USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 LYS NZ :NH3+ 167:sc= 0.154 (180deg=0.456) USER MOD Set 1.2: A 50 GLN : amide:sc= -1.94 K(o=-1.8,f=-4.5!) USER MOD Set 2.1: A 11 SER OG : rot 170:sc= 0.0034 USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= 0.00406 USER MOD Single : A 1 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.016) USER MOD Single : A 1 HIS N :NH3+ 166:sc= -0.0261 (180deg=-0.254) USER MOD Single : A 2 THR OG1 : rot -116:sc= -0.838 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -86:sc= 1.31 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -51:sc= 0.377 USER MOD Single : A 43 ASN : amide:sc= 1.01 K(o=1,f=-0.015) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00047 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.099 -1.739 6.755 1.00 0.00 N ATOM 2 CA HIS A 1 -0.616 -2.946 6.094 1.00 0.00 C ATOM 3 C HIS A 1 0.909 -2.965 6.044 1.00 0.00 C ATOM 4 O HIS A 1 1.504 -3.488 5.101 1.00 0.00 O ATOM 5 CB HIS A 1 -1.185 -3.040 4.678 1.00 0.00 C ATOM 6 CG HIS A 1 -0.845 -1.863 3.817 1.00 0.00 C ATOM 7 ND1 HIS A 1 -1.662 -0.759 3.695 1.00 0.00 N ATOM 8 CD2 HIS A 1 0.231 -1.621 3.033 1.00 0.00 C ATOM 9 CE1 HIS A 1 -1.104 0.111 2.872 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.047 -0.388 2.457 1.00 0.00 N ATOM 0 H1 HIS A 1 -2.117 -1.627 6.573 1.00 0.00 H new ATOM 0 H2 HIS A 1 -0.937 -1.816 7.779 1.00 0.00 H new ATOM 0 H3 HIS A 1 -0.588 -0.912 6.385 1.00 0.00 H new ATOM 0 HA HIS A 1 -0.954 -3.807 6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -0.810 -3.947 4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.269 -3.136 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.077 -2.276 2.887 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -1.518 1.067 2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 1 0.694 0.068 1.814 1.00 0.00 H new ATOM 18 N THR A 2 1.537 -2.390 7.065 1.00 0.00 N ATOM 19 CA THR A 2 2.992 -2.340 7.137 1.00 0.00 C ATOM 20 C THR A 2 3.574 -1.574 5.955 1.00 0.00 C ATOM 21 O THR A 2 4.232 -2.139 5.081 1.00 0.00 O ATOM 22 CB THR A 2 3.603 -3.753 7.169 1.00 0.00 C ATOM 23 OG1 THR A 2 2.993 -4.527 8.209 1.00 0.00 O ATOM 24 CG2 THR A 2 5.106 -3.689 7.392 1.00 0.00 C ATOM 0 H THR A 2 1.060 -1.952 7.854 1.00 0.00 H new ATOM 0 HA THR A 2 3.245 -1.823 8.063 1.00 0.00 H new ATOM 0 HB THR A 2 3.416 -4.227 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.666 -4.759 8.882 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.514 -4.699 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.570 -3.125 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.312 -3.197 8.342 1.00 0.00 H new ATOM 32 N PRO A 3 3.330 -0.255 5.924 1.00 0.00 N ATOM 33 CA PRO A 3 3.822 0.617 4.854 1.00 0.00 C ATOM 34 C PRO A 3 5.335 0.800 4.906 1.00 0.00 C ATOM 35 O PRO A 3 6.005 0.816 3.873 1.00 0.00 O ATOM 36 CB PRO A 3 3.114 1.946 5.125 1.00 0.00 C ATOM 37 CG PRO A 3 2.814 1.925 6.584 1.00 0.00 C ATOM 38 CD PRO A 3 2.553 0.486 6.933 1.00 0.00 C ATOM 0 HA PRO A 3 3.619 0.204 3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.748 2.793 4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.202 2.036 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.651 2.321 7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.948 2.545 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.882 0.252 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.491 0.245 6.879 1.00 0.00 H new ATOM 46 N THR A 4 5.869 0.937 6.116 1.00 0.00 N ATOM 47 CA THR A 4 7.303 1.119 6.302 1.00 0.00 C ATOM 48 C THR A 4 7.664 1.166 7.783 1.00 0.00 C ATOM 49 O THR A 4 6.824 1.432 8.643 1.00 0.00 O ATOM 50 CB THR A 4 7.798 2.411 5.624 1.00 0.00 C ATOM 51 OG1 THR A 4 6.688 3.267 5.332 1.00 0.00 O ATOM 52 CG2 THR A 4 8.552 2.094 4.342 1.00 0.00 C ATOM 0 H THR A 4 5.330 0.925 6.982 1.00 0.00 H new ATOM 0 HA THR A 4 7.793 0.263 5.838 1.00 0.00 H new ATOM 0 HB THR A 4 8.477 2.918 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.011 4.087 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.892 3.021 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.413 1.466 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.892 1.567 3.653 1.00 0.00 H new ATOM 60 N PRO A 5 8.942 0.901 8.090 1.00 0.00 N ATOM 61 CA PRO A 5 9.443 0.908 9.467 1.00 0.00 C ATOM 62 C PRO A 5 9.489 2.312 10.061 1.00 0.00 C ATOM 63 O PRO A 5 9.484 2.482 11.280 1.00 0.00 O ATOM 64 CB PRO A 5 10.857 0.337 9.333 1.00 0.00 C ATOM 65 CG PRO A 5 11.259 0.644 7.932 1.00 0.00 C ATOM 66 CD PRO A 5 9.998 0.575 7.116 1.00 0.00 C ATOM 0 HA PRO A 5 8.800 0.338 10.137 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.538 0.795 10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.870 -0.736 9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.714 1.632 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.997 -0.073 7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.015 1.285 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.853 -0.415 6.683 1.00 0.00 H new ATOM 74 N THR A 6 9.534 3.316 9.191 1.00 0.00 N ATOM 75 CA THR A 6 9.581 4.705 9.628 1.00 0.00 C ATOM 76 C THR A 6 8.420 5.504 9.049 1.00 0.00 C ATOM 77 O THR A 6 8.595 6.364 8.185 1.00 0.00 O ATOM 78 CB THR A 6 10.906 5.377 9.221 1.00 0.00 C ATOM 79 OG1 THR A 6 12.014 4.597 9.683 1.00 0.00 O ATOM 80 CG2 THR A 6 10.996 6.785 9.792 1.00 0.00 C ATOM 0 H THR A 6 9.539 3.192 8.179 1.00 0.00 H new ATOM 0 HA THR A 6 9.505 4.697 10.715 1.00 0.00 H new ATOM 0 HB THR A 6 10.937 5.440 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.852 5.031 9.418 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.940 7.240 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.168 7.385 9.414 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.945 6.740 10.880 1.00 0.00 H new ATOM 88 N PRO A 7 7.203 5.217 9.534 1.00 0.00 N ATOM 89 CA PRO A 7 5.988 5.899 9.079 1.00 0.00 C ATOM 90 C PRO A 7 5.934 7.353 9.536 1.00 0.00 C ATOM 91 O PRO A 7 6.584 7.731 10.510 1.00 0.00 O ATOM 92 CB PRO A 7 4.862 5.092 9.731 1.00 0.00 C ATOM 93 CG PRO A 7 5.487 4.474 10.934 1.00 0.00 C ATOM 94 CD PRO A 7 6.919 4.204 10.565 1.00 0.00 C ATOM 0 HA PRO A 7 5.927 5.940 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.024 5.732 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.475 4.333 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.425 5.142 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.975 3.552 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.582 4.308 11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.051 3.192 10.181 1.00 0.00 H new ATOM 102 N ILE A 8 5.155 8.162 8.826 1.00 0.00 N ATOM 103 CA ILE A 8 5.016 9.574 9.160 1.00 0.00 C ATOM 104 C ILE A 8 3.700 9.841 9.882 1.00 0.00 C ATOM 105 O ILE A 8 2.640 9.385 9.453 1.00 0.00 O ATOM 106 CB ILE A 8 5.087 10.460 7.902 1.00 0.00 C ATOM 107 CG1 ILE A 8 6.382 10.189 7.133 1.00 0.00 C ATOM 108 CG2 ILE A 8 4.989 11.930 8.283 1.00 0.00 C ATOM 109 CD1 ILE A 8 7.629 10.589 7.890 1.00 0.00 C ATOM 0 H ILE A 8 4.611 7.864 8.016 1.00 0.00 H new ATOM 0 HA ILE A 8 5.847 9.825 9.819 1.00 0.00 H new ATOM 0 HB ILE A 8 4.244 10.215 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.437 9.127 6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.353 10.728 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.041 12.543 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.042 12.112 8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.814 12.190 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.508 10.368 7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.596 11.657 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.682 10.031 8.825 1.00 0.00 H new ATOM 121 N CYS A 9 3.775 10.584 10.981 1.00 0.00 N ATOM 122 CA CYS A 9 2.590 10.914 11.764 1.00 0.00 C ATOM 123 C CYS A 9 2.384 12.425 11.828 1.00 0.00 C ATOM 124 O CYS A 9 3.292 13.200 11.528 1.00 0.00 O ATOM 125 CB CYS A 9 2.712 10.344 13.178 1.00 0.00 C ATOM 126 SG CYS A 9 1.917 8.720 13.396 1.00 0.00 S ATOM 0 H CYS A 9 4.644 10.969 11.350 1.00 0.00 H new ATOM 0 HA CYS A 9 1.725 10.468 11.274 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.768 10.257 13.433 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.271 11.050 13.882 1.00 0.00 H new ATOM 131 N LYS A 10 1.184 12.837 12.223 1.00 0.00 N ATOM 132 CA LYS A 10 0.857 14.253 12.330 1.00 0.00 C ATOM 133 C LYS A 10 0.469 14.616 13.760 1.00 0.00 C ATOM 134 O LYS A 10 -0.006 13.771 14.517 1.00 0.00 O ATOM 135 CB LYS A 10 -0.285 14.608 11.374 1.00 0.00 C ATOM 136 CG LYS A 10 -1.640 14.094 11.829 1.00 0.00 C ATOM 137 CD LYS A 10 -2.481 13.625 10.654 1.00 0.00 C ATOM 138 CE LYS A 10 -3.935 13.424 11.054 1.00 0.00 C ATOM 139 NZ LYS A 10 -4.592 12.363 10.242 1.00 0.00 N ATOM 0 H LYS A 10 0.421 12.209 12.475 1.00 0.00 H new ATOM 0 HA LYS A 10 1.743 14.826 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.334 15.692 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.063 14.199 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.501 13.271 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.169 14.883 12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.422 14.357 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.077 12.690 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.988 13.158 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.478 14.362 10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.581 12.256 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.564 12.628 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.090 11.462 10.376 1.00 0.00 H new ATOM 153 N SER A 11 0.673 15.879 14.121 1.00 0.00 N ATOM 154 CA SER A 11 0.346 16.353 15.461 1.00 0.00 C ATOM 155 C SER A 11 -0.056 17.825 15.433 1.00 0.00 C ATOM 156 O SER A 11 0.468 18.608 14.641 1.00 0.00 O ATOM 157 CB SER A 11 1.538 16.156 16.399 1.00 0.00 C ATOM 158 OG SER A 11 1.370 16.892 17.598 1.00 0.00 O ATOM 0 H SER A 11 1.063 16.592 13.505 1.00 0.00 H new ATOM 0 HA SER A 11 -0.498 15.771 15.830 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.651 15.097 16.631 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.454 16.472 15.900 1.00 0.00 H new ATOM 0 HG SER A 11 2.058 16.627 18.243 1.00 0.00 H new ATOM 164 N ARG A 12 -0.990 18.193 16.305 1.00 0.00 N ATOM 165 CA ARG A 12 -1.464 19.569 16.380 1.00 0.00 C ATOM 166 C ARG A 12 -0.749 20.330 17.493 1.00 0.00 C ATOM 167 O ARG A 12 -0.646 19.848 18.621 1.00 0.00 O ATOM 168 CB ARG A 12 -2.975 19.598 16.618 1.00 0.00 C ATOM 169 CG ARG A 12 -3.400 18.942 17.921 1.00 0.00 C ATOM 170 CD ARG A 12 -3.805 19.975 18.960 1.00 0.00 C ATOM 171 NE ARG A 12 -4.433 19.362 20.127 1.00 0.00 N ATOM 172 CZ ARG A 12 -5.164 20.036 21.008 1.00 0.00 C ATOM 173 NH1 ARG A 12 -5.358 21.338 20.854 1.00 0.00 N ATOM 174 NH2 ARG A 12 -5.703 19.406 22.044 1.00 0.00 N ATOM 0 H ARG A 12 -1.433 17.557 16.969 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.243 20.055 15.430 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.315 20.634 16.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.474 19.096 15.789 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.235 18.266 17.734 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.581 18.337 18.309 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.925 20.536 19.275 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.495 20.689 18.511 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.303 18.361 20.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.946 21.824 20.058 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.920 21.854 21.532 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.556 18.404 22.164 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.264 19.924 22.720 1.00 0.00 H new ATOM 188 N SER A 13 -0.256 21.521 17.167 1.00 0.00 N ATOM 189 CA SER A 13 0.453 22.347 18.137 1.00 0.00 C ATOM 190 C SER A 13 -0.524 23.194 18.946 1.00 0.00 C ATOM 191 O SER A 13 -1.738 23.012 18.863 1.00 0.00 O ATOM 192 CB SER A 13 1.464 23.250 17.427 1.00 0.00 C ATOM 193 OG SER A 13 2.774 23.038 17.925 1.00 0.00 O ATOM 0 H SER A 13 -0.335 21.935 16.238 1.00 0.00 H new ATOM 0 HA SER A 13 0.985 21.686 18.821 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.443 23.053 16.355 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.184 24.294 17.565 1.00 0.00 H new ATOM 0 HG SER A 13 2.916 23.594 18.719 1.00 0.00 H new ATOM 199 N HIS A 14 0.017 24.123 19.729 1.00 0.00 N ATOM 200 CA HIS A 14 -0.806 25.001 20.554 1.00 0.00 C ATOM 201 C HIS A 14 -0.230 26.413 20.586 1.00 0.00 C ATOM 202 O HIS A 14 -0.958 27.393 20.433 1.00 0.00 O ATOM 203 CB HIS A 14 -0.912 24.448 21.975 1.00 0.00 C ATOM 204 CG HIS A 14 -2.214 24.765 22.645 1.00 0.00 C ATOM 205 ND1 HIS A 14 -2.549 26.030 23.079 1.00 0.00 N ATOM 206 CD2 HIS A 14 -3.267 23.972 22.953 1.00 0.00 C ATOM 207 CE1 HIS A 14 -3.750 26.001 23.627 1.00 0.00 C ATOM 208 NE2 HIS A 14 -4.208 24.764 23.563 1.00 0.00 N ATOM 0 H HIS A 14 1.021 24.287 19.809 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.802 25.044 20.114 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.782 23.366 21.946 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.096 24.851 22.575 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.351 22.914 22.756 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.270 26.846 24.055 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.114 24.448 23.910 1.00 0.00 H new ATOM 216 N GLU A 15 1.080 26.508 20.788 1.00 0.00 N ATOM 217 CA GLU A 15 1.753 27.801 20.842 1.00 0.00 C ATOM 218 C GLU A 15 1.760 28.468 19.469 1.00 0.00 C ATOM 219 O GLU A 15 1.709 29.694 19.362 1.00 0.00 O ATOM 220 CB GLU A 15 3.187 27.635 21.348 1.00 0.00 C ATOM 221 CG GLU A 15 4.129 27.034 20.318 1.00 0.00 C ATOM 222 CD GLU A 15 4.731 28.078 19.398 1.00 0.00 C ATOM 223 OE1 GLU A 15 4.458 29.279 19.604 1.00 0.00 O ATOM 224 OE2 GLU A 15 5.475 27.694 18.472 1.00 0.00 O ATOM 0 H GLU A 15 1.697 25.706 20.917 1.00 0.00 H new ATOM 0 HA GLU A 15 1.204 28.439 21.534 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.570 28.608 21.655 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.180 27.001 22.235 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.930 26.502 20.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.588 26.299 19.722 1.00 0.00 H new ATOM 231 N TYR A 16 1.824 27.653 18.422 1.00 0.00 N ATOM 232 CA TYR A 16 1.842 28.164 17.057 1.00 0.00 C ATOM 233 C TYR A 16 0.472 28.012 16.401 1.00 0.00 C ATOM 234 O TYR A 16 0.368 27.646 15.230 1.00 0.00 O ATOM 235 CB TYR A 16 2.899 27.431 16.229 1.00 0.00 C ATOM 236 CG TYR A 16 3.624 28.322 15.246 1.00 0.00 C ATOM 237 CD1 TYR A 16 4.671 29.137 15.659 1.00 0.00 C ATOM 238 CD2 TYR A 16 3.262 28.350 13.905 1.00 0.00 C ATOM 239 CE1 TYR A 16 5.335 29.954 14.765 1.00 0.00 C ATOM 240 CE2 TYR A 16 3.921 29.162 13.004 1.00 0.00 C ATOM 241 CZ TYR A 16 4.957 29.963 13.438 1.00 0.00 C ATOM 242 OH TYR A 16 5.616 30.774 12.544 1.00 0.00 O ATOM 0 H TYR A 16 1.864 26.636 18.493 1.00 0.00 H new ATOM 0 HA TYR A 16 2.092 29.224 17.096 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.627 26.980 16.903 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.421 26.617 15.684 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.971 29.131 16.697 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.451 27.725 13.561 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.146 30.582 15.103 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.627 29.170 11.965 1.00 0.00 H new ATOM 0 HH TYR A 16 6.545 30.892 12.833 1.00 0.00 H new ATOM 252 N LYS A 17 -0.577 28.297 17.165 1.00 0.00 N ATOM 253 CA LYS A 17 -1.941 28.196 16.661 1.00 0.00 C ATOM 254 C LYS A 17 -2.514 29.577 16.358 1.00 0.00 C ATOM 255 O LYS A 17 -3.370 30.077 17.086 1.00 0.00 O ATOM 256 CB LYS A 17 -2.830 27.475 17.677 1.00 0.00 C ATOM 257 CG LYS A 17 -2.939 25.979 17.437 1.00 0.00 C ATOM 258 CD LYS A 17 -3.589 25.675 16.097 1.00 0.00 C ATOM 259 CE LYS A 17 -4.030 24.222 16.009 1.00 0.00 C ATOM 260 NZ LYS A 17 -2.946 23.344 15.490 1.00 0.00 N ATOM 0 H LYS A 17 -0.508 28.600 18.137 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.917 27.621 15.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.435 27.646 18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.828 27.913 17.649 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.946 25.531 17.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.522 25.523 18.237 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.450 26.327 15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.886 25.893 15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.337 23.875 16.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.902 24.146 15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.200 22.348 15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.822 23.511 14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.058 23.558 15.987 1.00 0.00 H new ATOM 274 N GLY A 18 -2.035 30.187 15.278 1.00 0.00 N ATOM 275 CA GLY A 18 -2.512 31.504 14.898 1.00 0.00 C ATOM 276 C GLY A 18 -1.855 32.016 13.632 1.00 0.00 C ATOM 277 O GLY A 18 -2.453 31.981 12.557 1.00 0.00 O ATOM 0 H GLY A 18 -1.326 29.793 14.660 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.592 31.468 14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.322 32.204 15.711 1.00 0.00 H new ATOM 281 N ARG A 19 -0.621 32.494 13.759 1.00 0.00 N ATOM 282 CA ARG A 19 0.117 33.018 12.616 1.00 0.00 C ATOM 283 C ARG A 19 0.651 31.884 11.748 1.00 0.00 C ATOM 284 O ARG A 19 1.862 31.689 11.638 1.00 0.00 O ATOM 285 CB ARG A 19 1.273 33.901 13.090 1.00 0.00 C ATOM 286 CG ARG A 19 2.039 34.562 11.956 1.00 0.00 C ATOM 287 CD ARG A 19 3.519 34.689 12.283 1.00 0.00 C ATOM 288 NE ARG A 19 4.105 35.896 11.705 1.00 0.00 N ATOM 289 CZ ARG A 19 3.923 37.113 12.205 1.00 0.00 C ATOM 290 NH1 ARG A 19 3.176 37.284 13.287 1.00 0.00 N ATOM 291 NH2 ARG A 19 4.490 38.162 11.623 1.00 0.00 N ATOM 0 H ARG A 19 -0.112 32.529 14.642 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.568 33.619 12.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.881 34.674 13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.963 33.297 13.679 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.916 33.979 11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.622 35.550 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.651 34.704 13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.049 33.813 11.909 1.00 0.00 H new ATOM 0 HE ARG A 19 4.686 35.799 10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.739 36.480 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.038 38.220 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.066 38.034 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.350 39.096 12.008 1.00 0.00 H new ATOM 305 N CYS A 20 -0.260 31.137 11.132 1.00 0.00 N ATOM 306 CA CYS A 20 0.119 30.021 10.274 1.00 0.00 C ATOM 307 C CYS A 20 -0.664 30.052 8.964 1.00 0.00 C ATOM 308 O CYS A 20 -1.896 30.060 8.966 1.00 0.00 O ATOM 309 CB CYS A 20 -0.122 28.693 10.994 1.00 0.00 C ATOM 310 SG CYS A 20 0.510 27.237 10.099 1.00 0.00 S ATOM 0 H CYS A 20 -1.266 31.285 11.211 1.00 0.00 H new ATOM 0 HA CYS A 20 1.180 30.115 10.045 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.348 28.734 11.977 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.193 28.569 11.157 1.00 0.00 H new ATOM 315 N ILE A 21 0.059 30.069 7.850 1.00 0.00 N ATOM 316 CA ILE A 21 -0.568 30.097 6.534 1.00 0.00 C ATOM 317 C ILE A 21 0.244 29.298 5.521 1.00 0.00 C ATOM 318 O ILE A 21 -0.313 28.559 4.710 1.00 0.00 O ATOM 319 CB ILE A 21 -0.732 31.540 6.020 1.00 0.00 C ATOM 320 CG1 ILE A 21 -1.617 32.347 6.972 1.00 0.00 C ATOM 321 CG2 ILE A 21 -1.319 31.538 4.616 1.00 0.00 C ATOM 322 CD1 ILE A 21 -3.055 31.877 7.004 1.00 0.00 C ATOM 0 H ILE A 21 1.079 30.064 7.832 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.553 29.644 6.644 1.00 0.00 H new ATOM 0 HB ILE A 21 0.251 32.010 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.202 32.289 7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.592 33.396 6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.429 32.564 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.654 30.995 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.295 31.053 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.624 32.494 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.487 31.961 6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.091 30.837 7.329 1.00 0.00 H new ATOM 334 N GLN A 22 1.563 29.450 5.576 1.00 0.00 N ATOM 335 CA GLN A 22 2.452 28.740 4.663 1.00 0.00 C ATOM 336 C GLN A 22 3.123 27.563 5.362 1.00 0.00 C ATOM 337 O GLN A 22 3.445 27.634 6.549 1.00 0.00 O ATOM 338 CB GLN A 22 3.514 29.692 4.109 1.00 0.00 C ATOM 339 CG GLN A 22 3.562 29.733 2.591 1.00 0.00 C ATOM 340 CD GLN A 22 4.469 30.827 2.064 1.00 0.00 C ATOM 341 OE1 GLN A 22 5.681 30.641 1.945 1.00 0.00 O ATOM 342 NE2 GLN A 22 3.887 31.977 1.746 1.00 0.00 N ATOM 0 H GLN A 22 2.040 30.058 6.242 1.00 0.00 H new ATOM 0 HA GLN A 22 1.853 28.355 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.321 30.697 4.485 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.491 29.392 4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.906 28.769 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.554 29.884 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.879 32.087 1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.447 32.750 1.387 1.00 0.00 H new ATOM 351 N ASP A 23 3.330 26.480 4.620 1.00 0.00 N ATOM 352 CA ASP A 23 3.963 25.287 5.169 1.00 0.00 C ATOM 353 C ASP A 23 5.375 25.595 5.654 1.00 0.00 C ATOM 354 O ASP A 23 5.844 25.020 6.636 1.00 0.00 O ATOM 355 CB ASP A 23 4.002 24.176 4.118 1.00 0.00 C ATOM 356 CG ASP A 23 2.673 24.001 3.410 1.00 0.00 C ATOM 357 OD1 ASP A 23 1.632 23.975 4.099 1.00 0.00 O ATOM 358 OD2 ASP A 23 2.674 23.892 2.166 1.00 0.00 O ATOM 0 H ASP A 23 3.069 26.404 3.637 1.00 0.00 H new ATOM 0 HA ASP A 23 3.372 24.951 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.775 24.402 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.282 23.237 4.596 1.00 0.00 H new ATOM 363 N MET A 24 6.049 26.506 4.959 1.00 0.00 N ATOM 364 CA MET A 24 7.409 26.890 5.320 1.00 0.00 C ATOM 365 C MET A 24 7.482 27.321 6.781 1.00 0.00 C ATOM 366 O MET A 24 8.303 26.815 7.547 1.00 0.00 O ATOM 367 CB MET A 24 7.897 28.025 4.417 1.00 0.00 C ATOM 368 CG MET A 24 8.851 27.565 3.326 1.00 0.00 C ATOM 369 SD MET A 24 9.238 28.872 2.146 1.00 0.00 S ATOM 370 CE MET A 24 9.839 27.911 0.760 1.00 0.00 C ATOM 0 H MET A 24 5.676 26.992 4.143 1.00 0.00 H new ATOM 0 HA MET A 24 8.054 26.022 5.183 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.035 28.507 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.394 28.778 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.774 27.208 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.410 26.721 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.119 28.581 -0.053 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.709 27.332 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.055 27.235 0.419 1.00 0.00 H new ATOM 380 N ASP A 25 6.620 28.257 7.162 1.00 0.00 N ATOM 381 CA ASP A 25 6.587 28.754 8.532 1.00 0.00 C ATOM 382 C ASP A 25 6.118 27.667 9.494 1.00 0.00 C ATOM 383 O ASP A 25 6.750 27.417 10.521 1.00 0.00 O ATOM 384 CB ASP A 25 5.667 29.972 8.633 1.00 0.00 C ATOM 385 CG ASP A 25 4.320 29.736 7.980 1.00 0.00 C ATOM 386 OD1 ASP A 25 3.429 29.167 8.645 1.00 0.00 O ATOM 387 OD2 ASP A 25 4.155 30.122 6.804 1.00 0.00 O ATOM 0 H ASP A 25 5.935 28.687 6.541 1.00 0.00 H new ATOM 0 HA ASP A 25 7.599 29.048 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.519 30.226 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.150 30.829 8.163 1.00 0.00 H new ATOM 392 N CYS A 26 5.006 27.024 9.155 1.00 0.00 N ATOM 393 CA CYS A 26 4.450 25.964 9.989 1.00 0.00 C ATOM 394 C CYS A 26 5.486 24.872 10.242 1.00 0.00 C ATOM 395 O CYS A 26 5.520 24.272 11.315 1.00 0.00 O ATOM 396 CB CYS A 26 3.210 25.362 9.325 1.00 0.00 C ATOM 397 SG CYS A 26 2.026 24.622 10.495 1.00 0.00 S ATOM 0 H CYS A 26 4.471 27.218 8.308 1.00 0.00 H new ATOM 0 HA CYS A 26 4.166 26.400 10.947 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.703 26.140 8.754 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.526 24.599 8.613 1.00 0.00 H new ATOM 402 N ASN A 27 6.329 24.622 9.246 1.00 0.00 N ATOM 403 CA ASN A 27 7.366 23.602 9.360 1.00 0.00 C ATOM 404 C ASN A 27 8.370 23.967 10.450 1.00 0.00 C ATOM 405 O ASN A 27 8.641 23.172 11.349 1.00 0.00 O ATOM 406 CB ASN A 27 8.088 23.428 8.023 1.00 0.00 C ATOM 407 CG ASN A 27 8.887 22.140 7.961 1.00 0.00 C ATOM 408 OD1 ASN A 27 8.345 21.074 7.667 1.00 0.00 O ATOM 409 ND2 ASN A 27 10.182 22.233 8.239 1.00 0.00 N ATOM 0 H ASN A 27 6.315 25.111 8.351 1.00 0.00 H new ATOM 0 HA ASN A 27 6.888 22.661 9.632 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.357 23.438 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.755 24.275 7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.770 21.400 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.589 23.137 8.478 1.00 0.00 H new ATOM 416 N ALA A 28 8.917 25.175 10.362 1.00 0.00 N ATOM 417 CA ALA A 28 9.888 25.647 11.341 1.00 0.00 C ATOM 418 C ALA A 28 9.281 25.690 12.739 1.00 0.00 C ATOM 419 O ALA A 28 9.971 25.462 13.733 1.00 0.00 O ATOM 420 CB ALA A 28 10.410 27.020 10.947 1.00 0.00 C ATOM 0 H ALA A 28 8.704 25.845 9.623 1.00 0.00 H new ATOM 0 HA ALA A 28 10.722 24.945 11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.134 27.360 11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.890 26.960 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.580 27.725 10.901 1.00 0.00 H new ATOM 426 N ALA A 29 7.987 25.984 12.809 1.00 0.00 N ATOM 427 CA ALA A 29 7.288 26.056 14.086 1.00 0.00 C ATOM 428 C ALA A 29 7.376 24.731 14.836 1.00 0.00 C ATOM 429 O ALA A 29 7.655 24.702 16.035 1.00 0.00 O ATOM 430 CB ALA A 29 5.833 26.446 13.869 1.00 0.00 C ATOM 0 H ALA A 29 7.401 26.176 11.996 1.00 0.00 H new ATOM 0 HA ALA A 29 7.772 26.820 14.694 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.322 26.496 14.831 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.786 27.420 13.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.347 25.701 13.239 1.00 0.00 H new ATOM 436 N CYS A 30 7.137 23.636 14.122 1.00 0.00 N ATOM 437 CA CYS A 30 7.189 22.307 14.720 1.00 0.00 C ATOM 438 C CYS A 30 8.617 21.946 15.121 1.00 0.00 C ATOM 439 O CYS A 30 8.895 21.673 16.288 1.00 0.00 O ATOM 440 CB CYS A 30 6.642 21.264 13.743 1.00 0.00 C ATOM 441 SG CYS A 30 5.103 21.763 12.907 1.00 0.00 S ATOM 0 H CYS A 30 6.905 23.643 13.129 1.00 0.00 H new ATOM 0 HA CYS A 30 6.570 22.315 15.617 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.401 21.055 12.989 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.464 20.334 14.283 1.00 0.00 H new ATOM 446 N VAL A 31 9.518 21.946 14.143 1.00 0.00 N ATOM 447 CA VAL A 31 10.917 21.621 14.393 1.00 0.00 C ATOM 448 C VAL A 31 11.500 22.505 15.489 1.00 0.00 C ATOM 449 O VAL A 31 12.492 22.151 16.127 1.00 0.00 O ATOM 450 CB VAL A 31 11.766 21.775 13.118 1.00 0.00 C ATOM 451 CG1 VAL A 31 11.802 20.470 12.338 1.00 0.00 C ATOM 452 CG2 VAL A 31 11.228 22.906 12.254 1.00 0.00 C ATOM 0 H VAL A 31 9.304 22.167 13.171 1.00 0.00 H new ATOM 0 HA VAL A 31 10.947 20.580 14.716 1.00 0.00 H new ATOM 0 HB VAL A 31 12.786 22.024 13.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.407 20.599 11.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.237 19.687 12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.788 20.187 12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.840 23.001 11.357 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.198 22.689 11.970 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.260 23.840 12.816 1.00 0.00 H new ATOM 462 N LYS A 32 10.877 23.659 15.704 1.00 0.00 N ATOM 463 CA LYS A 32 11.332 24.596 16.724 1.00 0.00 C ATOM 464 C LYS A 32 10.577 24.385 18.033 1.00 0.00 C ATOM 465 O LYS A 32 11.053 24.764 19.102 1.00 0.00 O ATOM 466 CB LYS A 32 11.145 26.037 16.243 1.00 0.00 C ATOM 467 CG LYS A 32 11.825 27.067 17.128 1.00 0.00 C ATOM 468 CD LYS A 32 13.151 27.520 16.541 1.00 0.00 C ATOM 469 CE LYS A 32 13.074 28.951 16.029 1.00 0.00 C ATOM 470 NZ LYS A 32 14.375 29.661 16.170 1.00 0.00 N ATOM 0 H LYS A 32 10.055 23.968 15.185 1.00 0.00 H new ATOM 0 HA LYS A 32 12.392 24.413 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.536 26.126 15.229 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.079 26.259 16.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.169 27.928 17.255 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.991 26.644 18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.930 27.445 17.299 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.435 26.855 15.725 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.775 28.946 14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.303 29.492 16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.281 30.632 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.649 29.688 17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.105 29.159 15.625 1.00 0.00 H new ATOM 484 N GLU A 33 9.400 23.775 17.940 1.00 0.00 N ATOM 485 CA GLU A 33 8.581 23.513 19.117 1.00 0.00 C ATOM 486 C GLU A 33 9.190 22.401 19.967 1.00 0.00 C ATOM 487 O GLU A 33 9.259 22.508 21.191 1.00 0.00 O ATOM 488 CB GLU A 33 7.158 23.131 18.702 1.00 0.00 C ATOM 489 CG GLU A 33 6.164 24.275 18.814 1.00 0.00 C ATOM 490 CD GLU A 33 5.311 24.185 20.065 1.00 0.00 C ATOM 491 OE1 GLU A 33 5.877 24.249 21.176 1.00 0.00 O ATOM 492 OE2 GLU A 33 4.076 24.051 19.931 1.00 0.00 O ATOM 0 H GLU A 33 8.992 23.453 17.062 1.00 0.00 H new ATOM 0 HA GLU A 33 8.545 24.425 19.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.172 22.773 17.673 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.817 22.303 19.323 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.704 25.222 18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.517 24.277 17.937 1.00 0.00 H new ATOM 499 N SER A 34 9.629 21.333 19.307 1.00 0.00 N ATOM 500 CA SER A 34 10.228 20.199 20.001 1.00 0.00 C ATOM 501 C SER A 34 11.458 19.694 19.254 1.00 0.00 C ATOM 502 O SER A 34 11.942 20.340 18.326 1.00 0.00 O ATOM 503 CB SER A 34 9.208 19.069 20.151 1.00 0.00 C ATOM 504 OG SER A 34 9.307 18.458 21.426 1.00 0.00 O ATOM 0 H SER A 34 9.581 21.230 18.293 1.00 0.00 H new ATOM 0 HA SER A 34 10.537 20.533 20.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.201 19.463 20.010 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.370 18.323 19.373 1.00 0.00 H new ATOM 0 HG SER A 34 8.643 17.740 21.497 1.00 0.00 H new ATOM 510 N GLU A 35 11.958 18.533 19.667 1.00 0.00 N ATOM 511 CA GLU A 35 13.132 17.940 19.037 1.00 0.00 C ATOM 512 C GLU A 35 12.787 16.599 18.397 1.00 0.00 C ATOM 513 O GLU A 35 13.671 15.794 18.101 1.00 0.00 O ATOM 514 CB GLU A 35 14.250 17.755 20.065 1.00 0.00 C ATOM 515 CG GLU A 35 13.766 17.217 21.401 1.00 0.00 C ATOM 516 CD GLU A 35 14.866 17.167 22.443 1.00 0.00 C ATOM 517 OE1 GLU A 35 16.028 16.904 22.068 1.00 0.00 O ATOM 518 OE2 GLU A 35 14.565 17.391 23.634 1.00 0.00 O ATOM 0 H GLU A 35 11.569 17.985 20.434 1.00 0.00 H new ATOM 0 HA GLU A 35 13.475 18.618 18.255 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.997 17.074 19.658 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.746 18.712 20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.952 17.843 21.767 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.359 16.216 21.259 1.00 0.00 H new ATOM 525 N SER A 36 11.496 16.365 18.186 1.00 0.00 N ATOM 526 CA SER A 36 11.032 15.119 17.585 1.00 0.00 C ATOM 527 C SER A 36 10.298 15.389 16.275 1.00 0.00 C ATOM 528 O SER A 36 10.311 14.563 15.362 1.00 0.00 O ATOM 529 CB SER A 36 10.114 14.372 18.553 1.00 0.00 C ATOM 530 OG SER A 36 10.807 13.324 19.209 1.00 0.00 O ATOM 0 H SER A 36 10.752 17.022 18.422 1.00 0.00 H new ATOM 0 HA SER A 36 11.904 14.500 17.372 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.717 15.068 19.292 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.262 13.964 18.009 1.00 0.00 H new ATOM 0 HG SER A 36 10.198 12.863 19.823 1.00 0.00 H new ATOM 536 N TYR A 37 9.659 16.550 16.191 1.00 0.00 N ATOM 537 CA TYR A 37 8.916 16.929 14.994 1.00 0.00 C ATOM 538 C TYR A 37 9.857 17.443 13.909 1.00 0.00 C ATOM 539 O TYR A 37 10.364 18.563 13.988 1.00 0.00 O ATOM 540 CB TYR A 37 7.876 17.998 15.331 1.00 0.00 C ATOM 541 CG TYR A 37 6.885 17.567 16.389 1.00 0.00 C ATOM 542 CD1 TYR A 37 5.807 16.752 16.069 1.00 0.00 C ATOM 543 CD2 TYR A 37 7.029 17.974 17.710 1.00 0.00 C ATOM 544 CE1 TYR A 37 4.899 16.356 17.032 1.00 0.00 C ATOM 545 CE2 TYR A 37 6.127 17.582 18.680 1.00 0.00 C ATOM 546 CZ TYR A 37 5.064 16.774 18.336 1.00 0.00 C ATOM 547 OH TYR A 37 4.163 16.381 19.299 1.00 0.00 O ATOM 0 H TYR A 37 9.640 17.245 16.937 1.00 0.00 H new ATOM 0 HA TYR A 37 8.406 16.042 14.617 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.389 18.898 15.671 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.333 18.264 14.424 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.676 16.422 15.049 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.860 18.607 17.983 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.065 15.723 16.765 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.254 17.907 19.702 1.00 0.00 H new ATOM 0 HH TYR A 37 4.423 16.760 20.164 1.00 0.00 H new ATOM 557 N THR A 38 10.088 16.616 12.894 1.00 0.00 N ATOM 558 CA THR A 38 10.968 16.985 11.792 1.00 0.00 C ATOM 559 C THR A 38 10.167 17.355 10.549 1.00 0.00 C ATOM 560 O THR A 38 10.614 17.139 9.424 1.00 0.00 O ATOM 561 CB THR A 38 11.938 15.841 11.442 1.00 0.00 C ATOM 562 OG1 THR A 38 12.988 16.331 10.600 1.00 0.00 O ATOM 563 CG2 THR A 38 11.207 14.706 10.741 1.00 0.00 C ATOM 0 H THR A 38 9.678 15.686 12.812 1.00 0.00 H new ATOM 0 HA THR A 38 11.542 17.851 12.122 1.00 0.00 H new ATOM 0 HB THR A 38 12.364 15.459 12.370 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.600 16.814 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.913 13.910 10.504 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.427 14.316 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.756 15.077 9.821 1.00 0.00 H new ATOM 571 N GLY A 39 8.980 17.916 10.761 1.00 0.00 N ATOM 572 CA GLY A 39 8.135 18.308 9.647 1.00 0.00 C ATOM 573 C GLY A 39 6.875 19.020 10.098 1.00 0.00 C ATOM 574 O GLY A 39 6.551 19.031 11.284 1.00 0.00 O ATOM 0 H GLY A 39 8.589 18.106 11.684 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.698 18.960 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.863 17.423 9.072 1.00 0.00 H new ATOM 578 N GLY A 40 6.163 19.618 9.147 1.00 0.00 N ATOM 579 CA GLY A 40 4.941 20.329 9.473 1.00 0.00 C ATOM 580 C GLY A 40 4.335 21.022 8.269 1.00 0.00 C ATOM 581 O GLY A 40 5.052 21.588 7.443 1.00 0.00 O ATOM 0 H GLY A 40 6.411 19.622 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.216 19.628 9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.149 21.068 10.247 1.00 0.00 H new ATOM 585 N PHE A 41 3.011 20.977 8.166 1.00 0.00 N ATOM 586 CA PHE A 41 2.309 21.603 7.052 1.00 0.00 C ATOM 587 C PHE A 41 1.116 22.416 7.548 1.00 0.00 C ATOM 588 O PHE A 41 0.498 22.079 8.559 1.00 0.00 O ATOM 589 CB PHE A 41 1.837 20.541 6.057 1.00 0.00 C ATOM 590 CG PHE A 41 2.828 20.263 4.963 1.00 0.00 C ATOM 591 CD1 PHE A 41 4.013 19.599 5.236 1.00 0.00 C ATOM 592 CD2 PHE A 41 2.574 20.664 3.661 1.00 0.00 C ATOM 593 CE1 PHE A 41 4.927 19.343 4.231 1.00 0.00 C ATOM 594 CE2 PHE A 41 3.484 20.410 2.652 1.00 0.00 C ATOM 595 CZ PHE A 41 4.661 19.748 2.937 1.00 0.00 C ATOM 0 H PHE A 41 2.403 20.513 8.841 1.00 0.00 H new ATOM 0 HA PHE A 41 3.004 22.278 6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.633 19.615 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.897 20.865 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.225 19.278 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.654 21.181 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.848 18.827 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.274 20.729 1.642 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.373 19.547 2.150 1.00 0.00 H new ATOM 605 N CYS A 42 0.799 23.489 6.831 1.00 0.00 N ATOM 606 CA CYS A 42 -0.317 24.352 7.197 1.00 0.00 C ATOM 607 C CYS A 42 -1.443 24.249 6.173 1.00 0.00 C ATOM 608 O CYS A 42 -1.196 24.083 4.979 1.00 0.00 O ATOM 609 CB CYS A 42 0.150 25.804 7.314 1.00 0.00 C ATOM 610 SG CYS A 42 -0.693 26.754 8.619 1.00 0.00 S ATOM 0 H CYS A 42 1.300 23.782 5.992 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.697 24.021 8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.223 25.815 7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.007 26.303 6.358 1.00 0.00 H new ATOM 615 N ASN A 43 -2.680 24.348 6.649 1.00 0.00 N ATOM 616 CA ASN A 43 -3.844 24.266 5.775 1.00 0.00 C ATOM 617 C ASN A 43 -4.936 25.229 6.230 1.00 0.00 C ATOM 618 O ASN A 43 -5.225 25.339 7.421 1.00 0.00 O ATOM 619 CB ASN A 43 -4.389 22.836 5.749 1.00 0.00 C ATOM 620 CG ASN A 43 -4.207 22.172 4.397 1.00 0.00 C ATOM 621 OD1 ASN A 43 -5.137 21.573 3.858 1.00 0.00 O ATOM 622 ND2 ASN A 43 -3.004 22.277 3.844 1.00 0.00 N ATOM 0 H ASN A 43 -2.902 24.485 7.635 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.532 24.548 4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.884 22.244 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.449 22.849 6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.821 21.851 2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.263 22.784 4.328 1.00 0.00 H new ATOM 629 N GLY A 44 -5.540 25.926 5.273 1.00 0.00 N ATOM 630 CA GLY A 44 -6.594 26.871 5.595 1.00 0.00 C ATOM 631 C GLY A 44 -7.978 26.274 5.434 1.00 0.00 C ATOM 632 O GLY A 44 -8.410 25.986 4.318 1.00 0.00 O ATOM 0 H GLY A 44 -5.318 25.853 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.468 27.215 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.502 27.746 4.952 1.00 0.00 H new ATOM 636 N ARG A 45 -8.674 26.087 6.550 1.00 0.00 N ATOM 637 CA ARG A 45 -10.016 25.517 6.528 1.00 0.00 C ATOM 638 C ARG A 45 -10.917 26.208 7.547 1.00 0.00 C ATOM 639 O ARG A 45 -10.452 26.872 8.474 1.00 0.00 O ATOM 640 CB ARG A 45 -9.960 24.016 6.814 1.00 0.00 C ATOM 641 CG ARG A 45 -9.820 23.162 5.564 1.00 0.00 C ATOM 642 CD ARG A 45 -9.756 21.682 5.905 1.00 0.00 C ATOM 643 NE ARG A 45 -8.381 21.218 6.073 1.00 0.00 N ATOM 644 CZ ARG A 45 -8.059 19.963 6.367 1.00 0.00 C ATOM 645 NH1 ARG A 45 -9.008 19.052 6.526 1.00 0.00 N ATOM 646 NH2 ARG A 45 -6.785 19.619 6.503 1.00 0.00 N ATOM 0 H ARG A 45 -8.331 26.322 7.481 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.435 25.675 5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.120 23.813 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.865 23.722 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.664 23.347 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.919 23.451 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.316 21.497 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.239 21.107 5.115 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.627 21.895 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.988 19.314 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.758 18.089 6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.052 20.318 6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.538 18.655 6.729 1.00 0.00 H new ATOM 660 N PRO A 46 -12.237 26.049 7.374 1.00 0.00 N ATOM 661 CA PRO A 46 -13.231 26.650 8.269 1.00 0.00 C ATOM 662 C PRO A 46 -13.235 26.001 9.649 1.00 0.00 C ATOM 663 O PRO A 46 -12.992 24.803 9.799 1.00 0.00 O ATOM 664 CB PRO A 46 -14.558 26.389 7.551 1.00 0.00 C ATOM 665 CG PRO A 46 -14.304 25.187 6.710 1.00 0.00 C ATOM 666 CD PRO A 46 -12.862 25.271 6.291 1.00 0.00 C ATOM 0 HA PRO A 46 -13.030 27.706 8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.365 26.211 8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.853 27.243 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.495 24.272 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.962 25.172 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.413 24.282 6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.752 25.765 5.326 1.00 0.00 H new ATOM 674 N PRO A 47 -13.518 26.808 10.682 1.00 0.00 N ATOM 675 CA PRO A 47 -13.808 28.235 10.516 1.00 0.00 C ATOM 676 C PRO A 47 -12.576 29.033 10.103 1.00 0.00 C ATOM 677 O PRO A 47 -12.616 29.805 9.145 1.00 0.00 O ATOM 678 CB PRO A 47 -14.283 28.665 11.906 1.00 0.00 C ATOM 679 CG PRO A 47 -13.650 27.692 12.840 1.00 0.00 C ATOM 680 CD PRO A 47 -13.576 26.389 12.093 1.00 0.00 C ATOM 0 HA PRO A 47 -14.539 28.413 9.727 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.976 29.687 12.131 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.370 28.635 11.980 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.657 28.027 13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.238 27.586 13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.696 25.812 12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -14.446 25.762 12.291 1.00 0.00 H new ATOM 688 N PHE A 48 -11.481 28.841 10.832 1.00 0.00 N ATOM 689 CA PHE A 48 -10.237 29.543 10.542 1.00 0.00 C ATOM 690 C PHE A 48 -9.123 28.558 10.200 1.00 0.00 C ATOM 691 O PHE A 48 -9.198 27.376 10.537 1.00 0.00 O ATOM 692 CB PHE A 48 -9.822 30.405 11.736 1.00 0.00 C ATOM 693 CG PHE A 48 -10.206 29.814 13.063 1.00 0.00 C ATOM 694 CD1 PHE A 48 -9.828 28.524 13.397 1.00 0.00 C ATOM 695 CD2 PHE A 48 -10.944 30.550 13.976 1.00 0.00 C ATOM 696 CE1 PHE A 48 -10.180 27.978 14.617 1.00 0.00 C ATOM 697 CE2 PHE A 48 -11.299 30.009 15.198 1.00 0.00 C ATOM 698 CZ PHE A 48 -10.916 28.722 15.519 1.00 0.00 C ATOM 0 H PHE A 48 -11.431 28.205 11.628 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.406 30.187 9.679 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.742 30.551 11.711 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.279 31.390 11.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.252 27.938 12.696 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.245 31.558 13.730 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.880 26.971 14.865 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.875 30.593 15.901 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.191 28.298 16.473 1.00 0.00 H new ATOM 708 N LYS A 49 -8.089 29.053 9.528 1.00 0.00 N ATOM 709 CA LYS A 49 -6.958 28.218 9.139 1.00 0.00 C ATOM 710 C LYS A 49 -6.326 27.557 10.360 1.00 0.00 C ATOM 711 O LYS A 49 -6.462 28.046 11.481 1.00 0.00 O ATOM 712 CB LYS A 49 -5.911 29.054 8.399 1.00 0.00 C ATOM 713 CG LYS A 49 -4.924 29.748 9.322 1.00 0.00 C ATOM 714 CD LYS A 49 -5.620 30.735 10.244 1.00 0.00 C ATOM 715 CE LYS A 49 -6.237 31.886 9.464 1.00 0.00 C ATOM 716 NZ LYS A 49 -6.931 32.853 10.359 1.00 0.00 N ATOM 0 H LYS A 49 -8.011 30.029 9.241 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.326 27.437 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.362 28.409 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.419 29.805 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.396 29.003 9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.175 30.271 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.396 30.220 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.904 31.126 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.458 32.404 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.946 31.492 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.338 33.622 9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.691 32.365 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.250 33.248 11.038 1.00 0.00 H new ATOM 730 N GLN A 50 -5.634 26.445 10.133 1.00 0.00 N ATOM 731 CA GLN A 50 -4.980 25.718 11.215 1.00 0.00 C ATOM 732 C GLN A 50 -3.611 25.208 10.778 1.00 0.00 C ATOM 733 O GLN A 50 -3.374 24.972 9.593 1.00 0.00 O ATOM 734 CB GLN A 50 -5.853 24.548 11.671 1.00 0.00 C ATOM 735 CG GLN A 50 -5.241 23.738 12.803 1.00 0.00 C ATOM 736 CD GLN A 50 -4.419 22.566 12.304 1.00 0.00 C ATOM 737 OE1 GLN A 50 -4.105 22.474 11.117 1.00 0.00 O ATOM 738 NE2 GLN A 50 -4.066 21.661 13.210 1.00 0.00 N ATOM 0 H GLN A 50 -5.512 26.028 9.210 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.841 26.405 12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.822 24.931 11.992 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.036 23.890 10.822 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.610 24.388 13.409 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.036 23.370 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.348 21.777 14.183 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.513 20.850 12.932 1.00 0.00 H new ATOM 747 N CYS A 51 -2.713 25.039 11.743 1.00 0.00 N ATOM 748 CA CYS A 51 -1.367 24.557 11.459 1.00 0.00 C ATOM 749 C CYS A 51 -1.172 23.140 11.992 1.00 0.00 C ATOM 750 O CYS A 51 -1.541 22.836 13.126 1.00 0.00 O ATOM 751 CB CYS A 51 -0.326 25.493 12.077 1.00 0.00 C ATOM 752 SG CYS A 51 0.841 26.206 10.873 1.00 0.00 S ATOM 0 H CYS A 51 -2.894 25.229 12.729 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.235 24.541 10.377 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.842 26.304 12.591 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.237 24.945 12.832 1.00 0.00 H new ATOM 757 N PHE A 52 -0.591 22.278 11.165 1.00 0.00 N ATOM 758 CA PHE A 52 -0.348 20.893 11.552 1.00 0.00 C ATOM 759 C PHE A 52 1.140 20.562 11.481 1.00 0.00 C ATOM 760 O PHE A 52 1.864 21.080 10.630 1.00 0.00 O ATOM 761 CB PHE A 52 -1.137 19.943 10.649 1.00 0.00 C ATOM 762 CG PHE A 52 -2.164 19.131 11.385 1.00 0.00 C ATOM 763 CD1 PHE A 52 -1.794 18.313 12.439 1.00 0.00 C ATOM 764 CD2 PHE A 52 -3.500 19.188 11.022 1.00 0.00 C ATOM 765 CE1 PHE A 52 -2.738 17.564 13.118 1.00 0.00 C ATOM 766 CE2 PHE A 52 -4.449 18.442 11.697 1.00 0.00 C ATOM 767 CZ PHE A 52 -4.067 17.630 12.747 1.00 0.00 C ATOM 0 H PHE A 52 -0.280 22.514 10.223 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.682 20.765 12.582 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.633 20.523 9.871 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.442 19.268 10.149 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.757 18.259 12.734 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.804 19.822 10.202 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.436 16.928 13.937 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.487 18.494 11.404 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.806 17.048 13.277 1.00 0.00 H new ATOM 777 N CYS A 53 1.591 19.695 12.382 1.00 0.00 N ATOM 778 CA CYS A 53 2.992 19.294 12.424 1.00 0.00 C ATOM 779 C CYS A 53 3.148 17.823 12.046 1.00 0.00 C ATOM 780 O CYS A 53 2.197 17.045 12.125 1.00 0.00 O ATOM 781 CB CYS A 53 3.572 19.538 13.819 1.00 0.00 C ATOM 782 SG CYS A 53 3.571 21.287 14.329 1.00 0.00 S ATOM 0 H CYS A 53 1.006 19.257 13.093 1.00 0.00 H new ATOM 0 HA CYS A 53 3.539 19.897 11.700 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.001 18.959 14.545 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.595 19.163 13.846 1.00 0.00 H new ATOM 787 N THR A 54 4.356 17.449 11.636 1.00 0.00 N ATOM 788 CA THR A 54 4.638 16.074 11.245 1.00 0.00 C ATOM 789 C THR A 54 5.942 15.583 11.863 1.00 0.00 C ATOM 790 O THR A 54 6.906 16.338 11.986 1.00 0.00 O ATOM 791 CB THR A 54 4.723 15.931 9.714 1.00 0.00 C ATOM 792 OG1 THR A 54 6.083 16.065 9.284 1.00 0.00 O ATOM 793 CG2 THR A 54 3.863 16.979 9.024 1.00 0.00 C ATOM 0 H THR A 54 5.155 18.080 11.566 1.00 0.00 H new ATOM 0 HA THR A 54 3.812 15.465 11.614 1.00 0.00 H new ATOM 0 HB THR A 54 4.352 14.943 9.443 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.129 15.971 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.939 16.858 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.824 16.857 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.209 17.974 9.303 1.00 0.00 H new ATOM 801 N LYS A 55 5.966 14.312 12.251 1.00 0.00 N ATOM 802 CA LYS A 55 7.152 13.718 12.855 1.00 0.00 C ATOM 803 C LYS A 55 7.310 12.262 12.428 1.00 0.00 C ATOM 804 O LYS A 55 6.364 11.617 11.977 1.00 0.00 O ATOM 805 CB LYS A 55 7.072 13.807 14.381 1.00 0.00 C ATOM 806 CG LYS A 55 6.301 12.663 15.017 1.00 0.00 C ATOM 807 CD LYS A 55 5.000 13.144 15.638 1.00 0.00 C ATOM 808 CE LYS A 55 3.922 12.073 15.575 1.00 0.00 C ATOM 809 NZ LYS A 55 3.451 11.679 16.931 1.00 0.00 N ATOM 0 H LYS A 55 5.176 13.673 12.157 1.00 0.00 H new ATOM 0 HA LYS A 55 8.022 14.276 12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.083 13.824 14.789 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.600 14.750 14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.087 11.904 14.264 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.917 12.189 15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.174 13.426 16.676 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.656 14.038 15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.079 12.441 14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.311 11.196 15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.717 10.947 16.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.250 11.304 17.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.056 12.510 17.416 1.00 0.00 H new ATOM 823 N PRO A 56 8.533 11.731 12.573 1.00 0.00 N ATOM 824 CA PRO A 56 8.843 10.345 12.209 1.00 0.00 C ATOM 825 C PRO A 56 8.187 9.339 13.149 1.00 0.00 C ATOM 826 O PRO A 56 8.818 8.845 14.084 1.00 0.00 O ATOM 827 CB PRO A 56 10.367 10.278 12.333 1.00 0.00 C ATOM 828 CG PRO A 56 10.715 11.345 13.313 1.00 0.00 C ATOM 829 CD PRO A 56 9.708 12.443 13.104 1.00 0.00 C ATOM 0 HA PRO A 56 8.471 10.091 11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.693 9.298 12.682 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.850 10.451 11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.673 10.966 14.334 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.729 11.709 13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.478 12.960 14.036 1.00 0.00 H new ATOM 0 HD3 PRO A 56 10.073 13.195 12.404 1.00 0.00 H new ATOM 837 N CYS A 57 6.918 9.039 12.895 1.00 0.00 N ATOM 838 CA CYS A 57 6.176 8.092 13.718 1.00 0.00 C ATOM 839 C CYS A 57 6.944 6.782 13.866 1.00 0.00 C ATOM 840 O CYS A 57 7.942 6.553 13.182 1.00 0.00 O ATOM 841 CB CYS A 57 4.799 7.822 13.106 1.00 0.00 C ATOM 842 SG CYS A 57 3.467 7.623 14.333 1.00 0.00 S ATOM 0 H CYS A 57 6.382 9.439 12.125 1.00 0.00 H new ATOM 0 HA CYS A 57 6.047 8.531 14.707 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.543 8.644 12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.855 6.920 12.496 1.00 0.00 H new ATOM 847 N LYS A 58 6.473 5.924 14.764 1.00 0.00 N ATOM 848 CA LYS A 58 7.113 4.636 15.003 1.00 0.00 C ATOM 849 C LYS A 58 6.140 3.489 14.748 1.00 0.00 C ATOM 850 O LYS A 58 5.018 3.706 14.290 1.00 0.00 O ATOM 851 CB LYS A 58 7.639 4.563 16.438 1.00 0.00 C ATOM 852 CG LYS A 58 9.111 4.201 16.529 1.00 0.00 C ATOM 853 CD LYS A 58 9.871 5.176 17.412 1.00 0.00 C ATOM 854 CE LYS A 58 11.375 4.995 17.276 1.00 0.00 C ATOM 855 NZ LYS A 58 12.094 6.299 17.281 1.00 0.00 N ATOM 0 H LYS A 58 5.649 6.098 15.339 1.00 0.00 H new ATOM 0 HA LYS A 58 7.949 4.540 14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.480 5.526 16.924 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.057 3.826 16.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.214 3.192 16.927 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.548 4.196 15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.601 6.198 17.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.579 5.031 18.452 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.742 4.375 18.094 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.594 4.463 16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.116 6.132 17.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.763 6.881 16.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.906 6.796 18.175 1.00 0.00 H new ATOM 869 N ARG A 59 6.577 2.271 15.048 1.00 0.00 N ATOM 870 CA ARG A 59 5.744 1.090 14.851 1.00 0.00 C ATOM 871 C ARG A 59 5.417 0.896 13.373 1.00 0.00 C ATOM 872 O ARG A 59 5.579 1.811 12.567 1.00 0.00 O ATOM 873 CB ARG A 59 4.450 1.212 15.658 1.00 0.00 C ATOM 874 CG ARG A 59 3.736 -0.113 15.868 1.00 0.00 C ATOM 875 CD ARG A 59 2.895 -0.098 17.135 1.00 0.00 C ATOM 876 NE ARG A 59 2.090 -1.309 17.271 1.00 0.00 N ATOM 877 CZ ARG A 59 2.590 -2.489 17.619 1.00 0.00 C ATOM 878 NH1 ARG A 59 3.886 -2.617 17.865 1.00 0.00 N ATOM 879 NH2 ARG A 59 1.793 -3.545 17.722 1.00 0.00 N ATOM 0 H ARG A 59 7.503 2.075 15.428 1.00 0.00 H new ATOM 0 HA ARG A 59 6.302 0.221 15.200 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.678 1.650 16.630 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.777 1.901 15.147 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.099 -0.324 15.009 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.469 -0.917 15.926 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.548 0.003 18.002 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.240 0.773 17.125 1.00 0.00 H new ATOM 0 HE ARG A 59 1.088 -1.245 17.089 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.502 -1.808 17.787 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.267 -3.525 18.132 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.795 -3.451 17.534 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.178 -4.451 17.989 1.00 0.00 H new ATOM 893 N GLU A 60 4.958 -0.302 13.026 1.00 0.00 N ATOM 894 CA GLU A 60 4.610 -0.616 11.646 1.00 0.00 C ATOM 895 C GLU A 60 3.109 -0.468 11.415 1.00 0.00 C ATOM 896 O GLU A 60 2.528 -1.157 10.577 1.00 0.00 O ATOM 897 CB GLU A 60 5.053 -2.038 11.295 1.00 0.00 C ATOM 898 CG GLU A 60 6.548 -2.169 11.056 1.00 0.00 C ATOM 899 CD GLU A 60 6.944 -1.820 9.635 1.00 0.00 C ATOM 900 OE1 GLU A 60 6.120 -1.212 8.921 1.00 0.00 O ATOM 901 OE2 GLU A 60 8.079 -2.156 9.237 1.00 0.00 O ATOM 0 H GLU A 60 4.819 -1.071 13.682 1.00 0.00 H new ATOM 0 HA GLU A 60 5.131 0.089 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.763 -2.710 12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.521 -2.365 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.081 -1.517 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.859 -3.190 11.276 1.00 0.00 H new ATOM 908 N ARG A 61 2.488 0.436 12.166 1.00 0.00 N ATOM 909 CA ARG A 61 1.054 0.674 12.046 1.00 0.00 C ATOM 910 C ARG A 61 0.266 -0.605 12.313 1.00 0.00 C ATOM 911 O ARG A 61 -0.854 -0.769 11.830 1.00 0.00 O ATOM 912 CB ARG A 61 0.720 1.209 10.652 1.00 0.00 C ATOM 913 CG ARG A 61 -0.468 2.158 10.633 1.00 0.00 C ATOM 914 CD ARG A 61 -0.700 2.732 9.245 1.00 0.00 C ATOM 915 NE ARG A 61 -0.367 4.153 9.177 1.00 0.00 N ATOM 916 CZ ARG A 61 -0.551 4.900 8.095 1.00 0.00 C ATOM 917 NH1 ARG A 61 -1.063 4.365 6.995 1.00 0.00 N ATOM 918 NH2 ARG A 61 -0.223 6.186 8.111 1.00 0.00 N ATOM 0 H ARG A 61 2.955 1.015 12.864 1.00 0.00 H new ATOM 0 HA ARG A 61 0.771 1.417 12.791 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.593 1.725 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.514 0.369 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.362 1.630 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.298 2.970 11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.098 2.184 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.744 2.590 8.964 1.00 0.00 H new ATOM 0 HE ARG A 61 0.029 4.595 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.317 3.377 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.203 4.941 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.171 6.601 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.365 6.759 7.279 1.00 0.00 H new ATOM 932 N ALA A 62 0.860 -1.509 13.085 1.00 0.00 N ATOM 933 CA ALA A 62 0.214 -2.773 13.418 1.00 0.00 C ATOM 934 C ALA A 62 -0.273 -3.488 12.163 1.00 0.00 C ATOM 935 O ALA A 62 -1.413 -3.306 11.735 1.00 0.00 O ATOM 936 CB ALA A 62 -0.945 -2.536 14.376 1.00 0.00 C ATOM 0 H ALA A 62 1.788 -1.390 13.492 1.00 0.00 H new ATOM 0 HA ALA A 62 0.950 -3.412 13.906 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.419 -3.488 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.573 -2.075 15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.675 -1.876 13.908 1.00 0.00 H new ATOM 942 N ALA A 63 0.598 -4.301 11.575 1.00 0.00 N ATOM 943 CA ALA A 63 0.256 -5.045 10.369 1.00 0.00 C ATOM 944 C ALA A 63 1.311 -6.102 10.058 1.00 0.00 C ATOM 945 O ALA A 63 2.310 -6.222 10.765 1.00 0.00 O ATOM 946 CB ALA A 63 0.095 -4.095 9.191 1.00 0.00 C ATOM 0 H ALA A 63 1.546 -4.461 11.914 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.691 -5.555 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.160 -4.664 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.700 -3.381 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.030 -3.559 9.025 1.00 0.00 H new ATOM 952 N ALA A 64 1.080 -6.866 8.995 1.00 0.00 N ATOM 953 CA ALA A 64 2.011 -7.912 8.590 1.00 0.00 C ATOM 954 C ALA A 64 2.889 -7.447 7.432 1.00 0.00 C ATOM 955 O ALA A 64 2.455 -6.666 6.585 1.00 0.00 O ATOM 956 CB ALA A 64 1.253 -9.174 8.207 1.00 0.00 C ATOM 0 H ALA A 64 0.257 -6.780 8.399 1.00 0.00 H new ATOM 0 HA ALA A 64 2.660 -8.135 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.961 -9.947 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.674 -9.524 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.580 -8.957 7.378 1.00 0.00 H new ATOM 962 N THR A 65 4.126 -7.932 7.402 1.00 0.00 N ATOM 963 CA THR A 65 5.065 -7.565 6.350 1.00 0.00 C ATOM 964 C THR A 65 4.699 -8.233 5.029 1.00 0.00 C ATOM 965 O THR A 65 4.984 -7.703 3.954 1.00 0.00 O ATOM 966 CB THR A 65 6.508 -7.952 6.725 1.00 0.00 C ATOM 967 OG1 THR A 65 6.727 -7.731 8.123 1.00 0.00 O ATOM 968 CG2 THR A 65 7.512 -7.145 5.915 1.00 0.00 C ATOM 0 H THR A 65 4.501 -8.580 8.095 1.00 0.00 H new ATOM 0 HA THR A 65 5.005 -6.483 6.236 1.00 0.00 H new ATOM 0 HB THR A 65 6.648 -9.009 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.646 -7.981 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.524 -7.435 6.197 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.362 -7.338 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.370 -6.083 6.114 1.00 0.00 H new ATOM 976 N LEU A 66 4.067 -9.398 5.116 1.00 0.00 N ATOM 977 CA LEU A 66 3.661 -10.138 3.926 1.00 0.00 C ATOM 978 C LEU A 66 4.874 -10.544 3.096 1.00 0.00 C ATOM 979 O LEU A 66 6.016 -10.336 3.506 1.00 0.00 O ATOM 980 CB LEU A 66 2.707 -9.295 3.078 1.00 0.00 C ATOM 981 CG LEU A 66 1.567 -10.053 2.397 1.00 0.00 C ATOM 982 CD1 LEU A 66 0.307 -9.999 3.247 1.00 0.00 C ATOM 983 CD2 LEU A 66 1.301 -9.484 1.010 1.00 0.00 C ATOM 0 H LEU A 66 3.825 -9.851 5.997 1.00 0.00 H new ATOM 0 HA LEU A 66 3.147 -11.043 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.274 -8.522 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.289 -8.787 2.309 1.00 0.00 H new ATOM 0 HG LEU A 66 1.864 -11.096 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.493 -10.544 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.503 -10.454 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.007 -8.961 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.487 -10.036 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.026 -8.433 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.200 -9.576 0.401 1.00 0.00 H new ATOM 995 N ARG A 67 4.619 -11.121 1.927 1.00 0.00 N ATOM 996 CA ARG A 67 5.691 -11.554 1.038 1.00 0.00 C ATOM 997 C ARG A 67 5.748 -10.680 -0.211 1.00 0.00 C ATOM 998 O ARG A 67 4.910 -9.800 -0.404 1.00 0.00 O ATOM 999 CB ARG A 67 5.492 -13.018 0.641 1.00 0.00 C ATOM 1000 CG ARG A 67 5.871 -14.003 1.735 1.00 0.00 C ATOM 1001 CD ARG A 67 6.309 -15.339 1.155 1.00 0.00 C ATOM 1002 NE ARG A 67 5.198 -16.058 0.537 1.00 0.00 N ATOM 1003 CZ ARG A 67 5.296 -17.296 0.066 1.00 0.00 C ATOM 1004 NH1 ARG A 67 6.447 -17.949 0.143 1.00 0.00 N ATOM 1005 NH2 ARG A 67 4.240 -17.883 -0.483 1.00 0.00 N ATOM 0 H ARG A 67 3.679 -11.300 1.573 1.00 0.00 H new ATOM 0 HA ARG A 67 6.636 -11.455 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.448 -13.173 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.087 -13.229 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.677 -13.586 2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.021 -14.155 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.091 -15.174 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.743 -15.952 1.945 1.00 0.00 H new ATOM 0 HE ARG A 67 4.298 -15.584 0.463 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.260 -17.501 0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.519 -18.900 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.353 -17.383 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.316 -18.834 -0.845 1.00 0.00 H new ATOM 1019 N TRP A 68 6.742 -10.930 -1.056 1.00 0.00 N ATOM 1020 CA TRP A 68 6.909 -10.165 -2.286 1.00 0.00 C ATOM 1021 C TRP A 68 5.613 -10.136 -3.089 1.00 0.00 C ATOM 1022 O TRP A 68 4.749 -11.002 -2.950 1.00 0.00 O ATOM 1023 CB TRP A 68 8.035 -10.762 -3.133 1.00 0.00 C ATOM 1024 CG TRP A 68 7.967 -12.255 -3.245 1.00 0.00 C ATOM 1025 CD1 TRP A 68 7.239 -12.977 -4.147 1.00 0.00 C ATOM 1026 CD2 TRP A 68 8.651 -13.207 -2.424 1.00 0.00 C ATOM 1027 NE1 TRP A 68 7.430 -14.321 -3.936 1.00 0.00 N ATOM 1028 CE2 TRP A 68 8.293 -14.489 -2.886 1.00 0.00 C ATOM 1029 CE3 TRP A 68 9.534 -13.103 -1.346 1.00 0.00 C ATOM 1030 CZ2 TRP A 68 8.786 -15.654 -2.305 1.00 0.00 C ATOM 1031 CZ3 TRP A 68 10.022 -14.260 -0.770 1.00 0.00 C ATOM 1032 CH2 TRP A 68 9.648 -15.522 -1.250 1.00 0.00 C ATOM 0 H TRP A 68 7.444 -11.656 -0.912 1.00 0.00 H new ATOM 0 HA TRP A 68 7.170 -9.142 -2.016 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.998 -10.328 -4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.995 -10.481 -2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.606 -12.554 -4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 68 6.999 -15.072 -4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 68 9.830 -12.135 -0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 8.498 -16.628 -2.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 10.704 -14.190 0.065 1.00 0.00 H new ATOM 0 HH2 TRP A 68 10.048 -16.408 -0.779 1.00 0.00 H new ATOM 1043 N PRO A 69 5.472 -9.117 -3.950 1.00 0.00 N ATOM 1044 CA PRO A 69 4.284 -8.952 -4.793 1.00 0.00 C ATOM 1045 C PRO A 69 4.194 -10.015 -5.883 1.00 0.00 C ATOM 1046 O PRO A 69 5.179 -10.683 -6.195 1.00 0.00 O ATOM 1047 CB PRO A 69 4.478 -7.566 -5.412 1.00 0.00 C ATOM 1048 CG PRO A 69 5.952 -7.347 -5.397 1.00 0.00 C ATOM 1049 CD PRO A 69 6.461 -8.049 -4.168 1.00 0.00 C ATOM 0 HA PRO A 69 3.361 -9.053 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.082 -7.527 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.958 -6.800 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.416 -7.750 -6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.188 -6.283 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.461 -8.453 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.518 -7.374 -3.314 1.00 0.00 H new ATOM 1057 N GLY A 70 3.006 -10.166 -6.460 1.00 0.00 N ATOM 1058 CA GLY A 70 2.810 -11.149 -7.509 1.00 0.00 C ATOM 1059 C GLY A 70 3.412 -10.714 -8.831 1.00 0.00 C ATOM 1060 O GLY A 70 4.038 -9.657 -8.919 1.00 0.00 O ATOM 0 H GLY A 70 2.176 -9.625 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.256 -12.095 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.743 -11.328 -7.640 1.00 0.00 H new ATOM 1064 N LEU A 71 3.226 -11.532 -9.861 1.00 0.00 N ATOM 1065 CA LEU A 71 3.758 -11.227 -11.185 1.00 0.00 C ATOM 1066 C LEU A 71 3.152 -9.938 -11.732 1.00 0.00 C ATOM 1067 O LEU A 71 2.480 -9.201 -11.010 1.00 0.00 O ATOM 1068 CB LEU A 71 3.479 -12.383 -12.147 1.00 0.00 C ATOM 1069 CG LEU A 71 4.611 -12.743 -13.110 1.00 0.00 C ATOM 1070 CD1 LEU A 71 4.541 -14.215 -13.489 1.00 0.00 C ATOM 1071 CD2 LEU A 71 4.552 -11.867 -14.353 1.00 0.00 C ATOM 0 H LEU A 71 2.711 -12.411 -9.805 1.00 0.00 H new ATOM 0 HA LEU A 71 4.836 -11.090 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.234 -13.268 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.595 -12.135 -12.734 1.00 0.00 H new ATOM 0 HG LEU A 71 5.561 -12.563 -12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.354 -14.453 -14.175 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.632 -14.827 -12.591 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.586 -14.421 -13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.365 -12.137 -15.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.597 -12.015 -14.858 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.651 -10.820 -14.066 1.00 0.00 H new TER 1083 LEU A 71