USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 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 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -84:sc= 0.776 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.835 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -136:sc= -0.144 (180deg=-2.23!) USER MOD Single : A 9 THR OG1 : rot -76:sc= -2.7! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 23:sc= 0.682 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 24 SER OG : rot -70:sc= 0.173 USER MOD Single : A 33 MET CE :methyl -117:sc= -4.75 (180deg=-7.23!) USER MOD Single : A 34 ASN : amide:sc= -4.81! C(o=-4.8!,f=-16!) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -1.02 (180deg=-1.2) USER MOD Single : A 40 ASN : amide:sc= -1.95! C(o=-2!,f=-4.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 19:sc= -1.13! USER MOD Single : A 56 SER OG : rot 180:sc= -1.68 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -58:sc= 1.02 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 78:sc= 0.669 USER MOD Single : A 68 TYR OH : rot -116:sc= -1.63 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 120:sc= -0.148 USER MOD Single : A 78 TYR OH : rot 11:sc= -0.553 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 136:sc= -3.25! (180deg=-11.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.403 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.916 -9.445 -0.978 1.00 0.00 N ATOM 2 CA ALA A 1 -14.890 -9.503 -2.429 1.00 0.00 C ATOM 3 C ALA A 1 -14.158 -8.275 -2.972 1.00 0.00 C ATOM 4 O ALA A 1 -14.743 -7.199 -3.088 1.00 0.00 O ATOM 5 CB ALA A 1 -16.321 -9.611 -2.962 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.413 -10.279 -0.606 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.942 -9.432 -0.614 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.411 -8.583 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.348 -10.386 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.301 -9.654 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.788 -10.515 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.894 -8.740 -2.644 1.00 0.00 H new ATOM 11 N SER A 2 -12.888 -8.475 -3.291 1.00 0.00 N ATOM 12 CA SER A 2 -12.068 -7.397 -3.819 1.00 0.00 C ATOM 13 C SER A 2 -11.946 -6.277 -2.783 1.00 0.00 C ATOM 14 O SER A 2 -12.940 -5.650 -2.423 1.00 0.00 O ATOM 15 CB SER A 2 -12.652 -6.851 -5.124 1.00 0.00 C ATOM 16 OG SER A 2 -12.149 -5.554 -5.432 1.00 0.00 O ATOM 0 H SER A 2 -12.406 -9.369 -3.194 1.00 0.00 H new ATOM 0 HA SER A 2 -11.076 -7.794 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.417 -7.534 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.738 -6.809 -5.046 1.00 0.00 H new ATOM 0 HG SER A 2 -12.544 -5.241 -6.272 1.00 0.00 H new ATOM 22 N VAL A 3 -10.719 -6.063 -2.334 1.00 0.00 N ATOM 23 CA VAL A 3 -10.454 -5.029 -1.346 1.00 0.00 C ATOM 24 C VAL A 3 -9.642 -3.906 -1.994 1.00 0.00 C ATOM 25 O VAL A 3 -9.200 -4.035 -3.135 1.00 0.00 O ATOM 26 CB VAL A 3 -9.762 -5.639 -0.125 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.608 -6.761 0.481 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.361 -6.139 -0.481 1.00 0.00 C ATOM 0 H VAL A 3 -9.897 -6.587 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.387 -4.592 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.657 -4.856 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.094 -7.177 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.574 -6.362 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.760 -7.544 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.892 -6.568 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.433 -6.900 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.759 -5.306 -0.844 1.00 0.00 H new ATOM 38 N GLN A 4 -9.471 -2.832 -1.240 1.00 0.00 N ATOM 39 CA GLN A 4 -8.720 -1.687 -1.727 1.00 0.00 C ATOM 40 C GLN A 4 -8.010 -0.986 -0.567 1.00 0.00 C ATOM 41 O GLN A 4 -8.449 -1.073 0.578 1.00 0.00 O ATOM 42 CB GLN A 4 -9.631 -0.714 -2.479 1.00 0.00 C ATOM 43 CG GLN A 4 -10.973 -0.554 -1.763 1.00 0.00 C ATOM 44 CD GLN A 4 -12.125 -1.047 -2.641 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.499 -2.208 -2.624 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.666 -0.102 -3.405 1.00 0.00 N ATOM 0 H GLN A 4 -9.839 -2.729 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.965 -2.044 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.142 0.256 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.797 -1.076 -3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.959 -1.113 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.129 0.494 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.304 0.851 -3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.443 -0.330 -4.025 1.00 0.00 H new ATOM 55 N ILE A 5 -6.922 -0.309 -0.905 1.00 0.00 N ATOM 56 CA ILE A 5 -6.145 0.406 0.094 1.00 0.00 C ATOM 57 C ILE A 5 -6.109 1.894 -0.263 1.00 0.00 C ATOM 58 O ILE A 5 -5.595 2.271 -1.313 1.00 0.00 O ATOM 59 CB ILE A 5 -4.759 -0.224 0.247 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.807 -1.436 1.178 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.733 0.814 0.708 1.00 0.00 C ATOM 62 CD1 ILE A 5 -5.323 -1.042 2.564 1.00 0.00 C ATOM 0 H ILE A 5 -6.560 -0.240 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.616 0.324 1.073 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.437 -0.583 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.453 -2.203 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.811 -1.871 1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.756 0.340 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.673 1.617 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.038 1.225 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.347 -1.922 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.661 -0.293 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.328 -0.630 2.474 1.00 0.00 H new ATOM 74 N LYS A 6 -6.663 2.698 0.634 1.00 0.00 N ATOM 75 CA LYS A 6 -6.700 4.135 0.426 1.00 0.00 C ATOM 76 C LYS A 6 -5.464 4.770 1.064 1.00 0.00 C ATOM 77 O LYS A 6 -4.890 4.217 2.001 1.00 0.00 O ATOM 78 CB LYS A 6 -8.021 4.715 0.935 1.00 0.00 C ATOM 79 CG LYS A 6 -9.002 4.941 -0.217 1.00 0.00 C ATOM 80 CD LYS A 6 -10.378 5.356 0.307 1.00 0.00 C ATOM 81 CE LYS A 6 -11.084 6.285 -0.682 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.454 5.801 -0.961 1.00 0.00 N ATOM 0 H LYS A 6 -7.089 2.381 1.505 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.665 4.367 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.462 4.037 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.834 5.658 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.615 5.712 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.093 4.028 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.989 4.469 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.269 5.858 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.125 7.295 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.515 6.338 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.919 6.443 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.408 4.846 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.999 5.773 -0.076 1.00 0.00 H new ATOM 96 N MET A 7 -5.088 5.924 0.531 1.00 0.00 N ATOM 97 CA MET A 7 -3.929 6.640 1.036 1.00 0.00 C ATOM 98 C MET A 7 -4.276 8.101 1.334 1.00 0.00 C ATOM 99 O MET A 7 -4.492 8.892 0.418 1.00 0.00 O ATOM 100 CB MET A 7 -2.803 6.583 0.002 1.00 0.00 C ATOM 101 CG MET A 7 -2.030 5.267 0.106 1.00 0.00 C ATOM 102 SD MET A 7 -2.913 3.972 -0.748 1.00 0.00 S ATOM 103 CE MET A 7 -2.108 4.047 -2.340 1.00 0.00 C ATOM 0 H MET A 7 -5.566 6.381 -0.246 1.00 0.00 H new ATOM 0 HA MET A 7 -3.607 6.166 1.963 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.219 6.686 -1.000 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.123 7.421 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.035 5.385 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.895 4.997 1.153 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.857 3.988 -3.130 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.561 4.986 -2.427 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.413 3.212 -2.436 1.00 0.00 H new ATOM 113 N GLY A 8 -4.317 8.414 2.621 1.00 0.00 N ATOM 114 CA GLY A 8 -4.632 9.766 3.052 1.00 0.00 C ATOM 115 C GLY A 8 -6.072 9.856 3.564 1.00 0.00 C ATOM 116 O GLY A 8 -6.994 9.353 2.925 1.00 0.00 O ATOM 0 H GLY A 8 -4.138 7.755 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.942 10.071 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.493 10.458 2.221 1.00 0.00 H new ATOM 120 N THR A 9 -6.218 10.502 4.711 1.00 0.00 N ATOM 121 CA THR A 9 -7.529 10.664 5.316 1.00 0.00 C ATOM 122 C THR A 9 -8.121 12.025 4.947 1.00 0.00 C ATOM 123 O THR A 9 -7.386 12.965 4.648 1.00 0.00 O ATOM 124 CB THR A 9 -7.384 10.452 6.825 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.173 11.125 7.154 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.110 8.992 7.187 1.00 0.00 C ATOM 0 H THR A 9 -5.450 10.919 5.237 1.00 0.00 H new ATOM 0 HA THR A 9 -8.234 9.924 4.937 1.00 0.00 H new ATOM 0 HB THR A 9 -8.292 10.786 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.409 10.583 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.016 8.897 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.934 8.370 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.184 8.667 6.712 1.00 0.00 H new ATOM 134 N ASP A 10 -9.445 12.089 4.981 1.00 0.00 N ATOM 135 CA ASP A 10 -10.144 13.320 4.655 1.00 0.00 C ATOM 136 C ASP A 10 -9.870 14.361 5.742 1.00 0.00 C ATOM 137 O ASP A 10 -10.250 15.523 5.604 1.00 0.00 O ATOM 138 CB ASP A 10 -11.655 13.094 4.586 1.00 0.00 C ATOM 139 CG ASP A 10 -12.479 14.333 4.231 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.098 15.006 3.248 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.472 14.579 4.949 1.00 0.00 O ATOM 0 H ASP A 10 -10.051 11.307 5.230 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.786 13.663 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.858 12.318 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.995 12.714 5.550 1.00 0.00 H new ATOM 146 N LYS A 11 -9.214 13.906 6.800 1.00 0.00 N ATOM 147 CA LYS A 11 -8.885 14.783 7.910 1.00 0.00 C ATOM 148 C LYS A 11 -7.514 15.417 7.666 1.00 0.00 C ATOM 149 O LYS A 11 -6.828 15.805 8.610 1.00 0.00 O ATOM 150 CB LYS A 11 -8.986 14.029 9.238 1.00 0.00 C ATOM 151 CG LYS A 11 -10.270 14.397 9.981 1.00 0.00 C ATOM 152 CD LYS A 11 -10.724 13.254 10.892 1.00 0.00 C ATOM 153 CE LYS A 11 -10.768 13.702 12.354 1.00 0.00 C ATOM 154 NZ LYS A 11 -11.452 12.687 13.187 1.00 0.00 N ATOM 0 H LYS A 11 -8.902 12.941 6.911 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.606 15.598 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.964 12.955 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.122 14.263 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.106 15.296 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.056 14.628 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.711 12.909 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.044 12.409 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.755 13.861 12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.289 14.656 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.473 13.007 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.425 12.556 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.939 11.785 13.126 1.00 0.00 H new ATOM 168 N TYR A 12 -7.155 15.503 6.393 1.00 0.00 N ATOM 169 CA TYR A 12 -5.879 16.083 6.012 1.00 0.00 C ATOM 170 C TYR A 12 -4.726 15.407 6.756 1.00 0.00 C ATOM 171 O TYR A 12 -3.868 16.081 7.323 1.00 0.00 O ATOM 172 CB TYR A 12 -5.944 17.554 6.426 1.00 0.00 C ATOM 173 CG TYR A 12 -7.231 18.263 6.000 1.00 0.00 C ATOM 174 CD1 TYR A 12 -7.306 18.875 4.766 1.00 0.00 C ATOM 175 CD2 TYR A 12 -8.317 18.293 6.851 1.00 0.00 C ATOM 176 CE1 TYR A 12 -8.517 19.543 4.365 1.00 0.00 C ATOM 177 CE2 TYR A 12 -9.529 18.960 6.451 1.00 0.00 C ATOM 178 CZ TYR A 12 -9.568 19.553 5.228 1.00 0.00 C ATOM 179 OH TYR A 12 -10.713 20.183 4.849 1.00 0.00 O ATOM 0 H TYR A 12 -7.726 15.180 5.612 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.704 15.957 4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.846 17.621 7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.092 18.080 5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.456 18.853 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.258 17.816 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.589 20.025 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.387 18.989 7.107 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.379 20.109 5.564 1.00 0.00 H new ATOM 189 N ALA A 13 -4.743 14.082 6.732 1.00 0.00 N ATOM 190 CA ALA A 13 -3.710 13.307 7.397 1.00 0.00 C ATOM 191 C ALA A 13 -3.264 12.166 6.481 1.00 0.00 C ATOM 192 O ALA A 13 -4.081 11.356 6.049 1.00 0.00 O ATOM 193 CB ALA A 13 -4.236 12.802 8.742 1.00 0.00 C ATOM 0 H ALA A 13 -5.457 13.525 6.262 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.837 13.927 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.461 12.220 9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.511 13.651 9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.111 12.174 8.578 1.00 0.00 H new ATOM 199 N PRO A 14 -1.932 12.140 6.202 1.00 0.00 N ATOM 200 CA PRO A 14 -1.367 11.112 5.344 1.00 0.00 C ATOM 201 C PRO A 14 -1.275 9.774 6.080 1.00 0.00 C ATOM 202 O PRO A 14 -0.482 9.624 7.007 1.00 0.00 O ATOM 203 CB PRO A 14 -0.011 11.653 4.924 1.00 0.00 C ATOM 204 CG PRO A 14 0.332 12.744 5.926 1.00 0.00 C ATOM 205 CD PRO A 14 -0.933 13.084 6.696 1.00 0.00 C ATOM 0 HA PRO A 14 -1.986 10.905 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.743 10.866 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.047 12.051 3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.114 12.406 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.716 13.626 5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.784 12.977 7.770 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.240 14.115 6.518 1.00 0.00 H new ATOM 213 N LEU A 15 -2.099 8.835 5.637 1.00 0.00 N ATOM 214 CA LEU A 15 -2.121 7.513 6.242 1.00 0.00 C ATOM 215 C LEU A 15 -2.976 6.579 5.384 1.00 0.00 C ATOM 216 O LEU A 15 -3.903 7.024 4.709 1.00 0.00 O ATOM 217 CB LEU A 15 -2.576 7.599 7.700 1.00 0.00 C ATOM 218 CG LEU A 15 -3.975 8.176 7.933 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.861 7.180 8.684 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.898 9.527 8.648 1.00 0.00 C ATOM 0 H LEU A 15 -2.756 8.963 4.867 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.117 7.090 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.541 6.598 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.857 8.208 8.249 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.439 8.351 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.849 7.615 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.954 6.264 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.412 6.951 9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.905 9.915 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.407 9.401 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.327 10.229 8.040 1.00 0.00 H new ATOM 232 N TYR A 16 -2.634 5.300 5.438 1.00 0.00 N ATOM 233 CA TYR A 16 -3.359 4.299 4.674 1.00 0.00 C ATOM 234 C TYR A 16 -4.649 3.893 5.389 1.00 0.00 C ATOM 235 O TYR A 16 -4.660 3.718 6.607 1.00 0.00 O ATOM 236 CB TYR A 16 -2.434 3.084 4.587 1.00 0.00 C ATOM 237 CG TYR A 16 -1.332 3.216 3.533 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.602 2.925 2.211 1.00 0.00 C ATOM 239 CD2 TYR A 16 -0.068 3.625 3.905 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.566 3.049 1.220 1.00 0.00 C ATOM 241 CE2 TYR A 16 0.969 3.749 2.913 1.00 0.00 C ATOM 242 CZ TYR A 16 0.669 3.455 1.619 1.00 0.00 C ATOM 243 OH TYR A 16 1.649 3.573 0.684 1.00 0.00 O ATOM 0 H TYR A 16 -1.865 4.934 5.999 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.632 4.688 3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.973 2.920 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.032 2.200 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.591 2.604 1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.144 3.852 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.765 2.825 0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.963 4.068 3.190 1.00 0.00 H new ATOM 0 HH TYR A 16 1.244 3.687 -0.201 1.00 0.00 H new ATOM 253 N GLU A 17 -5.705 3.751 4.601 1.00 0.00 N ATOM 254 CA GLU A 17 -6.997 3.367 5.144 1.00 0.00 C ATOM 255 C GLU A 17 -7.600 2.226 4.323 1.00 0.00 C ATOM 256 O GLU A 17 -7.721 2.331 3.103 1.00 0.00 O ATOM 257 CB GLU A 17 -7.948 4.566 5.196 1.00 0.00 C ATOM 258 CG GLU A 17 -9.021 4.368 6.269 1.00 0.00 C ATOM 259 CD GLU A 17 -9.900 5.613 6.401 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.380 6.622 6.924 1.00 0.00 O ATOM 261 OE2 GLU A 17 -11.072 5.527 5.976 1.00 0.00 O ATOM 0 H GLU A 17 -5.692 3.895 3.591 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.850 3.016 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.383 5.474 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.421 4.702 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.639 3.507 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.547 4.150 7.226 1.00 0.00 H new ATOM 268 N PRO A 18 -7.973 1.135 5.043 1.00 0.00 N ATOM 269 CA PRO A 18 -7.796 1.093 6.484 1.00 0.00 C ATOM 270 C PRO A 18 -6.326 0.875 6.850 1.00 0.00 C ATOM 271 O PRO A 18 -5.466 0.821 5.972 1.00 0.00 O ATOM 272 CB PRO A 18 -8.699 -0.034 6.960 1.00 0.00 C ATOM 273 CG PRO A 18 -8.990 -0.881 5.731 1.00 0.00 C ATOM 274 CD PRO A 18 -8.571 -0.085 4.506 1.00 0.00 C ATOM 0 HA PRO A 18 -8.065 2.032 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.211 -0.625 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.620 0.359 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.444 -1.823 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.050 -1.129 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.858 -0.641 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.426 0.140 3.869 1.00 0.00 H new ATOM 282 N LYS A 19 -6.084 0.757 8.147 1.00 0.00 N ATOM 283 CA LYS A 19 -4.733 0.546 8.640 1.00 0.00 C ATOM 284 C LYS A 19 -4.471 -0.955 8.773 1.00 0.00 C ATOM 285 O LYS A 19 -3.645 -1.375 9.581 1.00 0.00 O ATOM 286 CB LYS A 19 -4.507 1.328 9.936 1.00 0.00 C ATOM 287 CG LYS A 19 -5.233 0.664 11.108 1.00 0.00 C ATOM 288 CD LYS A 19 -4.390 0.732 12.384 1.00 0.00 C ATOM 289 CE LYS A 19 -3.141 -0.143 12.263 1.00 0.00 C ATOM 290 NZ LYS A 19 -3.421 -1.515 12.742 1.00 0.00 N ATOM 0 H LYS A 19 -6.800 0.803 8.872 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.003 0.935 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.440 1.385 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.863 2.351 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.191 1.157 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.448 -0.377 10.865 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.098 1.764 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.986 0.405 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.811 -0.174 11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.327 0.292 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.563 -2.096 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.714 -1.481 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.183 -1.933 12.171 1.00 0.00 H new ATOM 304 N ALA A 20 -5.190 -1.722 7.967 1.00 0.00 N ATOM 305 CA ALA A 20 -5.046 -3.168 7.985 1.00 0.00 C ATOM 306 C ALA A 20 -6.072 -3.790 7.035 1.00 0.00 C ATOM 307 O ALA A 20 -7.229 -3.374 7.006 1.00 0.00 O ATOM 308 CB ALA A 20 -5.194 -3.679 9.420 1.00 0.00 C ATOM 0 H ALA A 20 -5.874 -1.370 7.297 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.055 -3.459 7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.086 -4.764 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.424 -3.230 10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.178 -3.408 9.803 1.00 0.00 H new ATOM 314 N LEU A 21 -5.610 -4.777 6.281 1.00 0.00 N ATOM 315 CA LEU A 21 -6.474 -5.461 5.333 1.00 0.00 C ATOM 316 C LEU A 21 -6.128 -6.951 5.319 1.00 0.00 C ATOM 317 O LEU A 21 -4.983 -7.330 5.560 1.00 0.00 O ATOM 318 CB LEU A 21 -6.389 -4.798 3.957 1.00 0.00 C ATOM 319 CG LEU A 21 -6.895 -5.631 2.778 1.00 0.00 C ATOM 320 CD1 LEU A 21 -8.421 -5.737 2.796 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.374 -5.077 1.450 1.00 0.00 C ATOM 0 H LEU A 21 -4.649 -5.119 6.307 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.517 -5.378 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.956 -3.868 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.349 -4.531 3.768 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.501 -6.642 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.754 -6.334 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.742 -6.213 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.856 -4.740 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.749 -5.688 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.717 -4.050 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.284 -5.098 1.450 1.00 0.00 H new ATOM 333 N SER A 22 -7.142 -7.757 5.034 1.00 0.00 N ATOM 334 CA SER A 22 -6.960 -9.198 4.986 1.00 0.00 C ATOM 335 C SER A 22 -7.607 -9.765 3.721 1.00 0.00 C ATOM 336 O SER A 22 -8.627 -9.255 3.259 1.00 0.00 O ATOM 337 CB SER A 22 -7.546 -9.869 6.230 1.00 0.00 C ATOM 338 OG SER A 22 -7.087 -11.210 6.379 1.00 0.00 O ATOM 0 H SER A 22 -8.091 -7.439 4.834 1.00 0.00 H new ATOM 0 HA SER A 22 -5.891 -9.407 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.275 -9.293 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.634 -9.863 6.167 1.00 0.00 H new ATOM 0 HG SER A 22 -7.482 -11.603 7.185 1.00 0.00 H new ATOM 344 N ILE A 23 -6.990 -10.813 3.197 1.00 0.00 N ATOM 345 CA ILE A 23 -7.494 -11.455 1.995 1.00 0.00 C ATOM 346 C ILE A 23 -7.003 -12.904 1.951 1.00 0.00 C ATOM 347 O ILE A 23 -6.373 -13.378 2.895 1.00 0.00 O ATOM 348 CB ILE A 23 -7.119 -10.641 0.755 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.600 -10.551 0.597 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.775 -9.258 0.789 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.222 -10.110 -0.819 1.00 0.00 C ATOM 0 H ILE A 23 -6.145 -11.234 3.583 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.583 -11.487 2.009 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.504 -11.159 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.196 -9.844 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.150 -11.520 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.493 -8.699 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.859 -9.370 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.441 -8.719 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.137 -10.054 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.606 -10.832 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.653 -9.130 -1.022 1.00 0.00 H new ATOM 363 N SER A 24 -7.309 -13.565 0.845 1.00 0.00 N ATOM 364 CA SER A 24 -6.906 -14.949 0.665 1.00 0.00 C ATOM 365 C SER A 24 -5.970 -15.071 -0.538 1.00 0.00 C ATOM 366 O SER A 24 -5.813 -14.122 -1.306 1.00 0.00 O ATOM 367 CB SER A 24 -8.124 -15.858 0.483 1.00 0.00 C ATOM 368 OG SER A 24 -9.121 -15.620 1.473 1.00 0.00 O ATOM 0 H SER A 24 -7.831 -13.168 0.064 1.00 0.00 H new ATOM 0 HA SER A 24 -6.377 -15.269 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.551 -15.698 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.809 -16.900 0.530 1.00 0.00 H new ATOM 0 HG SER A 24 -8.800 -15.937 2.343 1.00 0.00 H new ATOM 374 N ALA A 25 -5.371 -16.245 -0.666 1.00 0.00 N ATOM 375 CA ALA A 25 -4.454 -16.503 -1.763 1.00 0.00 C ATOM 376 C ALA A 25 -5.238 -16.561 -3.076 1.00 0.00 C ATOM 377 O ALA A 25 -5.917 -17.549 -3.354 1.00 0.00 O ATOM 378 CB ALA A 25 -3.679 -17.792 -1.490 1.00 0.00 C ATOM 0 H ALA A 25 -5.503 -17.029 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.725 -15.697 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.991 -17.985 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.115 -17.688 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.377 -18.624 -1.398 1.00 0.00 H new ATOM 384 N GLY A 26 -5.121 -15.490 -3.848 1.00 0.00 N ATOM 385 CA GLY A 26 -5.810 -15.407 -5.123 1.00 0.00 C ATOM 386 C GLY A 26 -6.690 -14.158 -5.190 1.00 0.00 C ATOM 387 O GLY A 26 -7.257 -13.849 -6.238 1.00 0.00 O ATOM 0 H GLY A 26 -4.558 -14.672 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.081 -15.387 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.423 -16.296 -5.268 1.00 0.00 H new ATOM 391 N ASP A 27 -6.776 -13.471 -4.061 1.00 0.00 N ATOM 392 CA ASP A 27 -7.576 -12.261 -3.978 1.00 0.00 C ATOM 393 C ASP A 27 -6.788 -11.092 -4.571 1.00 0.00 C ATOM 394 O ASP A 27 -5.617 -11.240 -4.917 1.00 0.00 O ATOM 395 CB ASP A 27 -7.909 -11.919 -2.525 1.00 0.00 C ATOM 396 CG ASP A 27 -9.018 -12.765 -1.898 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.232 -13.887 -2.406 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.628 -12.271 -0.926 1.00 0.00 O ATOM 0 H ASP A 27 -6.304 -13.730 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.501 -12.430 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.005 -12.030 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.200 -10.870 -2.472 1.00 0.00 H new ATOM 403 N THR A 28 -7.462 -9.955 -4.671 1.00 0.00 N ATOM 404 CA THR A 28 -6.840 -8.761 -5.216 1.00 0.00 C ATOM 405 C THR A 28 -6.887 -7.622 -4.196 1.00 0.00 C ATOM 406 O THR A 28 -7.753 -7.602 -3.323 1.00 0.00 O ATOM 407 CB THR A 28 -7.537 -8.425 -6.536 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.526 -9.654 -7.257 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.714 -7.474 -7.407 1.00 0.00 C ATOM 0 H THR A 28 -8.433 -9.836 -4.383 1.00 0.00 H new ATOM 0 HA THR A 28 -5.783 -8.925 -5.423 1.00 0.00 H new ATOM 0 HB THR A 28 -8.509 -7.978 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.667 -9.756 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.254 -7.268 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.547 -6.541 -6.869 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.754 -7.934 -7.642 1.00 0.00 H new ATOM 417 N VAL A 29 -5.946 -6.701 -4.341 1.00 0.00 N ATOM 418 CA VAL A 29 -5.870 -5.561 -3.444 1.00 0.00 C ATOM 419 C VAL A 29 -5.621 -4.291 -4.259 1.00 0.00 C ATOM 420 O VAL A 29 -4.522 -4.084 -4.773 1.00 0.00 O ATOM 421 CB VAL A 29 -4.800 -5.806 -2.376 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.659 -4.594 -1.453 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.104 -7.074 -1.576 1.00 0.00 C ATOM 0 H VAL A 29 -5.229 -6.721 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.814 -5.428 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.847 -5.952 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.893 -4.794 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.373 -3.721 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.610 -4.402 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.329 -7.225 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.071 -6.971 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.129 -7.931 -2.249 1.00 0.00 H new ATOM 433 N GLU A 30 -6.659 -3.474 -4.352 1.00 0.00 N ATOM 434 CA GLU A 30 -6.567 -2.229 -5.096 1.00 0.00 C ATOM 435 C GLU A 30 -5.974 -1.127 -4.216 1.00 0.00 C ATOM 436 O GLU A 30 -5.854 -1.292 -3.004 1.00 0.00 O ATOM 437 CB GLU A 30 -7.934 -1.816 -5.646 1.00 0.00 C ATOM 438 CG GLU A 30 -7.794 -1.118 -6.999 1.00 0.00 C ATOM 439 CD GLU A 30 -8.558 0.209 -7.014 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.767 0.163 -7.330 1.00 0.00 O ATOM 441 OE2 GLU A 30 -7.916 1.237 -6.709 1.00 0.00 O ATOM 0 H GLU A 30 -7.568 -3.649 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.903 -2.385 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.568 -2.696 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.428 -1.150 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.740 -0.937 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.172 -1.768 -7.788 1.00 0.00 H new ATOM 448 N PHE A 31 -5.618 -0.026 -4.863 1.00 0.00 N ATOM 449 CA PHE A 31 -5.040 1.104 -4.154 1.00 0.00 C ATOM 450 C PHE A 31 -5.472 2.427 -4.787 1.00 0.00 C ATOM 451 O PHE A 31 -5.351 2.610 -5.998 1.00 0.00 O ATOM 452 CB PHE A 31 -3.520 0.971 -4.265 1.00 0.00 C ATOM 453 CG PHE A 31 -2.915 -0.065 -3.316 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.966 -1.388 -3.630 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.323 0.336 -2.159 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.404 -2.349 -2.749 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.761 -0.625 -1.278 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.813 -1.948 -1.591 1.00 0.00 C ATOM 0 H PHE A 31 -5.719 0.107 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.374 1.103 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.263 0.704 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.065 1.941 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.434 -1.707 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.280 1.386 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.446 -3.399 -2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.292 -0.306 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.386 -2.679 -0.921 1.00 0.00 H new ATOM 468 N VAL A 32 -5.968 3.318 -3.940 1.00 0.00 N ATOM 469 CA VAL A 32 -6.419 4.619 -4.402 1.00 0.00 C ATOM 470 C VAL A 32 -5.824 5.708 -3.506 1.00 0.00 C ATOM 471 O VAL A 32 -5.799 5.567 -2.285 1.00 0.00 O ATOM 472 CB VAL A 32 -7.948 4.656 -4.451 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.541 4.684 -3.041 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.441 5.845 -5.278 1.00 0.00 C ATOM 0 H VAL A 32 -6.067 3.164 -2.937 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.070 4.806 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.290 3.744 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.629 4.710 -3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.230 3.791 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.187 5.570 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.531 5.848 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.083 6.772 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.061 5.763 -6.296 1.00 0.00 H new ATOM 484 N MET A 33 -5.358 6.769 -4.149 1.00 0.00 N ATOM 485 CA MET A 33 -4.764 7.880 -3.425 1.00 0.00 C ATOM 486 C MET A 33 -5.818 8.936 -3.080 1.00 0.00 C ATOM 487 O MET A 33 -6.198 9.739 -3.930 1.00 0.00 O ATOM 488 CB MET A 33 -3.665 8.517 -4.279 1.00 0.00 C ATOM 489 CG MET A 33 -2.306 8.420 -3.583 1.00 0.00 C ATOM 490 SD MET A 33 -1.426 9.965 -3.747 1.00 0.00 S ATOM 491 CE MET A 33 -2.642 11.088 -3.079 1.00 0.00 C ATOM 0 H MET A 33 -5.380 6.883 -5.162 1.00 0.00 H new ATOM 0 HA MET A 33 -4.340 7.499 -2.496 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.618 8.020 -5.248 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.907 9.563 -4.469 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.444 8.181 -2.529 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.721 7.610 -4.020 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.955 11.788 -3.854 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.506 10.523 -2.730 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.208 11.640 -2.245 1.00 0.00 H new ATOM 501 N ASN A 34 -6.259 8.899 -1.831 1.00 0.00 N ATOM 502 CA ASN A 34 -7.261 9.842 -1.364 1.00 0.00 C ATOM 503 C ASN A 34 -6.757 11.268 -1.589 1.00 0.00 C ATOM 504 O ASN A 34 -7.235 11.966 -2.483 1.00 0.00 O ATOM 505 CB ASN A 34 -7.527 9.665 0.132 1.00 0.00 C ATOM 506 CG ASN A 34 -8.748 8.776 0.371 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.987 7.803 -0.327 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.507 9.162 1.392 1.00 0.00 N ATOM 0 H ASN A 34 -5.941 8.231 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.181 9.659 -1.919 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.653 9.224 0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.686 10.639 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.346 8.634 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.250 9.986 1.936 1.00 0.00 H new ATOM 515 N LYS A 35 -5.797 11.660 -0.764 1.00 0.00 N ATOM 516 CA LYS A 35 -5.223 12.991 -0.863 1.00 0.00 C ATOM 517 C LYS A 35 -3.986 13.077 0.033 1.00 0.00 C ATOM 518 O LYS A 35 -3.521 12.063 0.555 1.00 0.00 O ATOM 519 CB LYS A 35 -6.279 14.055 -0.555 1.00 0.00 C ATOM 520 CG LYS A 35 -7.306 13.532 0.452 1.00 0.00 C ATOM 521 CD LYS A 35 -6.692 13.413 1.849 1.00 0.00 C ATOM 522 CE LYS A 35 -7.057 14.622 2.713 1.00 0.00 C ATOM 523 NZ LYS A 35 -6.921 15.875 1.937 1.00 0.00 N ATOM 0 H LYS A 35 -5.402 11.079 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.893 13.187 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.796 14.948 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.784 14.349 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.164 14.203 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.675 12.559 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.044 12.499 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.608 13.333 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.080 14.521 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.410 14.658 3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.040 16.691 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.979 15.911 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.649 15.905 1.195 1.00 0.00 H new ATOM 537 N VAL A 36 -3.487 14.294 0.186 1.00 0.00 N ATOM 538 CA VAL A 36 -2.313 14.525 1.011 1.00 0.00 C ATOM 539 C VAL A 36 -1.091 13.894 0.339 1.00 0.00 C ATOM 540 O VAL A 36 -0.056 13.706 0.975 1.00 0.00 O ATOM 541 CB VAL A 36 -2.556 13.996 2.426 1.00 0.00 C ATOM 542 CG1 VAL A 36 -1.414 14.395 3.363 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.903 14.477 2.967 1.00 0.00 C ATOM 0 H VAL A 36 -3.874 15.132 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.117 15.593 1.106 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.585 12.907 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.611 14.007 4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.477 13.981 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.340 15.482 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.051 14.087 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.916 15.567 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.704 14.121 2.319 1.00 0.00 H new ATOM 553 N GLY A 37 -1.253 13.584 -0.940 1.00 0.00 N ATOM 554 CA GLY A 37 -0.177 12.979 -1.705 1.00 0.00 C ATOM 555 C GLY A 37 0.960 13.977 -1.936 1.00 0.00 C ATOM 556 O GLY A 37 1.014 15.023 -1.291 1.00 0.00 O ATOM 0 H GLY A 37 -2.114 13.741 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.203 12.105 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.560 12.630 -2.664 1.00 0.00 H new ATOM 560 N PRO A 38 1.864 13.609 -2.883 1.00 0.00 N ATOM 561 CA PRO A 38 1.727 12.354 -3.601 1.00 0.00 C ATOM 562 C PRO A 38 2.120 11.170 -2.716 1.00 0.00 C ATOM 563 O PRO A 38 2.802 11.343 -1.707 1.00 0.00 O ATOM 564 CB PRO A 38 2.615 12.501 -4.826 1.00 0.00 C ATOM 565 CG PRO A 38 3.572 13.640 -4.512 1.00 0.00 C ATOM 566 CD PRO A 38 3.037 14.375 -3.294 1.00 0.00 C ATOM 0 HA PRO A 38 0.698 12.149 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.159 11.578 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.023 12.722 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.573 13.255 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.652 14.317 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.781 14.417 -2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.772 15.404 -3.537 1.00 0.00 H new ATOM 574 N HIS A 39 1.675 9.991 -3.126 1.00 0.00 N ATOM 575 CA HIS A 39 1.973 8.778 -2.383 1.00 0.00 C ATOM 576 C HIS A 39 2.475 7.698 -3.343 1.00 0.00 C ATOM 577 O HIS A 39 2.840 7.994 -4.480 1.00 0.00 O ATOM 578 CB HIS A 39 0.758 8.329 -1.569 1.00 0.00 C ATOM 579 CG HIS A 39 0.176 9.408 -0.687 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.923 10.085 0.262 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.086 9.920 -0.620 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.136 10.962 0.866 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.110 10.858 0.320 1.00 0.00 N ATOM 0 H HIS A 39 1.110 9.850 -3.964 1.00 0.00 H new ATOM 0 HA HIS A 39 2.768 8.973 -1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.015 7.977 -2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.044 7.481 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.924 9.614 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.429 11.641 1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.925 11.409 0.589 1.00 0.00 H new ATOM 591 N ASN A 40 2.479 6.469 -2.850 1.00 0.00 N ATOM 592 CA ASN A 40 2.931 5.343 -3.649 1.00 0.00 C ATOM 593 C ASN A 40 2.788 4.055 -2.836 1.00 0.00 C ATOM 594 O ASN A 40 2.259 4.073 -1.726 1.00 0.00 O ATOM 595 CB ASN A 40 4.404 5.497 -4.035 1.00 0.00 C ATOM 596 CG ASN A 40 5.179 6.247 -2.950 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.746 6.373 -1.816 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.344 6.740 -3.360 1.00 0.00 N ATOM 0 H ASN A 40 2.176 6.228 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 40 2.323 5.306 -4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.848 4.514 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.482 6.035 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.935 7.260 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.647 6.598 -4.324 1.00 0.00 H new ATOM 605 N VAL A 41 3.268 2.967 -3.421 1.00 0.00 N ATOM 606 CA VAL A 41 3.199 1.673 -2.765 1.00 0.00 C ATOM 607 C VAL A 41 4.592 1.039 -2.749 1.00 0.00 C ATOM 608 O VAL A 41 4.911 0.211 -3.601 1.00 0.00 O ATOM 609 CB VAL A 41 2.150 0.793 -3.448 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.032 -0.563 -2.750 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.795 1.502 -3.505 1.00 0.00 C ATOM 0 H VAL A 41 3.706 2.956 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 41 2.881 1.788 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 41 2.478 0.613 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.280 -1.168 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.994 -1.075 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.739 -0.413 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.067 0.856 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.459 1.726 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.893 2.430 -4.068 1.00 0.00 H new ATOM 621 N ILE A 42 5.385 1.453 -1.772 1.00 0.00 N ATOM 622 CA ILE A 42 6.736 0.937 -1.635 1.00 0.00 C ATOM 623 C ILE A 42 6.777 -0.074 -0.487 1.00 0.00 C ATOM 624 O ILE A 42 7.299 0.222 0.587 1.00 0.00 O ATOM 625 CB ILE A 42 7.735 2.085 -1.479 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.657 3.044 -2.670 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.154 1.552 -1.265 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.231 2.399 -3.932 1.00 0.00 C ATOM 0 H ILE A 42 5.118 2.140 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 42 7.034 0.406 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 42 7.467 2.653 -0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.620 3.330 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.206 3.958 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.844 2.389 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.181 0.941 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.449 0.947 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.163 3.101 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.275 2.136 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.664 1.499 -4.171 1.00 0.00 H new ATOM 640 N PHE A 43 6.220 -1.246 -0.753 1.00 0.00 N ATOM 641 CA PHE A 43 6.187 -2.301 0.245 1.00 0.00 C ATOM 642 C PHE A 43 7.483 -2.331 1.056 1.00 0.00 C ATOM 643 O PHE A 43 8.517 -1.847 0.598 1.00 0.00 O ATOM 644 CB PHE A 43 6.040 -3.625 -0.508 1.00 0.00 C ATOM 645 CG PHE A 43 4.703 -3.782 -1.236 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.569 -4.030 -0.526 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.648 -3.674 -2.590 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.328 -4.177 -1.202 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.408 -3.820 -3.264 1.00 0.00 C ATOM 650 CZ PHE A 43 2.274 -4.068 -2.556 1.00 0.00 C ATOM 0 H PHE A 43 5.788 -1.488 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 43 5.362 -2.132 0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.849 -3.710 -1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.156 -4.447 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.612 -4.115 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.548 -3.477 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.427 -4.375 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.365 -3.734 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.330 -4.178 -3.069 1.00 0.00 H new ATOM 660 N ASP A 44 7.387 -2.904 2.247 1.00 0.00 N ATOM 661 CA ASP A 44 8.539 -3.003 3.126 1.00 0.00 C ATOM 662 C ASP A 44 9.274 -4.316 2.850 1.00 0.00 C ATOM 663 O ASP A 44 10.494 -4.327 2.693 1.00 0.00 O ATOM 664 CB ASP A 44 8.114 -3.000 4.595 1.00 0.00 C ATOM 665 CG ASP A 44 9.108 -2.344 5.556 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.291 -2.747 5.511 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.663 -1.454 6.313 1.00 0.00 O ATOM 0 H ASP A 44 6.528 -3.305 2.624 1.00 0.00 H new ATOM 0 HA ASP A 44 9.183 -2.144 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.157 -2.485 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.951 -4.030 4.912 1.00 0.00 H new ATOM 672 N LYS A 45 8.502 -5.391 2.798 1.00 0.00 N ATOM 673 CA LYS A 45 9.064 -6.706 2.544 1.00 0.00 C ATOM 674 C LYS A 45 8.005 -7.773 2.829 1.00 0.00 C ATOM 675 O LYS A 45 7.127 -7.573 3.668 1.00 0.00 O ATOM 676 CB LYS A 45 10.359 -6.897 3.336 1.00 0.00 C ATOM 677 CG LYS A 45 11.569 -6.963 2.402 1.00 0.00 C ATOM 678 CD LYS A 45 12.796 -7.511 3.132 1.00 0.00 C ATOM 679 CE LYS A 45 13.404 -6.453 4.053 1.00 0.00 C ATOM 680 NZ LYS A 45 14.455 -7.050 4.907 1.00 0.00 N ATOM 0 H LYS A 45 7.490 -5.378 2.928 1.00 0.00 H new ATOM 0 HA LYS A 45 9.342 -6.805 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.483 -6.074 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.298 -7.813 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.338 -7.597 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.787 -5.968 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.515 -8.388 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.540 -7.837 2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.827 -5.644 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.625 -6.015 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.857 -6.317 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.041 -7.806 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.206 -7.447 4.307 1.00 0.00 H new ATOM 694 N VAL A 46 8.122 -8.883 2.115 1.00 0.00 N ATOM 695 CA VAL A 46 7.186 -9.982 2.282 1.00 0.00 C ATOM 696 C VAL A 46 7.964 -11.285 2.469 1.00 0.00 C ATOM 697 O VAL A 46 9.129 -11.379 2.084 1.00 0.00 O ATOM 698 CB VAL A 46 6.218 -10.028 1.097 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.374 -8.754 1.029 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.969 -10.260 -0.216 1.00 0.00 C ATOM 0 H VAL A 46 8.851 -9.045 1.420 1.00 0.00 H new ATOM 0 HA VAL A 46 6.579 -9.835 3.176 1.00 0.00 H new ATOM 0 HB VAL A 46 5.542 -10.869 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.695 -8.812 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.797 -8.651 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.028 -7.890 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.258 -10.288 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.680 -9.449 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.505 -11.208 -0.166 1.00 0.00 H new ATOM 710 N PRO A 47 7.271 -12.286 3.076 1.00 0.00 N ATOM 711 CA PRO A 47 7.885 -13.581 3.320 1.00 0.00 C ATOM 712 C PRO A 47 7.988 -14.391 2.025 1.00 0.00 C ATOM 713 O PRO A 47 7.297 -14.100 1.050 1.00 0.00 O ATOM 714 CB PRO A 47 7.004 -14.243 4.365 1.00 0.00 C ATOM 715 CG PRO A 47 5.680 -13.497 4.329 1.00 0.00 C ATOM 716 CD PRO A 47 5.891 -12.212 3.546 1.00 0.00 C ATOM 0 HA PRO A 47 8.911 -13.500 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.862 -15.301 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.459 -14.183 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.910 -14.109 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.338 -13.276 5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.192 -12.137 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.733 -11.335 4.174 1.00 0.00 H new ATOM 724 N ALA A 48 8.858 -15.390 2.058 1.00 0.00 N ATOM 725 CA ALA A 48 9.060 -16.243 0.900 1.00 0.00 C ATOM 726 C ALA A 48 7.713 -16.510 0.226 1.00 0.00 C ATOM 727 O ALA A 48 6.739 -16.857 0.892 1.00 0.00 O ATOM 728 CB ALA A 48 9.761 -17.533 1.333 1.00 0.00 C ATOM 0 H ALA A 48 9.430 -15.627 2.868 1.00 0.00 H new ATOM 0 HA ALA A 48 9.702 -15.752 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.913 -18.174 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.726 -17.291 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.144 -18.054 2.065 1.00 0.00 H new ATOM 734 N GLY A 49 7.700 -16.337 -1.088 1.00 0.00 N ATOM 735 CA GLY A 49 6.489 -16.555 -1.859 1.00 0.00 C ATOM 736 C GLY A 49 6.323 -15.480 -2.935 1.00 0.00 C ATOM 737 O GLY A 49 6.299 -15.788 -4.127 1.00 0.00 O ATOM 0 H GLY A 49 8.509 -16.048 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.523 -17.539 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.625 -16.547 -1.195 1.00 0.00 H new ATOM 741 N GLU A 50 6.216 -14.241 -2.479 1.00 0.00 N ATOM 742 CA GLU A 50 6.054 -13.119 -3.388 1.00 0.00 C ATOM 743 C GLU A 50 7.367 -12.343 -3.512 1.00 0.00 C ATOM 744 O GLU A 50 8.399 -12.778 -3.003 1.00 0.00 O ATOM 745 CB GLU A 50 4.916 -12.203 -2.932 1.00 0.00 C ATOM 746 CG GLU A 50 3.840 -12.087 -4.012 1.00 0.00 C ATOM 747 CD GLU A 50 4.466 -11.856 -5.388 1.00 0.00 C ATOM 748 OE1 GLU A 50 5.180 -10.839 -5.524 1.00 0.00 O ATOM 749 OE2 GLU A 50 4.217 -12.702 -6.275 1.00 0.00 O ATOM 0 H GLU A 50 6.238 -13.989 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 50 5.790 -13.508 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.475 -12.594 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.311 -11.214 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.239 -12.996 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.167 -11.264 -3.772 1.00 0.00 H new ATOM 756 N SER A 51 7.285 -11.209 -4.191 1.00 0.00 N ATOM 757 CA SER A 51 8.454 -10.368 -4.388 1.00 0.00 C ATOM 758 C SER A 51 8.135 -8.927 -3.984 1.00 0.00 C ATOM 759 O SER A 51 7.918 -8.072 -4.842 1.00 0.00 O ATOM 760 CB SER A 51 8.930 -10.421 -5.841 1.00 0.00 C ATOM 761 OG SER A 51 8.028 -9.756 -6.722 1.00 0.00 O ATOM 0 H SER A 51 6.427 -10.852 -4.612 1.00 0.00 H new ATOM 0 HA SER A 51 9.259 -10.745 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.916 -9.962 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.038 -11.461 -6.150 1.00 0.00 H new ATOM 0 HG SER A 51 7.451 -9.154 -6.207 1.00 0.00 H new ATOM 767 N ALA A 52 8.117 -8.701 -2.679 1.00 0.00 N ATOM 768 CA ALA A 52 7.830 -7.378 -2.152 1.00 0.00 C ATOM 769 C ALA A 52 8.732 -6.353 -2.840 1.00 0.00 C ATOM 770 O ALA A 52 8.253 -5.338 -3.344 1.00 0.00 O ATOM 771 CB ALA A 52 8.007 -7.384 -0.632 1.00 0.00 C ATOM 0 H ALA A 52 8.297 -9.412 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 52 6.797 -7.099 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.792 -6.391 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.323 -8.107 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.033 -7.658 -0.386 1.00 0.00 H new ATOM 777 N PRO A 53 10.057 -6.660 -2.839 1.00 0.00 N ATOM 778 CA PRO A 53 11.031 -5.776 -3.458 1.00 0.00 C ATOM 779 C PRO A 53 10.973 -5.878 -4.983 1.00 0.00 C ATOM 780 O PRO A 53 11.998 -6.074 -5.635 1.00 0.00 O ATOM 781 CB PRO A 53 12.372 -6.207 -2.884 1.00 0.00 C ATOM 782 CG PRO A 53 12.158 -7.606 -2.329 1.00 0.00 C ATOM 783 CD PRO A 53 10.661 -7.853 -2.253 1.00 0.00 C ATOM 0 HA PRO A 53 10.840 -4.724 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.144 -6.206 -3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.700 -5.523 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.635 -8.348 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.611 -7.698 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.380 -8.750 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.335 -7.996 -1.223 1.00 0.00 H new ATOM 791 N ALA A 54 9.764 -5.740 -5.507 1.00 0.00 N ATOM 792 CA ALA A 54 9.559 -5.814 -6.944 1.00 0.00 C ATOM 793 C ALA A 54 8.238 -5.131 -7.302 1.00 0.00 C ATOM 794 O ALA A 54 8.173 -4.357 -8.255 1.00 0.00 O ATOM 795 CB ALA A 54 9.599 -7.277 -7.392 1.00 0.00 C ATOM 0 H ALA A 54 8.917 -5.577 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 54 10.355 -5.290 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.445 -7.332 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.568 -7.708 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.812 -7.835 -6.884 1.00 0.00 H new ATOM 801 N LEU A 55 7.216 -5.443 -6.518 1.00 0.00 N ATOM 802 CA LEU A 55 5.900 -4.870 -6.740 1.00 0.00 C ATOM 803 C LEU A 55 5.932 -3.380 -6.394 1.00 0.00 C ATOM 804 O LEU A 55 5.179 -2.590 -6.961 1.00 0.00 O ATOM 805 CB LEU A 55 4.835 -5.657 -5.973 1.00 0.00 C ATOM 806 CG LEU A 55 4.296 -6.910 -6.666 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.700 -7.886 -5.651 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.295 -6.541 -7.763 1.00 0.00 C ATOM 0 H LEU A 55 7.273 -6.086 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 55 5.624 -4.948 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.252 -5.950 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.997 -4.991 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 55 5.130 -7.419 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.325 -8.767 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.469 -8.185 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.881 -7.402 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.927 -7.449 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.459 -5.997 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.786 -5.914 -8.507 1.00 0.00 H new ATOM 820 N SER A 56 6.813 -3.041 -5.463 1.00 0.00 N ATOM 821 CA SER A 56 6.953 -1.660 -5.034 1.00 0.00 C ATOM 822 C SER A 56 7.042 -0.740 -6.253 1.00 0.00 C ATOM 823 O SER A 56 8.075 -0.681 -6.918 1.00 0.00 O ATOM 824 CB SER A 56 8.185 -1.482 -4.145 1.00 0.00 C ATOM 825 OG SER A 56 7.885 -1.698 -2.768 1.00 0.00 O ATOM 0 H SER A 56 7.436 -3.699 -4.995 1.00 0.00 H new ATOM 0 HA SER A 56 6.073 -1.393 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.963 -2.177 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.584 -0.476 -4.276 1.00 0.00 H new ATOM 0 HG SER A 56 8.697 -1.577 -2.233 1.00 0.00 H new ATOM 831 N ASN A 57 5.944 -0.043 -6.509 1.00 0.00 N ATOM 832 CA ASN A 57 5.884 0.872 -7.637 1.00 0.00 C ATOM 833 C ASN A 57 6.299 2.270 -7.175 1.00 0.00 C ATOM 834 O ASN A 57 5.537 2.954 -6.492 1.00 0.00 O ATOM 835 CB ASN A 57 4.465 0.961 -8.200 1.00 0.00 C ATOM 836 CG ASN A 57 4.393 0.358 -9.604 1.00 0.00 C ATOM 837 OD1 ASN A 57 3.883 -0.730 -9.815 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.933 1.123 -10.550 1.00 0.00 N ATOM 0 H ASN A 57 5.089 -0.093 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 57 6.555 0.498 -8.411 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.774 0.437 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.147 2.003 -8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.936 0.808 -11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.344 2.024 -10.305 1.00 0.00 H new ATOM 845 N THR A 58 7.505 2.656 -7.567 1.00 0.00 N ATOM 846 CA THR A 58 8.029 3.960 -7.202 1.00 0.00 C ATOM 847 C THR A 58 7.588 5.016 -8.217 1.00 0.00 C ATOM 848 O THR A 58 8.379 5.870 -8.614 1.00 0.00 O ATOM 849 CB THR A 58 9.549 3.840 -7.071 1.00 0.00 C ATOM 850 OG1 THR A 58 9.969 5.146 -6.688 1.00 0.00 O ATOM 851 CG2 THR A 58 10.235 3.609 -8.419 1.00 0.00 C ATOM 0 H THR A 58 8.134 2.087 -8.134 1.00 0.00 H new ATOM 0 HA THR A 58 7.631 4.291 -6.243 1.00 0.00 H new ATOM 0 HB THR A 58 9.792 3.021 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.675 5.795 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.312 3.531 -8.271 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.862 2.686 -8.864 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.020 4.445 -9.085 1.00 0.00 H new ATOM 859 N LYS A 59 6.325 4.922 -8.609 1.00 0.00 N ATOM 860 CA LYS A 59 5.770 5.858 -9.571 1.00 0.00 C ATOM 861 C LYS A 59 4.711 6.722 -8.883 1.00 0.00 C ATOM 862 O LYS A 59 3.536 6.677 -9.247 1.00 0.00 O ATOM 863 CB LYS A 59 5.251 5.114 -10.804 1.00 0.00 C ATOM 864 CG LYS A 59 4.675 6.091 -11.832 1.00 0.00 C ATOM 865 CD LYS A 59 3.564 5.433 -12.651 1.00 0.00 C ATOM 866 CE LYS A 59 3.547 5.971 -14.084 1.00 0.00 C ATOM 867 NZ LYS A 59 2.294 6.716 -14.343 1.00 0.00 N ATOM 0 H LYS A 59 5.671 4.212 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 59 6.544 6.533 -9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.061 4.541 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.483 4.400 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.283 6.971 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.468 6.434 -12.497 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.709 4.353 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.600 5.618 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.405 6.624 -14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.639 5.145 -14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.299 7.074 -15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.480 6.083 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.222 7.515 -13.681 1.00 0.00 H new ATOM 881 N LEU A 60 5.164 7.488 -7.902 1.00 0.00 N ATOM 882 CA LEU A 60 4.270 8.360 -7.160 1.00 0.00 C ATOM 883 C LEU A 60 3.262 8.990 -8.124 1.00 0.00 C ATOM 884 O LEU A 60 3.641 9.737 -9.024 1.00 0.00 O ATOM 885 CB LEU A 60 5.069 9.384 -6.351 1.00 0.00 C ATOM 886 CG LEU A 60 5.629 10.570 -7.137 1.00 0.00 C ATOM 887 CD1 LEU A 60 4.561 11.647 -7.338 1.00 0.00 C ATOM 888 CD2 LEU A 60 6.886 11.128 -6.467 1.00 0.00 C ATOM 0 H LEU A 60 6.139 7.523 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 60 3.699 7.787 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.429 9.769 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.900 8.868 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 60 5.921 10.217 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.985 12.479 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.720 11.227 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.216 12.003 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.264 11.970 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.643 11.461 -5.458 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.648 10.350 -6.418 1.00 0.00 H new ATOM 900 N ALA A 61 1.997 8.665 -7.902 1.00 0.00 N ATOM 901 CA ALA A 61 0.931 9.189 -8.740 1.00 0.00 C ATOM 902 C ALA A 61 0.311 10.412 -8.062 1.00 0.00 C ATOM 903 O ALA A 61 -0.510 10.273 -7.156 1.00 0.00 O ATOM 904 CB ALA A 61 -0.096 8.088 -9.010 1.00 0.00 C ATOM 0 H ALA A 61 1.686 8.045 -7.154 1.00 0.00 H new ATOM 0 HA ALA A 61 1.324 9.510 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.895 8.482 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.389 7.255 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.515 7.742 -8.065 1.00 0.00 H new ATOM 910 N ILE A 62 0.725 11.581 -8.526 1.00 0.00 N ATOM 911 CA ILE A 62 0.220 12.828 -7.975 1.00 0.00 C ATOM 912 C ILE A 62 -1.263 12.968 -8.322 1.00 0.00 C ATOM 913 O ILE A 62 -2.073 13.323 -7.466 1.00 0.00 O ATOM 914 CB ILE A 62 1.076 14.006 -8.444 1.00 0.00 C ATOM 915 CG1 ILE A 62 0.670 15.296 -7.730 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.022 14.152 -9.966 1.00 0.00 C ATOM 917 CD1 ILE A 62 1.152 15.295 -6.278 1.00 0.00 C ATOM 0 H ILE A 62 1.405 11.692 -9.278 1.00 0.00 H new ATOM 0 HA ILE A 62 0.295 12.823 -6.888 1.00 0.00 H new ATOM 0 HB ILE A 62 2.113 13.802 -8.177 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.089 16.154 -8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.414 15.405 -7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.639 14.997 -10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.397 13.241 -10.432 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.008 14.323 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.850 16.224 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.712 14.450 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.239 15.211 -6.255 1.00 0.00 H new ATOM 929 N ALA A 63 -1.574 12.684 -9.578 1.00 0.00 N ATOM 930 CA ALA A 63 -2.946 12.775 -10.048 1.00 0.00 C ATOM 931 C ALA A 63 -3.763 11.628 -9.448 1.00 0.00 C ATOM 932 O ALA A 63 -3.479 10.459 -9.702 1.00 0.00 O ATOM 933 CB ALA A 63 -2.963 12.764 -11.577 1.00 0.00 C ATOM 0 H ALA A 63 -0.900 12.391 -10.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.402 13.710 -9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.992 12.832 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.393 13.614 -11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.516 11.838 -11.939 1.00 0.00 H new ATOM 939 N PRO A 64 -4.788 12.014 -8.641 1.00 0.00 N ATOM 940 CA PRO A 64 -5.648 11.032 -8.003 1.00 0.00 C ATOM 941 C PRO A 64 -6.625 10.421 -9.010 1.00 0.00 C ATOM 942 O PRO A 64 -7.285 11.143 -9.756 1.00 0.00 O ATOM 943 CB PRO A 64 -6.345 11.788 -6.884 1.00 0.00 C ATOM 944 CG PRO A 64 -6.205 13.263 -7.227 1.00 0.00 C ATOM 945 CD PRO A 64 -5.154 13.390 -8.317 1.00 0.00 C ATOM 0 HA PRO A 64 -5.093 10.182 -7.607 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.394 11.501 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.888 11.566 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.158 13.668 -7.567 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.912 13.834 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.549 13.911 -9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.291 13.958 -7.971 1.00 0.00 H new ATOM 953 N GLY A 65 -6.685 9.097 -9.000 1.00 0.00 N ATOM 954 CA GLY A 65 -7.570 8.382 -9.903 1.00 0.00 C ATOM 955 C GLY A 65 -7.407 6.869 -9.744 1.00 0.00 C ATOM 956 O GLY A 65 -7.425 6.131 -10.729 1.00 0.00 O ATOM 0 H GLY A 65 -6.135 8.501 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.604 8.663 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.355 8.669 -10.932 1.00 0.00 H new ATOM 960 N SER A 66 -7.254 6.450 -8.496 1.00 0.00 N ATOM 961 CA SER A 66 -7.089 5.038 -8.195 1.00 0.00 C ATOM 962 C SER A 66 -5.770 4.529 -8.780 1.00 0.00 C ATOM 963 O SER A 66 -5.703 4.177 -9.956 1.00 0.00 O ATOM 964 CB SER A 66 -8.262 4.219 -8.738 1.00 0.00 C ATOM 965 OG SER A 66 -7.868 2.895 -9.093 1.00 0.00 O ATOM 0 H SER A 66 -7.241 7.064 -7.682 1.00 0.00 H new ATOM 0 HA SER A 66 -7.068 4.919 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.051 4.174 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.681 4.719 -9.611 1.00 0.00 H new ATOM 0 HG SER A 66 -7.786 2.350 -8.283 1.00 0.00 H new ATOM 971 N PHE A 67 -4.753 4.508 -7.930 1.00 0.00 N ATOM 972 CA PHE A 67 -3.439 4.048 -8.348 1.00 0.00 C ATOM 973 C PHE A 67 -3.553 2.861 -9.307 1.00 0.00 C ATOM 974 O PHE A 67 -3.385 3.018 -10.516 1.00 0.00 O ATOM 975 CB PHE A 67 -2.701 3.598 -7.086 1.00 0.00 C ATOM 976 CG PHE A 67 -1.513 4.487 -6.710 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.706 5.809 -6.458 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.264 3.954 -6.629 1.00 0.00 C ATOM 979 CE1 PHE A 67 -0.604 6.634 -6.109 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.838 4.780 -6.280 1.00 0.00 C ATOM 981 CZ PHE A 67 0.645 6.101 -6.028 1.00 0.00 C ATOM 0 H PHE A 67 -4.812 4.802 -6.955 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.911 4.850 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.404 3.578 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.347 2.577 -7.229 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.698 6.232 -6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.110 2.904 -6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.757 7.684 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.830 4.358 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.483 6.728 -5.763 1.00 0.00 H new ATOM 991 N TYR A 68 -3.837 1.702 -8.733 1.00 0.00 N ATOM 992 CA TYR A 68 -3.974 0.490 -9.523 1.00 0.00 C ATOM 993 C TYR A 68 -4.300 -0.711 -8.631 1.00 0.00 C ATOM 994 O TYR A 68 -4.320 -0.593 -7.407 1.00 0.00 O ATOM 995 CB TYR A 68 -2.616 0.262 -10.187 1.00 0.00 C ATOM 996 CG TYR A 68 -1.425 0.439 -9.244 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.299 -0.368 -8.132 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.474 1.406 -9.506 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.177 -0.202 -7.245 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.647 1.572 -8.619 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.740 0.760 -7.531 1.00 0.00 C ATOM 1002 OH TYR A 68 1.800 0.918 -6.694 1.00 0.00 O ATOM 0 H TYR A 68 -3.976 1.576 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.781 0.594 -10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.591 -0.745 -10.602 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.511 0.954 -11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.042 -1.124 -7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.572 2.038 -10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.066 -0.828 -6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.398 2.324 -8.812 1.00 0.00 H new ATOM 0 HH TYR A 68 1.758 1.804 -6.276 1.00 0.00 H new ATOM 1012 N SER A 69 -4.548 -1.839 -9.280 1.00 0.00 N ATOM 1013 CA SER A 69 -4.872 -3.060 -8.561 1.00 0.00 C ATOM 1014 C SER A 69 -3.891 -4.169 -8.947 1.00 0.00 C ATOM 1015 O SER A 69 -3.306 -4.138 -10.029 1.00 0.00 O ATOM 1016 CB SER A 69 -6.309 -3.501 -8.844 1.00 0.00 C ATOM 1017 OG SER A 69 -6.872 -2.806 -9.954 1.00 0.00 O ATOM 0 H SER A 69 -4.531 -1.933 -10.295 1.00 0.00 H new ATOM 0 HA SER A 69 -4.786 -2.862 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.327 -4.573 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.922 -3.329 -7.959 1.00 0.00 H new ATOM 0 HG SER A 69 -7.789 -3.117 -10.104 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.740 -5.124 -8.040 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.840 -6.240 -8.272 1.00 0.00 C ATOM 1025 C VAL A 70 -3.315 -7.449 -7.462 1.00 0.00 C ATOM 1026 O VAL A 70 -3.685 -7.313 -6.297 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.402 -5.830 -7.945 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.850 -4.876 -9.005 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.313 -5.210 -6.548 1.00 0.00 C ATOM 0 H VAL A 70 -4.226 -5.147 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.851 -6.527 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.787 -6.730 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.173 -4.600 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.861 -5.368 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.468 -3.979 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.281 -4.927 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.948 -4.325 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.647 -5.935 -5.806 1.00 0.00 H new ATOM 1039 N THR A 71 -3.290 -8.603 -8.112 1.00 0.00 N ATOM 1040 CA THR A 71 -3.714 -9.834 -7.468 1.00 0.00 C ATOM 1041 C THR A 71 -2.526 -10.515 -6.784 1.00 0.00 C ATOM 1042 O THR A 71 -1.392 -10.407 -7.248 1.00 0.00 O ATOM 1043 CB THR A 71 -4.392 -10.711 -8.523 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.670 -10.109 -8.705 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.712 -12.113 -8.001 1.00 0.00 C ATOM 0 H THR A 71 -2.983 -8.711 -9.078 1.00 0.00 H new ATOM 0 HA THR A 71 -4.436 -9.637 -6.676 1.00 0.00 H new ATOM 0 HB THR A 71 -3.748 -10.788 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.177 -10.614 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.192 -12.694 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.789 -12.607 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.383 -12.038 -7.145 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.827 -11.202 -5.692 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.798 -11.900 -4.940 1.00 0.00 C ATOM 1055 C LEU A 72 -2.239 -13.345 -4.703 1.00 0.00 C ATOM 1056 O LEU A 72 -3.375 -13.710 -5.005 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.465 -11.139 -3.655 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.649 -9.857 -3.827 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -0.537 -9.097 -2.504 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.723 -10.156 -4.433 1.00 0.00 C ATOM 0 H LEU A 72 -3.769 -11.290 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.869 -11.939 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.399 -10.887 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.917 -11.808 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.176 -9.209 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.048 -8.190 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.534 -8.832 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.045 -9.727 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.282 -9.227 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.271 -10.833 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.595 -10.622 -5.410 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.318 -14.130 -4.163 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.596 -15.528 -3.882 1.00 0.00 C ATOM 1074 C GLY A 73 -0.762 -16.027 -2.700 1.00 0.00 C ATOM 1075 O GLY A 73 -1.276 -16.714 -1.819 1.00 0.00 O ATOM 0 H GLY A 73 -0.378 -13.824 -3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.656 -15.655 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.379 -16.130 -4.764 1.00 0.00 H new ATOM 1079 N THR A 74 0.512 -15.661 -2.721 1.00 0.00 N ATOM 1080 CA THR A 74 1.422 -16.064 -1.662 1.00 0.00 C ATOM 1081 C THR A 74 0.830 -15.725 -0.293 1.00 0.00 C ATOM 1082 O THR A 74 0.480 -14.575 -0.031 1.00 0.00 O ATOM 1083 CB THR A 74 2.773 -15.394 -1.923 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.464 -16.321 -2.757 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.639 -15.312 -0.663 1.00 0.00 C ATOM 0 H THR A 74 0.935 -15.091 -3.453 1.00 0.00 H new ATOM 0 HA THR A 74 1.572 -17.144 -1.657 1.00 0.00 H new ATOM 0 HB THR A 74 2.611 -14.391 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.683 -15.893 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.586 -14.828 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.118 -14.732 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.830 -16.317 -0.287 1.00 0.00 H new ATOM 1093 N PRO A 75 0.736 -16.774 0.567 1.00 0.00 N ATOM 1094 CA PRO A 75 0.192 -16.600 1.903 1.00 0.00 C ATOM 1095 C PRO A 75 1.199 -15.897 2.818 1.00 0.00 C ATOM 1096 O PRO A 75 2.398 -16.161 2.745 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.158 -18.002 2.372 1.00 0.00 C ATOM 1098 CG PRO A 75 0.627 -18.949 1.478 1.00 0.00 C ATOM 1099 CD PRO A 75 1.141 -18.149 0.292 1.00 0.00 C ATOM 0 HA PRO A 75 -0.689 -15.959 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.110 -18.142 3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.229 -18.185 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.457 -19.393 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.007 -19.769 1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.224 -18.231 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.712 -18.508 -0.643 1.00 0.00 H new ATOM 1107 N GLY A 76 0.673 -15.016 3.657 1.00 0.00 N ATOM 1108 CA GLY A 76 1.511 -14.274 4.583 1.00 0.00 C ATOM 1109 C GLY A 76 0.991 -12.847 4.769 1.00 0.00 C ATOM 1110 O GLY A 76 -0.023 -12.470 4.183 1.00 0.00 O ATOM 0 H GLY A 76 -0.322 -14.800 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.536 -14.784 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.535 -14.246 4.210 1.00 0.00 H new ATOM 1114 N THR A 77 1.709 -12.092 5.589 1.00 0.00 N ATOM 1115 CA THR A 77 1.333 -10.715 5.860 1.00 0.00 C ATOM 1116 C THR A 77 2.301 -9.752 5.169 1.00 0.00 C ATOM 1117 O THR A 77 3.494 -9.746 5.469 1.00 0.00 O ATOM 1118 CB THR A 77 1.273 -10.532 7.377 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.469 -9.369 7.555 1.00 0.00 O ATOM 1120 CG2 THR A 77 2.626 -10.144 7.975 1.00 0.00 C ATOM 0 H THR A 77 2.549 -12.408 6.074 1.00 0.00 H new ATOM 0 HA THR A 77 0.349 -10.485 5.451 1.00 0.00 H new ATOM 0 HB THR A 77 0.924 -11.455 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.377 -9.178 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.527 -10.027 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.356 -10.925 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.961 -9.204 7.537 1.00 0.00 H new ATOM 1128 N TYR A 78 1.751 -8.963 4.258 1.00 0.00 N ATOM 1129 CA TYR A 78 2.551 -7.998 3.523 1.00 0.00 C ATOM 1130 C TYR A 78 2.541 -6.635 4.217 1.00 0.00 C ATOM 1131 O TYR A 78 1.489 -6.156 4.637 1.00 0.00 O ATOM 1132 CB TYR A 78 1.891 -7.863 2.149 1.00 0.00 C ATOM 1133 CG TYR A 78 2.002 -9.116 1.279 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.420 -10.297 1.691 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.686 -9.065 0.080 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.526 -11.476 0.872 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.792 -10.244 -0.739 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.206 -11.391 -0.303 1.00 0.00 C ATOM 1139 OH TYR A 78 2.305 -12.506 -1.078 1.00 0.00 O ATOM 0 H TYR A 78 0.761 -8.972 4.012 1.00 0.00 H new ATOM 0 HA TYR A 78 3.588 -8.329 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.837 -7.621 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.345 -7.025 1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.885 -10.337 2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.141 -8.140 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.076 -12.407 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.325 -10.218 -1.678 1.00 0.00 H new ATOM 0 HH TYR A 78 1.700 -13.197 -0.736 1.00 0.00 H new ATOM 1149 N SER A 79 3.725 -6.048 4.317 1.00 0.00 N ATOM 1150 CA SER A 79 3.866 -4.750 4.952 1.00 0.00 C ATOM 1151 C SER A 79 4.341 -3.716 3.930 1.00 0.00 C ATOM 1152 O SER A 79 5.120 -4.035 3.035 1.00 0.00 O ATOM 1153 CB SER A 79 4.838 -4.817 6.131 1.00 0.00 C ATOM 1154 OG SER A 79 4.819 -6.091 6.768 1.00 0.00 O ATOM 0 H SER A 79 4.596 -6.449 3.968 1.00 0.00 H new ATOM 0 HA SER A 79 2.891 -4.449 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.848 -4.602 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.581 -4.045 6.857 1.00 0.00 H new ATOM 0 HG SER A 79 5.454 -6.093 7.514 1.00 0.00 H new ATOM 1160 N PHE A 80 3.851 -2.496 4.099 1.00 0.00 N ATOM 1161 CA PHE A 80 4.215 -1.412 3.202 1.00 0.00 C ATOM 1162 C PHE A 80 4.236 -0.072 3.941 1.00 0.00 C ATOM 1163 O PHE A 80 3.833 0.007 5.101 1.00 0.00 O ATOM 1164 CB PHE A 80 3.149 -1.360 2.106 1.00 0.00 C ATOM 1165 CG PHE A 80 1.738 -1.697 2.594 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.427 -2.973 2.950 1.00 0.00 C ATOM 1167 CD2 PHE A 80 0.795 -0.721 2.674 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.119 -3.285 3.402 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.515 -1.033 3.127 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.824 -2.309 3.481 1.00 0.00 C ATOM 0 H PHE A 80 3.205 -2.234 4.844 1.00 0.00 H new ATOM 0 HA PHE A 80 5.210 -1.587 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.142 -0.362 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.424 -2.055 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.176 -3.748 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.042 0.292 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.128 -4.298 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.264 -0.258 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.820 -2.547 3.825 1.00 0.00 H new ATOM 1180 N TYR A 81 4.708 0.946 3.239 1.00 0.00 N ATOM 1181 CA TYR A 81 4.787 2.279 3.814 1.00 0.00 C ATOM 1182 C TYR A 81 5.040 3.329 2.731 1.00 0.00 C ATOM 1183 O TYR A 81 5.306 2.987 1.579 1.00 0.00 O ATOM 1184 CB TYR A 81 5.980 2.255 4.772 1.00 0.00 C ATOM 1185 CG TYR A 81 7.307 1.888 4.107 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.879 2.746 3.190 1.00 0.00 C ATOM 1187 CD2 TYR A 81 7.932 0.699 4.422 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.129 2.402 2.562 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.182 0.353 3.794 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.719 1.222 2.896 1.00 0.00 C ATOM 1191 OH TYR A 81 10.898 0.896 2.303 1.00 0.00 O ATOM 0 H TYR A 81 5.040 0.876 2.277 1.00 0.00 H new ATOM 0 HA TYR A 81 3.854 2.537 4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.078 3.236 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.777 1.542 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.389 3.676 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.484 0.027 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.587 3.065 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.681 -0.575 4.031 1.00 0.00 H new ATOM 0 HH TYR A 81 11.203 0.027 2.638 1.00 0.00 H new ATOM 1201 N CYS A 82 4.950 4.587 3.138 1.00 0.00 N ATOM 1202 CA CYS A 82 5.166 5.689 2.217 1.00 0.00 C ATOM 1203 C CYS A 82 6.656 6.036 2.222 1.00 0.00 C ATOM 1204 O CYS A 82 7.332 5.869 3.237 1.00 0.00 O ATOM 1205 CB CYS A 82 4.297 6.899 2.569 1.00 0.00 C ATOM 1206 SG CYS A 82 3.580 7.773 1.131 1.00 0.00 S ATOM 0 H CYS A 82 4.730 4.867 4.094 1.00 0.00 H new ATOM 0 HA CYS A 82 4.868 5.390 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.485 6.569 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.897 7.605 3.143 1.00 0.00 H new ATOM 1211 N THR A 83 7.125 6.511 1.078 1.00 0.00 N ATOM 1212 CA THR A 83 8.523 6.881 0.938 1.00 0.00 C ATOM 1213 C THR A 83 8.768 8.272 1.529 1.00 0.00 C ATOM 1214 O THR A 83 9.689 8.459 2.322 1.00 0.00 O ATOM 1215 CB THR A 83 8.894 6.777 -0.542 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.633 5.561 -0.630 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.894 7.852 -0.973 1.00 0.00 C ATOM 0 H THR A 83 6.562 6.648 0.239 1.00 0.00 H new ATOM 0 HA THR A 83 9.169 6.205 1.498 1.00 0.00 H new ATOM 0 HB THR A 83 7.992 6.857 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.912 5.414 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.123 7.732 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.463 8.839 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.810 7.752 -0.390 1.00 0.00 H new ATOM 1225 N PRO A 84 7.903 9.235 1.110 1.00 0.00 N ATOM 1226 CA PRO A 84 8.017 10.601 1.589 1.00 0.00 C ATOM 1227 C PRO A 84 7.508 10.722 3.027 1.00 0.00 C ATOM 1228 O PRO A 84 8.151 11.353 3.865 1.00 0.00 O ATOM 1229 CB PRO A 84 7.213 11.432 0.602 1.00 0.00 C ATOM 1230 CG PRO A 84 6.301 10.454 -0.121 1.00 0.00 C ATOM 1231 CD PRO A 84 6.800 9.048 0.172 1.00 0.00 C ATOM 0 HA PRO A 84 9.050 10.947 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.634 12.198 1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.869 11.947 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.271 10.572 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.309 10.646 -1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.013 8.430 0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.134 8.549 -0.738 1.00 0.00 H new ATOM 1239 N HIS A 85 6.358 10.110 3.267 1.00 0.00 N ATOM 1240 CA HIS A 85 5.756 10.141 4.589 1.00 0.00 C ATOM 1241 C HIS A 85 6.358 9.032 5.454 1.00 0.00 C ATOM 1242 O HIS A 85 5.875 8.765 6.553 1.00 0.00 O ATOM 1243 CB HIS A 85 4.231 10.054 4.493 1.00 0.00 C ATOM 1244 CG HIS A 85 3.595 11.216 3.768 1.00 0.00 C ATOM 1245 ND1 HIS A 85 3.131 11.125 2.467 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.349 12.495 4.175 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.632 12.302 2.117 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.769 13.149 3.177 1.00 0.00 N ATOM 0 H HIS A 85 5.827 9.590 2.568 1.00 0.00 H new ATOM 0 HA HIS A 85 5.979 11.093 5.071 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.961 9.129 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.816 9.996 5.499 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.586 12.905 5.145 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.194 12.547 1.161 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.474 14.125 3.199 1.00 0.00 H new ATOM 1256 N ARG A 86 7.407 8.417 4.925 1.00 0.00 N ATOM 1257 CA ARG A 86 8.081 7.343 5.636 1.00 0.00 C ATOM 1258 C ARG A 86 8.256 7.712 7.110 1.00 0.00 C ATOM 1259 O ARG A 86 8.335 6.833 7.968 1.00 0.00 O ATOM 1260 CB ARG A 86 9.452 7.054 5.022 1.00 0.00 C ATOM 1261 CG ARG A 86 10.013 5.726 5.536 1.00 0.00 C ATOM 1262 CD ARG A 86 10.328 4.779 4.377 1.00 0.00 C ATOM 1263 NE ARG A 86 11.283 3.739 4.818 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.614 3.892 4.818 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.156 5.044 4.399 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.405 2.893 5.236 1.00 0.00 N ATOM 0 H ARG A 86 7.806 8.642 4.014 1.00 0.00 H new ATOM 0 HA ARG A 86 7.463 6.449 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.369 7.022 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.141 7.863 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.917 5.909 6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.293 5.258 6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.410 4.313 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.748 5.340 3.542 1.00 0.00 H new ATOM 0 HE ARG A 86 10.904 2.849 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.555 5.804 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.169 5.161 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.993 2.016 5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.418 3.010 5.236 1.00 0.00 H new ATOM 1280 N GLY A 87 8.313 9.011 7.360 1.00 0.00 N ATOM 1281 CA GLY A 87 8.478 9.506 8.717 1.00 0.00 C ATOM 1282 C GLY A 87 7.149 10.016 9.280 1.00 0.00 C ATOM 1283 O GLY A 87 6.952 10.034 10.493 1.00 0.00 O ATOM 0 H GLY A 87 8.248 9.737 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.865 8.710 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.214 10.310 8.728 1.00 0.00 H new ATOM 1287 N ALA A 88 6.272 10.417 8.371 1.00 0.00 N ATOM 1288 CA ALA A 88 4.969 10.926 8.761 1.00 0.00 C ATOM 1289 C ALA A 88 4.193 9.823 9.485 1.00 0.00 C ATOM 1290 O ALA A 88 3.289 10.108 10.270 1.00 0.00 O ATOM 1291 CB ALA A 88 4.231 11.443 7.524 1.00 0.00 C ATOM 0 H ALA A 88 6.439 10.399 7.365 1.00 0.00 H new ATOM 0 HA ALA A 88 5.074 11.764 9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.253 11.825 7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.810 12.243 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.104 10.629 6.810 1.00 0.00 H new ATOM 1297 N GLY A 89 4.573 8.588 9.195 1.00 0.00 N ATOM 1298 CA GLY A 89 3.923 7.442 9.808 1.00 0.00 C ATOM 1299 C GLY A 89 2.829 6.879 8.898 1.00 0.00 C ATOM 1300 O GLY A 89 1.681 6.739 9.316 1.00 0.00 O ATOM 0 H GLY A 89 5.323 8.355 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.662 6.668 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.490 7.734 10.765 1.00 0.00 H new ATOM 1304 N MET A 90 3.225 6.572 7.671 1.00 0.00 N ATOM 1305 CA MET A 90 2.292 6.027 6.699 1.00 0.00 C ATOM 1306 C MET A 90 2.645 4.580 6.351 1.00 0.00 C ATOM 1307 O MET A 90 3.304 4.322 5.346 1.00 0.00 O ATOM 1308 CB MET A 90 2.325 6.880 5.428 1.00 0.00 C ATOM 1309 CG MET A 90 1.421 8.106 5.568 1.00 0.00 C ATOM 1310 SD MET A 90 0.606 8.445 4.017 1.00 0.00 S ATOM 1311 CE MET A 90 -0.108 6.843 3.685 1.00 0.00 C ATOM 0 H MET A 90 4.178 6.690 7.328 1.00 0.00 H new ATOM 0 HA MET A 90 1.293 6.043 7.134 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.348 7.199 5.226 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.003 6.282 4.576 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.679 7.934 6.348 1.00 0.00 H new ATOM 0 HG3 MET A 90 2.011 8.970 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.135 6.967 3.341 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.474 6.338 2.914 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.100 6.245 4.596 1.00 0.00 H new ATOM 1321 N VAL A 91 2.190 3.673 7.204 1.00 0.00 N ATOM 1322 CA VAL A 91 2.449 2.258 6.999 1.00 0.00 C ATOM 1323 C VAL A 91 1.118 1.507 6.913 1.00 0.00 C ATOM 1324 O VAL A 91 0.075 2.043 7.284 1.00 0.00 O ATOM 1325 CB VAL A 91 3.363 1.728 8.106 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.730 2.412 8.063 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.712 1.893 9.481 1.00 0.00 C ATOM 0 H VAL A 91 1.644 3.891 8.038 1.00 0.00 H new ATOM 0 HA VAL A 91 2.974 2.099 6.057 1.00 0.00 H new ATOM 0 HB VAL A 91 3.515 0.663 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.360 2.017 8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.202 2.221 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.604 3.486 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.383 1.508 10.250 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.516 2.949 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.774 1.339 9.508 1.00 0.00 H new ATOM 1337 N GLY A 92 1.199 0.280 6.421 1.00 0.00 N ATOM 1338 CA GLY A 92 0.014 -0.549 6.281 1.00 0.00 C ATOM 1339 C GLY A 92 0.381 -2.034 6.282 1.00 0.00 C ATOM 1340 O GLY A 92 1.559 -2.386 6.254 1.00 0.00 O ATOM 0 H GLY A 92 2.067 -0.160 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.678 -0.341 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.502 -0.299 5.354 1.00 0.00 H new ATOM 1344 N THR A 93 -0.651 -2.866 6.316 1.00 0.00 N ATOM 1345 CA THR A 93 -0.451 -4.305 6.322 1.00 0.00 C ATOM 1346 C THR A 93 -1.534 -4.997 5.492 1.00 0.00 C ATOM 1347 O THR A 93 -2.623 -4.453 5.308 1.00 0.00 O ATOM 1348 CB THR A 93 -0.412 -4.771 7.779 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.116 -3.653 8.487 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.615 -5.880 8.012 1.00 0.00 C ATOM 0 H THR A 93 -1.627 -2.571 6.340 1.00 0.00 H new ATOM 0 HA THR A 93 0.496 -4.575 5.854 1.00 0.00 H new ATOM 0 HB THR A 93 -1.400 -5.125 8.073 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.174 -3.868 9.441 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.602 -6.174 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.368 -6.741 7.391 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.609 -5.517 7.750 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.199 -6.185 5.013 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.130 -6.957 4.206 1.00 0.00 C ATOM 1360 C ILE A 94 -1.881 -8.449 4.437 1.00 0.00 C ATOM 1361 O ILE A 94 -0.735 -8.896 4.450 1.00 0.00 O ATOM 1362 CB ILE A 94 -2.041 -6.538 2.738 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.579 -5.120 2.538 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.747 -7.552 1.835 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.411 -4.669 1.086 1.00 0.00 C ATOM 0 H ILE A 94 -0.296 -6.633 5.168 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.157 -6.754 4.509 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.990 -6.526 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.633 -5.085 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.053 -4.431 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.669 -7.230 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.278 -8.529 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.798 -7.620 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.802 -3.658 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.354 -4.682 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.958 -5.346 0.429 1.00 0.00 H new ATOM 1377 N THR A 95 -2.974 -9.178 4.611 1.00 0.00 N ATOM 1378 CA THR A 95 -2.889 -10.610 4.840 1.00 0.00 C ATOM 1379 C THR A 95 -3.504 -11.375 3.667 1.00 0.00 C ATOM 1380 O THR A 95 -4.504 -10.943 3.095 1.00 0.00 O ATOM 1381 CB THR A 95 -3.558 -10.915 6.181 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.883 -10.068 7.107 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.253 -12.329 6.681 1.00 0.00 C ATOM 0 H THR A 95 -3.923 -8.804 4.598 1.00 0.00 H new ATOM 0 HA THR A 95 -1.852 -10.941 4.895 1.00 0.00 H new ATOM 0 HB THR A 95 -4.636 -10.789 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.256 -10.200 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.752 -12.493 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.612 -13.057 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.177 -12.445 6.809 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.881 -12.499 3.342 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.355 -13.327 2.246 1.00 0.00 C ATOM 1393 C VAL A 96 -3.519 -14.767 2.737 1.00 0.00 C ATOM 1394 O VAL A 96 -2.709 -15.634 2.413 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.406 -13.207 1.051 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.528 -14.423 0.131 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.657 -11.909 0.281 1.00 0.00 C ATOM 0 H VAL A 96 -2.052 -12.855 3.818 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.332 -12.986 1.903 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.386 -13.178 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.843 -14.313 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.278 -15.326 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.550 -14.497 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.970 -11.848 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.684 -11.896 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.497 -11.057 0.942 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.574 -14.978 3.511 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.855 -16.298 4.049 1.00 0.00 C ATOM 1409 C GLU A 97 -5.711 -17.100 3.067 1.00 0.00 C ATOM 1410 O GLU A 97 -5.186 -17.880 2.273 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.535 -16.199 5.415 1.00 0.00 C ATOM 1412 CG GLU A 97 -4.530 -16.427 6.546 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.243 -16.813 7.844 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.246 -17.552 7.743 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -4.769 -16.360 8.908 1.00 0.00 O ATOM 1416 OXT GLU A 97 -7.015 -16.882 3.153 1.00 0.00 O ATOM 0 H GLU A 97 -5.244 -14.257 3.778 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.909 -16.822 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.996 -15.217 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.335 -16.936 5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.831 -17.214 6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.944 -15.522 6.704 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 2.105 9.505 1.751 1.00 0.00 CU