATOM 282 O GLU A 20 -2.852 8.143 -8.398 1.00 0.00 O ATOM 283 CB GLU A 20 -1.331 9.737 -10.798 1.00 0.00 C ATOM 284 CG GLU A 20 -2.848 9.726 -11.019 1.00 0.00 C ATOM 285 CD GLU A 20 -3.148 9.950 -12.502 1.00 0.00 C ATOM 286 OE1 GLU A 20 -3.314 11.097 -12.885 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.207 8.973 -13.229 1.00 0.00 O ATOM 0 H GLU A 20 1.000 9.266 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.241 10.113 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.938 10.738 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.847 9.072 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.267 8.775 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.319 10.505 -10.420 1.00 0.00 H new ATOM 294 N ASP A 21 -1.319 6.900 -9.346 1.00 0.00 N ATOM 295 CA ASP A 21 -2.060 5.660 -8.985 1.00 0.00 C ATOM 296 C ASP A 21 -2.314 5.693 -7.482 1.00 0.00 C ATOM 297 O ASP A 21 -3.374 5.342 -7.008 1.00 0.00 O ATOM 298 CB ASP A 21 -1.230 4.423 -9.354 1.00 0.00 C ATOM 299 CG ASP A 21 -2.158 3.233 -9.607 1.00 0.00 C ATOM 300 OD1 ASP A 21 -1.818 2.141 -9.184 1.00 0.00 O ATOM 301 OD2 ASP A 21 -3.194 3.432 -10.221 1.00 0.00 O ATOM 0 H ASP A 21 -0.446 6.758 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.003 5.608 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.633 4.626 -10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.533 4.188 -8.549 1.00 0.00 H new ATOM 306 N LEU A 22 -1.348 6.145 -6.734 1.00 0.00 N ATOM 307 CA LEU A 22 -1.524 6.239 -5.261 1.00 0.00 C ATOM 308 C LEU A 22 -2.426 7.427 -4.964 1.00 0.00 C ATOM 309 O LEU A 22 -3.046 7.518 -3.923 1.00 0.00 O ATOM 310 CB LEU A 22 -0.161 6.431 -4.588 1.00 0.00 C ATOM 311 CG LEU A 22 0.891 5.591 -5.317 1.00 0.00 C ATOM 312 CD1 LEU A 22 2.220 5.675 -4.567 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.430 4.132 -5.374 1.00 0.00 C ATOM 0 H LEU A 22 -0.440 6.454 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.974 5.325 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.121 7.484 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.216 6.135 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 22 1.020 5.972 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.969 5.077 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.549 6.713 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.091 5.295 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.179 3.534 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.300 3.752 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.518 4.071 -5.909 1.00 0.00 H new ATOM 325 N LEU A 23 -2.502 8.334 -5.888 1.00 0.00 N ATOM 326 CA LEU A 23 -3.359 9.529 -5.706 1.00 0.00 C ATOM 327 C LEU A 23 -4.811 9.146 -5.996 1.00 0.00 C ATOM 328 O LEU A 23 -5.675 9.315 -5.158 1.00 0.00 O ATOM 329 CB LEU A 23 -2.865 10.615 -6.668 1.00 0.00 C ATOM 330 CG LEU A 23 -1.359 10.849 -6.438 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.904 12.093 -7.218 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.083 11.064 -4.943 1.00 0.00 C ATOM 0 H LEU A 23 -1.999 8.298 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.306 9.907 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.045 10.313 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.418 11.540 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.809 9.974 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.161 12.256 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.088 11.943 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.462 12.963 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.016 11.229 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.638 11.934 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.398 10.183 -4.384 1.00 0.00 H new ATOM 344 N LEU A 24 -5.102 8.598 -7.149 1.00 0.00 N ATOM 345 CA LEU A 24 -6.506 8.192 -7.404 1.00 0.00 C ATOM 346 C LEU A 24 -6.886 7.173 -6.347 1.00 0.00 C ATOM 347 O LEU A 24 -7.939 7.255 -5.770 1.00 0.00 O ATOM 348 CB LEU A 24 -6.682 7.587 -8.803 1.00 0.00 C ATOM 349 CG LEU A 24 -5.875 6.288 -8.960 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.774 5.074 -8.689 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.353 6.196 -10.397 1.00 0.00 C ATOM 0 H LEU A 24 -4.441 8.420 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.150 9.070 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.738 7.385 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.363 8.308 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.047 6.295 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.193 4.159 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.166 5.131 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.602 5.069 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.779 5.277 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.194 6.192 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.714 7.053 -10.607 1.00 0.00 H new ATOM 363 N LYS A 25 -6.026 6.230 -6.058 1.00 0.00 N ATOM 364 CA LYS A 25 -6.362 5.239 -5.001 1.00 0.00 C ATOM 365 C LYS A 25 -6.878 6.021 -3.792 1.00 0.00 C ATOM 366 O LYS A 25 -7.879 5.684 -3.190 1.00 0.00 O ATOM 367 CB LYS A 25 -5.107 4.440 -4.627 1.00 0.00 C ATOM 368 CG LYS A 25 -4.877 3.334 -5.666 1.00 0.00 C ATOM 369 CD LYS A 25 -3.449 2.790 -5.547 1.00 0.00 C ATOM 370 CE LYS A 25 -3.347 1.460 -6.295 1.00 0.00 C ATOM 371 NZ LYS A 25 -3.684 1.672 -7.730 1.00 0.00 N ATOM 0 H LYS A 25 -5.117 6.107 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.119 4.536 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.241 5.101 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.223 4.004 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.595 2.528 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.043 3.726 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.740 3.507 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.188 2.651 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.339 1.055 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.026 0.730 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.526 1.113 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.877 2.680 -7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.884 1.370 -8.323 1.00 0.00 H new ATOM 385 N SER A 26 -6.208 7.090 -3.464 1.00 0.00 N ATOM 386 CA SER A 26 -6.640 7.950 -2.331 1.00 0.00 C ATOM 387 C SER A 26 -7.931 8.678 -2.734 1.00 0.00 C ATOM 388 O SER A 26 -8.347 9.623 -2.094 1.00 0.00 O ATOM 389 CB SER A 26 -5.545 8.988 -2.052 1.00 0.00 C ATOM 390 OG SER A 26 -5.672 9.461 -0.717 1.00 0.00 O ATOM 0 H SER A 26 -5.365 7.408 -3.942 1.00 0.00 H new ATOM 0 HA SER A 26 -6.813 7.346 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.561 8.543 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.628 9.818 -2.753 1.00 0.00 H new ATOM 0 HG SER A 26 -6.603 9.717 -0.548 1.00 0.00 H new ATOM 396 N LYS A 27 -8.541 8.271 -3.821 1.00 0.00 N ATOM 397 CA LYS A 27 -9.771 8.972 -4.294 1.00 0.00 C ATOM 398 C LYS A 27 -10.756 9.183 -3.140 1.00 0.00 C ATOM 399 O LYS A 27 -11.226 10.283 -2.930 1.00 0.00 O ATOM 400 CB LYS A 27 -10.447 8.179 -5.427 1.00 0.00 C ATOM 401 CG LYS A 27 -10.310 6.664 -5.200 1.00 0.00 C ATOM 402 CD LYS A 27 -11.590 5.957 -5.650 1.00 0.00 C ATOM 403 CE LYS A 27 -11.743 6.120 -7.163 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.971 5.411 -7.619 1.00 0.00 N ATOM 0 H LYS A 27 -8.240 7.486 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.474 9.947 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.502 8.447 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.997 8.449 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.456 6.279 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.122 6.460 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.548 4.900 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.454 6.379 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.804 7.177 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.868 5.718 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.074 5.522 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.895 4.400 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.802 5.815 -7.142 1.00 0.00 H new ATOM 418 N GLY A 28 -11.072 8.168 -2.373 1.00 0.00 N ATOM 419 CA GLY A 28 -12.015 8.390 -1.245 1.00 0.00 C ATOM 420 C GLY A 28 -12.922 7.186 -1.044 1.00 0.00 C ATOM 421 O GLY A 28 -13.850 7.237 -0.267 1.00 0.00 O ATOM 0 H GLY A 28 -10.723 7.215 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.454 8.583 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.619 9.276 -1.441 1.00 0.00 H new ATOM 425 N THR A 29 -12.691 6.105 -1.731 1.00 0.00 N ATOM 426 CA THR A 29 -13.583 4.935 -1.536 1.00 0.00 C ATOM 427 C THR A 29 -12.906 3.639 -2.015 1.00 0.00 C ATOM 428 O THR A 29 -12.122 3.638 -2.944 1.00 0.00 O ATOM 429 CB THR A 29 -14.868 5.173 -2.331 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.698 6.310 -3.165 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.047 5.412 -1.380 1.00 0.00 C ATOM 0 H THR A 29 -11.937 5.982 -2.407 1.00 0.00 H new ATOM 0 HA THR A 29 -13.805 4.823 -0.475 1.00 0.00 H new ATOM 0 HB THR A 29 -15.078 4.293 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.519 6.465 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.954 5.580 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.181 4.540 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.845 6.287 -0.762 1.00 0.00 H new ATOM 439 N CYS A 30 -13.245 2.531 -1.406 1.00 0.00 N ATOM 440 CA CYS A 30 -12.673 1.216 -1.835 1.00 0.00 C ATOM 441 C CYS A 30 -13.188 0.925 -3.245 1.00 0.00 C ATOM 442 O CYS A 30 -14.329 1.203 -3.559 1.00 0.00 O ATOM 443 CB CYS A 30 -13.146 0.110 -0.878 1.00 0.00 C ATOM 444 SG CYS A 30 -12.573 -1.507 -1.471 1.00 0.00 S ATOM 0 H CYS A 30 -13.898 2.480 -0.624 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.584 1.249 -1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.762 0.296 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.234 0.117 -0.809 1.00 0.00 H new ATOM 449 N GLN A 31 -12.373 0.388 -4.109 1.00 0.00 N ATOM 450 CA GLN A 31 -12.860 0.117 -5.491 1.00 0.00 C ATOM 451 C GLN A 31 -13.713 -1.151 -5.512 1.00 0.00 C ATOM 452 O GLN A 31 -14.384 -1.436 -6.484 1.00 0.00 O ATOM 453 CB GLN A 31 -11.676 -0.037 -6.450 1.00 0.00 C ATOM 454 CG GLN A 31 -10.716 -1.125 -5.953 1.00 0.00 C ATOM 455 CD GLN A 31 -11.281 -2.515 -6.263 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.826 -3.498 -5.712 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.252 -2.645 -7.126 1.00 0.00 N ATOM 0 H GLN A 31 -11.404 0.128 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.470 0.960 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.039 -0.292 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.146 0.911 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.743 -1.006 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.560 -1.019 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.636 -1.822 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.627 -3.570 -7.336 1.00 0.00 H new ATOM 466 N SER A 32 -13.703 -1.912 -4.451 1.00 0.00 N ATOM 467 CA SER A 32 -14.525 -3.158 -4.417 1.00 0.00 C ATOM 468 C SER A 32 -15.636 -3.008 -3.375 1.00 0.00 C ATOM 469 O SER A 32 -16.582 -3.771 -3.351 1.00 0.00 O ATOM 470 CB SER A 32 -13.639 -4.347 -4.048 1.00 0.00 C ATOM 471 OG SER A 32 -12.760 -4.629 -5.129 1.00 0.00 O ATOM 0 H SER A 32 -13.162 -1.726 -3.607 1.00 0.00 H new ATOM 0 HA SER A 32 -14.967 -3.327 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.067 -4.124 -3.147 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.254 -5.219 -3.827 1.00 0.00 H new ATOM 0 HG SER A 32 -11.856 -4.327 -4.903 1.00 0.00 H new ATOM 477 N CYS A 33 -15.531 -2.029 -2.512 1.00 0.00 N ATOM 478 CA CYS A 33 -16.583 -1.828 -1.470 1.00 0.00 C ATOM 479 C CYS A 33 -17.095 -0.388 -1.520 1.00 0.00 C ATOM 480 O CYS A 33 -18.197 -0.103 -1.095 1.00 0.00 O ATOM 481 CB CYS A 33 -15.997 -2.103 -0.082 1.00 0.00 C ATOM 482 SG CYS A 33 -15.206 -3.724 -0.075 1.00 0.00 S ATOM 0 H CYS A 33 -14.762 -1.360 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.407 -2.515 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.272 -1.332 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.784 -2.067 0.671 1.00 0.00 H new ATOM 487 N GLY A 34 -16.309 0.529 -2.019 1.00 0.00 N ATOM 488 CA GLY A 34 -16.778 1.941 -2.062 1.00 0.00 C ATOM 489 C GLY A 34 -17.250 2.333 -0.665 1.00 0.00 C ATOM 490 O GLY A 34 -18.427 2.512 -0.421 1.00 0.00 O ATOM 0 H GLY A 34 -15.375 0.363 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.973 2.599 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.590 2.050 -2.781 1.00 0.00 H new ATOM 494 N VAL A 35 -16.337 2.428 0.264 1.00 0.00 N ATOM 495 CA VAL A 35 -16.716 2.762 1.668 1.00 0.00 C ATOM 496 C VAL A 35 -16.296 4.190 2.050 1.00 0.00 C ATOM 497 O VAL A 35 -17.051 4.895 2.686 1.00 0.00 O ATOM 498 CB VAL A 35 -16.056 1.744 2.606 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.734 0.378 2.414 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.568 1.626 2.268 1.00 0.00 C ATOM 0 H VAL A 35 -15.339 2.288 0.110 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.801 2.715 1.759 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.165 2.070 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.272 -0.354 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.795 0.462 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.616 0.056 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.100 0.902 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.455 1.295 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.089 2.597 2.392 1.00 0.00 H new ATOM 510 N THR A 36 -15.116 4.636 1.681 1.00 0.00 N ATOM 511 CA THR A 36 -14.707 6.025 2.056 1.00 0.00 C ATOM 512 C THR A 36 -13.202 6.194 1.859 1.00 0.00 C ATOM 513 O THR A 36 -12.523 5.303 1.397 1.00 0.00 O ATOM 514 CB THR A 36 -15.046 6.298 3.531 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.220 7.347 4.013 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.804 5.036 4.372 1.00 0.00 C ATOM 0 H THR A 36 -14.429 4.106 1.145 1.00 0.00 H new ATOM 0 HA THR A 36 -15.246 6.727 1.420 1.00 0.00 H new ATOM 0 HB THR A 36 -16.095 6.583 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.433 7.526 4.953 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.047 5.241 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.436 4.227 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.757 4.743 4.295 1.00 0.00 H new ATOM 524 N GLY A 37 -12.683 7.346 2.200 1.00 0.00 N ATOM 525 CA GLY A 37 -11.225 7.607 2.030 1.00 0.00 C ATOM 526 C GLY A 37 -10.471 7.283 3.316 1.00 0.00 C ATOM 527 O GLY A 37 -9.675 6.368 3.364 1.00 0.00 O ATOM 0 H GLY A 37 -13.214 8.123 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.835 7.003 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.065 8.651 1.761 1.00 0.00 H new ATOM 531 N PRO A 38 -10.698 8.036 4.353 1.00 0.00 N ATOM 532 CA PRO A 38 -10.009 7.814 5.638 1.00 0.00 C ATOM 533 C PRO A 38 -9.968 6.337 6.011 1.00 0.00 C ATOM 534 O PRO A 38 -10.970 5.649 6.014 1.00 0.00 O ATOM 535 CB PRO A 38 -10.813 8.613 6.668 1.00 0.00 C ATOM 536 CG PRO A 38 -11.929 9.290 5.917 1.00 0.00 C ATOM 537 CD PRO A 38 -11.619 9.171 4.422 1.00 0.00 C ATOM 0 HA PRO A 38 -8.968 8.134 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.210 7.957 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.181 9.348 7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.886 8.822 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.008 10.337 6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.522 8.991 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.164 10.082 4.033 1.00 0.00 H new ATOM 545 N ASN A 39 -8.809 5.858 6.324 1.00 0.00 N ATOM 546 CA ASN A 39 -8.650 4.430 6.706 1.00 0.00 C ATOM 547 C ASN A 39 -8.701 3.540 5.460 1.00 0.00 C ATOM 548 O ASN A 39 -9.009 2.369 5.542 1.00 0.00 O ATOM 549 CB ASN A 39 -9.768 4.020 7.677 1.00 0.00 C ATOM 550 CG ASN A 39 -9.196 3.134 8.788 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.106 3.370 9.271 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.894 2.118 9.218 1.00 0.00 N ATOM 0 H ASN A 39 -7.946 6.401 6.333 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.684 4.304 7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.229 4.908 8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.550 3.484 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.525 1.523 9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.809 1.920 8.813 1.00 0.00 H new ATOM 559 N LEU A 40 -8.383 4.069 4.309 1.00 0.00 N ATOM 560 CA LEU A 40 -8.405 3.213 3.087 1.00 0.00 C ATOM 561 C LEU A 40 -7.100 2.422 3.034 1.00 0.00 C ATOM 562 O LEU A 40 -6.211 2.618 3.835 1.00 0.00 O ATOM 563 CB LEU A 40 -8.516 4.077 1.816 1.00 0.00 C ATOM 564 CG LEU A 40 -9.980 4.304 1.401 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.995 4.948 0.011 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.745 2.972 1.334 1.00 0.00 C ATOM 0 H LEU A 40 -8.113 5.042 4.162 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.267 2.547 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.034 5.040 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.979 3.593 1.000 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.461 4.947 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.026 5.117 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.466 5.900 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.504 4.286 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.777 3.160 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.272 2.317 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.729 2.494 2.313 1.00 0.00 H new ATOM 578 N TRP A 41 -6.974 1.536 2.091 1.00 0.00 N ATOM 579 CA TRP A 41 -5.721 0.738 1.978 1.00 0.00 C ATOM 580 C TRP A 41 -5.639 0.136 0.574 1.00 0.00 C ATOM 581 O TRP A 41 -6.208 -0.903 0.297 1.00 0.00 O ATOM 582 CB TRP A 41 -5.724 -0.379 3.035 1.00 0.00 C ATOM 583 CG TRP A 41 -4.500 -0.273 3.892 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.234 -0.151 3.429 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.404 -0.278 5.346 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.368 -0.078 4.506 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.041 -0.152 5.709 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.356 -0.376 6.376 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.640 -0.126 7.045 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.956 -0.350 7.722 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.600 -0.224 8.056 1.00 0.00 C ATOM 0 H TRP A 41 -7.685 1.328 1.390 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.856 1.379 2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.619 -0.304 3.653 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.754 -1.353 2.547 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.946 -0.116 2.389 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.356 0.019 4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.403 -0.472 6.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.594 -0.031 7.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.697 -0.427 8.504 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.298 -0.203 9.093 1.00 0.00 H new ATOM 602 N ALA A 42 -4.953 0.789 -0.319 1.00 0.00 N ATOM 603 CA ALA A 42 -4.851 0.266 -1.706 1.00 0.00 C ATOM 604 C ALA A 42 -3.612 -0.612 -1.866 1.00 0.00 C ATOM 605 O ALA A 42 -2.563 -0.345 -1.311 1.00 0.00 O ATOM 606 CB ALA A 42 -4.761 1.440 -2.675 1.00 0.00 C ATOM 0 H ALA A 42 -4.458 1.664 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.734 -0.336 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.686 1.065 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.653 2.059 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.879 2.037 -2.442 1.00 0.00 H new ATOM 612 N CYS A 43 -3.731 -1.653 -2.642 1.00 0.00 N ATOM 613 CA CYS A 43 -2.575 -2.558 -2.877 1.00 0.00 C ATOM 614 C CYS A 43 -1.440 -1.761 -3.519 1.00 0.00 C ATOM 615 O CYS A 43 -1.672 -0.777 -4.192 1.00 0.00 O ATOM 616 CB CYS A 43 -3.006 -3.679 -3.819 1.00 0.00 C ATOM 617 SG CYS A 43 -1.810 -5.031 -3.737 1.00 0.00 S ATOM 0 H CYS A 43 -4.589 -1.917 -3.127 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.234 -2.983 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.997 -4.039 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.076 -3.303 -4.840 1.00 0.00 H new ATOM 622 N LEU A 44 -0.216 -2.165 -3.309 1.00 0.00 N ATOM 623 CA LEU A 44 0.924 -1.409 -3.905 1.00 0.00 C ATOM 624 C LEU A 44 1.918 -2.366 -4.565 1.00 0.00 C ATOM 625 O LEU A 44 3.113 -2.221 -4.413 1.00 0.00 O ATOM 626 CB LEU A 44 1.632 -0.620 -2.798 1.00 0.00 C ATOM 627 CG LEU A 44 2.594 0.409 -3.417 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.833 1.690 -3.769 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.700 0.746 -2.413 1.00 0.00 C ATOM 0 H LEU A 44 0.043 -2.981 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 44 0.541 -0.729 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.896 -0.113 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.183 -1.302 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 44 3.031 -0.015 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.521 2.413 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.045 1.460 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.391 2.110 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.381 1.475 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.256 1.163 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.252 -0.160 -2.162 1.00 0.00 H new ATOM 641 N GLN A 45 1.453 -3.339 -5.308 1.00 0.00 N ATOM 642 CA GLN A 45 2.415 -4.267 -5.971 1.00 0.00 C ATOM 643 C GLN A 45 2.752 -3.743 -7.369 1.00 0.00 C ATOM 644 O GLN A 45 1.949 -3.108 -8.023 1.00 0.00 O ATOM 645 CB GLN A 45 1.827 -5.677 -6.085 1.00 0.00 C ATOM 646 CG GLN A 45 1.027 -6.028 -4.823 1.00 0.00 C ATOM 647 CD GLN A 45 1.815 -7.043 -3.988 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.222 -8.072 -4.488 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.051 -6.791 -2.730 1.00 0.00 N ATOM 0 H GLN A 45 0.466 -3.528 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 45 3.319 -4.316 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.181 -5.739 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.629 -6.402 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.837 -5.128 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.056 -6.441 -5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.709 -5.927 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.577 -7.458 -2.166 1.00 0.00 H new ATOM 658 N VAL A 46 3.948 -3.997 -7.811 1.00 0.00 N ATOM 659 CA VAL A 46 4.393 -3.520 -9.156 1.00 0.00 C ATOM 660 C VAL A 46 3.273 -3.647 -10.198 1.00 0.00 C ATOM 661 O VAL A 46 3.305 -2.990 -11.220 1.00 0.00 O ATOM 662 CB VAL A 46 5.594 -4.356 -9.613 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.129 -5.763 -9.996 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.247 -3.688 -10.827 1.00 0.00 C ATOM 0 H VAL A 46 4.651 -4.523 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 46 4.664 -2.468 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 46 6.316 -4.424 -8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.986 -6.354 -10.320 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.665 -6.240 -9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.405 -5.698 -10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.101 -4.281 -11.153 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.522 -3.619 -11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.583 -2.687 -10.555 1.00 0.00 H new ATOM 674 N ALA A 47 2.294 -4.487 -9.979 1.00 0.00 N ATOM 675 CA ALA A 47 1.217 -4.626 -11.008 1.00 0.00 C ATOM 676 C ALA A 47 -0.133 -4.949 -10.360 1.00 0.00 C ATOM 677 O ALA A 47 -0.781 -5.913 -10.717 1.00 0.00 O ATOM 678 CB ALA A 47 1.589 -5.749 -11.976 1.00 0.00 C ATOM 0 H ALA A 47 2.193 -5.073 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 47 1.126 -3.678 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.807 -5.855 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.533 -5.510 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.692 -6.684 -11.426 1.00 0.00 H new ATOM 684 N CYS A 48 -0.577 -4.148 -9.429 1.00 0.00 N ATOM 685 CA CYS A 48 -1.898 -4.416 -8.791 1.00 0.00 C ATOM 686 C CYS A 48 -2.599 -3.091 -8.482 1.00 0.00 C ATOM 687 O CYS A 48 -2.562 -2.610 -7.367 1.00 0.00 O ATOM 688 CB CYS A 48 -1.695 -5.188 -7.493 1.00 0.00 C ATOM 689 SG CYS A 48 -3.266 -5.932 -6.993 1.00 0.00 S ATOM 0 H CYS A 48 -0.085 -3.324 -9.084 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.511 -5.004 -9.474 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.940 -5.962 -7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.330 -4.521 -6.712 1.00 0.00 H new ATOM 694 N PRO A 49 -3.239 -2.508 -9.460 1.00 0.00 N ATOM 695 CA PRO A 49 -3.963 -1.225 -9.286 1.00 0.00 C ATOM 696 C PRO A 49 -5.395 -1.430 -8.776 1.00 0.00 C ATOM 697 O PRO A 49 -6.290 -1.760 -9.527 1.00 0.00 O ATOM 698 CB PRO A 49 -3.973 -0.646 -10.700 1.00 0.00 C ATOM 699 CG PRO A 49 -3.987 -1.838 -11.610 1.00 0.00 C ATOM 700 CD PRO A 49 -3.339 -3.002 -10.841 1.00 0.00 C ATOM 0 HA PRO A 49 -3.492 -0.579 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.848 -0.016 -10.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.095 -0.025 -10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.007 -2.089 -11.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.437 -1.629 -12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.947 -3.905 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.359 -3.251 -11.247 1.00 0.00 H new ATOM 708 N TYR A 50 -5.609 -1.222 -7.506 1.00 0.00 N ATOM 709 CA TYR A 50 -6.970 -1.388 -6.921 1.00 0.00 C ATOM 710 C TYR A 50 -6.946 -0.822 -5.502 1.00 0.00 C ATOM 711 O TYR A 50 -6.043 -1.102 -4.739 1.00 0.00 O ATOM 712 CB TYR A 50 -7.337 -2.875 -6.863 1.00 0.00 C ATOM 713 CG TYR A 50 -7.675 -3.377 -8.247 1.00 0.00 C ATOM 714 CD1 TYR A 50 -8.831 -2.923 -8.894 1.00 0.00 C ATOM 715 CD2 TYR A 50 -6.832 -4.296 -8.885 1.00 0.00 C ATOM 716 CE1 TYR A 50 -9.143 -3.389 -10.178 1.00 0.00 C ATOM 717 CE2 TYR A 50 -7.145 -4.760 -10.168 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.301 -4.306 -10.815 1.00 0.00 C ATOM 719 OH TYR A 50 -8.609 -4.764 -12.079 1.00 0.00 O ATOM 0 H TYR A 50 -4.889 -0.940 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.706 -0.867 -7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.505 -3.448 -6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.186 -3.023 -6.196 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.482 -2.214 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.940 -4.647 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.035 -3.039 -10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.495 -5.469 -10.659 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.920 -5.394 -12.376 1.00 0.00 H new ATOM 729 N VAL A 51 -7.913 -0.022 -5.135 1.00 0.00 N ATOM 730 CA VAL A 51 -7.904 0.552 -3.758 1.00 0.00 C ATOM 731 C VAL A 51 -8.883 -0.211 -2.868 1.00 0.00 C ATOM 732 O VAL A 51 -10.083 -0.068 -2.968 1.00 0.00 O ATOM 733 CB VAL A 51 -8.263 2.040 -3.811 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.440 2.261 -4.766 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.633 2.541 -2.408 1.00 0.00 C ATOM 0 H VAL A 51 -8.700 0.256 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.905 0.453 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.400 2.598 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.689 3.322 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.166 1.923 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.304 1.696 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.887 3.600 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.489 1.979 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.786 2.400 -1.736 1.00 0.00 H new ATOM 745 N GLY A 52 -8.363 -1.028 -1.994 1.00 0.00 N ATOM 746 CA GLY A 52 -9.240 -1.820 -1.090 1.00 0.00 C ATOM 747 C GLY A 52 -9.599 -1.000 0.148 1.00 0.00 C ATOM 748 O GLY A 52 -9.282 0.168 0.249 1.00 0.00 O ATOM 0 H GLY A 52 -7.363 -1.181 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.148 -2.113 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.734 -2.738 -0.793 1.00 0.00 H new ATOM 752 N CYS A 53 -10.266 -1.609 1.090 1.00 0.00 N ATOM 753 CA CYS A 53 -10.664 -0.885 2.328 1.00 0.00 C ATOM 754 C CYS A 53 -9.699 -1.200 3.448 1.00 0.00 C ATOM 755 O CYS A 53 -8.881 -2.095 3.376 1.00 0.00 O ATOM 756 CB CYS A 53 -12.028 -1.381 2.832 1.00 0.00 C ATOM 757 SG CYS A 53 -12.369 -3.023 2.152 1.00 0.00 S ATOM 0 H CYS A 53 -10.554 -2.587 1.053 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.683 0.176 2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.032 -1.420 3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.812 -0.684 2.535 1.00 0.00 H new ATOM 762 N GLY A 54 -9.888 -0.508 4.518 1.00 0.00 N ATOM 763 CA GLY A 54 -9.116 -0.760 5.747 1.00 0.00 C ATOM 764 C GLY A 54 -10.171 -1.205 6.742 1.00 0.00 C ATOM 765 O GLY A 54 -11.340 -0.968 6.518 1.00 0.00 O ATOM 0 H GLY A 54 -10.569 0.248 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.358 -1.529 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.597 0.137 6.086 1.00 0.00 H new ATOM 769 N GLU A 55 -9.818 -1.864 7.802 1.00 0.00 N ATOM 770 CA GLU A 55 -10.871 -2.320 8.765 1.00 0.00 C ATOM 771 C GLU A 55 -12.097 -1.430 8.649 1.00 0.00 C ATOM 772 O GLU A 55 -13.219 -1.886 8.723 1.00 0.00 O ATOM 773 CB GLU A 55 -10.340 -2.234 10.184 1.00 0.00 C ATOM 774 CG GLU A 55 -10.164 -0.766 10.585 1.00 0.00 C ATOM 775 CD GLU A 55 -9.293 -0.679 11.839 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.236 -1.657 12.566 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.699 0.366 12.052 1.00 0.00 O ATOM 0 H GLU A 55 -8.859 -2.109 8.050 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.139 -3.350 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.028 -2.728 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.387 -2.757 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.703 -0.208 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.136 -0.310 10.773 1.00 0.00 H new ATOM 784 N SER A 56 -11.876 -0.164 8.441 1.00 0.00 N ATOM 785 CA SER A 56 -13.010 0.788 8.278 1.00 0.00 C ATOM 786 C SER A 56 -14.204 0.028 7.704 1.00 0.00 C ATOM 787 O SER A 56 -15.325 0.176 8.149 1.00 0.00 O ATOM 788 CB SER A 56 -12.587 1.894 7.312 1.00 0.00 C ATOM 789 OG SER A 56 -12.489 3.121 8.023 1.00 0.00 O ATOM 0 H SER A 56 -10.949 0.257 8.376 1.00 0.00 H new ATOM 0 HA SER A 56 -13.284 1.229 9.237 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.629 1.647 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.313 1.985 6.504 1.00 0.00 H new ATOM 0 HG SER A 56 -12.614 3.869 7.403 1.00 0.00 H new ATOM 795 N PHE A 57 -13.956 -0.807 6.727 1.00 0.00 N ATOM 796 CA PHE A 57 -15.063 -1.612 6.128 1.00 0.00 C ATOM 797 C PHE A 57 -14.797 -3.093 6.364 1.00 0.00 C ATOM 798 O PHE A 57 -15.151 -3.652 7.382 1.00 0.00 O ATOM 799 CB PHE A 57 -15.147 -1.370 4.626 1.00 0.00 C ATOM 800 CG PHE A 57 -16.244 -2.241 4.049 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.571 -2.063 4.462 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.934 -3.230 3.106 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.584 -2.872 3.934 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.949 -4.037 2.578 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.274 -3.858 2.992 1.00 0.00 C ATOM 0 H PHE A 57 -13.035 -0.966 6.318 1.00 0.00 H new ATOM 0 HA PHE A 57 -16.001 -1.313 6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.355 -0.319 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.193 -1.603 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.812 -1.301 5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.912 -3.370 2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.606 -2.735 4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.709 -4.798 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.056 -4.481 2.584 1.00 0.00 H new ATOM 815 N ALA A 58 -14.167 -3.721 5.416 1.00 0.00 N ATOM 816 CA ALA A 58 -13.847 -5.174 5.542 1.00 0.00 C ATOM 817 C ALA A 58 -12.335 -5.347 5.445 1.00 0.00 C ATOM 818 O ALA A 58 -11.813 -6.442 5.501 1.00 0.00 O ATOM 819 CB ALA A 58 -14.526 -5.947 4.409 1.00 0.00 C ATOM 0 H ALA A 58 -13.855 -3.288 4.547 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.206 -5.556 6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.292 -7.008 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.605 -5.807 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.165 -5.578 3.449 1.00 0.00 H new ATOM 825 N ASP A 59 -11.632 -4.259 5.302 1.00 0.00 N ATOM 826 CA ASP A 59 -10.151 -4.321 5.202 1.00 0.00 C ATOM 827 C ASP A 59 -9.735 -5.270 4.077 1.00 0.00 C ATOM 828 O ASP A 59 -9.085 -6.268 4.314 1.00 0.00 O ATOM 829 CB ASP A 59 -9.560 -4.812 6.530 1.00 0.00 C ATOM 830 CG ASP A 59 -8.058 -5.054 6.373 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.679 -6.192 6.152 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.312 -4.097 6.484 1.00 0.00 O ATOM 0 H ASP A 59 -12.027 -3.320 5.250 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.774 -3.322 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.739 -4.074 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.055 -5.732 6.840 1.00 0.00 H new ATOM 837 N HIS A 60 -10.070 -4.965 2.846 1.00 0.00 N ATOM 838 CA HIS A 60 -9.635 -5.864 1.739 1.00 0.00 C ATOM 839 C HIS A 60 -8.147 -6.117 1.945 1.00 0.00 C ATOM 840 O HIS A 60 -7.602 -7.112 1.535 1.00 0.00 O ATOM 841 CB HIS A 60 -9.848 -5.183 0.377 1.00 0.00 C ATOM 842 CG HIS A 60 -11.028 -5.786 -0.340 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.179 -5.057 -0.646 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.245 -7.052 -0.826 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.019 -5.895 -1.284 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.498 -7.114 -1.418 1.00 0.00 N ATOM 0 H HIS A 60 -10.615 -4.149 2.567 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.210 -6.790 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.010 -4.115 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.951 -5.290 -0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.547 -7.873 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.997 -5.613 -1.644 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.930 -7.924 -1.863 1.00 0.00 H new ATOM 854 N SER A 61 -7.500 -5.199 2.600 1.00 0.00 N ATOM 855 CA SER A 61 -6.044 -5.340 2.870 1.00 0.00 C ATOM 856 C SER A 61 -5.728 -6.762 3.335 1.00 0.00 C ATOM 857 O SER A 61 -4.656 -7.279 3.088 1.00 0.00 O ATOM 858 CB SER A 61 -5.658 -4.347 3.969 1.00 0.00 C ATOM 859 OG SER A 61 -4.305 -3.950 3.794 1.00 0.00 O ATOM 0 H SER A 61 -7.923 -4.345 2.965 1.00 0.00 H new ATOM 0 HA SER A 61 -5.481 -5.138 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.312 -3.475 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.790 -4.804 4.950 1.00 0.00 H new ATOM 0 HG SER A 61 -4.247 -2.972 3.804 1.00 0.00 H new ATOM 865 N THR A 62 -6.641 -7.397 4.017 1.00 0.00 N ATOM 866 CA THR A 62 -6.370 -8.774 4.503 1.00 0.00 C ATOM 867 C THR A 62 -6.792 -9.803 3.460 1.00 0.00 C ATOM 868 O THR A 62 -5.975 -10.528 2.928 1.00 0.00 O ATOM 869 CB THR A 62 -7.156 -9.034 5.783 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.417 -8.384 5.704 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.379 -8.509 6.993 1.00 0.00 C ATOM 0 H THR A 62 -7.559 -7.022 4.257 1.00 0.00 H new ATOM 0 HA THR A 62 -5.300 -8.864 4.691 1.00 0.00 H new ATOM 0 HB THR A 62 -7.306 -10.107 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.321 -7.449 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.949 -8.700 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.416 -9.016 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.217 -7.437 6.884 1.00 0.00 H new ATOM 879 N ILE A 63 -8.064 -9.898 3.183 1.00 0.00 N ATOM 880 CA ILE A 63 -8.512 -10.911 2.196 1.00 0.00 C ATOM 881 C ILE A 63 -7.784 -10.679 0.873 1.00 0.00 C ATOM 882 O ILE A 63 -7.492 -11.601 0.138 1.00 0.00 O ATOM 883 CB ILE A 63 -10.017 -10.830 1.974 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.412 -9.376 1.782 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.751 -11.408 3.186 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.822 -9.300 1.193 1.00 0.00 C ATOM 0 H ILE A 63 -8.801 -9.325 3.593 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.278 -11.903 2.583 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.288 -11.405 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.377 -8.850 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.703 -8.881 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.827 -11.348 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.463 -12.450 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.487 -10.838 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.103 -8.256 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.842 -9.810 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.527 -9.779 1.873 1.00 0.00 H new ATOM 898 N HIS A 64 -7.488 -9.449 0.571 1.00 0.00 N ATOM 899 CA HIS A 64 -6.772 -9.139 -0.698 1.00 0.00 C ATOM 900 C HIS A 64 -5.322 -9.609 -0.588 1.00 0.00 C ATOM 901 O HIS A 64 -4.779 -10.190 -1.507 1.00 0.00 O ATOM 902 CB HIS A 64 -6.790 -7.633 -0.962 1.00 0.00 C ATOM 903 CG HIS A 64 -6.087 -7.361 -2.260 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.768 -7.036 -3.422 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.758 -7.383 -2.597 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.853 -6.879 -4.396 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.612 -7.080 -3.945 1.00 0.00 N ATOM 0 H HIS A 64 -7.711 -8.640 1.150 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.271 -9.652 -1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.817 -7.270 -1.006 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.298 -7.101 -0.148 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.778 -6.934 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.948 -7.603 -1.918 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.093 -6.622 -5.417 1.00 0.00 H new ATOM 915 N ALA A 65 -4.692 -9.389 0.536 1.00 0.00 N ATOM 916 CA ALA A 65 -3.286 -9.857 0.695 1.00 0.00 C ATOM 917 C ALA A 65 -3.347 -11.359 0.920 1.00 0.00 C ATOM 918 O ALA A 65 -2.391 -12.084 0.761 1.00 0.00 O ATOM 919 CB ALA A 65 -2.643 -9.175 1.904 1.00 0.00 C ATOM 0 H ALA A 65 -5.087 -8.909 1.345 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.690 -9.615 -0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.616 -9.522 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.647 -8.095 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.207 -9.421 2.803 1.00 0.00 H new ATOM 925 N GLN A 66 -4.497 -11.798 1.312 1.00 0.00 N ATOM 926 CA GLN A 66 -4.751 -13.229 1.599 1.00 0.00 C ATOM 927 C GLN A 66 -5.071 -13.985 0.302 1.00 0.00 C ATOM 928 O GLN A 66 -4.726 -15.138 0.141 1.00 0.00 O ATOM 929 CB GLN A 66 -5.971 -13.245 2.512 1.00 0.00 C ATOM 930 CG GLN A 66 -6.575 -14.647 2.652 1.00 0.00 C ATOM 931 CD GLN A 66 -6.094 -15.293 3.954 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.118 -14.675 4.999 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.654 -16.523 3.935 1.00 0.00 N ATOM 0 H GLN A 66 -5.310 -11.198 1.452 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.884 -13.708 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.690 -12.873 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.726 -12.564 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.663 -14.586 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.286 -15.264 1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.633 -17.044 3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.331 -16.963 4.797 1.00 0.00 H new ATOM 942 N ALA A 67 -5.755 -13.347 -0.608 1.00 0.00 N ATOM 943 CA ALA A 67 -6.135 -14.027 -1.877 1.00 0.00 C ATOM 944 C ALA A 67 -5.034 -13.845 -2.917 1.00 0.00 C ATOM 945 O ALA A 67 -4.670 -14.764 -3.623 1.00 0.00 O ATOM 946 CB ALA A 67 -7.443 -13.420 -2.399 1.00 0.00 C ATOM 0 H ALA A 67 -6.068 -12.380 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.271 -15.092 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.728 -13.913 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.230 -13.560 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.302 -12.355 -2.582 1.00 0.00 H new ATOM 952 N LYS A 68 -4.513 -12.657 -3.024 1.00 0.00 N ATOM 953 CA LYS A 68 -3.446 -12.393 -4.028 1.00 0.00 C ATOM 954 C LYS A 68 -2.079 -12.475 -3.355 1.00 0.00 C ATOM 955 O LYS A 68 -1.055 -12.231 -3.963 1.00 0.00 O ATOM 956 CB LYS A 68 -3.658 -11.002 -4.618 1.00 0.00 C ATOM 957 CG LYS A 68 -5.066 -10.925 -5.230 1.00 0.00 C ATOM 958 CD LYS A 68 -6.049 -10.314 -4.226 1.00 0.00 C ATOM 959 CE LYS A 68 -7.370 -9.988 -4.934 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.495 -10.099 -3.962 1.00 0.00 N ATOM 0 H LYS A 68 -4.781 -11.853 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.490 -13.136 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.542 -10.243 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.905 -10.798 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.043 -10.323 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.401 -11.922 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.226 -11.010 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.625 -9.409 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.333 -8.981 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.527 -10.672 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.400 -10.029 -4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.442 -11.015 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.429 -9.330 -3.265 1.00 0.00 H new ATOM 974 N LYS A 69 -2.061 -12.830 -2.105 1.00 0.00 N ATOM 975 CA LYS A 69 -0.772 -12.951 -1.373 1.00 0.00 C ATOM 976 C LYS A 69 0.013 -11.636 -1.462 1.00 0.00 C ATOM 977 O LYS A 69 1.193 -11.591 -1.173 1.00 0.00 O ATOM 978 CB LYS A 69 0.055 -14.094 -1.978 1.00 0.00 C ATOM 979 CG LYS A 69 -0.242 -15.406 -1.239 1.00 0.00 C ATOM 980 CD LYS A 69 -1.759 -15.608 -1.107 1.00 0.00 C ATOM 981 CE LYS A 69 -2.075 -17.105 -1.048 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.163 -17.767 -0.074 1.00 0.00 N ATOM 0 H LYS A 69 -2.891 -13.044 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.976 -13.166 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.180 -14.202 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.118 -13.861 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.198 -16.244 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.217 -15.387 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.125 -15.113 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.272 -15.151 -1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.113 -17.257 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.956 -17.552 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.581 -18.668 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.245 -17.949 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.026 -17.147 0.750 1.00 0.00 H new ATOM 996 N HIS A 70 -0.631 -10.560 -1.828 1.00 0.00 N ATOM 997 CA HIS A 70 0.092 -9.253 -1.894 1.00 0.00 C ATOM 998 C HIS A 70 0.269 -8.754 -0.458 1.00 0.00 C ATOM 999 O HIS A 70 -0.690 -8.570 0.264 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.729 -8.257 -2.719 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.750 -8.716 -4.154 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.735 -8.319 -5.046 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.088 -9.543 -4.868 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.468 -8.899 -6.231 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.371 -9.652 -6.174 1.00 0.00 N ATOM 0 H HIS A 70 -1.618 -10.527 -2.083 1.00 0.00 H new ATOM 0 HA HIS A 70 1.065 -9.363 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.745 -8.191 -2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.295 -7.260 -2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.967 -10.031 -4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.069 -8.770 -7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.045 -10.195 -6.931 1.00 0.00 H new ATOM 1013 N ASN A 71 1.487 -8.579 -0.016 1.00 0.00 N ATOM 1014 CA ASN A 71 1.707 -8.146 1.393 1.00 0.00 C ATOM 1015 C ASN A 71 1.753 -6.624 1.508 1.00 0.00 C ATOM 1016 O ASN A 71 1.204 -6.049 2.426 1.00 0.00 O ATOM 1017 CB ASN A 71 3.032 -8.729 1.881 1.00 0.00 C ATOM 1018 CG ASN A 71 4.087 -8.596 0.780 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.105 -7.623 0.055 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.969 -9.544 0.622 1.00 0.00 N ATOM 0 H ASN A 71 2.334 -8.717 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 71 0.877 -8.505 2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.362 -8.207 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.903 -9.777 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.674 -9.468 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.954 -10.362 1.232 1.00 0.00 H new ATOM 1027 N LEU A 72 2.434 -5.970 0.615 1.00 0.00 N ATOM 1028 CA LEU A 72 2.554 -4.489 0.716 1.00 0.00 C ATOM 1029 C LEU A 72 1.323 -3.765 0.175 1.00 0.00 C ATOM 1030 O LEU A 72 0.820 -4.047 -0.895 1.00 0.00 O ATOM 1031 CB LEU A 72 3.784 -4.042 -0.064 1.00 0.00 C ATOM 1032 CG LEU A 72 5.041 -4.555 0.639 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.234 -4.425 -0.303 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.304 -3.737 1.913 1.00 0.00 C ATOM 0 H LEU A 72 2.913 -6.393 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 72 2.644 -4.233 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.741 -4.425 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.810 -2.954 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 72 4.897 -5.601 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.132 -4.790 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.053 -5.014 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.370 -3.378 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.201 -4.110 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.444 -2.689 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.453 -3.831 2.588 1.00 0.00 H new ATOM 1046 N THR A 73 0.874 -2.795 0.921 1.00 0.00 N ATOM 1047 CA THR A 73 -0.291 -1.962 0.521 1.00 0.00 C ATOM 1048 C THR A 73 -0.070 -0.586 1.146 1.00 0.00 C ATOM 1049 O THR A 73 0.717 -0.458 2.060 1.00 0.00 O ATOM 1050 CB THR A 73 -1.590 -2.575 1.054 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.784 -2.168 2.402 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.509 -4.102 0.988 1.00 0.00 C ATOM 0 H THR A 73 1.281 -2.539 1.820 1.00 0.00 H new ATOM 0 HA THR A 73 -0.376 -1.899 -0.564 1.00 0.00 H new ATOM 0 HB THR A 73 -2.427 -2.234 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.684 -1.794 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.435 -4.532 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.361 -4.414 -0.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.672 -4.449 1.595 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.715 0.448 0.677 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.458 1.793 1.285 1.00 0.00 C ATOM 1062 C VAL A 74 -1.741 2.407 1.841 1.00 0.00 C ATOM 1063 O VAL A 74 -2.750 2.509 1.173 1.00 0.00 O ATOM 1064 CB VAL A 74 0.152 2.719 0.229 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.616 2.570 -1.085 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.069 4.176 0.698 1.00 0.00 C ATOM 0 H VAL A 74 -1.395 0.427 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 74 0.238 1.669 2.115 1.00 0.00 H new ATOM 0 HB VAL A 74 1.197 2.447 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.182 3.229 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.553 1.537 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.661 2.837 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.505 4.827 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.975 4.449 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.617 4.289 1.633 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.682 2.826 3.078 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.859 3.455 3.733 1.00 0.00 C ATOM 1078 C ASN A 75 -2.952 4.914 3.279 1.00 0.00 C ATOM 1079 O ASN A 75 -2.311 5.787 3.829 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.670 3.390 5.258 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.011 3.131 5.949 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.766 2.277 5.534 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.337 3.833 6.999 1.00 0.00 N ATOM 0 H ASN A 75 -0.853 2.756 3.668 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.775 2.932 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.964 2.599 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.242 4.325 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.226 3.663 7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.703 4.551 7.349 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.737 5.186 2.275 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.860 6.587 1.787 1.00 0.00 C ATOM 1092 C LEU A 76 -4.490 7.442 2.882 1.00 0.00 C ATOM 1093 O LEU A 76 -4.834 8.588 2.677 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.729 6.601 0.529 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.256 5.482 -0.425 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.443 4.609 -0.835 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.609 6.082 -1.680 1.00 0.00 C ATOM 0 H LEU A 76 -4.298 4.499 1.771 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.878 6.993 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.776 6.452 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.660 7.570 0.035 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.518 4.874 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.101 3.822 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.888 4.159 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.187 5.222 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.282 5.279 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.335 6.707 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.750 6.688 -1.392 1.00 0.00 H new ATOM 1109 N THR A 77 -4.624 6.887 4.053 1.00 0.00 N ATOM 1110 CA THR A 77 -5.207 7.648 5.187 1.00 0.00 C ATOM 1111 C THR A 77 -4.075 8.330 5.950 1.00 0.00 C ATOM 1112 O THR A 77 -4.196 9.453 6.396 1.00 0.00 O ATOM 1113 CB THR A 77 -5.932 6.679 6.116 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.926 5.989 5.377 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.571 7.455 7.271 1.00 0.00 C ATOM 0 H THR A 77 -4.351 5.929 4.273 1.00 0.00 H new ATOM 0 HA THR A 77 -5.910 8.395 4.819 1.00 0.00 H new ATOM 0 HB THR A 77 -5.225 5.959 6.529 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.310 6.590 4.705 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.088 6.761 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.796 7.980 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.284 8.177 6.874 1.00 0.00 H new ATOM 1123 N THR A 78 -2.975 7.641 6.106 1.00 0.00 N ATOM 1124 CA THR A 78 -1.815 8.226 6.849 1.00 0.00 C ATOM 1125 C THR A 78 -0.588 8.340 5.936 1.00 0.00 C ATOM 1126 O THR A 78 0.360 9.032 6.250 1.00 0.00 O ATOM 1127 CB THR A 78 -1.475 7.329 8.039 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.648 7.105 8.809 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.414 8.008 8.906 1.00 0.00 C ATOM 0 H THR A 78 -2.828 6.696 5.751 1.00 0.00 H new ATOM 0 HA THR A 78 -2.088 9.223 7.195 1.00 0.00 H new ATOM 0 HB THR A 78 -1.088 6.376 7.678 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.645 7.697 9.590 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.173 7.367 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.485 8.180 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.797 8.962 9.269 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.596 7.679 4.811 1.00 0.00 N ATOM 1138 CA PHE A 79 0.572 7.762 3.878 1.00 0.00 C ATOM 1139 C PHE A 79 1.710 6.848 4.357 1.00 0.00 C ATOM 1140 O PHE A 79 2.842 7.266 4.504 1.00 0.00 O ATOM 1141 CB PHE A 79 1.065 9.217 3.793 1.00 0.00 C ATOM 1142 CG PHE A 79 1.520 9.528 2.382 1.00 0.00 C ATOM 1143 CD1 PHE A 79 1.010 10.649 1.714 1.00 0.00 C ATOM 1144 CD2 PHE A 79 2.448 8.697 1.743 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.428 10.938 0.410 1.00 0.00 C ATOM 1146 CE2 PHE A 79 2.867 8.987 0.439 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.358 10.108 -0.227 1.00 0.00 C ATOM 0 H PHE A 79 -1.361 7.083 4.494 1.00 0.00 H new ATOM 0 HA PHE A 79 0.256 7.430 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.266 9.898 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.887 9.373 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.294 11.291 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.841 7.832 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.033 11.801 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.583 8.346 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.683 10.333 -1.232 1.00 0.00 H new ATOM 1157 N ARG A 80 1.418 5.596 4.564 1.00 0.00 N ATOM 1158 CA ARG A 80 2.465 4.623 4.990 1.00 0.00 C ATOM 1159 C ARG A 80 2.147 3.297 4.309 1.00 0.00 C ATOM 1160 O ARG A 80 1.183 3.190 3.580 1.00 0.00 O ATOM 1161 CB ARG A 80 2.464 4.437 6.514 1.00 0.00 C ATOM 1162 CG ARG A 80 1.138 4.922 7.116 1.00 0.00 C ATOM 1163 CD ARG A 80 0.885 4.185 8.436 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.134 4.922 9.242 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.355 4.461 9.365 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.222 5.111 10.092 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.712 3.359 8.760 1.00 0.00 N ATOM 0 H ARG A 80 0.485 5.198 4.455 1.00 0.00 H new ATOM 0 HA ARG A 80 3.452 4.990 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.617 3.386 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.294 4.991 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.174 5.998 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.320 4.738 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.539 3.171 8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.814 4.100 8.999 1.00 0.00 H new ATOM 0 HE ARG A 80 0.123 5.795 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.949 5.974 10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.173 4.756 10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.039 2.851 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.664 3.007 8.861 1.00 0.00 H new ATOM 1181 N LEU A 81 2.936 2.288 4.530 1.00 0.00 N ATOM 1182 CA LEU A 81 2.658 0.979 3.877 1.00 0.00 C ATOM 1183 C LEU A 81 2.304 -0.060 4.933 1.00 0.00 C ATOM 1184 O LEU A 81 2.309 0.205 6.118 1.00 0.00 O ATOM 1185 CB LEU A 81 3.895 0.524 3.093 1.00 0.00 C ATOM 1186 CG LEU A 81 3.763 0.921 1.619 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.154 1.208 1.041 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.096 -0.209 0.811 1.00 0.00 C ATOM 0 H LEU A 81 3.759 2.310 5.132 1.00 0.00 H new ATOM 0 HA LEU A 81 1.818 1.089 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.791 0.975 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.011 -0.557 3.177 1.00 0.00 H new ATOM 0 HG LEU A 81 3.142 1.814 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.061 1.490 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.618 2.023 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.773 0.315 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.011 0.092 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.702 -1.112 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.103 -0.407 1.214 1.00 0.00 H new ATOM 1200 N TRP A 82 2.000 -1.242 4.496 1.00 0.00 N ATOM 1201 CA TRP A 82 1.643 -2.330 5.440 1.00 0.00 C ATOM 1202 C TRP A 82 1.946 -3.660 4.761 1.00 0.00 C ATOM 1203 O TRP A 82 1.304 -4.041 3.803 1.00 0.00 O ATOM 1204 CB TRP A 82 0.155 -2.240 5.781 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.145 -3.083 6.981 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.495 -3.001 8.172 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -1.151 -4.126 7.130 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.053 -3.929 9.039 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -1.071 -4.646 8.444 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -2.116 -4.667 6.261 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.918 -5.666 8.880 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.970 -5.692 6.697 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -2.871 -6.191 8.003 1.00 0.00 C ATOM 0 H TRP A 82 1.983 -1.506 3.511 1.00 0.00 H new ATOM 0 HA TRP A 82 2.216 -2.243 6.363 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.120 -1.203 5.976 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.442 -2.574 4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.301 -2.322 8.406 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.257 -4.067 10.001 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.200 -4.291 5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.838 -6.047 9.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.708 -6.099 6.022 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.531 -6.981 8.331 1.00 0.00 H new ATOM 1224 N CYS A 83 2.937 -4.357 5.232 1.00 0.00 N ATOM 1225 CA CYS A 83 3.302 -5.646 4.600 1.00 0.00 C ATOM 1226 C CYS A 83 2.602 -6.795 5.310 1.00 0.00 C ATOM 1227 O CYS A 83 2.940 -7.129 6.418 1.00 0.00 O ATOM 1228 CB CYS A 83 4.813 -5.843 4.719 1.00 0.00 C ATOM 1229 SG CYS A 83 5.426 -6.649 3.225 1.00 0.00 S ATOM 0 H CYS A 83 3.511 -4.087 6.031 1.00 0.00 H new ATOM 0 HA CYS A 83 2.998 -5.631 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.307 -4.881 4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.045 -6.449 5.595 1.00 0.00 H new ATOM 1234 N TYR A 84 1.657 -7.432 4.680 1.00 0.00 N ATOM 1235 CA TYR A 84 1.006 -8.585 5.353 1.00 0.00 C ATOM 1236 C TYR A 84 2.038 -9.707 5.401 1.00 0.00 C ATOM 1237 O TYR A 84 1.786 -10.791 5.889 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.234 -9.034 4.568 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.153 -9.814 5.480 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.213 -11.210 5.386 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -1.943 -9.140 6.418 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.065 -11.931 6.231 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.795 -9.862 7.263 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.856 -11.257 7.170 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.695 -11.969 8.003 1.00 0.00 O ATOM 0 H TYR A 84 1.313 -7.209 3.746 1.00 0.00 H new ATOM 0 HA TYR A 84 0.676 -8.314 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.756 -8.166 4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.063 -9.651 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.603 -11.730 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.896 -8.063 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.112 -13.008 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.405 -9.342 7.987 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.171 -11.350 8.595 1.00 0.00 H new ATOM 1255 N ALA A 85 3.222 -9.422 4.920 1.00 0.00 N ATOM 1256 CA ALA A 85 4.317 -10.424 4.951 1.00 0.00 C ATOM 1257 C ALA A 85 5.207 -10.064 6.135 1.00 0.00 C ATOM 1258 O ALA A 85 5.196 -10.725 7.154 1.00 0.00 O ATOM 1259 CB ALA A 85 5.133 -10.370 3.657 1.00 0.00 C ATOM 0 H ALA A 85 3.474 -8.526 4.503 1.00 0.00 H new ATOM 0 HA ALA A 85 3.913 -11.432 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.931 -11.112 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.483 -10.583 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.567 -9.377 3.542 1.00 0.00 H new ATOM 1265 N CYS A 86 5.935 -8.978 6.037 1.00 0.00 N ATOM 1266 CA CYS A 86 6.755 -8.553 7.189 1.00 0.00 C ATOM 1267 C CYS A 86 5.763 -8.228 8.293 1.00 0.00 C ATOM 1268 O CYS A 86 6.104 -8.060 9.447 1.00 0.00 O ATOM 1269 CB CYS A 86 7.565 -7.302 6.820 1.00 0.00 C ATOM 1270 SG CYS A 86 8.527 -7.622 5.321 1.00 0.00 S ATOM 0 H CYS A 86 5.990 -8.379 5.213 1.00 0.00 H new ATOM 0 HA CYS A 86 7.463 -9.323 7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.895 -6.457 6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.230 -7.032 7.640 1.00 0.00 H new ATOM 1275 N GLU A 87 4.513 -8.155 7.914 1.00 0.00 N ATOM 1276 CA GLU A 87 3.429 -7.858 8.883 1.00 0.00 C ATOM 1277 C GLU A 87 3.822 -6.648 9.734 1.00 0.00 C ATOM 1278 O GLU A 87 3.970 -6.729 10.937 1.00 0.00 O ATOM 1279 CB GLU A 87 3.194 -9.103 9.741 1.00 0.00 C ATOM 1280 CG GLU A 87 1.767 -9.620 9.534 1.00 0.00 C ATOM 1281 CD GLU A 87 0.777 -8.677 10.220 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.890 -8.504 11.422 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.078 -8.144 9.532 1.00 0.00 O ATOM 0 H GLU A 87 4.197 -8.292 6.954 1.00 0.00 H new ATOM 0 HA GLU A 87 2.502 -7.610 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.913 -9.878 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.355 -8.866 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.544 -9.686 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.670 -10.626 9.943 1.00 0.00 H new ATOM 1290 N LYS A 88 3.981 -5.518 9.100 1.00 0.00 N ATOM 1291 CA LYS A 88 4.354 -4.280 9.841 1.00 0.00 C ATOM 1292 C LYS A 88 4.005 -3.068 8.976 1.00 0.00 C ATOM 1293 O LYS A 88 3.447 -3.203 7.909 1.00 0.00 O ATOM 1294 CB LYS A 88 5.856 -4.286 10.130 1.00 0.00 C ATOM 1295 CG LYS A 88 6.606 -4.769 8.891 1.00 0.00 C ATOM 1296 CD LYS A 88 8.108 -4.522 9.065 1.00 0.00 C ATOM 1297 CE LYS A 88 8.645 -5.367 10.228 1.00 0.00 C ATOM 1298 NZ LYS A 88 8.605 -4.565 11.482 1.00 0.00 N ATOM 0 H LYS A 88 3.868 -5.399 8.093 1.00 0.00 H new ATOM 0 HA LYS A 88 3.810 -4.234 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.189 -3.285 10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.072 -4.937 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.419 -5.831 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.242 -4.245 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.636 -4.776 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.292 -3.465 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.046 -6.271 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.666 -5.685 10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.571 -4.445 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.191 -3.632 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.025 -5.058 12.191 1.00 0.00 H new ATOM 1312 N GLU A 89 4.334 -1.888 9.426 1.00 0.00 N ATOM 1313 CA GLU A 89 4.026 -0.660 8.631 1.00 0.00 C ATOM 1314 C GLU A 89 5.340 -0.054 8.137 1.00 0.00 C ATOM 1315 O GLU A 89 6.338 -0.084 8.831 1.00 0.00 O ATOM 1316 CB GLU A 89 3.288 0.345 9.532 1.00 0.00 C ATOM 1317 CG GLU A 89 1.994 0.817 8.855 1.00 0.00 C ATOM 1318 CD GLU A 89 1.021 1.331 9.919 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -0.174 1.179 9.725 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.488 1.870 10.910 1.00 0.00 O ATOM 0 H GLU A 89 4.805 -1.719 10.315 1.00 0.00 H new ATOM 0 HA GLU A 89 3.396 -0.906 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.057 -0.118 10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.932 1.200 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.214 1.606 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.541 -0.004 8.299 1.00 0.00 H new ATOM 1327 N VAL A 90 5.369 0.490 6.944 1.00 0.00 N ATOM 1328 CA VAL A 90 6.650 1.075 6.449 1.00 0.00 C ATOM 1329 C VAL A 90 6.367 2.260 5.520 1.00 0.00 C ATOM 1330 O VAL A 90 5.405 2.282 4.791 1.00 0.00 O ATOM 1331 CB VAL A 90 7.447 -0.010 5.697 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.503 -0.612 6.628 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.496 -1.119 5.234 1.00 0.00 C ATOM 0 H VAL A 90 4.577 0.553 6.304 1.00 0.00 H new ATOM 0 HA VAL A 90 7.235 1.433 7.296 1.00 0.00 H new ATOM 0 HB VAL A 90 7.935 0.440 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.065 -1.378 6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.184 0.171 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.013 -1.058 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.061 -1.885 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.007 -1.564 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.742 -0.698 4.569 1.00 0.00 H new ATOM 1343 N PHE A 91 7.216 3.244 5.546 1.00 0.00 N ATOM 1344 CA PHE A 91 7.030 4.436 4.669 1.00 0.00 C ATOM 1345 C PHE A 91 7.991 4.339 3.501 1.00 0.00 C ATOM 1346 O PHE A 91 8.899 3.531 3.499 1.00 0.00 O ATOM 1347 CB PHE A 91 7.381 5.713 5.426 1.00 0.00 C ATOM 1348 CG PHE A 91 6.445 5.898 6.597 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.494 6.925 6.579 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.530 5.042 7.702 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.627 7.098 7.664 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.663 5.215 8.789 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.712 6.242 8.770 1.00 0.00 C ATOM 0 H PHE A 91 8.042 3.277 6.144 1.00 0.00 H new ATOM 0 HA PHE A 91 5.991 4.463 4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.411 5.664 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.313 6.571 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.429 7.585 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.263 4.249 7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.893 7.890 7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.728 4.556 9.642 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.044 6.375 9.608 1.00 0.00 H new ATOM 1363 N LEU A 92 7.827 5.175 2.518 1.00 0.00 N ATOM 1364 CA LEU A 92 8.767 5.144 1.380 1.00 0.00 C ATOM 1365 C LEU A 92 10.183 5.103 1.954 1.00 0.00 C ATOM 1366 O LEU A 92 10.458 5.679 2.988 1.00 0.00 O ATOM 1367 CB LEU A 92 8.580 6.401 0.526 1.00 0.00 C ATOM 1368 CG LEU A 92 7.298 6.266 -0.310 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.691 7.651 -0.556 1.00 0.00 C ATOM 1370 CD2 LEU A 92 7.629 5.610 -1.655 1.00 0.00 C ATOM 0 H LEU A 92 7.086 5.873 2.457 1.00 0.00 H new ATOM 0 HA LEU A 92 8.588 4.272 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.519 7.282 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.441 6.541 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 92 6.581 5.648 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.782 7.550 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.451 8.118 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.408 8.272 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.719 5.515 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.349 6.226 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.055 4.622 -1.483 1.00 0.00 H new ATOM 1382 N GLU A 93 11.067 4.411 1.311 1.00 0.00 N ATOM 1383 CA GLU A 93 12.466 4.305 1.819 1.00 0.00 C ATOM 1384 C GLU A 93 13.027 5.695 2.154 1.00 0.00 C ATOM 1385 O GLU A 93 14.168 5.828 2.547 1.00 0.00 O ATOM 1386 CB GLU A 93 13.338 3.635 0.754 1.00 0.00 C ATOM 1387 CG GLU A 93 13.066 4.266 -0.623 1.00 0.00 C ATOM 1388 CD GLU A 93 12.792 3.166 -1.653 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.665 2.701 -1.709 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.713 2.808 -2.368 1.00 0.00 O ATOM 0 H GLU A 93 10.886 3.905 0.444 1.00 0.00 H new ATOM 0 HA GLU A 93 12.469 3.706 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.391 3.746 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.129 2.566 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.212 4.940 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.922 4.864 -0.935 1.00 0.00 H new ATOM 1397 N GLN A 94 12.236 6.727 2.011 1.00 0.00 N ATOM 1398 CA GLN A 94 12.721 8.103 2.333 1.00 0.00 C ATOM 1399 C GLN A 94 13.898 8.487 1.428 1.00 0.00 C ATOM 1400 O GLN A 94 14.165 9.653 1.216 1.00 0.00 O ATOM 1401 CB GLN A 94 13.170 8.162 3.795 1.00 0.00 C ATOM 1402 CG GLN A 94 12.147 7.437 4.673 1.00 0.00 C ATOM 1403 CD GLN A 94 12.412 7.768 6.143 1.00 0.00 C ATOM 1404 OE1 GLN A 94 12.099 8.849 6.600 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.980 6.876 6.908 1.00 0.00 N ATOM 0 H GLN A 94 11.271 6.676 1.684 1.00 0.00 H new ATOM 0 HA GLN A 94 11.904 8.805 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.151 7.700 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.269 9.199 4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.136 7.739 4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.213 6.361 4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.243 5.968 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.161 7.087 7.889 1.00 0.00 H new ATOM 1414 N ARG A 95 14.607 7.528 0.893 1.00 0.00 N ATOM 1415 CA ARG A 95 15.763 7.864 0.011 1.00 0.00 C ATOM 1416 C ARG A 95 15.343 8.958 -0.972 1.00 0.00 C ATOM 1417 O ARG A 95 16.129 9.800 -1.359 1.00 0.00 O ATOM 1418 CB ARG A 95 16.211 6.600 -0.747 1.00 0.00 C ATOM 1419 CG ARG A 95 15.503 6.492 -2.109 1.00 0.00 C ATOM 1420 CD ARG A 95 16.190 7.394 -3.150 1.00 0.00 C ATOM 1421 NE ARG A 95 16.800 6.546 -4.214 1.00 0.00 N ATOM 1422 CZ ARG A 95 18.017 6.089 -4.074 1.00 0.00 C ATOM 1423 NH1 ARG A 95 18.543 5.344 -5.009 1.00 0.00 N ATOM 1424 NH2 ARG A 95 18.708 6.375 -3.004 1.00 0.00 N ATOM 0 H ARG A 95 14.437 6.531 1.028 1.00 0.00 H new ATOM 0 HA ARG A 95 16.598 8.228 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.291 6.625 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.992 5.716 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.517 5.457 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.457 6.779 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.465 8.080 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.957 8.003 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 95 16.266 6.322 -5.054 1.00 0.00 H new ATOM 0 HH11 ARG A 95 18.005 5.120 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 95 19.492 4.986 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 95 18.299 6.957 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.657 6.016 -2.899 1.00 0.00 H new ATOM 1438 N LEU A 96 14.103 8.948 -1.374 1.00 0.00 N ATOM 1439 CA LEU A 96 13.614 9.981 -2.330 1.00 0.00 C ATOM 1440 C LEU A 96 13.018 11.151 -1.551 1.00 0.00 C ATOM 1441 O LEU A 96 13.507 12.262 -1.604 1.00 0.00 O ATOM 1442 CB LEU A 96 12.540 9.371 -3.242 1.00 0.00 C ATOM 1443 CG LEU A 96 11.513 8.567 -2.416 1.00 0.00 C ATOM 1444 CD1 LEU A 96 10.146 9.259 -2.464 1.00 0.00 C ATOM 1445 CD2 LEU A 96 11.377 7.157 -2.998 1.00 0.00 C ATOM 0 H LEU A 96 13.404 8.266 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 96 14.446 10.335 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.031 10.162 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.009 8.720 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 96 11.857 8.511 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.427 8.685 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.232 10.264 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.806 9.321 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.652 6.591 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.039 7.221 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.343 6.654 -2.963 1.00 0.00 H new ATOM 1457 N ALA A 97 11.965 10.906 -0.829 1.00 0.00 N ATOM 1458 CA ALA A 97 11.325 11.997 -0.038 1.00 0.00 C ATOM 1459 C ALA A 97 10.770 13.058 -0.990 1.00 0.00 C ATOM 1460 O ALA A 97 11.490 13.908 -1.475 1.00 0.00 O ATOM 1461 CB ALA A 97 12.363 12.631 0.893 1.00 0.00 C ATOM 0 H ALA A 97 11.515 9.994 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 97 10.511 11.585 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.895 13.428 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.754 11.873 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.179 13.044 0.300 1.00 0.00 H new ATOM 1467 N ALA A 98 9.494 13.016 -1.261 1.00 0.00 N ATOM 1468 CA ALA A 98 8.895 14.024 -2.180 1.00 0.00 C ATOM 1469 C ALA A 98 9.307 15.429 -1.729 1.00 0.00 C ATOM 1470 O ALA A 98 9.474 15.681 -0.551 1.00 0.00 O ATOM 1471 CB ALA A 98 7.370 13.902 -2.137 1.00 0.00 C ATOM 0 H ALA A 98 8.841 12.328 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 98 9.247 13.850 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.927 14.638 -2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.076 12.901 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.019 14.080 -1.121 1.00 0.00 H new ATOM 1477 N PRO A 99 9.472 16.341 -2.655 1.00 0.00 N ATOM 1478 CA PRO A 99 9.873 17.744 -2.335 1.00 0.00 C ATOM 1479 C PRO A 99 8.757 18.513 -1.620 1.00 0.00 C ATOM 1480 O PRO A 99 7.802 17.880 -1.202 1.00 0.00 O ATOM 1481 CB PRO A 99 10.163 18.364 -3.708 1.00 0.00 C ATOM 1482 CG PRO A 99 9.367 17.554 -4.678 1.00 0.00 C ATOM 1483 CD PRO A 99 9.297 16.140 -4.103 1.00 0.00 C ATOM 1484 OXT PRO A 99 8.878 19.722 -1.503 1.00 0.00 O ATOM 0 HA PRO A 99 10.726 17.779 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.869 19.413 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.227 18.324 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.368 17.972 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.839 17.551 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.343 15.663 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.078 15.501 -4.516 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.696 -6.946 3.266 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.952 -3.301 -0.053 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.887 -6.703 -4.872 1.00 0.00 ZN