USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 753 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 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 17 SER OG : rot 144:sc= -1.87! USER MOD Set 1.2: A 21 CYS SG : rot 166:sc= 2.55 USER MOD Set 1.3: A 24 CYS SG : rot 82:sc= 1.38 USER MOD Set 1.4: A 42 HIS :FLIP no HD1:sc= 0.196 F(o=1.2,f=2.2) USER MOD Set 1.5: A 45 CYS SG : rot -134:sc= 0.101! USER MOD Set 1.6: A 51 HIS : no HD1:sc=-0.00348 X(o=2.2,f=1.8) USER MOD Set 1.7: A 53 HIS : no HE2:sc= -0.19 K(o=2.2,f=0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0814 (180deg=-0.115) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 3 MET CE :methyl 160:sc= -0.0964 (180deg=-0.63) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 134:sc= 1.22 (180deg=0.408) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.906! C(o=-0.91!,f=-5.4!) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 46 CYS SG : rot 126:sc= -1.21 USER MOD Single : A 49 SER OG : rot 100:sc= 0.939 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.22) USER MOD Single : A 55 THR OG1 : rot 130:sc= -1.27 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 69 TYR OH : rot 14:sc= -2.28! USER MOD Single : A 79 TYR OH : rot 180:sc= -0.94 USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0585 (180deg=-0.383) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -158:sc= -0.218 (180deg=-1.2) USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 94 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0085) USER MOD Single : A 95 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.32) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.797 0.783 -1.604 1.00 0.00 N ATOM 2 CA MET A 1 3.982 -0.188 -0.837 1.00 0.00 C ATOM 3 C MET A 1 3.658 -1.409 -1.689 1.00 0.00 C ATOM 4 O MET A 1 3.853 -1.400 -2.904 1.00 0.00 O ATOM 5 CB MET A 1 2.682 0.466 -0.355 1.00 0.00 C ATOM 6 CG MET A 1 1.760 0.900 -1.485 1.00 0.00 C ATOM 7 SD MET A 1 0.256 1.700 -0.896 1.00 0.00 S ATOM 8 CE MET A 1 -0.588 2.010 -2.446 1.00 0.00 C ATOM 0 H1 MET A 1 4.374 1.730 -1.526 1.00 0.00 H new ATOM 0 H2 MET A 1 5.764 0.804 -1.221 1.00 0.00 H new ATOM 0 H3 MET A 1 4.827 0.498 -2.604 1.00 0.00 H new ATOM 0 HA MET A 1 4.562 -0.507 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.149 -0.235 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.927 1.335 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.296 1.585 -2.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.492 0.029 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.540 2.503 -2.250 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.030 2.651 -3.075 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.768 1.065 -2.958 1.00 0.00 H new ATOM 20 N THR A 2 3.166 -2.459 -1.049 1.00 0.00 N ATOM 21 CA THR A 2 2.762 -3.663 -1.752 1.00 0.00 C ATOM 22 C THR A 2 1.450 -4.198 -1.172 1.00 0.00 C ATOM 23 O THR A 2 0.862 -3.582 -0.274 1.00 0.00 O ATOM 24 CB THR A 2 3.871 -4.744 -1.681 1.00 0.00 C ATOM 25 OG1 THR A 2 3.535 -5.876 -2.499 1.00 0.00 O ATOM 26 CG2 THR A 2 4.099 -5.204 -0.250 1.00 0.00 C ATOM 0 H THR A 2 3.037 -2.499 -0.038 1.00 0.00 H new ATOM 0 HA THR A 2 2.604 -3.412 -2.801 1.00 0.00 H new ATOM 0 HB THR A 2 4.789 -4.292 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.249 -6.545 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.882 -5.962 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.402 -4.354 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.176 -5.626 0.148 1.00 0.00 H new ATOM 34 N MET A 3 0.986 -5.322 -1.706 1.00 0.00 N ATOM 35 CA MET A 3 -0.239 -5.960 -1.241 1.00 0.00 C ATOM 36 C MET A 3 -0.088 -6.420 0.205 1.00 0.00 C ATOM 37 O MET A 3 0.977 -6.900 0.601 1.00 0.00 O ATOM 38 CB MET A 3 -0.571 -7.158 -2.135 1.00 0.00 C ATOM 39 CG MET A 3 -1.882 -7.846 -1.788 1.00 0.00 C ATOM 40 SD MET A 3 -2.202 -9.297 -2.812 1.00 0.00 S ATOM 41 CE MET A 3 -0.874 -10.379 -2.285 1.00 0.00 C ATOM 0 H MET A 3 1.447 -5.815 -2.471 1.00 0.00 H new ATOM 0 HA MET A 3 -1.051 -5.234 -1.292 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.611 -6.824 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.238 -7.885 -2.066 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.865 -8.143 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.701 -7.137 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.122 -11.410 -2.538 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.049 -10.094 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.741 -10.293 -1.207 1.00 0.00 H new ATOM 51 N GLY A 4 -1.148 -6.263 0.985 1.00 0.00 N ATOM 52 CA GLY A 4 -1.125 -6.699 2.367 1.00 0.00 C ATOM 53 C GLY A 4 -1.071 -8.208 2.490 1.00 0.00 C ATOM 54 O GLY A 4 -1.491 -8.928 1.581 1.00 0.00 O ATOM 0 H GLY A 4 -2.026 -5.840 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.261 -6.264 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.012 -6.326 2.879 1.00 0.00 H new ATOM 58 N CYS A 5 -0.560 -8.694 3.610 1.00 0.00 N ATOM 59 CA CYS A 5 -0.451 -10.128 3.827 1.00 0.00 C ATOM 60 C CYS A 5 -1.413 -10.560 4.926 1.00 0.00 C ATOM 61 O CYS A 5 -1.788 -9.745 5.764 1.00 0.00 O ATOM 62 CB CYS A 5 0.988 -10.512 4.180 1.00 0.00 C ATOM 63 SG CYS A 5 1.556 -9.930 5.810 1.00 0.00 S ATOM 0 H CYS A 5 -0.216 -8.120 4.380 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.719 -10.646 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.078 -11.598 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.654 -10.113 3.415 1.00 0.00 H new ATOM 68 N ARG A 6 -1.789 -11.842 4.929 1.00 0.00 N ATOM 69 CA ARG A 6 -2.806 -12.370 5.849 1.00 0.00 C ATOM 70 C ARG A 6 -2.476 -12.069 7.314 1.00 0.00 C ATOM 71 O ARG A 6 -3.363 -12.058 8.166 1.00 0.00 O ATOM 72 CB ARG A 6 -2.967 -13.882 5.650 1.00 0.00 C ATOM 73 CG ARG A 6 -1.766 -14.698 6.102 1.00 0.00 C ATOM 74 CD ARG A 6 -1.854 -16.136 5.621 1.00 0.00 C ATOM 75 NE ARG A 6 -0.786 -16.967 6.172 1.00 0.00 N ATOM 76 CZ ARG A 6 -0.150 -17.916 5.484 1.00 0.00 C ATOM 77 NH1 ARG A 6 -0.420 -18.112 4.197 1.00 0.00 N ATOM 78 NH2 ARG A 6 0.774 -18.658 6.080 1.00 0.00 N ATOM 0 H ARG A 6 -1.400 -12.542 4.297 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.744 -11.867 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.848 -14.218 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.152 -14.081 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.852 -14.242 5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.702 -14.681 7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.820 -16.554 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.804 -16.157 4.532 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.510 -16.812 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.118 -17.534 3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.071 -18.840 3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.997 -18.502 7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.261 -19.384 5.555 1.00 0.00 H new ATOM 92 N HIS A 7 -1.201 -11.819 7.597 1.00 0.00 N ATOM 93 CA HIS A 7 -0.757 -11.455 8.942 1.00 0.00 C ATOM 94 C HIS A 7 -1.451 -10.182 9.441 1.00 0.00 C ATOM 95 O HIS A 7 -1.549 -9.956 10.648 1.00 0.00 O ATOM 96 CB HIS A 7 0.766 -11.289 8.980 1.00 0.00 C ATOM 97 CG HIS A 7 1.509 -12.569 8.748 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.605 -12.635 7.921 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.268 -13.803 9.256 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.999 -13.895 7.940 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.220 -14.641 8.736 1.00 0.00 N ATOM 0 H HIS A 7 -0.450 -11.862 6.908 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.037 -12.267 9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.064 -10.562 8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.056 -10.879 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.477 -14.074 9.940 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.843 -14.277 7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.317 -15.640 8.919 1.00 0.00 H new ATOM 109 N VAL A 8 -1.916 -9.348 8.509 1.00 0.00 N ATOM 110 CA VAL A 8 -2.644 -8.124 8.852 1.00 0.00 C ATOM 111 C VAL A 8 -3.908 -8.444 9.662 1.00 0.00 C ATOM 112 O VAL A 8 -4.377 -7.627 10.448 1.00 0.00 O ATOM 113 CB VAL A 8 -3.011 -7.293 7.594 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.014 -8.022 6.731 1.00 0.00 C ATOM 115 CG2 VAL A 8 -3.545 -5.917 7.967 1.00 0.00 C ATOM 0 H VAL A 8 -1.801 -9.499 7.507 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.976 -7.520 9.466 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.093 -7.158 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.252 -7.415 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.592 -8.974 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.923 -8.204 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.791 -5.364 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.440 -6.028 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.786 -5.372 8.529 1.00 0.00 H new ATOM 125 N ALA A 9 -4.460 -9.636 9.461 1.00 0.00 N ATOM 126 CA ALA A 9 -5.648 -10.061 10.194 1.00 0.00 C ATOM 127 C ALA A 9 -5.332 -10.323 11.669 1.00 0.00 C ATOM 128 O ALA A 9 -6.237 -10.507 12.486 1.00 0.00 O ATOM 129 CB ALA A 9 -6.248 -11.301 9.554 1.00 0.00 C ATOM 0 H ALA A 9 -4.105 -10.324 8.798 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.376 -9.251 10.148 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.133 -11.606 10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.526 -11.080 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.515 -12.108 9.567 1.00 0.00 H new ATOM 135 N GLY A 10 -4.046 -10.353 12.003 1.00 0.00 N ATOM 136 CA GLY A 10 -3.638 -10.539 13.382 1.00 0.00 C ATOM 137 C GLY A 10 -3.356 -9.219 14.072 1.00 0.00 C ATOM 138 O GLY A 10 -3.563 -9.078 15.278 1.00 0.00 O ATOM 0 H GLY A 10 -3.277 -10.251 11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.420 -11.071 13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.745 -11.164 13.415 1.00 0.00 H new ATOM 142 N ILE A 11 -2.901 -8.245 13.300 1.00 0.00 N ATOM 143 CA ILE A 11 -2.564 -6.932 13.835 1.00 0.00 C ATOM 144 C ILE A 11 -3.808 -6.063 13.953 1.00 0.00 C ATOM 145 O ILE A 11 -4.748 -6.189 13.168 1.00 0.00 O ATOM 146 CB ILE A 11 -1.527 -6.214 12.951 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.046 -6.137 11.514 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.188 -6.935 13.023 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.075 -5.555 10.516 1.00 0.00 C ATOM 0 H ILE A 11 -2.755 -8.338 12.295 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.134 -7.088 14.824 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.375 -5.198 13.315 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.321 -7.140 11.189 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.957 -5.538 11.504 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.537 -6.419 12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.166 -6.943 14.054 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.307 -7.960 12.672 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.533 -5.542 9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.818 -4.537 10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.172 -6.164 10.489 1.00 0.00 H new ATOM 161 N ARG A 12 -3.821 -5.199 14.949 1.00 0.00 N ATOM 162 CA ARG A 12 -4.952 -4.315 15.170 1.00 0.00 C ATOM 163 C ARG A 12 -4.470 -2.899 15.443 1.00 0.00 C ATOM 164 O ARG A 12 -3.267 -2.630 15.412 1.00 0.00 O ATOM 165 CB ARG A 12 -5.838 -4.825 16.322 1.00 0.00 C ATOM 166 CG ARG A 12 -5.205 -4.788 17.711 1.00 0.00 C ATOM 167 CD ARG A 12 -4.066 -5.787 17.870 1.00 0.00 C ATOM 168 NE ARG A 12 -4.414 -7.128 17.389 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.987 -8.074 18.134 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.365 -7.823 19.381 1.00 0.00 N ATOM 171 NH2 ARG A 12 -5.197 -9.276 17.622 1.00 0.00 N ATOM 0 H ARG A 12 -3.061 -5.089 15.620 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.559 -4.305 14.265 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.752 -4.231 16.343 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.131 -5.852 16.104 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.831 -3.783 17.907 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.970 -4.995 18.459 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.194 -5.426 17.325 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.784 -5.845 18.921 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.203 -7.353 16.417 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.219 -6.896 19.782 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.802 -8.557 19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.921 -9.476 16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.635 -10.002 18.189 1.00 0.00 H new ATOM 185 N THR A 13 -5.403 -1.992 15.676 1.00 0.00 N ATOM 186 CA THR A 13 -5.059 -0.642 16.078 1.00 0.00 C ATOM 187 C THR A 13 -4.640 -0.644 17.541 1.00 0.00 C ATOM 188 O THR A 13 -5.466 -0.822 18.436 1.00 0.00 O ATOM 189 CB THR A 13 -6.240 0.319 15.867 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.760 0.148 14.542 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.806 1.765 16.065 1.00 0.00 C ATOM 0 H THR A 13 -6.404 -2.167 15.593 1.00 0.00 H new ATOM 0 HA THR A 13 -4.232 -0.294 15.459 1.00 0.00 H new ATOM 0 HB THR A 13 -7.012 0.090 16.601 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.514 0.758 14.405 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.659 2.425 15.910 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.425 1.895 17.078 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.022 2.011 15.349 1.00 0.00 H new ATOM 199 N VAL A 14 -3.351 -0.477 17.772 1.00 0.00 N ATOM 200 CA VAL A 14 -2.794 -0.616 19.106 1.00 0.00 C ATOM 201 C VAL A 14 -2.538 0.737 19.753 1.00 0.00 C ATOM 202 O VAL A 14 -2.469 1.763 19.075 1.00 0.00 O ATOM 203 CB VAL A 14 -1.482 -1.429 19.079 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.764 -2.878 18.713 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.487 -0.813 18.104 1.00 0.00 C ATOM 0 H VAL A 14 -2.668 -0.244 17.051 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.534 -1.150 19.702 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.041 -1.404 20.075 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.829 -3.438 18.698 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.437 -3.315 19.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.228 -2.921 17.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.431 -1.401 18.100 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.917 -0.805 17.102 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.262 0.208 18.411 1.00 0.00 H new ATOM 215 N THR A 15 -2.415 0.726 21.068 1.00 0.00 N ATOM 216 CA THR A 15 -2.105 1.925 21.819 1.00 0.00 C ATOM 217 C THR A 15 -0.608 2.000 22.097 1.00 0.00 C ATOM 218 O THR A 15 -0.026 1.051 22.624 1.00 0.00 O ATOM 219 CB THR A 15 -2.868 1.943 23.157 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.268 1.747 22.920 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.651 3.255 23.899 1.00 0.00 C ATOM 0 H THR A 15 -2.527 -0.110 21.641 1.00 0.00 H new ATOM 0 HA THR A 15 -2.411 2.784 21.222 1.00 0.00 H new ATOM 0 HB THR A 15 -2.483 1.134 23.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.749 1.757 23.774 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.202 3.237 24.839 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.588 3.386 24.104 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.007 4.083 23.286 1.00 0.00 H new ATOM 229 N PRO A 16 0.038 3.114 21.721 1.00 0.00 N ATOM 230 CA PRO A 16 1.451 3.339 22.019 1.00 0.00 C ATOM 231 C PRO A 16 1.712 3.347 23.523 1.00 0.00 C ATOM 232 O PRO A 16 1.240 4.227 24.243 1.00 0.00 O ATOM 233 CB PRO A 16 1.747 4.714 21.407 1.00 0.00 C ATOM 234 CG PRO A 16 0.414 5.351 21.201 1.00 0.00 C ATOM 235 CD PRO A 16 -0.556 4.230 20.969 1.00 0.00 C ATOM 0 HA PRO A 16 2.087 2.551 21.616 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.371 5.313 22.070 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.286 4.617 20.465 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.126 5.941 22.071 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.435 6.030 20.349 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.553 4.477 21.335 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.654 3.995 19.909 1.00 0.00 H new ATOM 243 N SER A 17 2.452 2.349 23.988 1.00 0.00 N ATOM 244 CA SER A 17 2.755 2.202 25.406 1.00 0.00 C ATOM 245 C SER A 17 3.825 3.194 25.859 1.00 0.00 C ATOM 246 O SER A 17 4.078 3.351 27.054 1.00 0.00 O ATOM 247 CB SER A 17 3.200 0.765 25.679 1.00 0.00 C ATOM 248 OG SER A 17 3.972 0.262 24.598 1.00 0.00 O ATOM 0 H SER A 17 2.857 1.623 23.397 1.00 0.00 H new ATOM 0 HA SER A 17 1.854 2.420 25.979 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.786 0.729 26.598 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.326 0.132 25.833 1.00 0.00 H new ATOM 0 HG SER A 17 4.684 -0.315 24.945 1.00 0.00 H new ATOM 254 N ALA A 18 4.441 3.864 24.896 1.00 0.00 N ATOM 255 CA ALA A 18 5.473 4.845 25.180 1.00 0.00 C ATOM 256 C ALA A 18 5.576 5.837 24.034 1.00 0.00 C ATOM 257 O ALA A 18 5.238 5.509 22.895 1.00 0.00 O ATOM 258 CB ALA A 18 6.812 4.158 25.405 1.00 0.00 C ATOM 0 H ALA A 18 4.240 3.743 23.903 1.00 0.00 H new ATOM 0 HA ALA A 18 5.204 5.383 26.089 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.575 4.908 25.617 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.732 3.473 26.249 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.090 3.600 24.511 1.00 0.00 H new ATOM 264 N LEU A 19 6.015 7.050 24.339 1.00 0.00 N ATOM 265 CA LEU A 19 6.247 8.055 23.310 1.00 0.00 C ATOM 266 C LEU A 19 7.567 7.775 22.610 1.00 0.00 C ATOM 267 O LEU A 19 7.656 7.794 21.386 1.00 0.00 O ATOM 268 CB LEU A 19 6.260 9.471 23.905 1.00 0.00 C ATOM 269 CG LEU A 19 4.886 10.094 24.187 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.032 10.092 22.929 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.175 9.371 25.321 1.00 0.00 C ATOM 0 H LEU A 19 6.218 7.362 25.289 1.00 0.00 H new ATOM 0 HA LEU A 19 5.431 8.001 22.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.824 9.447 24.837 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.801 10.126 23.222 1.00 0.00 H new ATOM 0 HG LEU A 19 5.043 11.127 24.498 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.061 10.537 23.147 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.530 10.670 22.151 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.892 9.067 22.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.205 9.836 25.497 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.033 8.324 25.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.777 9.435 26.227 1.00 0.00 H new ATOM 283 N GLY A 20 8.589 7.509 23.404 1.00 0.00 N ATOM 284 CA GLY A 20 9.885 7.183 22.859 1.00 0.00 C ATOM 285 C GLY A 20 10.218 5.720 23.048 1.00 0.00 C ATOM 286 O GLY A 20 9.343 4.911 23.356 1.00 0.00 O ATOM 0 H GLY A 20 8.543 7.513 24.423 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.905 7.427 21.797 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.647 7.795 23.341 1.00 0.00 H new ATOM 290 N CYS A 21 11.481 5.373 22.868 1.00 0.00 N ATOM 291 CA CYS A 21 11.918 4.003 23.062 1.00 0.00 C ATOM 292 C CYS A 21 12.068 3.703 24.547 1.00 0.00 C ATOM 293 O CYS A 21 13.076 4.069 25.163 1.00 0.00 O ATOM 294 CB CYS A 21 13.244 3.754 22.339 1.00 0.00 C ATOM 295 SG CYS A 21 13.889 2.071 22.520 1.00 0.00 S ATOM 0 H CYS A 21 12.219 6.019 22.589 1.00 0.00 H new ATOM 0 HA CYS A 21 11.163 3.338 22.642 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.111 3.967 21.278 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.987 4.457 22.715 1.00 0.00 H new ATOM 0 HG CYS A 21 14.835 1.873 21.651 1.00 0.00 H new ATOM 301 N GLU A 22 11.050 3.068 25.124 1.00 0.00 N ATOM 302 CA GLU A 22 11.109 2.651 26.517 1.00 0.00 C ATOM 303 C GLU A 22 12.169 1.571 26.674 1.00 0.00 C ATOM 304 O GLU A 22 11.900 0.382 26.493 1.00 0.00 O ATOM 305 CB GLU A 22 9.754 2.142 27.005 1.00 0.00 C ATOM 306 CG GLU A 22 9.726 1.861 28.498 1.00 0.00 C ATOM 307 CD GLU A 22 9.888 3.116 29.333 1.00 0.00 C ATOM 308 OE1 GLU A 22 11.028 3.615 29.470 1.00 0.00 O ATOM 309 OE2 GLU A 22 8.870 3.608 29.862 1.00 0.00 O ATOM 0 H GLU A 22 10.179 2.833 24.648 1.00 0.00 H new ATOM 0 HA GLU A 22 11.373 3.515 27.127 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.988 2.879 26.766 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.499 1.230 26.465 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.783 1.378 28.755 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.522 1.159 28.746 1.00 0.00 H new ATOM 316 N GLU A 23 13.376 2.028 26.968 1.00 0.00 N ATOM 317 CA GLU A 23 14.569 1.197 27.031 1.00 0.00 C ATOM 318 C GLU A 23 15.770 2.127 27.072 1.00 0.00 C ATOM 319 O GLU A 23 16.471 2.224 28.071 1.00 0.00 O ATOM 320 CB GLU A 23 14.668 0.279 25.805 1.00 0.00 C ATOM 321 CG GLU A 23 15.825 -0.702 25.854 1.00 0.00 C ATOM 322 CD GLU A 23 15.738 -1.653 27.027 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.008 -2.660 26.932 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.417 -1.411 28.043 1.00 0.00 O ATOM 0 H GLU A 23 13.558 3.010 27.174 1.00 0.00 H new ATOM 0 HA GLU A 23 14.531 0.562 27.916 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.737 -0.279 25.707 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.766 0.895 24.911 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.848 -1.276 24.928 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.762 -0.149 25.910 1.00 0.00 H new ATOM 331 N CYS A 24 15.962 2.852 25.981 1.00 0.00 N ATOM 332 CA CYS A 24 17.013 3.853 25.894 1.00 0.00 C ATOM 333 C CYS A 24 16.718 5.015 26.842 1.00 0.00 C ATOM 334 O CYS A 24 17.631 5.664 27.353 1.00 0.00 O ATOM 335 CB CYS A 24 17.129 4.360 24.455 1.00 0.00 C ATOM 336 SG CYS A 24 17.316 3.045 23.225 1.00 0.00 S ATOM 0 H CYS A 24 15.397 2.764 25.136 1.00 0.00 H new ATOM 0 HA CYS A 24 17.959 3.399 26.187 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.242 4.945 24.214 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.984 5.033 24.385 1.00 0.00 H new ATOM 0 HG CYS A 24 16.148 2.557 22.930 1.00 0.00 H new ATOM 342 N LEU A 25 15.430 5.256 27.080 1.00 0.00 N ATOM 343 CA LEU A 25 14.984 6.350 27.943 1.00 0.00 C ATOM 344 C LEU A 25 15.423 6.168 29.398 1.00 0.00 C ATOM 345 O LEU A 25 15.415 7.127 30.169 1.00 0.00 O ATOM 346 CB LEU A 25 13.460 6.480 27.887 1.00 0.00 C ATOM 347 CG LEU A 25 12.890 6.955 26.549 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.370 6.950 26.588 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.407 8.346 26.215 1.00 0.00 C ATOM 0 H LEU A 25 14.670 4.703 26.683 1.00 0.00 H new ATOM 0 HA LEU A 25 15.454 7.259 27.566 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.021 5.512 28.126 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.143 7.175 28.665 1.00 0.00 H new ATOM 0 HG LEU A 25 13.219 6.267 25.770 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.980 7.290 25.629 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.014 5.939 26.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.024 7.617 27.378 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.992 8.669 25.260 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.105 9.044 26.996 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.495 8.324 26.149 1.00 0.00 H new ATOM 361 N LYS A 26 15.804 4.949 29.781 1.00 0.00 N ATOM 362 CA LYS A 26 16.210 4.692 31.163 1.00 0.00 C ATOM 363 C LYS A 26 17.595 5.265 31.426 1.00 0.00 C ATOM 364 O LYS A 26 17.937 5.590 32.561 1.00 0.00 O ATOM 365 CB LYS A 26 16.218 3.193 31.475 1.00 0.00 C ATOM 366 CG LYS A 26 17.384 2.446 30.846 1.00 0.00 C ATOM 367 CD LYS A 26 17.295 0.951 31.079 1.00 0.00 C ATOM 368 CE LYS A 26 15.932 0.424 30.684 1.00 0.00 C ATOM 369 NZ LYS A 26 15.898 -1.061 30.630 1.00 0.00 N ATOM 0 H LYS A 26 15.840 4.136 29.166 1.00 0.00 H new ATOM 0 HA LYS A 26 15.482 5.179 31.811 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.250 3.056 32.556 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.284 2.753 31.125 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.406 2.645 29.775 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.320 2.822 31.259 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.067 0.442 30.502 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.484 0.731 32.130 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.187 0.777 31.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.657 0.828 29.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.045 -1.407 31.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.882 -1.372 29.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.743 -1.445 31.100 1.00 0.00 H new ATOM 383 N ILE A 27 18.394 5.373 30.373 1.00 0.00 N ATOM 384 CA ILE A 27 19.746 5.878 30.512 1.00 0.00 C ATOM 385 C ILE A 27 19.896 7.248 29.859 1.00 0.00 C ATOM 386 O ILE A 27 20.816 8.002 30.177 1.00 0.00 O ATOM 387 CB ILE A 27 20.795 4.909 29.917 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.418 4.510 28.485 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.942 3.679 30.803 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.431 3.605 27.818 1.00 0.00 C ATOM 0 H ILE A 27 18.129 5.119 29.421 1.00 0.00 H new ATOM 0 HA ILE A 27 19.930 5.968 31.583 1.00 0.00 H new ATOM 0 HB ILE A 27 21.756 5.422 29.879 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.450 4.008 28.500 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.300 5.412 27.885 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.683 3.006 30.372 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.265 3.984 31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.983 3.165 30.874 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.096 3.366 26.809 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.395 4.111 27.770 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.532 2.685 28.394 1.00 0.00 H new ATOM 402 N GLY A 28 18.983 7.569 28.950 1.00 0.00 N ATOM 403 CA GLY A 28 19.050 8.835 28.244 1.00 0.00 C ATOM 404 C GLY A 28 19.711 8.696 26.888 1.00 0.00 C ATOM 405 O GLY A 28 20.328 9.635 26.388 1.00 0.00 O ATOM 0 H GLY A 28 18.196 6.974 28.689 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.043 9.233 28.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.604 9.556 28.845 1.00 0.00 H new ATOM 409 N SER A 29 19.578 7.519 26.293 1.00 0.00 N ATOM 410 CA SER A 29 20.181 7.237 25.000 1.00 0.00 C ATOM 411 C SER A 29 19.236 7.664 23.875 1.00 0.00 C ATOM 412 O SER A 29 18.014 7.549 24.008 1.00 0.00 O ATOM 413 CB SER A 29 20.505 5.740 24.897 1.00 0.00 C ATOM 414 OG SER A 29 21.228 5.435 23.716 1.00 0.00 O ATOM 0 H SER A 29 19.054 6.739 26.690 1.00 0.00 H new ATOM 0 HA SER A 29 21.107 7.803 24.902 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.085 5.434 25.767 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.578 5.166 24.914 1.00 0.00 H new ATOM 0 HG SER A 29 21.417 4.474 23.687 1.00 0.00 H new ATOM 420 N PRO A 30 19.785 8.192 22.769 1.00 0.00 N ATOM 421 CA PRO A 30 18.999 8.615 21.612 1.00 0.00 C ATOM 422 C PRO A 30 18.586 7.438 20.733 1.00 0.00 C ATOM 423 O PRO A 30 18.694 6.277 21.134 1.00 0.00 O ATOM 424 CB PRO A 30 19.952 9.543 20.837 1.00 0.00 C ATOM 425 CG PRO A 30 21.213 9.618 21.640 1.00 0.00 C ATOM 426 CD PRO A 30 21.213 8.427 22.551 1.00 0.00 C ATOM 0 HA PRO A 30 18.069 9.096 21.914 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.150 9.151 19.839 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.513 10.532 20.710 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.088 9.608 20.990 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.253 10.544 22.213 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.700 7.566 22.093 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.737 8.631 23.485 1.00 0.00 H new ATOM 434 N TRP A 31 18.111 7.746 19.535 1.00 0.00 N ATOM 435 CA TRP A 31 17.708 6.731 18.574 1.00 0.00 C ATOM 436 C TRP A 31 17.643 7.333 17.179 1.00 0.00 C ATOM 437 O TRP A 31 17.739 8.550 17.018 1.00 0.00 O ATOM 438 CB TRP A 31 16.346 6.126 18.948 1.00 0.00 C ATOM 439 CG TRP A 31 15.266 7.146 19.171 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.604 7.871 18.219 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.716 7.541 20.431 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.685 8.700 18.814 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.733 8.514 20.171 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.962 7.169 21.756 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.996 9.116 21.187 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.230 7.767 22.762 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.257 8.731 22.474 1.00 0.00 C ATOM 0 H TRP A 31 17.995 8.703 19.203 1.00 0.00 H new ATOM 0 HA TRP A 31 18.451 5.934 18.589 1.00 0.00 H new ATOM 0 HB2 TRP A 31 16.032 5.446 18.156 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.461 5.529 19.853 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.778 7.802 17.155 1.00 0.00 H new ATOM 0 HE1 TRP A 31 13.067 9.348 18.326 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.711 6.427 21.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.245 9.860 20.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.411 7.486 23.789 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.701 9.180 23.284 1.00 0.00 H new ATOM 458 N VAL A 32 17.486 6.483 16.178 1.00 0.00 N ATOM 459 CA VAL A 32 17.322 6.951 14.812 1.00 0.00 C ATOM 460 C VAL A 32 15.840 7.055 14.475 1.00 0.00 C ATOM 461 O VAL A 32 15.313 8.150 14.289 1.00 0.00 O ATOM 462 CB VAL A 32 18.029 6.028 13.797 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.882 6.567 12.379 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.497 5.867 14.159 1.00 0.00 C ATOM 0 H VAL A 32 17.469 5.469 16.285 1.00 0.00 H new ATOM 0 HA VAL A 32 17.786 7.935 14.741 1.00 0.00 H new ATOM 0 HB VAL A 32 17.553 5.048 13.837 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.388 5.900 11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.825 6.628 12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.328 7.560 12.319 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.981 5.213 13.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.983 6.843 14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.581 5.430 15.154 1.00 0.00 H new ATOM 474 N HIS A 33 15.160 5.916 14.418 1.00 0.00 N ATOM 475 CA HIS A 33 13.737 5.906 14.137 1.00 0.00 C ATOM 476 C HIS A 33 13.008 5.030 15.145 1.00 0.00 C ATOM 477 O HIS A 33 13.543 4.020 15.610 1.00 0.00 O ATOM 478 CB HIS A 33 13.457 5.411 12.709 1.00 0.00 C ATOM 479 CG HIS A 33 13.876 6.367 11.629 1.00 0.00 C ATOM 480 ND1 HIS A 33 14.714 6.018 10.589 1.00 0.00 N ATOM 481 CD2 HIS A 33 13.542 7.661 11.418 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.874 7.057 9.790 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.173 8.066 10.269 1.00 0.00 N ATOM 0 H HIS A 33 15.572 4.994 14.562 1.00 0.00 H new ATOM 0 HA HIS A 33 13.370 6.929 14.221 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.973 4.463 12.558 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.390 5.213 12.609 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.142 5.102 10.458 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.897 8.264 12.040 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.478 7.077 8.895 1.00 0.00 H new ATOM 492 N LEU A 34 11.807 5.441 15.503 1.00 0.00 N ATOM 493 CA LEU A 34 10.948 4.648 16.361 1.00 0.00 C ATOM 494 C LEU A 34 9.881 3.961 15.527 1.00 0.00 C ATOM 495 O LEU A 34 9.272 4.577 14.648 1.00 0.00 O ATOM 496 CB LEU A 34 10.279 5.524 17.422 1.00 0.00 C ATOM 497 CG LEU A 34 11.229 6.196 18.411 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.449 7.073 19.373 1.00 0.00 C ATOM 499 CD2 LEU A 34 12.034 5.152 19.170 1.00 0.00 C ATOM 0 H LEU A 34 11.401 6.329 15.209 1.00 0.00 H new ATOM 0 HA LEU A 34 11.562 3.900 16.863 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.700 6.298 16.918 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.573 4.911 17.982 1.00 0.00 H new ATOM 0 HG LEU A 34 11.925 6.825 17.855 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.137 7.547 20.073 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.915 7.841 18.814 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.734 6.462 19.924 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.706 5.649 19.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.356 4.498 19.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.618 4.560 18.465 1.00 0.00 H new ATOM 511 N ARG A 35 9.669 2.685 15.783 1.00 0.00 N ATOM 512 CA ARG A 35 8.621 1.947 15.107 1.00 0.00 C ATOM 513 C ARG A 35 7.736 1.270 16.140 1.00 0.00 C ATOM 514 O ARG A 35 8.230 0.704 17.117 1.00 0.00 O ATOM 515 CB ARG A 35 9.210 0.916 14.135 1.00 0.00 C ATOM 516 CG ARG A 35 10.139 1.518 13.086 1.00 0.00 C ATOM 517 CD ARG A 35 10.574 0.479 12.062 1.00 0.00 C ATOM 518 NE ARG A 35 11.766 0.889 11.313 1.00 0.00 N ATOM 519 CZ ARG A 35 12.186 0.302 10.189 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.438 -0.621 9.594 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.355 0.642 9.657 1.00 0.00 N ATOM 0 H ARG A 35 10.208 2.138 16.454 1.00 0.00 H new ATOM 0 HA ARG A 35 8.021 2.643 14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.758 0.166 14.705 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.394 0.399 13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.633 2.340 12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.018 1.938 13.575 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.775 -0.464 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.756 0.297 11.365 1.00 0.00 H new ATOM 0 HE ARG A 35 12.310 1.673 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.538 -0.885 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.764 -1.066 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.933 1.352 10.107 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.675 0.193 8.799 1.00 0.00 H new ATOM 535 N ILE A 36 6.435 1.348 15.932 1.00 0.00 N ATOM 536 CA ILE A 36 5.481 0.787 16.869 1.00 0.00 C ATOM 537 C ILE A 36 5.041 -0.592 16.410 1.00 0.00 C ATOM 538 O ILE A 36 4.713 -0.811 15.246 1.00 0.00 O ATOM 539 CB ILE A 36 4.251 1.708 17.067 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.278 1.082 18.073 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.554 1.988 15.740 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.111 1.974 18.432 1.00 0.00 C ATOM 0 H ILE A 36 6.014 1.797 15.119 1.00 0.00 H new ATOM 0 HA ILE A 36 5.981 0.701 17.834 1.00 0.00 H new ATOM 0 HB ILE A 36 4.598 2.662 17.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.896 0.148 17.661 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.823 0.830 18.982 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.695 2.637 15.910 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.250 2.479 15.060 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.218 1.049 15.300 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.468 1.462 19.148 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.482 2.898 18.875 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.540 2.206 17.533 1.00 0.00 H new ATOM 554 N CYS A 37 5.080 -1.522 17.333 1.00 0.00 N ATOM 555 CA CYS A 37 4.710 -2.894 17.064 1.00 0.00 C ATOM 556 C CYS A 37 3.190 -3.023 17.001 1.00 0.00 C ATOM 557 O CYS A 37 2.513 -2.882 18.019 1.00 0.00 O ATOM 558 CB CYS A 37 5.285 -3.758 18.173 1.00 0.00 C ATOM 559 SG CYS A 37 5.055 -5.541 17.981 1.00 0.00 S ATOM 0 H CYS A 37 5.370 -1.350 18.296 1.00 0.00 H new ATOM 0 HA CYS A 37 5.107 -3.219 16.102 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.353 -3.555 18.249 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.834 -3.452 19.117 1.00 0.00 H new ATOM 564 N ARG A 38 2.665 -3.316 15.812 1.00 0.00 N ATOM 565 CA ARG A 38 1.219 -3.289 15.565 1.00 0.00 C ATOM 566 C ARG A 38 0.483 -4.451 16.232 1.00 0.00 C ATOM 567 O ARG A 38 -0.729 -4.595 16.070 1.00 0.00 O ATOM 568 CB ARG A 38 0.934 -3.314 14.061 1.00 0.00 C ATOM 569 CG ARG A 38 1.319 -2.036 13.331 1.00 0.00 C ATOM 570 CD ARG A 38 0.535 -0.835 13.840 1.00 0.00 C ATOM 571 NE ARG A 38 -0.909 -1.074 13.836 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.804 -0.204 13.371 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.418 0.948 12.844 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.097 -0.488 13.432 1.00 0.00 N ATOM 0 H ARG A 38 3.222 -3.577 14.998 1.00 0.00 H new ATOM 0 HA ARG A 38 0.849 -2.363 16.005 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.472 -4.150 13.615 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.129 -3.501 13.907 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.386 -1.853 13.457 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.141 -2.160 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.859 -0.595 14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.759 0.033 13.219 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.250 -1.959 14.211 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.426 1.177 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.113 1.606 12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.406 -1.372 13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.783 0.178 13.076 1.00 0.00 H new ATOM 588 N THR A 39 1.203 -5.276 16.970 1.00 0.00 N ATOM 589 CA THR A 39 0.584 -6.406 17.640 1.00 0.00 C ATOM 590 C THR A 39 0.266 -6.073 19.095 1.00 0.00 C ATOM 591 O THR A 39 -0.888 -6.118 19.515 1.00 0.00 O ATOM 592 CB THR A 39 1.494 -7.644 17.596 1.00 0.00 C ATOM 593 OG1 THR A 39 2.127 -7.739 16.314 1.00 0.00 O ATOM 594 CG2 THR A 39 0.696 -8.910 17.870 1.00 0.00 C ATOM 0 H THR A 39 2.208 -5.187 17.120 1.00 0.00 H new ATOM 0 HA THR A 39 -0.343 -6.624 17.110 1.00 0.00 H new ATOM 0 HB THR A 39 2.255 -7.539 18.369 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.578 -8.606 16.235 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.360 -9.774 17.834 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.238 -8.845 18.857 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.083 -9.020 17.115 1.00 0.00 H new ATOM 602 N CYS A 40 1.295 -5.715 19.852 1.00 0.00 N ATOM 603 CA CYS A 40 1.147 -5.493 21.288 1.00 0.00 C ATOM 604 C CYS A 40 1.117 -4.000 21.620 1.00 0.00 C ATOM 605 O CYS A 40 0.706 -3.607 22.710 1.00 0.00 O ATOM 606 CB CYS A 40 2.286 -6.189 22.037 1.00 0.00 C ATOM 607 SG CYS A 40 3.931 -5.535 21.633 1.00 0.00 S ATOM 0 H CYS A 40 2.241 -5.572 19.498 1.00 0.00 H new ATOM 0 HA CYS A 40 0.195 -5.918 21.607 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.118 -6.089 23.109 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.262 -7.254 21.808 1.00 0.00 H new ATOM 612 N GLY A 41 1.545 -3.169 20.671 1.00 0.00 N ATOM 613 CA GLY A 41 1.509 -1.730 20.872 1.00 0.00 C ATOM 614 C GLY A 41 2.733 -1.179 21.583 1.00 0.00 C ATOM 615 O GLY A 41 2.671 -0.110 22.188 1.00 0.00 O ATOM 0 H GLY A 41 1.915 -3.466 19.768 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.412 -1.240 19.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.620 -1.475 21.449 1.00 0.00 H new ATOM 619 N HIS A 42 3.854 -1.885 21.520 1.00 0.00 N ATOM 620 CA HIS A 42 5.064 -1.395 22.169 1.00 0.00 C ATOM 621 C HIS A 42 5.919 -0.627 21.170 1.00 0.00 C ATOM 622 O HIS A 42 6.061 -1.042 20.016 1.00 0.00 O ATOM 623 CB HIS A 42 5.872 -2.539 22.786 1.00 0.00 C ATOM 624 CG HIS A 42 6.754 -2.096 23.919 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.445 -1.760 25.195 1.00 0.00 N flip ATOM 626 CD2 HIS A 42 8.123 -1.954 23.810 1.00 0.00 C flip ATOM 627 CE1 HIS A 42 7.617 -1.424 25.823 1.00 0.00 C flip ATOM 628 NE2 HIS A 42 8.613 -1.549 24.971 1.00 0.00 N flip ATOM 0 H HIS A 42 3.952 -2.779 21.038 1.00 0.00 H new ATOM 0 HA HIS A 42 4.764 -0.726 22.975 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.187 -3.306 23.146 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.488 -2.999 22.013 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.702 -2.143 22.918 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.708 -1.108 26.852 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.596 -1.365 25.172 1.00 0.00 H new ATOM 637 N VAL A 43 6.466 0.497 21.614 1.00 0.00 N ATOM 638 CA VAL A 43 7.301 1.340 20.767 1.00 0.00 C ATOM 639 C VAL A 43 8.772 1.183 21.152 1.00 0.00 C ATOM 640 O VAL A 43 9.097 1.015 22.330 1.00 0.00 O ATOM 641 CB VAL A 43 6.894 2.828 20.886 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.677 3.692 19.905 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.397 2.994 20.669 1.00 0.00 C ATOM 0 H VAL A 43 6.345 0.849 22.564 1.00 0.00 H new ATOM 0 HA VAL A 43 7.157 1.021 19.735 1.00 0.00 H new ATOM 0 HB VAL A 43 7.136 3.162 21.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.370 4.732 20.011 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.743 3.605 20.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.479 3.357 18.887 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.131 4.047 20.757 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.131 2.634 19.675 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.855 2.419 21.420 1.00 0.00 H new ATOM 653 N GLY A 44 9.653 1.212 20.161 1.00 0.00 N ATOM 654 CA GLY A 44 11.071 1.107 20.429 1.00 0.00 C ATOM 655 C GLY A 44 11.910 1.510 19.235 1.00 0.00 C ATOM 656 O GLY A 44 11.382 1.689 18.133 1.00 0.00 O ATOM 0 H GLY A 44 9.409 1.307 19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.326 1.739 21.280 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.311 0.082 20.710 1.00 0.00 H new ATOM 660 N CYS A 45 13.212 1.661 19.452 1.00 0.00 N ATOM 661 CA CYS A 45 14.128 2.002 18.376 1.00 0.00 C ATOM 662 C CYS A 45 14.332 0.799 17.469 1.00 0.00 C ATOM 663 O CYS A 45 14.546 -0.322 17.938 1.00 0.00 O ATOM 664 CB CYS A 45 15.465 2.493 18.940 1.00 0.00 C ATOM 665 SG CYS A 45 16.227 1.379 20.145 1.00 0.00 S ATOM 0 H CYS A 45 13.654 1.552 20.365 1.00 0.00 H new ATOM 0 HA CYS A 45 13.695 2.812 17.788 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.160 2.644 18.114 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.312 3.465 19.409 1.00 0.00 H new ATOM 0 HG CYS A 45 16.638 2.064 21.170 1.00 0.00 H new ATOM 671 N CYS A 46 14.252 1.035 16.175 1.00 0.00 N ATOM 672 CA CYS A 46 14.268 -0.040 15.201 1.00 0.00 C ATOM 673 C CYS A 46 15.684 -0.431 14.788 1.00 0.00 C ATOM 674 O CYS A 46 16.662 -0.004 15.403 1.00 0.00 O ATOM 675 CB CYS A 46 13.451 0.382 13.989 1.00 0.00 C ATOM 676 SG CYS A 46 13.784 2.062 13.429 1.00 0.00 S ATOM 0 H CYS A 46 14.175 1.968 15.771 1.00 0.00 H new ATOM 0 HA CYS A 46 13.827 -0.925 15.661 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.651 -0.309 13.170 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.391 0.293 14.229 1.00 0.00 H new ATOM 0 HG CYS A 46 14.100 2.045 12.168 1.00 0.00 H new ATOM 682 N ASP A 47 15.767 -1.248 13.736 1.00 0.00 N ATOM 683 CA ASP A 47 17.040 -1.744 13.204 1.00 0.00 C ATOM 684 C ASP A 47 17.947 -0.586 12.789 1.00 0.00 C ATOM 685 O ASP A 47 19.166 -0.732 12.715 1.00 0.00 O ATOM 686 CB ASP A 47 16.761 -2.665 12.008 1.00 0.00 C ATOM 687 CG ASP A 47 17.997 -3.376 11.490 1.00 0.00 C ATOM 688 OD1 ASP A 47 18.461 -4.329 12.148 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.489 -3.007 10.403 1.00 0.00 O ATOM 0 H ASP A 47 14.951 -1.586 13.226 1.00 0.00 H new ATOM 0 HA ASP A 47 17.557 -2.305 13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.019 -3.409 12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.325 -2.077 11.201 1.00 0.00 H new ATOM 694 N ASP A 48 17.329 0.565 12.526 1.00 0.00 N ATOM 695 CA ASP A 48 18.050 1.803 12.228 1.00 0.00 C ATOM 696 C ASP A 48 19.076 2.115 13.315 1.00 0.00 C ATOM 697 O ASP A 48 20.151 2.644 13.036 1.00 0.00 O ATOM 698 CB ASP A 48 17.074 2.984 12.137 1.00 0.00 C ATOM 699 CG ASP A 48 16.051 2.856 11.025 1.00 0.00 C ATOM 700 OD1 ASP A 48 15.273 1.882 11.035 1.00 0.00 O ATOM 701 OD2 ASP A 48 15.993 3.753 10.162 1.00 0.00 O ATOM 0 H ASP A 48 16.314 0.666 12.513 1.00 0.00 H new ATOM 0 HA ASP A 48 18.559 1.661 11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.551 3.083 13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.643 3.902 11.989 1.00 0.00 H new ATOM 706 N SER A 49 18.732 1.782 14.554 1.00 0.00 N ATOM 707 CA SER A 49 19.562 2.116 15.700 1.00 0.00 C ATOM 708 C SER A 49 20.301 0.877 16.197 1.00 0.00 C ATOM 709 O SER A 49 19.776 -0.229 16.111 1.00 0.00 O ATOM 710 CB SER A 49 18.681 2.692 16.808 1.00 0.00 C ATOM 711 OG SER A 49 17.809 3.679 16.282 1.00 0.00 O ATOM 0 H SER A 49 17.877 1.277 14.789 1.00 0.00 H new ATOM 0 HA SER A 49 20.303 2.859 15.407 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.101 1.894 17.272 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.305 3.127 17.589 1.00 0.00 H new ATOM 0 HG SER A 49 16.921 3.289 16.141 1.00 0.00 H new ATOM 717 N PRO A 50 21.519 1.049 16.743 1.00 0.00 N ATOM 718 CA PRO A 50 22.367 -0.073 17.175 1.00 0.00 C ATOM 719 C PRO A 50 21.785 -0.852 18.356 1.00 0.00 C ATOM 720 O PRO A 50 22.214 -1.970 18.643 1.00 0.00 O ATOM 721 CB PRO A 50 23.680 0.602 17.580 1.00 0.00 C ATOM 722 CG PRO A 50 23.309 2.010 17.894 1.00 0.00 C ATOM 723 CD PRO A 50 22.173 2.351 16.973 1.00 0.00 C ATOM 0 HA PRO A 50 22.473 -0.814 16.382 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.127 0.110 18.444 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.412 0.557 16.774 1.00 0.00 H new ATOM 0 HG2 PRO A 50 23.010 2.112 18.937 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.154 2.681 17.737 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.490 3.070 17.426 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.529 2.792 16.042 1.00 0.00 H new ATOM 731 N HIS A 51 20.815 -0.258 19.043 1.00 0.00 N ATOM 732 CA HIS A 51 20.175 -0.918 20.174 1.00 0.00 C ATOM 733 C HIS A 51 19.186 -1.972 19.673 1.00 0.00 C ATOM 734 O HIS A 51 18.935 -2.969 20.347 1.00 0.00 O ATOM 735 CB HIS A 51 19.463 0.109 21.059 1.00 0.00 C ATOM 736 CG HIS A 51 19.295 -0.327 22.484 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.772 0.405 23.549 1.00 0.00 N ATOM 738 CD2 HIS A 51 18.686 -1.410 23.022 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.464 -0.205 24.677 1.00 0.00 C ATOM 740 NE2 HIS A 51 18.806 -1.309 24.385 1.00 0.00 N ATOM 0 H HIS A 51 20.456 0.675 18.838 1.00 0.00 H new ATOM 0 HA HIS A 51 20.940 -1.413 20.772 1.00 0.00 H new ATOM 0 HB2 HIS A 51 20.025 1.043 21.039 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.481 0.319 20.636 1.00 0.00 H new ATOM 0 HD2 HIS A 51 18.197 -2.205 22.479 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.709 0.141 25.670 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.444 -1.980 25.063 1.00 0.00 H new ATOM 749 N LYS A 52 18.625 -1.719 18.485 1.00 0.00 N ATOM 750 CA LYS A 52 17.766 -2.677 17.775 1.00 0.00 C ATOM 751 C LYS A 52 16.672 -3.260 18.677 1.00 0.00 C ATOM 752 O LYS A 52 16.382 -4.456 18.633 1.00 0.00 O ATOM 753 CB LYS A 52 18.632 -3.795 17.186 1.00 0.00 C ATOM 754 CG LYS A 52 19.843 -3.264 16.436 1.00 0.00 C ATOM 755 CD LYS A 52 19.900 -3.753 15.001 1.00 0.00 C ATOM 756 CE LYS A 52 20.125 -5.251 14.917 1.00 0.00 C ATOM 757 NZ LYS A 52 20.322 -5.689 13.513 1.00 0.00 N ATOM 0 H LYS A 52 18.754 -0.839 17.985 1.00 0.00 H new ATOM 0 HA LYS A 52 17.257 -2.142 16.973 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.966 -4.452 17.989 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.027 -4.400 16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.822 -2.174 16.444 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.751 -3.569 16.956 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.969 -3.498 14.494 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.702 -3.236 14.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.997 -5.524 15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.271 -5.774 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.507 -6.712 13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.466 -5.480 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.131 -5.182 13.102 1.00 0.00 H new ATOM 771 N HIS A 53 16.033 -2.395 19.458 1.00 0.00 N ATOM 772 CA HIS A 53 15.032 -2.831 20.428 1.00 0.00 C ATOM 773 C HIS A 53 13.782 -3.370 19.728 1.00 0.00 C ATOM 774 O HIS A 53 13.081 -4.222 20.267 1.00 0.00 O ATOM 775 CB HIS A 53 14.667 -1.668 21.366 1.00 0.00 C ATOM 776 CG HIS A 53 13.770 -2.051 22.511 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.863 -1.180 23.082 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.655 -3.211 23.203 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.235 -1.789 24.072 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.696 -3.020 24.165 1.00 0.00 N ATOM 0 H HIS A 53 16.190 -1.387 19.439 1.00 0.00 H new ATOM 0 HA HIS A 53 15.458 -3.642 21.019 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.585 -1.239 21.767 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.179 -0.887 20.783 1.00 0.00 H new ATOM 0 HD1 HIS A 53 12.703 -0.217 22.786 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.215 -4.118 23.029 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.472 -1.352 24.699 1.00 0.00 H new ATOM 789 N ALA A 54 13.505 -2.869 18.531 1.00 0.00 N ATOM 790 CA ALA A 54 12.333 -3.304 17.777 1.00 0.00 C ATOM 791 C ALA A 54 12.537 -4.682 17.148 1.00 0.00 C ATOM 792 O ALA A 54 11.614 -5.499 17.119 1.00 0.00 O ATOM 793 CB ALA A 54 11.973 -2.286 16.706 1.00 0.00 C ATOM 0 H ALA A 54 14.073 -2.164 18.061 1.00 0.00 H new ATOM 0 HA ALA A 54 11.507 -3.382 18.484 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.097 -2.630 16.156 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.753 -1.327 17.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.810 -2.170 16.018 1.00 0.00 H new ATOM 799 N THR A 55 13.740 -4.944 16.649 1.00 0.00 N ATOM 800 CA THR A 55 14.014 -6.199 15.960 1.00 0.00 C ATOM 801 C THR A 55 14.204 -7.338 16.955 1.00 0.00 C ATOM 802 O THR A 55 13.695 -8.443 16.754 1.00 0.00 O ATOM 803 CB THR A 55 15.254 -6.089 15.052 1.00 0.00 C ATOM 804 OG1 THR A 55 16.390 -5.672 15.814 1.00 0.00 O ATOM 805 CG2 THR A 55 15.012 -5.100 13.923 1.00 0.00 C ATOM 0 H THR A 55 14.536 -4.309 16.708 1.00 0.00 H new ATOM 0 HA THR A 55 13.148 -6.415 15.334 1.00 0.00 H new ATOM 0 HB THR A 55 15.446 -7.073 14.623 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.143 -6.273 15.634 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.901 -5.039 13.296 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.166 -5.434 13.322 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.795 -4.117 14.341 1.00 0.00 H new ATOM 813 N ARG A 56 14.926 -7.062 18.037 1.00 0.00 N ATOM 814 CA ARG A 56 15.128 -8.050 19.090 1.00 0.00 C ATOM 815 C ARG A 56 13.811 -8.361 19.782 1.00 0.00 C ATOM 816 O ARG A 56 13.614 -9.457 20.308 1.00 0.00 O ATOM 817 CB ARG A 56 16.157 -7.560 20.107 1.00 0.00 C ATOM 818 CG ARG A 56 17.545 -7.410 19.520 1.00 0.00 C ATOM 819 CD ARG A 56 18.559 -6.984 20.564 1.00 0.00 C ATOM 820 NE ARG A 56 19.899 -6.891 19.995 1.00 0.00 N ATOM 821 CZ ARG A 56 20.825 -6.029 20.404 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.583 -5.227 21.434 1.00 0.00 N ATOM 823 NH2 ARG A 56 21.999 -5.982 19.787 1.00 0.00 N ATOM 0 H ARG A 56 15.380 -6.164 18.207 1.00 0.00 H new ATOM 0 HA ARG A 56 15.509 -8.963 18.631 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.833 -6.600 20.509 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.195 -8.259 20.942 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.856 -8.356 19.077 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.521 -6.674 18.716 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.271 -6.019 20.981 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.560 -7.699 21.386 1.00 0.00 H new ATOM 0 HE ARG A 56 20.141 -7.527 19.235 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.684 -5.271 21.914 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.296 -4.567 21.745 1.00 0.00 H new ATOM 0 HH21 ARG A 56 22.188 -6.606 19.002 1.00 0.00 H new ATOM 0 HH22 ARG A 56 22.712 -5.322 20.097 1.00 0.00 H new ATOM 837 N HIS A 57 12.908 -7.390 19.775 1.00 0.00 N ATOM 838 CA HIS A 57 11.570 -7.594 20.300 1.00 0.00 C ATOM 839 C HIS A 57 10.847 -8.659 19.486 1.00 0.00 C ATOM 840 O HIS A 57 10.236 -9.569 20.041 1.00 0.00 O ATOM 841 CB HIS A 57 10.781 -6.282 20.277 1.00 0.00 C ATOM 842 CG HIS A 57 9.341 -6.444 20.642 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.873 -6.477 21.934 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.256 -6.606 19.844 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.550 -6.656 21.885 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.127 -6.742 20.638 1.00 0.00 N ATOM 0 H HIS A 57 13.081 -6.453 19.411 1.00 0.00 H new ATOM 0 HA HIS A 57 11.648 -7.932 21.333 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.245 -5.577 20.966 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.848 -5.845 19.281 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.436 -6.382 22.779 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.269 -6.626 18.764 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.910 -6.722 22.753 1.00 0.00 H new ATOM 854 N PHE A 58 10.922 -8.534 18.167 1.00 0.00 N ATOM 855 CA PHE A 58 10.309 -9.502 17.265 1.00 0.00 C ATOM 856 C PHE A 58 10.919 -10.883 17.465 1.00 0.00 C ATOM 857 O PHE A 58 10.214 -11.892 17.455 1.00 0.00 O ATOM 858 CB PHE A 58 10.480 -9.060 15.811 1.00 0.00 C ATOM 859 CG PHE A 58 10.274 -10.168 14.816 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.040 -10.775 14.669 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.324 -10.602 14.029 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.857 -11.793 13.756 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.148 -11.619 13.114 1.00 0.00 C ATOM 864 CZ PHE A 58 9.913 -12.215 12.977 1.00 0.00 C ATOM 0 H PHE A 58 11.404 -7.768 17.696 1.00 0.00 H new ATOM 0 HA PHE A 58 9.245 -9.555 17.494 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.774 -8.257 15.599 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.481 -8.648 15.681 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.209 -10.448 15.277 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.294 -10.139 14.132 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.888 -12.258 13.652 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.977 -11.948 12.505 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.773 -13.011 12.261 1.00 0.00 H new ATOM 874 N HIS A 59 12.228 -10.911 17.659 1.00 0.00 N ATOM 875 CA HIS A 59 12.956 -12.158 17.848 1.00 0.00 C ATOM 876 C HIS A 59 12.454 -12.898 19.089 1.00 0.00 C ATOM 877 O HIS A 59 12.540 -14.122 19.173 1.00 0.00 O ATOM 878 CB HIS A 59 14.454 -11.869 17.974 1.00 0.00 C ATOM 879 CG HIS A 59 15.328 -13.047 17.678 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.842 -13.873 18.651 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.794 -13.524 16.500 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.586 -14.806 18.086 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.574 -14.617 16.780 1.00 0.00 N ATOM 0 H HIS A 59 12.814 -10.076 17.690 1.00 0.00 H new ATOM 0 HA HIS A 59 12.785 -12.795 16.981 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.715 -11.056 17.296 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.662 -11.520 18.985 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.589 -13.119 15.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.115 -15.591 18.605 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.064 -15.189 16.092 1.00 0.00 H new ATOM 892 N ALA A 60 11.925 -12.144 20.046 1.00 0.00 N ATOM 893 CA ALA A 60 11.433 -12.716 21.291 1.00 0.00 C ATOM 894 C ALA A 60 9.923 -12.972 21.248 1.00 0.00 C ATOM 895 O ALA A 60 9.464 -14.075 21.538 1.00 0.00 O ATOM 896 CB ALA A 60 11.775 -11.793 22.449 1.00 0.00 C ATOM 0 H ALA A 60 11.826 -11.131 19.981 1.00 0.00 H new ATOM 0 HA ALA A 60 11.922 -13.680 21.431 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.405 -12.224 23.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.856 -11.671 22.510 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.309 -10.821 22.289 1.00 0.00 H new ATOM 902 N THR A 61 9.156 -11.951 20.880 1.00 0.00 N ATOM 903 CA THR A 61 7.696 -12.032 20.927 1.00 0.00 C ATOM 904 C THR A 61 7.111 -12.751 19.717 1.00 0.00 C ATOM 905 O THR A 61 6.030 -13.335 19.796 1.00 0.00 O ATOM 906 CB THR A 61 7.057 -10.633 21.010 1.00 0.00 C ATOM 907 OG1 THR A 61 7.594 -9.787 19.983 1.00 0.00 O ATOM 908 CG2 THR A 61 7.290 -10.002 22.371 1.00 0.00 C ATOM 0 H THR A 61 9.518 -11.058 20.546 1.00 0.00 H new ATOM 0 HA THR A 61 7.464 -12.604 21.825 1.00 0.00 H new ATOM 0 HB THR A 61 5.982 -10.744 20.865 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.473 -9.455 20.260 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.827 -9.015 22.399 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.849 -10.631 23.144 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.361 -9.905 22.549 1.00 0.00 H new ATOM 916 N GLY A 62 7.817 -12.704 18.599 1.00 0.00 N ATOM 917 CA GLY A 62 7.277 -13.247 17.370 1.00 0.00 C ATOM 918 C GLY A 62 6.213 -12.341 16.782 1.00 0.00 C ATOM 919 O GLY A 62 5.226 -12.812 16.219 1.00 0.00 O ATOM 0 H GLY A 62 8.751 -12.301 18.520 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.081 -13.382 16.647 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.852 -14.232 17.562 1.00 0.00 H new ATOM 923 N HIS A 63 6.411 -11.035 16.933 1.00 0.00 N ATOM 924 CA HIS A 63 5.489 -10.042 16.386 1.00 0.00 C ATOM 925 C HIS A 63 6.099 -9.430 15.131 1.00 0.00 C ATOM 926 O HIS A 63 6.921 -8.517 15.218 1.00 0.00 O ATOM 927 CB HIS A 63 5.193 -8.939 17.411 1.00 0.00 C ATOM 928 CG HIS A 63 4.450 -9.397 18.634 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.297 -8.573 19.721 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.822 -10.574 18.887 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.589 -9.246 20.599 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.276 -10.468 20.144 1.00 0.00 N ATOM 0 H HIS A 63 7.206 -10.637 17.432 1.00 0.00 H new ATOM 0 HA HIS A 63 4.549 -10.536 16.141 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.136 -8.490 17.723 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.613 -8.156 16.923 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.763 -11.428 18.228 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.296 -8.863 21.566 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.737 -11.181 20.636 1.00 0.00 H new ATOM 940 N PRO A 64 5.714 -9.935 13.951 1.00 0.00 N ATOM 941 CA PRO A 64 6.399 -9.622 12.696 1.00 0.00 C ATOM 942 C PRO A 64 6.020 -8.279 12.076 1.00 0.00 C ATOM 943 O PRO A 64 6.716 -7.801 11.187 1.00 0.00 O ATOM 944 CB PRO A 64 5.958 -10.762 11.782 1.00 0.00 C ATOM 945 CG PRO A 64 4.593 -11.120 12.259 1.00 0.00 C ATOM 946 CD PRO A 64 4.582 -10.861 13.744 1.00 0.00 C ATOM 0 HA PRO A 64 7.474 -9.535 12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.944 -10.450 10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.638 -11.611 11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.835 -10.521 11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.368 -12.165 12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.639 -10.418 14.065 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.711 -11.783 14.311 1.00 0.00 H new ATOM 954 N ILE A 65 4.930 -7.670 12.516 1.00 0.00 N ATOM 955 CA ILE A 65 4.466 -6.450 11.868 1.00 0.00 C ATOM 956 C ILE A 65 4.647 -5.218 12.750 1.00 0.00 C ATOM 957 O ILE A 65 4.196 -5.172 13.900 1.00 0.00 O ATOM 958 CB ILE A 65 2.997 -6.559 11.418 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.835 -7.743 10.458 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.556 -5.261 10.750 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.417 -7.962 9.980 1.00 0.00 C ATOM 0 H ILE A 65 4.361 -7.989 13.300 1.00 0.00 H new ATOM 0 HA ILE A 65 5.092 -6.328 10.984 1.00 0.00 H new ATOM 0 HB ILE A 65 2.366 -6.728 12.290 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.478 -7.585 9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.184 -8.649 10.954 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.516 -5.349 10.436 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.653 -4.437 11.457 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.183 -5.068 9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.389 -8.818 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.770 -8.153 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.069 -7.073 9.454 1.00 0.00 H new ATOM 973 N ILE A 66 5.317 -4.223 12.187 1.00 0.00 N ATOM 974 CA ILE A 66 5.553 -2.957 12.861 1.00 0.00 C ATOM 975 C ILE A 66 5.184 -1.792 11.950 1.00 0.00 C ATOM 976 O ILE A 66 5.106 -1.949 10.733 1.00 0.00 O ATOM 977 CB ILE A 66 7.027 -2.809 13.281 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.942 -2.945 12.061 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.382 -3.841 14.339 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.400 -2.700 12.369 1.00 0.00 C ATOM 0 H ILE A 66 5.713 -4.272 11.248 1.00 0.00 H new ATOM 0 HA ILE A 66 4.927 -2.945 13.753 1.00 0.00 H new ATOM 0 HB ILE A 66 7.172 -1.817 13.710 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.831 -3.946 11.643 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.618 -2.242 11.294 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.427 -3.724 14.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.748 -3.698 15.214 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.226 -4.842 13.937 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.988 -2.813 11.458 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.525 -1.690 12.758 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.741 -3.420 13.113 1.00 0.00 H new ATOM 992 N GLU A 67 4.969 -0.632 12.542 1.00 0.00 N ATOM 993 CA GLU A 67 4.601 0.560 11.793 1.00 0.00 C ATOM 994 C GLU A 67 5.532 1.715 12.151 1.00 0.00 C ATOM 995 O GLU A 67 6.005 1.807 13.285 1.00 0.00 O ATOM 996 CB GLU A 67 3.143 0.919 12.095 1.00 0.00 C ATOM 997 CG GLU A 67 2.653 2.192 11.426 1.00 0.00 C ATOM 998 CD GLU A 67 1.172 2.411 11.638 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.745 2.546 12.807 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.427 2.438 10.642 1.00 0.00 O ATOM 0 H GLU A 67 5.043 -0.487 13.549 1.00 0.00 H new ATOM 0 HA GLU A 67 4.701 0.366 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.507 0.091 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.024 1.022 13.174 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.205 3.045 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.863 2.144 10.357 1.00 0.00 H new ATOM 1007 N GLY A 68 5.813 2.576 11.182 1.00 0.00 N ATOM 1008 CA GLY A 68 6.671 3.719 11.430 1.00 0.00 C ATOM 1009 C GLY A 68 5.991 4.756 12.301 1.00 0.00 C ATOM 1010 O GLY A 68 5.053 5.419 11.862 1.00 0.00 O ATOM 0 H GLY A 68 5.462 2.504 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.590 3.386 11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.956 4.172 10.481 1.00 0.00 H new ATOM 1014 N TYR A 69 6.461 4.892 13.535 1.00 0.00 N ATOM 1015 CA TYR A 69 5.850 5.815 14.481 1.00 0.00 C ATOM 1016 C TYR A 69 6.594 7.147 14.481 1.00 0.00 C ATOM 1017 O TYR A 69 5.978 8.209 14.534 1.00 0.00 O ATOM 1018 CB TYR A 69 5.833 5.204 15.886 1.00 0.00 C ATOM 1019 CG TYR A 69 4.849 5.868 16.825 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.549 6.131 16.415 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.213 6.223 18.119 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.639 6.730 17.263 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.306 6.824 18.975 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.022 7.076 18.540 1.00 0.00 C ATOM 1025 OH TYR A 69 2.112 7.671 19.386 1.00 0.00 O ATOM 0 H TYR A 69 7.261 4.376 13.902 1.00 0.00 H new ATOM 0 HA TYR A 69 4.820 5.998 14.174 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.590 4.144 15.809 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.833 5.272 16.314 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.244 5.862 15.414 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.218 6.027 18.462 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.632 6.926 16.927 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.602 7.094 19.978 1.00 0.00 H new ATOM 0 HH TYR A 69 1.209 7.573 19.017 1.00 0.00 H new ATOM 1035 N ASP A 70 7.922 7.081 14.417 1.00 0.00 N ATOM 1036 CA ASP A 70 8.740 8.289 14.293 1.00 0.00 C ATOM 1037 C ASP A 70 8.534 8.940 12.922 1.00 0.00 C ATOM 1038 O ASP A 70 8.351 10.156 12.843 1.00 0.00 O ATOM 1039 CB ASP A 70 10.225 7.989 14.545 1.00 0.00 C ATOM 1040 CG ASP A 70 11.135 9.153 14.190 1.00 0.00 C ATOM 1041 OD1 ASP A 70 11.584 9.222 13.029 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.413 9.989 15.073 1.00 0.00 O ATOM 0 H ASP A 70 8.453 6.211 14.449 1.00 0.00 H new ATOM 0 HA ASP A 70 8.416 8.994 15.058 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.365 7.733 15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.517 7.116 13.962 1.00 0.00 H new ATOM 1047 N PRO A 71 8.584 8.164 11.810 1.00 0.00 N ATOM 1048 CA PRO A 71 8.150 8.633 10.509 1.00 0.00 C ATOM 1049 C PRO A 71 6.741 8.134 10.180 1.00 0.00 C ATOM 1050 O PRO A 71 6.572 7.051 9.611 1.00 0.00 O ATOM 1051 CB PRO A 71 9.182 8.005 9.571 1.00 0.00 C ATOM 1052 CG PRO A 71 9.683 6.778 10.284 1.00 0.00 C ATOM 1053 CD PRO A 71 9.118 6.802 11.688 1.00 0.00 C ATOM 0 HA PRO A 71 8.095 9.719 10.438 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.733 7.745 8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.997 8.699 9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.368 5.875 9.760 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.773 6.768 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.340 6.051 11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.886 6.602 12.435 1.00 0.00 H new ATOM 1061 N PRO A 72 5.708 8.896 10.569 1.00 0.00 N ATOM 1062 CA PRO A 72 4.319 8.493 10.389 1.00 0.00 C ATOM 1063 C PRO A 72 3.865 8.637 8.942 1.00 0.00 C ATOM 1064 O PRO A 72 3.397 9.698 8.526 1.00 0.00 O ATOM 1065 CB PRO A 72 3.531 9.449 11.303 1.00 0.00 C ATOM 1066 CG PRO A 72 4.558 10.236 12.053 1.00 0.00 C ATOM 1067 CD PRO A 72 5.801 10.206 11.216 1.00 0.00 C ATOM 0 HA PRO A 72 4.167 7.442 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.886 10.105 10.719 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.887 8.895 11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.222 11.260 12.214 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.740 9.802 13.036 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.822 11.018 10.489 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.702 10.297 11.822 1.00 0.00 H new ATOM 1075 N GLU A 73 4.049 7.577 8.169 1.00 0.00 N ATOM 1076 CA GLU A 73 3.637 7.565 6.772 1.00 0.00 C ATOM 1077 C GLU A 73 2.497 6.576 6.558 1.00 0.00 C ATOM 1078 O GLU A 73 1.863 6.557 5.503 1.00 0.00 O ATOM 1079 CB GLU A 73 4.817 7.190 5.881 1.00 0.00 C ATOM 1080 CG GLU A 73 6.034 8.076 6.069 1.00 0.00 C ATOM 1081 CD GLU A 73 7.228 7.577 5.291 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.888 6.622 5.757 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.510 8.128 4.208 1.00 0.00 O ATOM 0 H GLU A 73 4.483 6.710 8.487 1.00 0.00 H new ATOM 0 HA GLU A 73 3.289 8.564 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.098 6.156 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.502 7.238 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.795 9.091 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.287 8.124 7.128 1.00 0.00 H new ATOM 1090 N GLY A 74 2.251 5.748 7.568 1.00 0.00 N ATOM 1091 CA GLY A 74 1.181 4.776 7.486 1.00 0.00 C ATOM 1092 C GLY A 74 1.563 3.550 6.680 1.00 0.00 C ATOM 1093 O GLY A 74 0.999 3.297 5.612 1.00 0.00 O ATOM 0 H GLY A 74 2.776 5.734 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.896 4.470 8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.305 5.243 7.036 1.00 0.00 H new ATOM 1097 N TRP A 75 2.521 2.787 7.182 1.00 0.00 N ATOM 1098 CA TRP A 75 2.933 1.555 6.530 1.00 0.00 C ATOM 1099 C TRP A 75 3.250 0.483 7.555 1.00 0.00 C ATOM 1100 O TRP A 75 3.690 0.781 8.667 1.00 0.00 O ATOM 1101 CB TRP A 75 4.137 1.777 5.601 1.00 0.00 C ATOM 1102 CG TRP A 75 5.282 2.536 6.213 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.549 3.860 6.047 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.321 2.021 7.062 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.680 4.210 6.743 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.173 3.099 7.374 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.614 0.760 7.589 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.294 2.953 8.188 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.726 0.617 8.398 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.554 1.708 8.690 1.00 0.00 C ATOM 0 H TRP A 75 3.028 3.000 8.041 1.00 0.00 H new ATOM 0 HA TRP A 75 2.097 1.219 5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.502 0.806 5.266 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.798 2.313 4.714 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.956 4.539 5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.086 5.145 6.783 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.983 -0.088 7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.934 3.793 8.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 7.960 -0.353 8.812 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.416 1.563 9.325 1.00 0.00 H new ATOM 1121 N GLY A 76 3.021 -0.760 7.173 1.00 0.00 N ATOM 1122 CA GLY A 76 3.303 -1.871 8.047 1.00 0.00 C ATOM 1123 C GLY A 76 4.391 -2.758 7.491 1.00 0.00 C ATOM 1124 O GLY A 76 4.242 -3.338 6.412 1.00 0.00 O ATOM 0 H GLY A 76 2.641 -1.020 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.603 -1.497 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.396 -2.457 8.195 1.00 0.00 H new ATOM 1128 N TRP A 77 5.489 -2.858 8.219 1.00 0.00 N ATOM 1129 CA TRP A 77 6.599 -3.692 7.805 1.00 0.00 C ATOM 1130 C TRP A 77 6.469 -5.059 8.452 1.00 0.00 C ATOM 1131 O TRP A 77 6.293 -5.166 9.665 1.00 0.00 O ATOM 1132 CB TRP A 77 7.934 -3.045 8.184 1.00 0.00 C ATOM 1133 CG TRP A 77 9.126 -3.846 7.752 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.886 -4.676 8.527 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.692 -3.897 6.437 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.888 -5.236 7.774 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.792 -4.772 6.489 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.378 -3.284 5.221 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.576 -5.052 5.373 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.156 -3.563 4.113 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.244 -4.439 4.196 1.00 0.00 C ATOM 0 H TRP A 77 5.634 -2.369 9.103 1.00 0.00 H new ATOM 0 HA TRP A 77 6.576 -3.802 6.721 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.989 -2.053 7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.969 -2.908 9.265 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.722 -4.864 9.578 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.590 -5.892 8.116 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.542 -2.604 5.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.416 -5.728 5.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 9.920 -3.097 3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.834 -4.635 3.313 1.00 0.00 H new ATOM 1152 N CYS A 78 6.531 -6.097 7.640 1.00 0.00 N ATOM 1153 CA CYS A 78 6.395 -7.456 8.137 1.00 0.00 C ATOM 1154 C CYS A 78 7.741 -8.169 8.058 1.00 0.00 C ATOM 1155 O CYS A 78 8.153 -8.573 6.981 1.00 0.00 O ATOM 1156 CB CYS A 78 5.341 -8.202 7.312 1.00 0.00 C ATOM 1157 SG CYS A 78 4.658 -9.693 8.107 1.00 0.00 S ATOM 0 H CYS A 78 6.675 -6.027 6.633 1.00 0.00 H new ATOM 0 HA CYS A 78 6.073 -7.434 9.178 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.522 -7.518 7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.783 -8.487 6.357 1.00 0.00 H new ATOM 1162 N TYR A 79 8.411 -8.306 9.203 1.00 0.00 N ATOM 1163 CA TYR A 79 9.768 -8.870 9.279 1.00 0.00 C ATOM 1164 C TYR A 79 9.931 -10.150 8.455 1.00 0.00 C ATOM 1165 O TYR A 79 10.795 -10.229 7.583 1.00 0.00 O ATOM 1166 CB TYR A 79 10.138 -9.181 10.732 1.00 0.00 C ATOM 1167 CG TYR A 79 10.432 -7.971 11.593 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.615 -7.259 11.442 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.547 -7.565 12.583 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.905 -6.176 12.250 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.826 -6.480 13.389 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.007 -5.791 13.222 1.00 0.00 C ATOM 1173 OH TYR A 79 11.294 -4.720 14.039 1.00 0.00 O ATOM 0 H TYR A 79 8.031 -8.030 10.108 1.00 0.00 H new ATOM 0 HA TYR A 79 10.432 -8.112 8.864 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.321 -9.741 11.187 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.012 -9.832 10.737 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.320 -7.557 10.680 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.624 -8.108 12.725 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.830 -5.634 12.120 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.121 -6.172 14.147 1.00 0.00 H new ATOM 0 HH TYR A 79 10.556 -4.582 14.668 1.00 0.00 H new ATOM 1183 N VAL A 80 9.098 -11.146 8.739 1.00 0.00 N ATOM 1184 CA VAL A 80 9.214 -12.459 8.103 1.00 0.00 C ATOM 1185 C VAL A 80 8.892 -12.411 6.607 1.00 0.00 C ATOM 1186 O VAL A 80 9.298 -13.293 5.850 1.00 0.00 O ATOM 1187 CB VAL A 80 8.313 -13.507 8.795 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.841 -13.830 10.182 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.875 -13.021 8.880 1.00 0.00 C ATOM 0 H VAL A 80 8.332 -11.071 9.408 1.00 0.00 H new ATOM 0 HA VAL A 80 10.256 -12.758 8.216 1.00 0.00 H new ATOM 0 HB VAL A 80 8.331 -14.415 8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.194 -14.569 10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.852 -14.230 10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.856 -12.923 10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.264 -13.778 9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.837 -12.095 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.492 -12.841 7.876 1.00 0.00 H new ATOM 1199 N ASP A 81 8.173 -11.379 6.187 1.00 0.00 N ATOM 1200 CA ASP A 81 7.776 -11.237 4.787 1.00 0.00 C ATOM 1201 C ASP A 81 8.762 -10.342 4.050 1.00 0.00 C ATOM 1202 O ASP A 81 9.038 -10.544 2.869 1.00 0.00 O ATOM 1203 CB ASP A 81 6.382 -10.608 4.665 1.00 0.00 C ATOM 1204 CG ASP A 81 5.272 -11.398 5.332 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.501 -11.980 6.402 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.136 -11.376 4.825 1.00 0.00 O ATOM 0 H ASP A 81 7.851 -10.625 6.794 1.00 0.00 H new ATOM 0 HA ASP A 81 7.764 -12.236 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.410 -9.608 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.142 -10.491 3.608 1.00 0.00 H new ATOM 1211 N GLU A 82 9.267 -9.341 4.770 1.00 0.00 N ATOM 1212 CA GLU A 82 10.116 -8.297 4.203 1.00 0.00 C ATOM 1213 C GLU A 82 9.343 -7.488 3.172 1.00 0.00 C ATOM 1214 O GLU A 82 9.911 -6.945 2.227 1.00 0.00 O ATOM 1215 CB GLU A 82 11.396 -8.878 3.604 1.00 0.00 C ATOM 1216 CG GLU A 82 12.411 -9.285 4.656 1.00 0.00 C ATOM 1217 CD GLU A 82 13.710 -9.765 4.054 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.453 -8.934 3.492 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.992 -10.978 4.137 1.00 0.00 O ATOM 0 H GLU A 82 9.097 -9.232 5.770 1.00 0.00 H new ATOM 0 HA GLU A 82 10.415 -7.629 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.144 -9.746 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.846 -8.141 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.610 -8.437 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.989 -10.075 5.277 1.00 0.00 H new ATOM 1226 N VAL A 83 8.036 -7.403 3.377 1.00 0.00 N ATOM 1227 CA VAL A 83 7.180 -6.599 2.524 1.00 0.00 C ATOM 1228 C VAL A 83 6.570 -5.456 3.326 1.00 0.00 C ATOM 1229 O VAL A 83 6.308 -5.595 4.527 1.00 0.00 O ATOM 1230 CB VAL A 83 6.049 -7.434 1.877 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.624 -8.593 1.080 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.062 -7.939 2.921 1.00 0.00 C ATOM 0 H VAL A 83 7.546 -7.884 4.131 1.00 0.00 H new ATOM 0 HA VAL A 83 7.804 -6.203 1.722 1.00 0.00 H new ATOM 0 HB VAL A 83 5.506 -6.780 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.811 -9.166 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.271 -8.207 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.203 -9.238 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.281 -8.521 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.585 -8.567 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.612 -7.091 3.437 1.00 0.00 H new ATOM 1242 N MET A 84 6.370 -4.327 2.669 1.00 0.00 N ATOM 1243 CA MET A 84 5.771 -3.168 3.309 1.00 0.00 C ATOM 1244 C MET A 84 4.401 -2.875 2.708 1.00 0.00 C ATOM 1245 O MET A 84 4.293 -2.428 1.566 1.00 0.00 O ATOM 1246 CB MET A 84 6.679 -1.947 3.156 1.00 0.00 C ATOM 1247 CG MET A 84 6.143 -0.699 3.838 1.00 0.00 C ATOM 1248 SD MET A 84 7.143 0.764 3.498 1.00 0.00 S ATOM 1249 CE MET A 84 8.705 0.301 4.243 1.00 0.00 C ATOM 0 H MET A 84 6.615 -4.188 1.689 1.00 0.00 H new ATOM 0 HA MET A 84 5.649 -3.387 4.370 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.661 -2.182 3.567 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.818 -1.739 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.120 -0.520 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.105 -0.866 4.914 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.332 1.186 4.352 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.524 -0.139 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.210 -0.426 3.607 1.00 0.00 H new ATOM 1259 N PHE A 85 3.358 -3.139 3.474 1.00 0.00 N ATOM 1260 CA PHE A 85 2.004 -2.843 3.033 1.00 0.00 C ATOM 1261 C PHE A 85 1.535 -1.537 3.660 1.00 0.00 C ATOM 1262 O PHE A 85 2.153 -1.042 4.603 1.00 0.00 O ATOM 1263 CB PHE A 85 1.048 -3.997 3.367 1.00 0.00 C ATOM 1264 CG PHE A 85 1.077 -4.437 4.804 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.246 -3.848 5.741 1.00 0.00 C ATOM 1266 CD2 PHE A 85 1.932 -5.450 5.212 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.269 -4.257 7.060 1.00 0.00 C ATOM 1268 CE2 PHE A 85 1.959 -5.862 6.529 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.126 -5.265 7.453 1.00 0.00 C ATOM 0 H PHE A 85 3.420 -3.557 4.402 1.00 0.00 H new ATOM 0 HA PHE A 85 2.004 -2.730 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.032 -3.695 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.294 -4.850 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.428 -3.060 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.584 -5.922 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.383 -3.789 7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.631 -6.650 6.836 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.145 -5.587 8.484 1.00 0.00 H new ATOM 1279 N ASP A 86 0.455 -0.978 3.140 1.00 0.00 N ATOM 1280 CA ASP A 86 -0.007 0.327 3.590 1.00 0.00 C ATOM 1281 C ASP A 86 -0.976 0.199 4.758 1.00 0.00 C ATOM 1282 O ASP A 86 -1.842 -0.676 4.780 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.660 1.103 2.441 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.975 0.502 1.984 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.956 -0.580 1.356 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -3.032 1.123 2.237 1.00 0.00 O ATOM 0 H ASP A 86 -0.116 -1.403 2.410 1.00 0.00 H new ATOM 0 HA ASP A 86 0.866 0.883 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.829 2.133 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.029 1.137 1.597 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.802 1.075 5.733 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.666 1.128 6.903 1.00 0.00 C ATOM 1293 C LEU A 87 -2.076 2.566 7.171 1.00 0.00 C ATOM 1294 O LEU A 87 -2.443 2.912 8.281 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.948 0.567 8.136 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.785 -0.952 8.177 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.044 -1.360 9.384 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.144 -1.634 8.222 1.00 0.00 C ATOM 0 H LEU A 87 -0.057 1.771 5.737 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.550 0.521 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.041 1.021 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.496 0.879 9.025 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.268 -1.267 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.152 -2.444 9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.029 -0.898 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.454 -1.031 10.296 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.008 -2.715 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.683 -1.312 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.716 -1.364 7.334 1.00 0.00 H new ATOM 1310 N SER A 88 -2.040 3.388 6.131 1.00 0.00 N ATOM 1311 CA SER A 88 -2.246 4.826 6.272 1.00 0.00 C ATOM 1312 C SER A 88 -3.601 5.150 6.911 1.00 0.00 C ATOM 1313 O SER A 88 -3.705 6.070 7.724 1.00 0.00 O ATOM 1314 CB SER A 88 -2.121 5.504 4.906 1.00 0.00 C ATOM 1315 OG SER A 88 -2.042 6.911 5.038 1.00 0.00 O ATOM 0 H SER A 88 -1.869 3.082 5.173 1.00 0.00 H new ATOM 0 HA SER A 88 -1.475 5.212 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.233 5.134 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.979 5.242 4.287 1.00 0.00 H new ATOM 0 HG SER A 88 -1.961 7.319 4.151 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.632 4.384 6.568 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.969 4.627 7.117 1.00 0.00 C ATOM 1323 C ASP A 89 -6.165 3.915 8.450 1.00 0.00 C ATOM 1324 O ASP A 89 -7.225 4.012 9.066 1.00 0.00 O ATOM 1325 CB ASP A 89 -7.061 4.193 6.133 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.166 5.114 4.935 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.449 6.316 5.126 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.970 4.640 3.796 1.00 0.00 O ATOM 0 H ASP A 89 -4.573 3.598 5.921 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.052 5.701 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.854 3.179 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.020 4.165 6.650 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.139 3.209 8.901 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.207 2.466 10.155 1.00 0.00 C ATOM 1335 C ARG A 90 -3.992 2.777 11.018 1.00 0.00 C ATOM 1336 O ARG A 90 -3.706 2.066 11.981 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.262 0.960 9.878 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.429 0.537 9.005 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.424 -0.962 8.757 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.517 -1.372 7.880 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.824 -2.637 7.603 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.122 -3.630 8.137 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.836 -2.901 6.789 1.00 0.00 N ATOM 0 H ARG A 90 -4.245 3.134 8.416 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.111 2.767 10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.332 0.655 9.398 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.320 0.428 10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.365 0.825 9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.382 1.065 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.473 -1.253 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.505 -1.488 9.708 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.083 -0.640 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.343 -3.425 8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.362 -4.598 7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.374 -2.137 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.077 -3.868 6.572 1.00 0.00 H new ATOM 1357 N MET A 91 -3.294 3.852 10.670 1.00 0.00 N ATOM 1358 CA MET A 91 -2.018 4.182 11.296 1.00 0.00 C ATOM 1359 C MET A 91 -2.198 4.625 12.739 1.00 0.00 C ATOM 1360 O MET A 91 -3.256 5.132 13.120 1.00 0.00 O ATOM 1361 CB MET A 91 -1.296 5.279 10.508 1.00 0.00 C ATOM 1362 CG MET A 91 -2.048 6.598 10.458 1.00 0.00 C ATOM 1363 SD MET A 91 -1.086 7.912 9.687 1.00 0.00 S ATOM 1364 CE MET A 91 0.291 8.018 10.827 1.00 0.00 C ATOM 0 H MET A 91 -3.592 4.514 9.953 1.00 0.00 H new ATOM 0 HA MET A 91 -1.413 3.275 11.289 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.316 5.448 10.954 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.127 4.930 9.489 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.978 6.462 9.906 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.319 6.897 11.471 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.761 8.997 10.739 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.069 7.878 11.846 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.020 7.243 10.590 1.00 0.00 H new ATOM 1374 N THR A 92 -1.160 4.422 13.531 1.00 0.00 N ATOM 1375 CA THR A 92 -1.166 4.826 14.923 1.00 0.00 C ATOM 1376 C THR A 92 -0.757 6.293 15.055 1.00 0.00 C ATOM 1377 O THR A 92 0.365 6.665 14.709 1.00 0.00 O ATOM 1378 CB THR A 92 -0.199 3.959 15.750 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.280 2.591 15.323 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.530 4.051 17.230 1.00 0.00 C ATOM 0 H THR A 92 -0.295 3.975 13.228 1.00 0.00 H new ATOM 0 HA THR A 92 -2.179 4.693 15.302 1.00 0.00 H new ATOM 0 HB THR A 92 0.814 4.329 15.593 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.204 2.483 14.478 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.164 3.431 17.797 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.444 5.087 17.558 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.549 3.701 17.397 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.665 7.148 15.542 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.378 8.569 15.736 1.00 0.00 C ATOM 1390 C PRO A 93 -0.498 8.814 16.960 1.00 0.00 C ATOM 1391 O PRO A 93 -0.438 7.985 17.874 1.00 0.00 O ATOM 1392 CB PRO A 93 -2.765 9.179 15.936 1.00 0.00 C ATOM 1393 CG PRO A 93 -3.582 8.077 16.519 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.042 6.798 15.937 1.00 0.00 C ATOM 0 HA PRO A 93 -0.827 9.000 14.900 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.727 10.040 16.604 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.185 9.527 14.992 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.508 8.071 17.606 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.636 8.202 16.272 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.056 5.989 16.667 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.632 6.466 15.082 1.00 0.00 H new ATOM 1402 N HIS A 94 0.188 9.949 16.981 1.00 0.00 N ATOM 1403 CA HIS A 94 1.044 10.280 18.109 1.00 0.00 C ATOM 1404 C HIS A 94 0.252 11.078 19.140 1.00 0.00 C ATOM 1405 O HIS A 94 -0.414 12.056 18.805 1.00 0.00 O ATOM 1406 CB HIS A 94 2.316 11.032 17.660 1.00 0.00 C ATOM 1407 CG HIS A 94 2.115 12.461 17.234 1.00 0.00 C ATOM 1408 ND1 HIS A 94 1.933 12.846 15.922 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.101 13.605 17.960 1.00 0.00 C ATOM 1410 CE1 HIS A 94 1.816 14.160 15.864 1.00 0.00 C ATOM 1411 NE2 HIS A 94 1.915 14.644 17.087 1.00 0.00 N ATOM 0 H HIS A 94 0.169 10.648 16.238 1.00 0.00 H new ATOM 0 HA HIS A 94 1.381 9.352 18.572 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.034 11.015 18.480 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.765 10.485 16.831 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.216 13.683 19.031 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.665 14.741 14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.862 15.630 17.341 1.00 0.00 H new ATOM 1420 N ASN A 95 0.306 10.642 20.388 1.00 0.00 N ATOM 1421 CA ASN A 95 -0.446 11.298 21.454 1.00 0.00 C ATOM 1422 C ASN A 95 0.408 12.350 22.151 1.00 0.00 C ATOM 1423 O ASN A 95 -0.095 13.149 22.940 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.954 10.273 22.476 1.00 0.00 C ATOM 1425 CG ASN A 95 0.169 9.534 23.179 1.00 0.00 C ATOM 1426 OD1 ASN A 95 0.675 9.978 24.210 1.00 0.00 O ATOM 1427 ND2 ASN A 95 0.558 8.391 22.636 1.00 0.00 N ATOM 0 H ASN A 95 0.859 9.840 20.691 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.305 11.791 21.000 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.568 10.782 23.219 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.597 9.552 21.971 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.301 7.846 23.073 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.115 8.056 21.781 1.00 0.00 H new ATOM 1434 N GLY A 96 1.697 12.352 21.849 1.00 0.00 N ATOM 1435 CA GLY A 96 2.597 13.295 22.474 1.00 0.00 C ATOM 1436 C GLY A 96 3.748 13.670 21.567 1.00 0.00 C ATOM 1437 O GLY A 96 3.880 13.118 20.474 1.00 0.00 O ATOM 0 H GLY A 96 2.135 11.717 21.182 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.045 14.194 22.750 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.988 12.866 23.396 1.00 0.00 H new ATOM 1441 N PRO A 97 4.598 14.608 22.001 1.00 0.00 N ATOM 1442 CA PRO A 97 5.738 15.087 21.227 1.00 0.00 C ATOM 1443 C PRO A 97 6.954 14.179 21.373 1.00 0.00 C ATOM 1444 O PRO A 97 7.505 14.029 22.469 1.00 0.00 O ATOM 1445 CB PRO A 97 6.035 16.468 21.832 1.00 0.00 C ATOM 1446 CG PRO A 97 5.091 16.639 22.985 1.00 0.00 C ATOM 1447 CD PRO A 97 4.522 15.284 23.292 1.00 0.00 C ATOM 0 HA PRO A 97 5.519 15.113 20.160 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.071 16.531 22.166 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.890 17.255 21.092 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.612 17.044 23.853 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.297 17.342 22.732 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.100 14.765 24.056 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.497 15.348 23.657 1.00 0.00 H new ATOM 1455 N ILE A 98 7.369 13.579 20.270 1.00 0.00 N ATOM 1456 CA ILE A 98 8.515 12.685 20.270 1.00 0.00 C ATOM 1457 C ILE A 98 9.782 13.434 19.865 1.00 0.00 C ATOM 1458 O ILE A 98 9.794 14.149 18.859 1.00 0.00 O ATOM 1459 CB ILE A 98 8.290 11.495 19.312 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.042 10.715 19.733 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.511 10.585 19.284 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.741 9.519 18.857 1.00 0.00 C ATOM 0 H ILE A 98 6.927 13.696 19.358 1.00 0.00 H new ATOM 0 HA ILE A 98 8.634 12.302 21.283 1.00 0.00 H new ATOM 0 HB ILE A 98 8.138 11.882 18.304 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.167 10.377 20.762 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.184 11.387 19.720 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.330 9.754 18.603 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.379 11.150 18.944 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.700 10.199 20.286 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.843 9.019 19.220 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.583 9.850 17.831 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.580 8.824 18.888 1.00 0.00 H new ATOM 1474 N PRO A 99 10.852 13.308 20.665 1.00 0.00 N ATOM 1475 CA PRO A 99 12.148 13.915 20.352 1.00 0.00 C ATOM 1476 C PRO A 99 12.761 13.338 19.075 1.00 0.00 C ATOM 1477 O PRO A 99 13.179 12.180 19.033 1.00 0.00 O ATOM 1478 CB PRO A 99 13.015 13.588 21.572 1.00 0.00 C ATOM 1479 CG PRO A 99 12.342 12.436 22.236 1.00 0.00 C ATOM 1480 CD PRO A 99 10.877 12.579 21.945 1.00 0.00 C ATOM 0 HA PRO A 99 12.061 14.985 20.166 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.032 13.331 21.274 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.086 14.443 22.245 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.724 11.489 21.853 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.528 12.444 23.310 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.387 11.609 21.864 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.363 13.131 22.732 1.00 0.00 H new ATOM 1488 N ARG A 100 12.787 14.159 18.037 1.00 0.00 N ATOM 1489 CA ARG A 100 13.310 13.762 16.739 1.00 0.00 C ATOM 1490 C ARG A 100 14.823 13.968 16.709 1.00 0.00 C ATOM 1491 O ARG A 100 15.305 15.098 16.790 1.00 0.00 O ATOM 1492 CB ARG A 100 12.596 14.581 15.648 1.00 0.00 C ATOM 1493 CG ARG A 100 12.998 14.261 14.215 1.00 0.00 C ATOM 1494 CD ARG A 100 14.212 15.063 13.772 1.00 0.00 C ATOM 1495 NE ARG A 100 14.028 16.503 13.969 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.012 17.397 13.882 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.226 17.022 13.495 1.00 0.00 N ATOM 1498 NH2 ARG A 100 14.774 18.674 14.158 1.00 0.00 N ATOM 0 H ARG A 100 12.446 15.120 18.071 1.00 0.00 H new ATOM 0 HA ARG A 100 13.122 12.704 16.554 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.522 14.427 15.748 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.784 15.639 15.831 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.215 13.196 14.128 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.162 14.471 13.548 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.088 14.731 14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.411 14.865 12.719 1.00 0.00 H new ATOM 0 HE ARG A 100 13.090 16.841 14.186 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.408 16.046 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.976 17.710 13.430 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.838 18.970 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.527 19.359 14.092 1.00 0.00 H new ATOM 1512 N TYR A 101 15.571 12.877 16.604 1.00 0.00 N ATOM 1513 CA TYR A 101 17.027 12.943 16.700 1.00 0.00 C ATOM 1514 C TYR A 101 17.701 12.851 15.336 1.00 0.00 C ATOM 1515 O TYR A 101 18.914 13.033 15.231 1.00 0.00 O ATOM 1516 CB TYR A 101 17.562 11.836 17.606 1.00 0.00 C ATOM 1517 CG TYR A 101 17.124 11.958 19.045 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.555 13.015 19.834 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.290 11.011 19.616 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.164 13.126 21.154 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.893 11.115 20.936 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.333 12.173 21.700 1.00 0.00 C ATOM 1523 OH TYR A 101 15.945 12.278 23.016 1.00 0.00 O ATOM 0 H TYR A 101 15.198 11.940 16.453 1.00 0.00 H new ATOM 0 HA TYR A 101 17.266 13.915 17.130 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.234 10.872 17.217 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.651 11.842 17.566 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.207 13.763 19.409 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.945 10.179 19.021 1.00 0.00 H new ATOM 0 HE1 TYR A 101 17.508 13.955 21.754 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.241 10.370 21.366 1.00 0.00 H new ATOM 0 HH TYR A 101 15.359 11.527 23.245 1.00 0.00 H new ATOM 1533 N VAL A 102 16.930 12.548 14.303 1.00 0.00 N ATOM 1534 CA VAL A 102 17.477 12.476 12.950 1.00 0.00 C ATOM 1535 C VAL A 102 17.727 13.870 12.377 1.00 0.00 C ATOM 1536 O VAL A 102 16.780 14.676 12.318 1.00 0.00 O ATOM 1537 CB VAL A 102 16.580 11.662 11.988 1.00 0.00 C ATOM 1538 CG1 VAL A 102 16.695 10.178 12.288 1.00 0.00 C ATOM 1539 CG2 VAL A 102 15.125 12.105 12.071 1.00 0.00 C ATOM 1540 OXT VAL A 102 18.879 14.155 11.980 1.00 0.00 O ATOM 0 H VAL A 102 15.932 12.349 14.370 1.00 0.00 H new ATOM 0 HA VAL A 102 18.429 11.952 13.035 1.00 0.00 H new ATOM 0 HB VAL A 102 16.928 11.848 10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 102 16.058 9.618 11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 102 17.730 9.861 12.163 1.00 0.00 H new ATOM 0 HG13 VAL A 102 16.379 9.989 13.314 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.524 11.512 11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.759 11.962 13.088 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.050 13.159 11.803 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.381 -11.110 6.714 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.148 -6.695 20.005 1.00 0.00 ZN