USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 484 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 14:sc= 1.85 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -0.719 K(o=-0.72,f=-4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -168:sc= -0.863 (180deg=-1.5!) USER MOD Single : A 47 MET CE :methyl 164:sc= 0 (180deg=-0.29) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 76:sc= 0.118 USER MOD Single : A 61 GLN : amide:sc= -0.659 K(o=-0.66,f=-5.4!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 68 SER OG : rot -16:sc= 0.618 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.226 12.028 6.107 1.00 0.00 N ATOM 2 CA GLY A 1 20.202 13.051 5.779 1.00 0.00 C ATOM 3 C GLY A 1 19.801 13.869 4.568 1.00 0.00 C ATOM 4 O GLY A 1 20.504 13.882 3.558 1.00 0.00 O ATOM 0 H1 GLY A 1 19.547 11.497 6.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.310 12.475 6.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.121 11.378 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.330 13.714 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.168 12.581 5.592 1.00 0.00 H new ATOM 8 N SER A 2 18.666 14.553 4.668 1.00 0.00 N ATOM 9 CA SER A 2 18.169 15.374 3.570 1.00 0.00 C ATOM 10 C SER A 2 17.018 16.262 4.033 1.00 0.00 C ATOM 11 O SER A 2 16.119 15.812 4.743 1.00 0.00 O ATOM 12 CB SER A 2 17.709 14.488 2.411 1.00 0.00 C ATOM 13 OG SER A 2 17.505 15.251 1.235 1.00 0.00 O ATOM 0 H SER A 2 18.073 14.555 5.498 1.00 0.00 H new ATOM 0 HA SER A 2 18.984 16.013 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.454 13.715 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.784 13.979 2.683 1.00 0.00 H new ATOM 0 HG SER A 2 17.213 14.661 0.509 1.00 0.00 H new ATOM 19 N SER A 3 17.054 17.527 3.626 1.00 0.00 N ATOM 20 CA SER A 3 16.017 18.481 4.002 1.00 0.00 C ATOM 21 C SER A 3 14.629 17.878 3.810 1.00 0.00 C ATOM 22 O SER A 3 14.299 17.382 2.733 1.00 0.00 O ATOM 23 CB SER A 3 16.149 19.761 3.175 1.00 0.00 C ATOM 24 OG SER A 3 17.167 20.600 3.692 1.00 0.00 O ATOM 0 H SER A 3 17.790 17.915 3.036 1.00 0.00 H new ATOM 0 HA SER A 3 16.145 18.724 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.374 19.507 2.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.199 20.296 3.173 1.00 0.00 H new ATOM 0 HG SER A 3 17.232 21.410 3.145 1.00 0.00 H new ATOM 30 N GLY A 4 13.819 17.926 4.863 1.00 0.00 N ATOM 31 CA GLY A 4 12.476 17.382 4.791 1.00 0.00 C ATOM 32 C GLY A 4 11.842 17.220 6.158 1.00 0.00 C ATOM 33 O GLY A 4 12.539 17.174 7.172 1.00 0.00 O ATOM 0 H GLY A 4 14.069 18.332 5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.854 18.037 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.506 16.414 4.291 1.00 0.00 H new ATOM 37 N SER A 5 10.516 17.135 6.188 1.00 0.00 N ATOM 38 CA SER A 5 9.787 16.983 7.442 1.00 0.00 C ATOM 39 C SER A 5 8.729 15.890 7.326 1.00 0.00 C ATOM 40 O SER A 5 8.603 15.037 8.204 1.00 0.00 O ATOM 41 CB SER A 5 9.129 18.306 7.837 1.00 0.00 C ATOM 42 OG SER A 5 9.903 18.992 8.805 1.00 0.00 O ATOM 0 H SER A 5 9.924 17.169 5.358 1.00 0.00 H new ATOM 0 HA SER A 5 10.499 16.695 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.007 18.933 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.131 18.116 8.233 1.00 0.00 H new ATOM 0 HG SER A 5 9.462 19.835 9.039 1.00 0.00 H new ATOM 48 N SER A 6 7.970 15.923 6.235 1.00 0.00 N ATOM 49 CA SER A 6 6.919 14.938 6.005 1.00 0.00 C ATOM 50 C SER A 6 7.019 14.356 4.598 1.00 0.00 C ATOM 51 O SER A 6 6.669 15.011 3.617 1.00 0.00 O ATOM 52 CB SER A 6 5.542 15.573 6.210 1.00 0.00 C ATOM 53 OG SER A 6 4.662 14.678 6.868 1.00 0.00 O ATOM 0 H SER A 6 8.063 16.621 5.497 1.00 0.00 H new ATOM 0 HA SER A 6 7.049 14.129 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.643 16.486 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.122 15.858 5.245 1.00 0.00 H new ATOM 0 HG SER A 6 3.789 15.107 6.989 1.00 0.00 H new ATOM 59 N GLY A 7 7.499 13.120 4.508 1.00 0.00 N ATOM 60 CA GLY A 7 7.637 12.469 3.218 1.00 0.00 C ATOM 61 C GLY A 7 7.074 11.062 3.216 1.00 0.00 C ATOM 62 O GLY A 7 5.898 10.855 3.514 1.00 0.00 O ATOM 0 H GLY A 7 7.795 12.557 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.127 13.062 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.691 12.436 2.942 1.00 0.00 H new ATOM 66 N CYS A 8 7.916 10.091 2.876 1.00 0.00 N ATOM 67 CA CYS A 8 7.496 8.695 2.833 1.00 0.00 C ATOM 68 C CYS A 8 6.931 8.255 4.181 1.00 0.00 C ATOM 69 O CYS A 8 7.651 8.197 5.178 1.00 0.00 O ATOM 70 CB CYS A 8 8.673 7.799 2.444 1.00 0.00 C ATOM 71 SG CYS A 8 8.241 6.038 2.271 1.00 0.00 S ATOM 0 H CYS A 8 8.893 10.245 2.626 1.00 0.00 H new ATOM 0 HA CYS A 8 6.712 8.600 2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.090 8.154 1.502 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.455 7.898 3.196 1.00 0.00 H new ATOM 76 N ASP A 9 5.639 7.947 4.202 1.00 0.00 N ATOM 77 CA ASP A 9 4.977 7.511 5.427 1.00 0.00 C ATOM 78 C ASP A 9 5.176 6.015 5.648 1.00 0.00 C ATOM 79 O ASP A 9 4.270 5.320 6.109 1.00 0.00 O ATOM 80 CB ASP A 9 3.484 7.837 5.368 1.00 0.00 C ATOM 81 CG ASP A 9 2.944 8.319 6.700 1.00 0.00 C ATOM 82 OD1 ASP A 9 3.212 7.656 7.724 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.254 9.359 6.719 1.00 0.00 O ATOM 0 H ASP A 9 5.029 7.991 3.386 1.00 0.00 H new ATOM 0 HA ASP A 9 5.425 8.046 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.312 8.602 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.933 6.950 5.056 1.00 0.00 H new ATOM 88 N SER A 10 6.366 5.525 5.316 1.00 0.00 N ATOM 89 CA SER A 10 6.682 4.111 5.474 1.00 0.00 C ATOM 90 C SER A 10 8.054 3.929 6.115 1.00 0.00 C ATOM 91 O SER A 10 8.221 3.129 7.037 1.00 0.00 O ATOM 92 CB SER A 10 6.641 3.403 4.119 1.00 0.00 C ATOM 93 OG SER A 10 6.916 2.020 4.257 1.00 0.00 O ATOM 0 H SER A 10 7.127 6.087 4.936 1.00 0.00 H new ATOM 0 HA SER A 10 5.933 3.668 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.660 3.538 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.369 3.856 3.446 1.00 0.00 H new ATOM 0 HG SER A 10 6.882 1.590 3.377 1.00 0.00 H new ATOM 99 N CYS A 11 9.035 4.676 5.620 1.00 0.00 N ATOM 100 CA CYS A 11 10.394 4.599 6.142 1.00 0.00 C ATOM 101 C CYS A 11 10.853 5.957 6.667 1.00 0.00 C ATOM 102 O CYS A 11 12.046 6.259 6.674 1.00 0.00 O ATOM 103 CB CYS A 11 11.353 4.110 5.055 1.00 0.00 C ATOM 104 SG CYS A 11 11.525 5.251 3.646 1.00 0.00 S ATOM 0 H CYS A 11 8.914 5.342 4.857 1.00 0.00 H new ATOM 0 HA CYS A 11 10.399 3.889 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.335 3.947 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.006 3.145 4.687 1.00 0.00 H new ATOM 109 N GLU A 12 9.897 6.769 7.105 1.00 0.00 N ATOM 110 CA GLU A 12 10.204 8.094 7.631 1.00 0.00 C ATOM 111 C GLU A 12 11.343 8.740 6.849 1.00 0.00 C ATOM 112 O GLU A 12 12.341 9.173 7.426 1.00 0.00 O ATOM 113 CB GLU A 12 10.574 8.006 9.113 1.00 0.00 C ATOM 114 CG GLU A 12 9.376 7.818 10.030 1.00 0.00 C ATOM 115 CD GLU A 12 9.705 8.097 11.483 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.024 9.260 11.808 1.00 0.00 O ATOM 117 OE2 GLU A 12 9.643 7.151 12.297 1.00 0.00 O ATOM 0 H GLU A 12 8.905 6.533 7.106 1.00 0.00 H new ATOM 0 HA GLU A 12 9.314 8.714 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.265 7.176 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.103 8.915 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.571 8.479 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.007 6.797 9.934 1.00 0.00 H new ATOM 124 N LYS A 13 11.188 8.801 5.530 1.00 0.00 N ATOM 125 CA LYS A 13 12.202 9.394 4.666 1.00 0.00 C ATOM 126 C LYS A 13 11.556 10.178 3.528 1.00 0.00 C ATOM 127 O LYS A 13 10.538 9.763 2.975 1.00 0.00 O ATOM 128 CB LYS A 13 13.115 8.306 4.097 1.00 0.00 C ATOM 129 CG LYS A 13 13.830 7.493 5.162 1.00 0.00 C ATOM 130 CD LYS A 13 15.337 7.677 5.086 1.00 0.00 C ATOM 131 CE LYS A 13 16.032 7.087 6.304 1.00 0.00 C ATOM 132 NZ LYS A 13 16.826 5.876 5.957 1.00 0.00 N ATOM 0 H LYS A 13 10.369 8.447 5.036 1.00 0.00 H new ATOM 0 HA LYS A 13 12.798 10.083 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.522 7.634 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.857 8.770 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.475 7.792 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.585 6.438 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.718 7.201 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.572 8.739 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.688 7.837 6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.288 6.830 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.284 5.504 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.196 5.151 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.553 6.126 5.257 1.00 0.00 H new ATOM 146 N TYR A 14 12.156 11.312 3.183 1.00 0.00 N ATOM 147 CA TYR A 14 11.638 12.154 2.111 1.00 0.00 C ATOM 148 C TYR A 14 11.623 11.401 0.785 1.00 0.00 C ATOM 149 O TYR A 14 12.461 10.531 0.543 1.00 0.00 O ATOM 150 CB TYR A 14 12.481 13.424 1.980 1.00 0.00 C ATOM 151 CG TYR A 14 11.661 14.693 1.936 1.00 0.00 C ATOM 152 CD1 TYR A 14 10.645 14.919 2.856 1.00 0.00 C ATOM 153 CD2 TYR A 14 11.902 15.667 0.974 1.00 0.00 C ATOM 154 CE1 TYR A 14 9.892 16.077 2.820 1.00 0.00 C ATOM 155 CE2 TYR A 14 11.156 16.829 0.932 1.00 0.00 C ATOM 156 CZ TYR A 14 10.152 17.029 1.856 1.00 0.00 C ATOM 157 OH TYR A 14 9.406 18.184 1.816 1.00 0.00 O ATOM 0 H TYR A 14 13.001 11.669 3.630 1.00 0.00 H new ATOM 0 HA TYR A 14 10.614 12.429 2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.174 13.478 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.083 13.359 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.440 14.176 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.686 15.513 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.105 16.236 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.358 17.577 0.179 1.00 0.00 H new ATOM 0 HH TYR A 14 9.717 18.749 1.078 1.00 0.00 H new ATOM 167 N ILE A 15 10.665 11.741 -0.071 1.00 0.00 N ATOM 168 CA ILE A 15 10.541 11.098 -1.373 1.00 0.00 C ATOM 169 C ILE A 15 11.222 11.923 -2.460 1.00 0.00 C ATOM 170 O ILE A 15 11.777 11.378 -3.414 1.00 0.00 O ATOM 171 CB ILE A 15 9.065 10.883 -1.757 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.352 10.058 -0.684 1.00 0.00 C ATOM 173 CG2 ILE A 15 8.965 10.200 -3.112 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.357 10.855 0.130 1.00 0.00 C ATOM 0 H ILE A 15 9.964 12.458 0.114 1.00 0.00 H new ATOM 0 HA ILE A 15 11.032 10.128 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 15 8.577 11.855 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.835 9.226 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.096 9.628 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.916 10.055 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.442 10.822 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.465 9.233 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.890 10.206 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.872 11.672 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.591 11.263 -0.530 1.00 0.00 H new ATOM 186 N THR A 16 11.178 13.243 -2.309 1.00 0.00 N ATOM 187 CA THR A 16 11.790 14.145 -3.276 1.00 0.00 C ATOM 188 C THR A 16 11.343 13.814 -4.696 1.00 0.00 C ATOM 189 O THR A 16 11.845 12.876 -5.313 1.00 0.00 O ATOM 190 CB THR A 16 13.328 14.082 -3.207 1.00 0.00 C ATOM 191 OG1 THR A 16 13.784 12.783 -3.601 1.00 0.00 O ATOM 192 CG2 THR A 16 13.819 14.393 -1.801 1.00 0.00 C ATOM 0 H THR A 16 10.724 13.711 -1.525 1.00 0.00 H new ATOM 0 HA THR A 16 11.462 15.153 -3.020 1.00 0.00 H new ATOM 0 HB THR A 16 13.731 14.830 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.054 12.300 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.908 14.343 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.496 15.394 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.406 13.665 -1.102 1.00 0.00 H new ATOM 200 N GLY A 17 10.395 14.592 -5.209 1.00 0.00 N ATOM 201 CA GLY A 17 9.896 14.366 -6.553 1.00 0.00 C ATOM 202 C GLY A 17 8.490 13.799 -6.562 1.00 0.00 C ATOM 203 O GLY A 17 7.602 14.313 -5.882 1.00 0.00 O ATOM 0 H GLY A 17 9.964 15.375 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.909 15.306 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.564 13.681 -7.075 1.00 0.00 H new ATOM 207 N ARG A 18 8.287 12.738 -7.335 1.00 0.00 N ATOM 208 CA ARG A 18 6.978 12.103 -7.432 1.00 0.00 C ATOM 209 C ARG A 18 6.739 11.166 -6.252 1.00 0.00 C ATOM 210 O ARG A 18 7.675 10.567 -5.722 1.00 0.00 O ATOM 211 CB ARG A 18 6.861 11.326 -8.745 1.00 0.00 C ATOM 212 CG ARG A 18 7.669 10.039 -8.765 1.00 0.00 C ATOM 213 CD ARG A 18 7.946 9.578 -10.188 1.00 0.00 C ATOM 214 NE ARG A 18 9.363 9.676 -10.529 1.00 0.00 N ATOM 215 CZ ARG A 18 9.815 9.754 -11.775 1.00 0.00 C ATOM 216 NH1 ARG A 18 8.966 9.746 -12.794 1.00 0.00 N ATOM 217 NH2 ARG A 18 11.119 9.841 -12.005 1.00 0.00 N ATOM 0 H ARG A 18 9.012 12.300 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 18 6.220 12.886 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.812 11.090 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.189 11.964 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.612 10.192 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.128 9.260 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.615 8.546 -10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.363 10.181 -10.884 1.00 0.00 H new ATOM 0 HE ARG A 18 10.042 9.685 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.963 9.680 -12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.316 9.806 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.775 9.848 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.465 9.901 -12.963 1.00 0.00 H new ATOM 231 N VAL A 19 5.480 11.046 -5.843 1.00 0.00 N ATOM 232 CA VAL A 19 5.118 10.183 -4.726 1.00 0.00 C ATOM 233 C VAL A 19 3.826 9.427 -5.012 1.00 0.00 C ATOM 234 O VAL A 19 2.951 9.918 -5.727 1.00 0.00 O ATOM 235 CB VAL A 19 4.950 10.990 -3.425 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.036 12.048 -3.309 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.568 11.623 -3.365 1.00 0.00 C ATOM 0 H VAL A 19 4.693 11.536 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 19 5.933 9.470 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 19 5.049 10.309 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.901 12.608 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.014 11.566 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.973 12.729 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.467 12.189 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.437 12.292 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.808 10.842 -3.397 1.00 0.00 H new ATOM 247 N LEU A 20 3.711 8.228 -4.450 1.00 0.00 N ATOM 248 CA LEU A 20 2.524 7.403 -4.644 1.00 0.00 C ATOM 249 C LEU A 20 1.383 7.869 -3.744 1.00 0.00 C ATOM 250 O LEU A 20 1.282 7.454 -2.591 1.00 0.00 O ATOM 251 CB LEU A 20 2.847 5.935 -4.358 1.00 0.00 C ATOM 252 CG LEU A 20 3.546 5.170 -5.482 1.00 0.00 C ATOM 253 CD1 LEU A 20 4.313 3.982 -4.923 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.536 4.713 -6.525 1.00 0.00 C ATOM 0 H LEU A 20 4.425 7.806 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 20 2.208 7.504 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.476 5.889 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.917 5.419 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 20 4.257 5.841 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.804 3.450 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.064 4.334 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.622 3.309 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.051 4.170 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.800 4.059 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.032 5.582 -6.949 1.00 0.00 H new ATOM 266 N GLU A 21 0.527 8.731 -4.282 1.00 0.00 N ATOM 267 CA GLU A 21 -0.607 9.252 -3.528 1.00 0.00 C ATOM 268 C GLU A 21 -1.776 8.271 -3.557 1.00 0.00 C ATOM 269 O GLU A 21 -2.443 8.114 -4.580 1.00 0.00 O ATOM 270 CB GLU A 21 -1.047 10.604 -4.094 1.00 0.00 C ATOM 271 CG GLU A 21 -1.098 11.711 -3.054 1.00 0.00 C ATOM 272 CD GLU A 21 -1.575 13.030 -3.630 1.00 0.00 C ATOM 273 OE1 GLU A 21 -0.813 13.651 -4.400 1.00 0.00 O ATOM 274 OE2 GLU A 21 -2.710 13.442 -3.310 1.00 0.00 O ATOM 0 H GLU A 21 0.597 9.083 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.292 9.385 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.362 10.896 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.033 10.496 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.761 11.412 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.106 11.845 -2.622 1.00 0.00 H new ATOM 281 N ALA A 22 -2.018 7.614 -2.428 1.00 0.00 N ATOM 282 CA ALA A 22 -3.106 6.650 -2.323 1.00 0.00 C ATOM 283 C ALA A 22 -4.104 7.064 -1.246 1.00 0.00 C ATOM 284 O ALA A 22 -3.824 6.958 -0.053 1.00 0.00 O ATOM 285 CB ALA A 22 -2.555 5.262 -2.029 1.00 0.00 C ATOM 0 H ALA A 22 -1.475 7.732 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.631 6.626 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.379 4.552 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.887 4.958 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.004 5.281 -1.088 1.00 0.00 H new ATOM 291 N GLY A 23 -5.270 7.536 -1.677 1.00 0.00 N ATOM 292 CA GLY A 23 -6.291 7.960 -0.737 1.00 0.00 C ATOM 293 C GLY A 23 -5.987 9.310 -0.120 1.00 0.00 C ATOM 294 O GLY A 23 -6.613 10.312 -0.463 1.00 0.00 O ATOM 0 H GLY A 23 -5.525 7.632 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.253 8.006 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.384 7.215 0.054 1.00 0.00 H new ATOM 298 N GLU A 24 -5.023 9.337 0.795 1.00 0.00 N ATOM 299 CA GLU A 24 -4.639 10.575 1.464 1.00 0.00 C ATOM 300 C GLU A 24 -3.252 10.449 2.087 1.00 0.00 C ATOM 301 O GLU A 24 -2.907 11.181 3.015 1.00 0.00 O ATOM 302 CB GLU A 24 -5.663 10.938 2.541 1.00 0.00 C ATOM 303 CG GLU A 24 -5.748 9.921 3.667 1.00 0.00 C ATOM 304 CD GLU A 24 -5.259 10.475 4.991 1.00 0.00 C ATOM 305 OE1 GLU A 24 -5.866 11.446 5.490 1.00 0.00 O ATOM 306 OE2 GLU A 24 -4.268 9.936 5.529 1.00 0.00 O ATOM 0 H GLU A 24 -4.494 8.516 1.090 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.612 11.368 0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.408 11.911 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.645 11.038 2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.781 9.590 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.158 9.043 3.404 1.00 0.00 H new ATOM 313 N LYS A 25 -2.460 9.516 1.570 1.00 0.00 N ATOM 314 CA LYS A 25 -1.110 9.293 2.074 1.00 0.00 C ATOM 315 C LYS A 25 -0.096 9.303 0.934 1.00 0.00 C ATOM 316 O LYS A 25 -0.459 9.455 -0.233 1.00 0.00 O ATOM 317 CB LYS A 25 -1.037 7.961 2.824 1.00 0.00 C ATOM 318 CG LYS A 25 -1.952 7.894 4.034 1.00 0.00 C ATOM 319 CD LYS A 25 -1.182 8.107 5.327 1.00 0.00 C ATOM 320 CE LYS A 25 -1.982 7.643 6.535 1.00 0.00 C ATOM 321 NZ LYS A 25 -1.436 6.383 7.111 1.00 0.00 N ATOM 0 H LYS A 25 -2.730 8.902 0.802 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.867 10.103 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.295 7.153 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.010 7.791 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.731 8.651 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.450 6.925 4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.238 7.563 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.936 9.163 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.976 8.423 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.021 7.489 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.008 6.100 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.465 5.632 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.452 6.536 7.411 1.00 0.00 H new ATOM 335 N HIS A 26 1.177 9.139 1.280 1.00 0.00 N ATOM 336 CA HIS A 26 2.244 9.127 0.285 1.00 0.00 C ATOM 337 C HIS A 26 3.378 8.201 0.715 1.00 0.00 C ATOM 338 O HIS A 26 3.710 8.118 1.897 1.00 0.00 O ATOM 339 CB HIS A 26 2.781 10.542 0.065 1.00 0.00 C ATOM 340 CG HIS A 26 2.857 11.355 1.320 1.00 0.00 C ATOM 341 ND1 HIS A 26 3.351 10.861 2.509 1.00 0.00 N ATOM 342 CD2 HIS A 26 2.499 12.637 1.568 1.00 0.00 C ATOM 343 CE1 HIS A 26 3.292 11.803 3.433 1.00 0.00 C ATOM 344 NE2 HIS A 26 2.780 12.891 2.888 1.00 0.00 N ATOM 0 H HIS A 26 1.495 9.013 2.241 1.00 0.00 H new ATOM 0 HA HIS A 26 1.829 8.754 -0.652 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.775 10.480 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.143 11.056 -0.653 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.706 9.916 2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.072 13.331 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.609 11.701 4.460 1.00 0.00 H new ATOM 352 N TYR A 27 3.966 7.506 -0.252 1.00 0.00 N ATOM 353 CA TYR A 27 5.060 6.583 0.027 1.00 0.00 C ATOM 354 C TYR A 27 6.044 6.537 -1.138 1.00 0.00 C ATOM 355 O TYR A 27 5.765 7.048 -2.223 1.00 0.00 O ATOM 356 CB TYR A 27 4.514 5.181 0.303 1.00 0.00 C ATOM 357 CG TYR A 27 3.333 5.166 1.247 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.519 5.106 2.623 1.00 0.00 C ATOM 359 CD2 TYR A 27 2.031 5.211 0.764 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.444 5.092 3.490 1.00 0.00 C ATOM 361 CE2 TYR A 27 0.950 5.199 1.623 1.00 0.00 C ATOM 362 CZ TYR A 27 1.161 5.139 2.985 1.00 0.00 C ATOM 363 OH TYR A 27 0.086 5.125 3.844 1.00 0.00 O ATOM 0 H TYR A 27 3.704 7.564 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 27 5.588 6.941 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.220 4.723 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.311 4.566 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.522 5.070 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.862 5.256 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.607 5.045 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.056 5.236 1.231 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.746 5.164 3.328 1.00 0.00 H new ATOM 373 N HIS A 28 7.198 5.920 -0.905 1.00 0.00 N ATOM 374 CA HIS A 28 8.225 5.805 -1.934 1.00 0.00 C ATOM 375 C HIS A 28 7.732 4.956 -3.101 1.00 0.00 C ATOM 376 O HIS A 28 6.766 4.201 -2.987 1.00 0.00 O ATOM 377 CB HIS A 28 9.499 5.196 -1.347 1.00 0.00 C ATOM 378 CG HIS A 28 10.459 6.214 -0.814 1.00 0.00 C ATOM 379 ND1 HIS A 28 11.054 6.111 0.426 1.00 0.00 N ATOM 380 CD2 HIS A 28 10.929 7.360 -1.360 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.846 7.150 0.620 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.789 7.923 -0.450 1.00 0.00 N ATOM 0 H HIS A 28 7.445 5.492 -0.013 1.00 0.00 H new ATOM 0 HA HIS A 28 8.447 6.806 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.228 4.510 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.998 4.606 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.675 7.758 -2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.439 7.336 1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.301 8.796 -0.579 1.00 0.00 H new ATOM 390 N PRO A 29 8.409 5.081 -4.253 1.00 0.00 N ATOM 391 CA PRO A 29 8.057 4.332 -5.463 1.00 0.00 C ATOM 392 C PRO A 29 8.360 2.843 -5.333 1.00 0.00 C ATOM 393 O PRO A 29 7.947 2.041 -6.169 1.00 0.00 O ATOM 394 CB PRO A 29 8.941 4.965 -6.541 1.00 0.00 C ATOM 395 CG PRO A 29 10.105 5.524 -5.797 1.00 0.00 C ATOM 396 CD PRO A 29 9.571 5.962 -4.461 1.00 0.00 C ATOM 0 HA PRO A 29 6.990 4.387 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.259 4.226 -7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.407 5.745 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.888 4.775 -5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.546 6.363 -6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.313 5.841 -3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.282 7.013 -4.469 1.00 0.00 H new ATOM 404 N SER A 30 9.084 2.482 -4.278 1.00 0.00 N ATOM 405 CA SER A 30 9.445 1.089 -4.040 1.00 0.00 C ATOM 406 C SER A 30 8.820 0.580 -2.744 1.00 0.00 C ATOM 407 O SER A 30 8.407 -0.577 -2.653 1.00 0.00 O ATOM 408 CB SER A 30 10.966 0.937 -3.981 1.00 0.00 C ATOM 409 OG SER A 30 11.515 1.710 -2.927 1.00 0.00 O ATOM 0 H SER A 30 9.432 3.134 -3.575 1.00 0.00 H new ATOM 0 HA SER A 30 9.060 0.493 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.225 -0.112 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.403 1.248 -4.930 1.00 0.00 H new ATOM 0 HG SER A 30 12.488 1.595 -2.909 1.00 0.00 H new ATOM 415 N CYS A 31 8.755 1.451 -1.744 1.00 0.00 N ATOM 416 CA CYS A 31 8.183 1.092 -0.452 1.00 0.00 C ATOM 417 C CYS A 31 6.739 0.624 -0.609 1.00 0.00 C ATOM 418 O CYS A 31 6.333 -0.378 -0.019 1.00 0.00 O ATOM 419 CB CYS A 31 8.242 2.285 0.505 1.00 0.00 C ATOM 420 SG CYS A 31 9.914 2.657 1.126 1.00 0.00 S ATOM 0 H CYS A 31 9.092 2.412 -1.803 1.00 0.00 H new ATOM 0 HA CYS A 31 8.770 0.273 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.851 3.166 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.586 2.090 1.353 1.00 0.00 H new ATOM 425 N ALA A 32 5.968 1.355 -1.407 1.00 0.00 N ATOM 426 CA ALA A 32 4.571 1.013 -1.643 1.00 0.00 C ATOM 427 C ALA A 32 4.430 0.067 -2.830 1.00 0.00 C ATOM 428 O ALA A 32 4.781 0.414 -3.959 1.00 0.00 O ATOM 429 CB ALA A 32 3.751 2.274 -1.871 1.00 0.00 C ATOM 0 H ALA A 32 6.287 2.188 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 32 4.193 0.501 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.710 2.004 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.817 2.915 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.138 2.808 -2.739 1.00 0.00 H new ATOM 435 N LEU A 33 3.917 -1.130 -2.569 1.00 0.00 N ATOM 436 CA LEU A 33 3.731 -2.128 -3.617 1.00 0.00 C ATOM 437 C LEU A 33 2.447 -2.921 -3.391 1.00 0.00 C ATOM 438 O LEU A 33 2.046 -3.163 -2.253 1.00 0.00 O ATOM 439 CB LEU A 33 4.929 -3.077 -3.663 1.00 0.00 C ATOM 440 CG LEU A 33 6.309 -2.419 -3.646 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.371 -3.415 -3.210 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.642 -1.845 -5.016 1.00 0.00 C ATOM 0 H LEU A 33 3.622 -1.433 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 33 3.652 -1.607 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.862 -3.756 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.850 -3.686 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 33 6.292 -1.601 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.346 -2.928 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.140 -3.777 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.389 -4.255 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.628 -1.380 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.640 -2.645 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.897 -1.098 -5.288 1.00 0.00 H new ATOM 454 N CYS A 34 1.808 -3.324 -4.484 1.00 0.00 N ATOM 455 CA CYS A 34 0.571 -4.092 -4.407 1.00 0.00 C ATOM 456 C CYS A 34 0.770 -5.364 -3.588 1.00 0.00 C ATOM 457 O CYS A 34 1.522 -6.256 -3.980 1.00 0.00 O ATOM 458 CB CYS A 34 0.079 -4.448 -5.811 1.00 0.00 C ATOM 459 SG CYS A 34 -1.349 -5.579 -5.834 1.00 0.00 S ATOM 0 H CYS A 34 2.126 -3.131 -5.434 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.179 -3.476 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.190 -3.530 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.899 -4.903 -6.367 1.00 0.00 H new ATOM 464 N VAL A 35 0.090 -5.440 -2.448 1.00 0.00 N ATOM 465 CA VAL A 35 0.191 -6.602 -1.574 1.00 0.00 C ATOM 466 C VAL A 35 -0.133 -7.887 -2.328 1.00 0.00 C ATOM 467 O VAL A 35 0.350 -8.963 -1.977 1.00 0.00 O ATOM 468 CB VAL A 35 -0.754 -6.478 -0.364 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.475 -5.195 0.403 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.206 -6.534 -0.815 1.00 0.00 C ATOM 0 H VAL A 35 -0.537 -4.710 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 35 1.221 -6.642 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.572 -7.319 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.152 -5.125 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.555 -5.201 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.628 -4.338 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.860 -6.445 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.405 -5.714 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.395 -7.483 -1.316 1.00 0.00 H new ATOM 480 N ARG A 36 -0.954 -7.766 -3.367 1.00 0.00 N ATOM 481 CA ARG A 36 -1.343 -8.917 -4.171 1.00 0.00 C ATOM 482 C ARG A 36 -0.173 -9.411 -5.016 1.00 0.00 C ATOM 483 O ARG A 36 0.413 -10.458 -4.734 1.00 0.00 O ATOM 484 CB ARG A 36 -2.524 -8.559 -5.076 1.00 0.00 C ATOM 485 CG ARG A 36 -3.247 -9.770 -5.641 1.00 0.00 C ATOM 486 CD ARG A 36 -4.685 -9.839 -5.150 1.00 0.00 C ATOM 487 NE ARG A 36 -5.425 -10.931 -5.777 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.323 -12.200 -5.399 1.00 0.00 C ATOM 489 NH1 ARG A 36 -4.515 -12.536 -4.403 1.00 0.00 N ATOM 490 NH2 ARG A 36 -6.030 -13.137 -6.019 1.00 0.00 N ATOM 0 H ARG A 36 -1.362 -6.882 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.642 -9.716 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.233 -7.954 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.165 -7.943 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.235 -9.727 -6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.719 -10.678 -5.352 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.693 -9.970 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.186 -8.894 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.055 -10.707 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.970 -11.819 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.439 -13.512 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.652 -12.882 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.951 -14.111 -5.728 1.00 0.00 H new ATOM 504 N CYS A 37 0.164 -8.652 -6.054 1.00 0.00 N ATOM 505 CA CYS A 37 1.263 -9.012 -6.941 1.00 0.00 C ATOM 506 C CYS A 37 2.563 -8.353 -6.490 1.00 0.00 C ATOM 507 O CYS A 37 3.616 -8.988 -6.461 1.00 0.00 O ATOM 508 CB CYS A 37 0.941 -8.600 -8.379 1.00 0.00 C ATOM 509 SG CYS A 37 0.693 -6.809 -8.601 1.00 0.00 S ATOM 0 H CYS A 37 -0.309 -7.783 -6.301 1.00 0.00 H new ATOM 0 HA CYS A 37 1.391 -10.094 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.752 -8.927 -9.030 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.042 -9.124 -8.703 1.00 0.00 H new ATOM 514 N GLY A 38 2.481 -7.073 -6.139 1.00 0.00 N ATOM 515 CA GLY A 38 3.658 -6.349 -5.694 1.00 0.00 C ATOM 516 C GLY A 38 4.334 -5.594 -6.821 1.00 0.00 C ATOM 517 O GLY A 38 5.559 -5.488 -6.857 1.00 0.00 O ATOM 0 H GLY A 38 1.621 -6.525 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.374 -5.647 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.367 -7.050 -5.254 1.00 0.00 H new ATOM 521 N GLN A 39 3.534 -5.069 -7.743 1.00 0.00 N ATOM 522 CA GLN A 39 4.063 -4.321 -8.878 1.00 0.00 C ATOM 523 C GLN A 39 3.929 -2.819 -8.651 1.00 0.00 C ATOM 524 O GLN A 39 2.857 -2.329 -8.295 1.00 0.00 O ATOM 525 CB GLN A 39 3.337 -4.722 -10.163 1.00 0.00 C ATOM 526 CG GLN A 39 3.772 -6.071 -10.712 1.00 0.00 C ATOM 527 CD GLN A 39 4.560 -5.950 -12.001 1.00 0.00 C ATOM 528 OE1 GLN A 39 4.023 -6.144 -13.092 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.843 -5.628 -11.882 1.00 0.00 N ATOM 0 H GLN A 39 2.517 -5.148 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 39 5.122 -4.561 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.264 -4.746 -9.972 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.509 -3.958 -10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.379 -6.584 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.891 -6.689 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.247 -5.476 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.424 -5.533 -12.715 1.00 0.00 H new ATOM 538 N MET A 40 5.023 -2.094 -8.858 1.00 0.00 N ATOM 539 CA MET A 40 5.026 -0.647 -8.677 1.00 0.00 C ATOM 540 C MET A 40 3.931 0.008 -9.512 1.00 0.00 C ATOM 541 O MET A 40 3.326 -0.632 -10.372 1.00 0.00 O ATOM 542 CB MET A 40 6.390 -0.067 -9.058 1.00 0.00 C ATOM 543 CG MET A 40 7.516 -0.509 -8.138 1.00 0.00 C ATOM 544 SD MET A 40 8.534 -1.810 -8.863 1.00 0.00 S ATOM 545 CE MET A 40 8.562 -3.002 -7.526 1.00 0.00 C ATOM 0 H MET A 40 5.919 -2.484 -9.151 1.00 0.00 H new ATOM 0 HA MET A 40 4.831 -0.437 -7.625 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.629 -0.363 -10.080 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.329 1.021 -9.047 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.145 0.349 -7.901 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.094 -0.864 -7.198 1.00 0.00 H new ATOM 0 HE1 MET A 40 9.317 -3.761 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.801 -2.495 -6.591 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.585 -3.477 -7.441 1.00 0.00 H new ATOM 555 N PHE A 41 3.680 1.287 -9.253 1.00 0.00 N ATOM 556 CA PHE A 41 2.656 2.028 -9.980 1.00 0.00 C ATOM 557 C PHE A 41 3.229 3.317 -10.563 1.00 0.00 C ATOM 558 O PHE A 41 4.439 3.444 -10.748 1.00 0.00 O ATOM 559 CB PHE A 41 1.479 2.351 -9.058 1.00 0.00 C ATOM 560 CG PHE A 41 1.115 1.224 -8.134 1.00 0.00 C ATOM 561 CD1 PHE A 41 1.962 0.857 -7.101 1.00 0.00 C ATOM 562 CD2 PHE A 41 -0.074 0.532 -8.299 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.630 -0.179 -6.248 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.411 -0.505 -7.449 1.00 0.00 C ATOM 565 CZ PHE A 41 0.442 -0.862 -6.423 1.00 0.00 C ATOM 0 H PHE A 41 4.172 1.832 -8.545 1.00 0.00 H new ATOM 0 HA PHE A 41 2.304 1.403 -10.801 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.724 3.232 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.611 2.607 -9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.893 1.387 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.745 0.806 -9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.299 -0.454 -5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.341 -1.036 -7.587 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.181 -1.673 -5.759 1.00 0.00 H new ATOM 575 N ALA A 42 2.349 4.271 -10.851 1.00 0.00 N ATOM 576 CA ALA A 42 2.765 5.551 -11.411 1.00 0.00 C ATOM 577 C ALA A 42 2.464 6.695 -10.449 1.00 0.00 C ATOM 578 O ALA A 42 2.222 6.473 -9.263 1.00 0.00 O ATOM 579 CB ALA A 42 2.082 5.789 -12.749 1.00 0.00 C ATOM 0 H ALA A 42 1.343 4.181 -10.706 1.00 0.00 H new ATOM 0 HA ALA A 42 3.843 5.518 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.402 6.748 -13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.353 4.993 -13.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.001 5.797 -12.609 1.00 0.00 H new ATOM 585 N GLU A 43 2.480 7.919 -10.969 1.00 0.00 N ATOM 586 CA GLU A 43 2.210 9.097 -10.154 1.00 0.00 C ATOM 587 C GLU A 43 0.813 9.644 -10.436 1.00 0.00 C ATOM 588 O GLU A 43 0.637 10.841 -10.662 1.00 0.00 O ATOM 589 CB GLU A 43 3.257 10.181 -10.421 1.00 0.00 C ATOM 590 CG GLU A 43 3.218 10.729 -11.838 1.00 0.00 C ATOM 591 CD GLU A 43 3.334 12.240 -11.882 1.00 0.00 C ATOM 592 OE1 GLU A 43 4.474 12.749 -11.842 1.00 0.00 O ATOM 593 OE2 GLU A 43 2.285 12.913 -11.958 1.00 0.00 O ATOM 0 H GLU A 43 2.677 8.120 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 43 2.262 8.802 -9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.106 11.001 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.249 9.773 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.030 10.289 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.286 10.426 -12.315 1.00 0.00 H new ATOM 600 N GLY A 44 -0.178 8.757 -10.421 1.00 0.00 N ATOM 601 CA GLY A 44 -1.546 9.169 -10.676 1.00 0.00 C ATOM 602 C GLY A 44 -2.514 8.003 -10.663 1.00 0.00 C ATOM 603 O GLY A 44 -3.672 8.155 -10.276 1.00 0.00 O ATOM 0 H GLY A 44 -0.058 7.761 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.849 9.897 -9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.597 9.669 -11.643 1.00 0.00 H new ATOM 607 N GLU A 45 -2.039 6.836 -11.088 1.00 0.00 N ATOM 608 CA GLU A 45 -2.873 5.641 -11.125 1.00 0.00 C ATOM 609 C GLU A 45 -3.845 5.619 -9.949 1.00 0.00 C ATOM 610 O GLU A 45 -3.506 6.038 -8.843 1.00 0.00 O ATOM 611 CB GLU A 45 -2.002 4.383 -11.105 1.00 0.00 C ATOM 612 CG GLU A 45 -1.361 4.065 -12.445 1.00 0.00 C ATOM 613 CD GLU A 45 -2.308 4.278 -13.610 1.00 0.00 C ATOM 614 OE1 GLU A 45 -2.364 5.412 -14.130 1.00 0.00 O ATOM 615 OE2 GLU A 45 -2.993 3.310 -14.002 1.00 0.00 O ATOM 0 H GLU A 45 -1.082 6.693 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.449 5.660 -12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.219 4.506 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.611 3.535 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.479 4.691 -12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.020 3.030 -12.444 1.00 0.00 H new ATOM 622 N GLU A 46 -5.055 5.127 -10.198 1.00 0.00 N ATOM 623 CA GLU A 46 -6.077 5.052 -9.160 1.00 0.00 C ATOM 624 C GLU A 46 -6.363 3.601 -8.783 1.00 0.00 C ATOM 625 O GLU A 46 -6.716 2.786 -9.634 1.00 0.00 O ATOM 626 CB GLU A 46 -7.365 5.731 -9.631 1.00 0.00 C ATOM 627 CG GLU A 46 -7.258 7.245 -9.717 1.00 0.00 C ATOM 628 CD GLU A 46 -8.507 7.886 -10.289 1.00 0.00 C ATOM 629 OE1 GLU A 46 -9.080 7.319 -11.243 1.00 0.00 O ATOM 630 OE2 GLU A 46 -8.912 8.953 -9.783 1.00 0.00 O ATOM 0 H GLU A 46 -5.351 4.775 -11.108 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.702 5.572 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.636 5.338 -10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.174 5.470 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.069 7.649 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.401 7.510 -10.337 1.00 0.00 H new ATOM 637 N MET A 47 -6.207 3.288 -7.500 1.00 0.00 N ATOM 638 CA MET A 47 -6.449 1.936 -7.010 1.00 0.00 C ATOM 639 C MET A 47 -7.247 1.965 -5.710 1.00 0.00 C ATOM 640 O MET A 47 -7.418 3.019 -5.098 1.00 0.00 O ATOM 641 CB MET A 47 -5.123 1.205 -6.791 1.00 0.00 C ATOM 642 CG MET A 47 -4.106 2.014 -6.002 1.00 0.00 C ATOM 643 SD MET A 47 -2.407 1.508 -6.333 1.00 0.00 S ATOM 644 CE MET A 47 -1.622 3.098 -6.582 1.00 0.00 C ATOM 0 H MET A 47 -5.915 3.951 -6.782 1.00 0.00 H new ATOM 0 HA MET A 47 -7.030 1.402 -7.762 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.316 0.269 -6.267 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.696 0.946 -7.760 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.220 3.070 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.311 1.908 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 47 -0.540 2.984 -6.514 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.885 3.483 -7.567 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.962 3.796 -5.817 1.00 0.00 H new ATOM 654 N TYR A 48 -7.735 0.801 -5.296 1.00 0.00 N ATOM 655 CA TYR A 48 -8.518 0.693 -4.070 1.00 0.00 C ATOM 656 C TYR A 48 -7.609 0.565 -2.852 1.00 0.00 C ATOM 657 O TYR A 48 -6.503 0.031 -2.941 1.00 0.00 O ATOM 658 CB TYR A 48 -9.460 -0.510 -4.146 1.00 0.00 C ATOM 659 CG TYR A 48 -10.198 -0.619 -5.461 1.00 0.00 C ATOM 660 CD1 TYR A 48 -11.281 0.204 -5.744 1.00 0.00 C ATOM 661 CD2 TYR A 48 -9.811 -1.545 -6.422 1.00 0.00 C ATOM 662 CE1 TYR A 48 -11.958 0.107 -6.944 1.00 0.00 C ATOM 663 CE2 TYR A 48 -10.481 -1.648 -7.626 1.00 0.00 C ATOM 664 CZ TYR A 48 -11.554 -0.821 -7.882 1.00 0.00 C ATOM 665 OH TYR A 48 -12.225 -0.920 -9.079 1.00 0.00 O ATOM 0 H TYR A 48 -7.602 -0.081 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.109 1.603 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.885 -1.422 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.186 -0.444 -3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.599 0.932 -5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.972 -2.196 -6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.799 0.754 -7.147 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.166 -2.372 -8.362 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.814 -1.621 -9.627 1.00 0.00 H new ATOM 675 N LEU A 49 -8.083 1.059 -1.714 1.00 0.00 N ATOM 676 CA LEU A 49 -7.315 1.000 -0.475 1.00 0.00 C ATOM 677 C LEU A 49 -8.121 0.333 0.635 1.00 0.00 C ATOM 678 O LEU A 49 -9.134 0.866 1.085 1.00 0.00 O ATOM 679 CB LEU A 49 -6.898 2.407 -0.043 1.00 0.00 C ATOM 680 CG LEU A 49 -5.639 2.967 -0.705 1.00 0.00 C ATOM 681 CD1 LEU A 49 -5.980 3.619 -2.036 1.00 0.00 C ATOM 682 CD2 LEU A 49 -4.949 3.962 0.218 1.00 0.00 C ATOM 0 H LEU A 49 -8.996 1.505 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.422 0.403 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.725 3.088 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.746 2.404 1.036 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.953 2.141 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.071 4.012 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.429 2.879 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.685 4.434 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.055 4.351 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.629 4.785 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.669 3.464 1.146 1.00 0.00 H new ATOM 694 N GLN A 50 -7.662 -0.836 1.072 1.00 0.00 N ATOM 695 CA GLN A 50 -8.340 -1.575 2.130 1.00 0.00 C ATOM 696 C GLN A 50 -7.400 -1.831 3.304 1.00 0.00 C ATOM 697 O GLN A 50 -6.224 -2.140 3.114 1.00 0.00 O ATOM 698 CB GLN A 50 -8.876 -2.902 1.591 1.00 0.00 C ATOM 699 CG GLN A 50 -10.394 -2.979 1.561 1.00 0.00 C ATOM 700 CD GLN A 50 -10.904 -4.086 0.660 1.00 0.00 C ATOM 701 OE1 GLN A 50 -11.609 -3.831 -0.317 1.00 0.00 O ATOM 702 NE2 GLN A 50 -10.551 -5.324 0.984 1.00 0.00 N ATOM 0 H GLN A 50 -6.824 -1.291 0.710 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.176 -0.971 2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.493 -3.056 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.491 -3.716 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.766 -3.139 2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.796 -2.025 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.965 -5.490 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.865 -6.110 0.414 1.00 0.00 H new ATOM 711 N GLY A 51 -7.927 -1.699 4.517 1.00 0.00 N ATOM 712 CA GLY A 51 -7.121 -1.919 5.704 1.00 0.00 C ATOM 713 C GLY A 51 -5.780 -1.217 5.632 1.00 0.00 C ATOM 714 O GLY A 51 -4.803 -1.667 6.231 1.00 0.00 O ATOM 0 H GLY A 51 -8.898 -1.444 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.666 -1.566 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.961 -2.989 5.838 1.00 0.00 H new ATOM 718 N SER A 52 -5.731 -0.111 4.896 1.00 0.00 N ATOM 719 CA SER A 52 -4.498 0.652 4.743 1.00 0.00 C ATOM 720 C SER A 52 -3.511 -0.085 3.843 1.00 0.00 C ATOM 721 O SER A 52 -2.302 -0.053 4.071 1.00 0.00 O ATOM 722 CB SER A 52 -3.862 0.913 6.110 1.00 0.00 C ATOM 723 OG SER A 52 -3.491 2.274 6.248 1.00 0.00 O ATOM 0 H SER A 52 -6.531 0.277 4.396 1.00 0.00 H new ATOM 0 HA SER A 52 -4.746 1.606 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.564 0.642 6.899 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.984 0.279 6.233 1.00 0.00 H new ATOM 0 HG SER A 52 -3.089 2.416 7.130 1.00 0.00 H new ATOM 729 N SER A 53 -4.036 -0.749 2.818 1.00 0.00 N ATOM 730 CA SER A 53 -3.203 -1.498 1.885 1.00 0.00 C ATOM 731 C SER A 53 -3.495 -1.087 0.445 1.00 0.00 C ATOM 732 O SER A 53 -4.582 -0.598 0.137 1.00 0.00 O ATOM 733 CB SER A 53 -3.434 -3.001 2.055 1.00 0.00 C ATOM 734 OG SER A 53 -3.483 -3.358 3.426 1.00 0.00 O ATOM 0 H SER A 53 -5.035 -0.783 2.613 1.00 0.00 H new ATOM 0 HA SER A 53 -2.160 -1.271 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.367 -3.286 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.635 -3.553 1.561 1.00 0.00 H new ATOM 0 HG SER A 53 -4.345 -3.086 3.804 1.00 0.00 H new ATOM 740 N ILE A 54 -2.517 -1.289 -0.431 1.00 0.00 N ATOM 741 CA ILE A 54 -2.669 -0.940 -1.838 1.00 0.00 C ATOM 742 C ILE A 54 -3.146 -2.138 -2.653 1.00 0.00 C ATOM 743 O ILE A 54 -2.433 -3.132 -2.789 1.00 0.00 O ATOM 744 CB ILE A 54 -1.348 -0.421 -2.435 1.00 0.00 C ATOM 745 CG1 ILE A 54 -0.801 0.733 -1.592 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.556 0.021 -3.876 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.635 1.086 -1.911 1.00 0.00 C ATOM 0 H ILE A 54 -1.611 -1.692 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.417 -0.148 -1.888 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.619 -1.231 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.426 1.613 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.876 0.469 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.613 0.385 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.906 -0.824 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.298 0.819 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.956 1.912 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.271 0.220 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.713 1.381 -2.957 1.00 0.00 H new ATOM 759 N TRP A 55 -4.354 -2.035 -3.194 1.00 0.00 N ATOM 760 CA TRP A 55 -4.926 -3.109 -3.998 1.00 0.00 C ATOM 761 C TRP A 55 -5.168 -2.648 -5.431 1.00 0.00 C ATOM 762 O TRP A 55 -5.953 -1.731 -5.674 1.00 0.00 O ATOM 763 CB TRP A 55 -6.237 -3.596 -3.378 1.00 0.00 C ATOM 764 CG TRP A 55 -6.077 -4.108 -1.978 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.264 -3.405 -0.822 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.697 -5.432 -1.589 1.00 0.00 C ATOM 767 NE1 TRP A 55 -6.022 -4.213 0.263 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.674 -5.462 -0.180 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.377 -6.596 -2.292 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.342 -6.609 0.535 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -5.046 -7.734 -1.581 1.00 0.00 C ATOM 772 CH2 TRP A 55 -5.032 -7.735 -0.180 1.00 0.00 C ATOM 0 H TRP A 55 -4.957 -1.219 -3.091 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.213 -3.933 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.957 -2.778 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.654 -4.387 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.559 -2.367 -0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.090 -3.929 1.240 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.388 -6.606 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.329 -6.611 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.794 -8.638 -2.115 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.772 -8.641 0.346 1.00 0.00 H new ATOM 783 N HIS A 56 -4.488 -3.288 -6.377 1.00 0.00 N ATOM 784 CA HIS A 56 -4.630 -2.943 -7.787 1.00 0.00 C ATOM 785 C HIS A 56 -6.095 -2.987 -8.212 1.00 0.00 C ATOM 786 O HIS A 56 -6.949 -3.548 -7.525 1.00 0.00 O ATOM 787 CB HIS A 56 -3.807 -3.897 -8.653 1.00 0.00 C ATOM 788 CG HIS A 56 -2.451 -3.368 -9.004 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.293 -4.101 -8.845 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.070 -2.171 -9.509 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.260 -3.377 -9.236 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.704 -2.202 -9.644 1.00 0.00 N ATOM 0 H HIS A 56 -3.833 -4.048 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.260 -1.927 -7.926 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.693 -4.845 -8.127 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.356 -4.106 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.720 -1.345 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.773 -3.692 -9.224 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.126 -1.441 -10.001 1.00 0.00 H new ATOM 800 N PRO A 57 -6.394 -2.381 -9.370 1.00 0.00 N ATOM 801 CA PRO A 57 -7.756 -2.337 -9.912 1.00 0.00 C ATOM 802 C PRO A 57 -8.233 -3.704 -10.391 1.00 0.00 C ATOM 803 O PRO A 57 -9.416 -4.029 -10.290 1.00 0.00 O ATOM 804 CB PRO A 57 -7.637 -1.369 -11.092 1.00 0.00 C ATOM 805 CG PRO A 57 -6.207 -1.446 -11.502 1.00 0.00 C ATOM 806 CD PRO A 57 -5.427 -1.692 -10.241 1.00 0.00 C ATOM 0 HA PRO A 57 -8.484 -2.028 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.299 -1.657 -11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.912 -0.355 -10.801 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.050 -2.250 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.889 -0.521 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.546 -2.306 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.078 -0.760 -9.796 1.00 0.00 H new ATOM 814 N ALA A 58 -7.306 -4.501 -10.912 1.00 0.00 N ATOM 815 CA ALA A 58 -7.632 -5.833 -11.404 1.00 0.00 C ATOM 816 C ALA A 58 -7.417 -6.886 -10.322 1.00 0.00 C ATOM 817 O ALA A 58 -8.227 -7.799 -10.160 1.00 0.00 O ATOM 818 CB ALA A 58 -6.799 -6.160 -12.634 1.00 0.00 C ATOM 0 H ALA A 58 -6.323 -4.247 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.687 -5.843 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.053 -7.158 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.006 -5.431 -13.418 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.740 -6.125 -12.376 1.00 0.00 H new ATOM 824 N CYS A 59 -6.320 -6.753 -9.584 1.00 0.00 N ATOM 825 CA CYS A 59 -5.996 -7.693 -8.518 1.00 0.00 C ATOM 826 C CYS A 59 -7.135 -7.781 -7.506 1.00 0.00 C ATOM 827 O CYS A 59 -7.701 -8.851 -7.284 1.00 0.00 O ATOM 828 CB CYS A 59 -4.705 -7.273 -7.813 1.00 0.00 C ATOM 829 SG CYS A 59 -3.236 -7.271 -8.891 1.00 0.00 S ATOM 0 H CYS A 59 -5.640 -6.002 -9.705 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.854 -8.676 -8.966 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.839 -6.274 -7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.526 -7.946 -6.974 1.00 0.00 H new ATOM 834 N ARG A 60 -7.466 -6.647 -6.896 1.00 0.00 N ATOM 835 CA ARG A 60 -8.536 -6.596 -5.907 1.00 0.00 C ATOM 836 C ARG A 60 -9.741 -7.412 -6.367 1.00 0.00 C ATOM 837 O ARG A 60 -10.216 -8.291 -5.649 1.00 0.00 O ATOM 838 CB ARG A 60 -8.955 -5.147 -5.653 1.00 0.00 C ATOM 839 CG ARG A 60 -9.951 -4.991 -4.515 1.00 0.00 C ATOM 840 CD ARG A 60 -11.361 -4.761 -5.037 1.00 0.00 C ATOM 841 NE ARG A 60 -12.199 -4.068 -4.063 1.00 0.00 N ATOM 842 CZ ARG A 60 -13.284 -3.374 -4.388 1.00 0.00 C ATOM 843 NH1 ARG A 60 -13.661 -3.283 -5.656 1.00 0.00 N ATOM 844 NH2 ARG A 60 -13.995 -2.771 -3.444 1.00 0.00 N ATOM 0 H ARG A 60 -7.009 -5.752 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.160 -7.027 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.067 -4.555 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.391 -4.739 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.934 -5.884 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.655 -4.154 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.316 -4.178 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.815 -5.719 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.937 -4.120 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.118 -3.746 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.495 -2.750 -5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.709 -2.840 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.828 -2.238 -3.695 1.00 0.00 H new ATOM 858 N GLN A 61 -10.228 -7.112 -7.567 1.00 0.00 N ATOM 859 CA GLN A 61 -11.378 -7.817 -8.121 1.00 0.00 C ATOM 860 C GLN A 61 -11.360 -9.288 -7.718 1.00 0.00 C ATOM 861 O GLN A 61 -12.394 -9.859 -7.371 1.00 0.00 O ATOM 862 CB GLN A 61 -11.392 -7.694 -9.645 1.00 0.00 C ATOM 863 CG GLN A 61 -11.730 -6.297 -10.140 1.00 0.00 C ATOM 864 CD GLN A 61 -13.204 -5.971 -10.004 1.00 0.00 C ATOM 865 OE1 GLN A 61 -13.880 -6.463 -9.100 1.00 0.00 O ATOM 866 NE2 GLN A 61 -13.712 -5.136 -10.903 1.00 0.00 N ATOM 0 H GLN A 61 -9.845 -6.387 -8.173 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.282 -7.360 -7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.415 -7.981 -10.033 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.117 -8.400 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.147 -5.566 -9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.436 -6.205 -11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.116 -4.751 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.698 -4.879 -10.861 1.00 0.00 H new ATOM 875 N ALA A 62 -10.180 -9.896 -7.767 1.00 0.00 N ATOM 876 CA ALA A 62 -10.028 -11.300 -7.406 1.00 0.00 C ATOM 877 C ALA A 62 -9.949 -11.472 -5.893 1.00 0.00 C ATOM 878 O ALA A 62 -10.617 -12.333 -5.321 1.00 0.00 O ATOM 879 CB ALA A 62 -8.791 -11.886 -8.071 1.00 0.00 C ATOM 0 H ALA A 62 -9.315 -9.438 -8.053 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.907 -11.838 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.690 -12.935 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.888 -11.806 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.908 -11.337 -7.744 1.00 0.00 H new ATOM 885 N ALA A 63 -9.127 -10.648 -5.251 1.00 0.00 N ATOM 886 CA ALA A 63 -8.962 -10.709 -3.804 1.00 0.00 C ATOM 887 C ALA A 63 -10.081 -9.956 -3.091 1.00 0.00 C ATOM 888 O ALA A 63 -9.840 -9.243 -2.117 1.00 0.00 O ATOM 889 CB ALA A 63 -7.606 -10.146 -3.403 1.00 0.00 C ATOM 0 H ALA A 63 -8.565 -9.931 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.013 -11.755 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.496 -10.198 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.816 -10.729 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.533 -9.107 -3.726 1.00 0.00 H new ATOM 895 N ARG A 64 -11.304 -10.119 -3.584 1.00 0.00 N ATOM 896 CA ARG A 64 -12.460 -9.453 -2.996 1.00 0.00 C ATOM 897 C ARG A 64 -13.045 -10.284 -1.858 1.00 0.00 C ATOM 898 O ARG A 64 -13.126 -9.827 -0.717 1.00 0.00 O ATOM 899 CB ARG A 64 -13.529 -9.203 -4.061 1.00 0.00 C ATOM 900 CG ARG A 64 -13.610 -7.754 -4.514 1.00 0.00 C ATOM 901 CD ARG A 64 -14.947 -7.130 -4.148 1.00 0.00 C ATOM 902 NE ARG A 64 -15.426 -6.216 -5.182 1.00 0.00 N ATOM 903 CZ ARG A 64 -15.787 -6.608 -6.399 1.00 0.00 C ATOM 904 NH1 ARG A 64 -15.724 -7.889 -6.732 1.00 0.00 N ATOM 905 NH2 ARG A 64 -16.212 -5.716 -7.285 1.00 0.00 N ATOM 0 H ARG A 64 -11.520 -10.707 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.129 -8.496 -2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.323 -9.834 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.499 -9.507 -3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.803 -7.183 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.465 -7.700 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.684 -7.918 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.850 -6.592 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.487 -5.223 -4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.398 -8.577 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -16.002 -8.187 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.262 -4.729 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.489 -6.017 -8.219 1.00 0.00 H new ATOM 919 N THR A 65 -13.454 -11.509 -2.176 1.00 0.00 N ATOM 920 CA THR A 65 -14.034 -12.404 -1.183 1.00 0.00 C ATOM 921 C THR A 65 -12.989 -13.370 -0.637 1.00 0.00 C ATOM 922 O THR A 65 -12.800 -13.474 0.575 1.00 0.00 O ATOM 923 CB THR A 65 -15.207 -13.211 -1.770 1.00 0.00 C ATOM 924 OG1 THR A 65 -14.765 -13.959 -2.909 1.00 0.00 O ATOM 925 CG2 THR A 65 -16.349 -12.291 -2.173 1.00 0.00 C ATOM 0 H THR A 65 -13.394 -11.904 -3.115 1.00 0.00 H new ATOM 0 HA THR A 65 -14.405 -11.778 -0.372 1.00 0.00 H new ATOM 0 HB THR A 65 -15.568 -13.896 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.516 -14.471 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 -17.166 -12.884 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 65 -16.702 -11.745 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.999 -11.584 -2.925 1.00 0.00 H new ATOM 933 N GLU A 66 -12.313 -14.074 -1.539 1.00 0.00 N ATOM 934 CA GLU A 66 -11.286 -15.033 -1.146 1.00 0.00 C ATOM 935 C GLU A 66 -10.527 -14.543 0.084 1.00 0.00 C ATOM 936 O GLU A 66 -10.337 -13.341 0.271 1.00 0.00 O ATOM 937 CB GLU A 66 -10.311 -15.271 -2.300 1.00 0.00 C ATOM 938 CG GLU A 66 -9.210 -16.265 -1.971 1.00 0.00 C ATOM 939 CD GLU A 66 -9.751 -17.617 -1.548 1.00 0.00 C ATOM 940 OE1 GLU A 66 -10.695 -18.109 -2.201 1.00 0.00 O ATOM 941 OE2 GLU A 66 -9.229 -18.183 -0.565 1.00 0.00 O ATOM 0 H GLU A 66 -12.457 -13.999 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.778 -15.973 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.867 -15.631 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.858 -14.321 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.568 -16.392 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.588 -15.861 -1.172 1.00 0.00 H new ATOM 948 N ASP A 67 -10.095 -15.482 0.918 1.00 0.00 N ATOM 949 CA ASP A 67 -9.356 -15.147 2.130 1.00 0.00 C ATOM 950 C ASP A 67 -7.961 -15.765 2.103 1.00 0.00 C ATOM 951 O ASP A 67 -6.957 -15.054 2.116 1.00 0.00 O ATOM 952 CB ASP A 67 -10.117 -15.629 3.366 1.00 0.00 C ATOM 953 CG ASP A 67 -9.274 -15.568 4.625 1.00 0.00 C ATOM 954 OD1 ASP A 67 -8.312 -16.358 4.734 1.00 0.00 O ATOM 955 OD2 ASP A 67 -9.574 -14.729 5.500 1.00 0.00 O ATOM 0 H ASP A 67 -10.244 -16.481 0.777 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.253 -14.063 2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.010 -15.019 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.452 -16.654 3.206 1.00 0.00 H new ATOM 960 N SER A 68 -7.908 -17.092 2.067 1.00 0.00 N ATOM 961 CA SER A 68 -6.636 -17.806 2.043 1.00 0.00 C ATOM 962 C SER A 68 -5.905 -17.569 0.726 1.00 0.00 C ATOM 963 O SER A 68 -6.515 -17.554 -0.342 1.00 0.00 O ATOM 964 CB SER A 68 -6.864 -19.304 2.251 1.00 0.00 C ATOM 965 OG SER A 68 -7.635 -19.854 1.197 1.00 0.00 O ATOM 0 H SER A 68 -8.731 -17.695 2.054 1.00 0.00 H new ATOM 0 HA SER A 68 -6.018 -17.424 2.855 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.904 -19.817 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.371 -19.469 3.201 1.00 0.00 H new ATOM 0 HG SER A 68 -8.074 -19.131 0.701 1.00 0.00 H new ATOM 971 N GLY A 69 -4.591 -17.383 0.810 1.00 0.00 N ATOM 972 CA GLY A 69 -3.796 -17.149 -0.381 1.00 0.00 C ATOM 973 C GLY A 69 -2.413 -17.762 -0.285 1.00 0.00 C ATOM 974 O GLY A 69 -2.167 -18.870 -0.763 1.00 0.00 O ATOM 0 H GLY A 69 -4.063 -17.390 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.314 -17.562 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.704 -16.076 -0.547 1.00 0.00 H new ATOM 978 N PRO A 70 -1.480 -17.032 0.344 1.00 0.00 N ATOM 979 CA PRO A 70 -0.098 -17.490 0.515 1.00 0.00 C ATOM 980 C PRO A 70 0.010 -18.653 1.495 1.00 0.00 C ATOM 981 O PRO A 70 0.062 -18.452 2.708 1.00 0.00 O ATOM 982 CB PRO A 70 0.619 -16.256 1.068 1.00 0.00 C ATOM 983 CG PRO A 70 -0.451 -15.464 1.736 1.00 0.00 C ATOM 984 CD PRO A 70 -1.703 -15.703 0.938 1.00 0.00 C ATOM 0 HA PRO A 70 0.326 -17.864 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.403 -16.536 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.096 -15.685 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.582 -15.780 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.197 -14.404 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.591 -15.689 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.844 -14.939 0.173 1.00 0.00 H new ATOM 992 N SER A 71 0.044 -19.870 0.961 1.00 0.00 N ATOM 993 CA SER A 71 0.143 -21.066 1.790 1.00 0.00 C ATOM 994 C SER A 71 1.427 -21.050 2.614 1.00 0.00 C ATOM 995 O SER A 71 2.449 -20.519 2.181 1.00 0.00 O ATOM 996 CB SER A 71 0.099 -22.321 0.917 1.00 0.00 C ATOM 997 OG SER A 71 -0.461 -23.414 1.624 1.00 0.00 O ATOM 0 H SER A 71 0.004 -20.054 -0.042 1.00 0.00 H new ATOM 0 HA SER A 71 -0.706 -21.077 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.489 -22.124 0.021 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.107 -22.575 0.588 1.00 0.00 H new ATOM 0 HG SER A 71 -0.480 -24.204 1.044 1.00 0.00 H new ATOM 1003 N SER A 72 1.364 -21.637 3.805 1.00 0.00 N ATOM 1004 CA SER A 72 2.520 -21.689 4.693 1.00 0.00 C ATOM 1005 C SER A 72 2.189 -22.455 5.971 1.00 0.00 C ATOM 1006 O SER A 72 2.569 -22.048 7.068 1.00 0.00 O ATOM 1007 CB SER A 72 2.987 -20.274 5.040 1.00 0.00 C ATOM 1008 OG SER A 72 4.392 -20.229 5.217 1.00 0.00 O ATOM 0 H SER A 72 0.526 -22.083 4.177 1.00 0.00 H new ATOM 0 HA SER A 72 3.323 -22.212 4.174 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.695 -19.587 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.492 -19.937 5.951 1.00 0.00 H new ATOM 0 HG SER A 72 4.665 -19.314 5.436 1.00 0.00 H new ATOM 1014 N GLY A 73 1.478 -23.568 5.819 1.00 0.00 N ATOM 1015 CA GLY A 73 1.107 -24.374 6.967 1.00 0.00 C ATOM 1016 C GLY A 73 2.182 -25.374 7.345 1.00 0.00 C ATOM 1017 O GLY A 73 2.735 -26.023 6.458 1.00 0.00 O ATOM 0 H GLY A 73 1.152 -23.926 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.908 -23.721 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.181 -24.906 6.750 1.00 0.00 H new TER 1021 GLY A 73 HETATM 1022 ZN ZN A 201 10.176 4.814 1.867 1.00 0.00 ZN HETATM 1023 ZN ZN A 401 -1.448 -6.106 -8.117 1.00 0.00 ZN