USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 : A 24 ASNHD21 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD NoAdj : A 24 ASNHD22 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD Single : A 1 SER N :NH3+ 175:sc= 0.564 (180deg=0.506) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 168:sc= -0.0153 (180deg=-0.209) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 140:sc= 0.933 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 0.745 (180deg=0.534) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -76:sc= 0.145 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 163:sc= 0 (180deg=-0.218) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.806 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0806) USER MOD Single : A 44 THR OG1 : rot -76:sc= 0.76 USER MOD Single : A 51 MET CE :methyl 153:sc= -0.693 (180deg=-1.97!) USER MOD Single : A 62 GLN : amide:sc= -0.0781 K(o=-0.078,f=-2.9!) USER MOD Single : A 64 ASN : amide:sc= -1.38 K(o=-1.4,f=-6.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 70 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.085) USER MOD Single : A 71 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.15) USER MOD Single : A 72 MET CE :methyl -172:sc= 0 (180deg=-0.132) USER MOD Single : A 73 THR OG1 : rot -73:sc= 1.05 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.070 18.431 13.086 1.00 0.00 N ATOM 2 CA SER A 1 4.927 18.159 13.984 1.00 0.00 C ATOM 3 C SER A 1 4.158 19.446 14.321 1.00 0.00 C ATOM 4 O SER A 1 3.470 19.517 15.337 1.00 0.00 O ATOM 5 CB SER A 1 5.446 17.497 15.259 1.00 0.00 C ATOM 6 OG SER A 1 6.194 16.327 14.954 1.00 0.00 O ATOM 0 H1 SER A 1 6.617 17.558 12.946 1.00 0.00 H new ATOM 0 H2 SER A 1 5.717 18.769 12.168 1.00 0.00 H new ATOM 0 H3 SER A 1 6.681 19.158 13.511 1.00 0.00 H new ATOM 0 HA SER A 1 4.231 17.491 13.476 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.071 18.200 15.810 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.608 17.239 15.907 1.00 0.00 H new ATOM 0 HG SER A 1 6.518 15.920 15.785 1.00 0.00 H new ATOM 14 N LEU A 2 4.237 20.443 13.431 1.00 0.00 N ATOM 15 CA LEU A 2 3.652 21.759 13.689 1.00 0.00 C ATOM 16 C LEU A 2 3.417 22.541 12.387 1.00 0.00 C ATOM 17 O LEU A 2 4.268 23.338 11.982 1.00 0.00 O ATOM 18 CB LEU A 2 4.564 22.566 14.635 1.00 0.00 C ATOM 19 CG LEU A 2 4.012 23.912 15.125 1.00 0.00 C ATOM 20 CD1 LEU A 2 2.799 23.705 16.014 1.00 0.00 C ATOM 21 CD2 LEU A 2 5.089 24.689 15.863 1.00 0.00 C ATOM 0 H LEU A 2 4.701 20.361 12.526 1.00 0.00 H new ATOM 0 HA LEU A 2 2.683 21.606 14.163 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.785 21.949 15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.510 22.749 14.125 1.00 0.00 H new ATOM 0 HG LEU A 2 3.701 24.492 14.256 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.425 24.672 16.350 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.020 23.189 15.452 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.080 23.105 16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.682 25.641 16.204 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.430 24.112 16.722 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.929 24.873 15.193 1.00 0.00 H new ATOM 33 N MET A 3 2.296 22.226 11.704 1.00 0.00 N ATOM 34 CA MET A 3 1.708 23.038 10.590 1.00 0.00 C ATOM 35 C MET A 3 2.483 22.954 9.242 1.00 0.00 C ATOM 36 O MET A 3 1.888 23.079 8.171 1.00 0.00 O ATOM 37 CB MET A 3 1.502 24.505 11.042 1.00 0.00 C ATOM 38 CG MET A 3 0.741 25.393 10.060 1.00 0.00 C ATOM 39 SD MET A 3 -0.907 24.769 9.643 1.00 0.00 S ATOM 40 CE MET A 3 -1.726 24.790 11.239 1.00 0.00 C ATOM 0 H MET A 3 1.755 21.385 11.907 1.00 0.00 H new ATOM 0 HA MET A 3 0.739 22.588 10.373 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.968 24.503 11.992 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.479 24.951 11.226 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.645 26.392 10.486 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.325 25.492 9.145 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.796 24.638 11.101 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.324 23.993 11.865 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.556 25.752 11.723 1.00 0.00 H new ATOM 50 N LYS A 4 3.787 22.698 9.288 1.00 0.00 N ATOM 51 CA LYS A 4 4.623 22.607 8.084 1.00 0.00 C ATOM 52 C LYS A 4 4.628 21.190 7.507 1.00 0.00 C ATOM 53 O LYS A 4 5.285 20.919 6.500 1.00 0.00 O ATOM 54 CB LYS A 4 6.064 23.032 8.409 1.00 0.00 C ATOM 55 CG LYS A 4 6.714 22.235 9.546 1.00 0.00 C ATOM 56 CD LYS A 4 8.232 22.378 9.570 1.00 0.00 C ATOM 57 CE LYS A 4 8.692 23.813 9.788 1.00 0.00 C ATOM 58 NZ LYS A 4 10.168 23.901 9.917 1.00 0.00 N ATOM 0 H LYS A 4 4.298 22.547 10.158 1.00 0.00 H new ATOM 0 HA LYS A 4 4.199 23.278 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.673 22.926 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.068 24.089 8.673 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.306 22.571 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.454 21.182 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.638 21.748 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.641 22.010 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.362 24.432 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.223 24.213 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.445 24.893 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.480 23.330 10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.614 23.542 9.049 1.00 0.00 H new ATOM 72 N ASP A 5 3.874 20.307 8.146 1.00 0.00 N ATOM 73 CA ASP A 5 3.879 18.887 7.840 1.00 0.00 C ATOM 74 C ASP A 5 3.109 18.600 6.569 1.00 0.00 C ATOM 75 O ASP A 5 1.901 18.838 6.479 1.00 0.00 O ATOM 76 CB ASP A 5 3.299 18.097 9.013 1.00 0.00 C ATOM 77 CG ASP A 5 4.195 18.135 10.241 1.00 0.00 C ATOM 78 OD1 ASP A 5 4.430 19.233 10.794 1.00 0.00 O ATOM 79 OD2 ASP A 5 4.664 17.064 10.676 1.00 0.00 O ATOM 0 H ASP A 5 3.235 20.561 8.899 1.00 0.00 H new ATOM 0 HA ASP A 5 4.911 18.573 7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.319 18.500 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.148 17.061 8.710 1.00 0.00 H new ATOM 84 N THR A 6 3.838 18.118 5.579 1.00 0.00 N ATOM 85 CA THR A 6 3.276 17.822 4.280 1.00 0.00 C ATOM 86 C THR A 6 2.675 16.418 4.243 1.00 0.00 C ATOM 87 O THR A 6 3.384 15.410 4.233 1.00 0.00 O ATOM 88 CB THR A 6 4.330 17.994 3.160 1.00 0.00 C ATOM 89 OG1 THR A 6 5.581 17.412 3.554 1.00 0.00 O ATOM 90 CG2 THR A 6 4.533 19.465 2.818 1.00 0.00 C ATOM 0 H THR A 6 4.836 17.922 5.656 1.00 0.00 H new ATOM 0 HA THR A 6 2.474 18.538 4.102 1.00 0.00 H new ATOM 0 HB THR A 6 3.959 17.480 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.980 16.946 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.279 19.555 2.028 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.590 19.893 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.875 20.001 3.703 1.00 0.00 H new ATOM 98 N ASP A 7 1.355 16.374 4.286 1.00 0.00 N ATOM 99 CA ASP A 7 0.605 15.134 4.101 1.00 0.00 C ATOM 100 C ASP A 7 -0.352 15.296 2.914 1.00 0.00 C ATOM 101 O ASP A 7 -1.292 14.515 2.727 1.00 0.00 O ATOM 102 CB ASP A 7 -0.149 14.751 5.396 1.00 0.00 C ATOM 103 CG ASP A 7 -1.323 15.663 5.733 1.00 0.00 C ATOM 104 OD1 ASP A 7 -1.106 16.864 5.993 1.00 0.00 O ATOM 105 OD2 ASP A 7 -2.468 15.171 5.760 1.00 0.00 O ATOM 0 H ASP A 7 0.769 17.193 4.450 1.00 0.00 H new ATOM 0 HA ASP A 7 1.295 14.319 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.514 13.729 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.555 14.762 6.228 1.00 0.00 H new ATOM 110 N SER A 8 -0.070 16.328 2.100 1.00 0.00 N ATOM 111 CA SER A 8 -0.834 16.631 0.891 1.00 0.00 C ATOM 112 C SER A 8 -0.568 15.597 -0.205 1.00 0.00 C ATOM 113 O SER A 8 0.390 14.832 -0.121 1.00 0.00 O ATOM 114 CB SER A 8 -0.465 18.022 0.376 1.00 0.00 C ATOM 115 OG SER A 8 -0.737 19.025 1.336 1.00 0.00 O ATOM 0 H SER A 8 0.700 16.975 2.269 1.00 0.00 H new ATOM 0 HA SER A 8 -1.893 16.601 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.593 18.045 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.022 18.232 -0.537 1.00 0.00 H new ATOM 0 HG SER A 8 -0.487 19.901 0.974 1.00 0.00 H new ATOM 121 N GLU A 9 -1.401 15.641 -1.253 1.00 0.00 N ATOM 122 CA GLU A 9 -1.416 14.644 -2.343 1.00 0.00 C ATOM 123 C GLU A 9 -0.073 14.541 -3.085 1.00 0.00 C ATOM 124 O GLU A 9 0.323 13.455 -3.507 1.00 0.00 O ATOM 125 CB GLU A 9 -2.512 15.010 -3.341 1.00 0.00 C ATOM 126 CG GLU A 9 -3.866 15.284 -2.698 1.00 0.00 C ATOM 127 CD GLU A 9 -4.888 15.799 -3.685 1.00 0.00 C ATOM 128 OE1 GLU A 9 -4.822 16.990 -4.049 1.00 0.00 O ATOM 129 OE2 GLU A 9 -5.774 15.024 -4.084 1.00 0.00 O ATOM 0 H GLU A 9 -2.095 16.379 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.606 13.673 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.201 15.893 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.620 14.199 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.238 14.367 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.742 16.012 -1.897 1.00 0.00 H new ATOM 136 N GLU A 10 0.615 15.682 -3.209 1.00 0.00 N ATOM 137 CA GLU A 10 1.935 15.773 -3.839 1.00 0.00 C ATOM 138 C GLU A 10 3.018 15.049 -3.023 1.00 0.00 C ATOM 139 O GLU A 10 3.938 14.465 -3.587 1.00 0.00 O ATOM 140 CB GLU A 10 2.285 17.255 -4.029 1.00 0.00 C ATOM 141 CG GLU A 10 3.666 17.513 -4.604 1.00 0.00 C ATOM 142 CD GLU A 10 3.879 18.959 -4.984 1.00 0.00 C ATOM 143 OE1 GLU A 10 4.039 19.805 -4.085 1.00 0.00 O ATOM 144 OE2 GLU A 10 3.894 19.255 -6.193 1.00 0.00 O ATOM 0 H GLU A 10 0.265 16.578 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 10 1.898 15.273 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.543 17.708 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.208 17.759 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.420 17.219 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.812 16.885 -5.483 1.00 0.00 H new ATOM 151 N GLU A 11 2.879 15.053 -1.702 1.00 0.00 N ATOM 152 CA GLU A 11 3.833 14.374 -0.835 1.00 0.00 C ATOM 153 C GLU A 11 3.575 12.861 -0.827 1.00 0.00 C ATOM 154 O GLU A 11 4.505 12.066 -0.670 1.00 0.00 O ATOM 155 CB GLU A 11 3.763 14.937 0.587 1.00 0.00 C ATOM 156 CG GLU A 11 4.936 14.523 1.465 1.00 0.00 C ATOM 157 CD GLU A 11 6.262 15.011 0.913 1.00 0.00 C ATOM 158 OE1 GLU A 11 6.666 16.135 1.250 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.892 14.282 0.124 1.00 0.00 O ATOM 0 H GLU A 11 2.116 15.518 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 11 4.835 14.549 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.724 16.025 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.836 14.606 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.794 14.920 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.958 13.437 1.552 1.00 0.00 H new ATOM 166 N ILE A 12 2.310 12.478 -1.051 1.00 0.00 N ATOM 167 CA ILE A 12 1.906 11.067 -1.106 1.00 0.00 C ATOM 168 C ILE A 12 2.475 10.388 -2.366 1.00 0.00 C ATOM 169 O ILE A 12 2.607 9.175 -2.407 1.00 0.00 O ATOM 170 CB ILE A 12 0.353 10.874 -1.052 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.314 11.761 0.020 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.008 9.413 -0.790 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.222 11.594 1.434 1.00 0.00 C ATOM 0 H ILE A 12 1.543 13.134 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 12 2.320 10.594 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.026 11.177 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.198 12.804 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.383 11.549 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.092 9.306 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.394 8.790 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.416 9.099 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.314 12.262 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.081 10.563 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.284 11.837 1.452 1.00 0.00 H new ATOM 185 N ARG A 13 2.808 11.188 -3.390 1.00 0.00 N ATOM 186 CA ARG A 13 3.444 10.685 -4.621 1.00 0.00 C ATOM 187 C ARG A 13 4.767 9.968 -4.325 1.00 0.00 C ATOM 188 O ARG A 13 4.999 8.861 -4.815 1.00 0.00 O ATOM 189 CB ARG A 13 3.713 11.825 -5.605 1.00 0.00 C ATOM 190 CG ARG A 13 2.490 12.651 -5.937 1.00 0.00 C ATOM 191 CD ARG A 13 2.715 13.531 -7.146 1.00 0.00 C ATOM 192 NE ARG A 13 2.794 12.741 -8.374 1.00 0.00 N ATOM 193 CZ ARG A 13 3.131 13.226 -9.569 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.469 14.503 -9.717 1.00 0.00 N ATOM 195 NH2 ARG A 13 3.131 12.420 -10.619 1.00 0.00 N ATOM 0 H ARG A 13 2.646 12.195 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 13 2.746 9.974 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.478 12.479 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.119 11.408 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.644 11.989 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.227 13.271 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.903 14.254 -7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.636 14.100 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 13 2.575 11.747 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.473 15.126 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.725 14.859 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.875 11.439 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.387 12.780 -11.538 1.00 0.00 H new ATOM 209 N GLU A 14 5.612 10.596 -3.500 1.00 0.00 N ATOM 210 CA GLU A 14 6.897 10.015 -3.115 1.00 0.00 C ATOM 211 C GLU A 14 6.724 9.001 -1.974 1.00 0.00 C ATOM 212 O GLU A 14 7.473 8.030 -1.899 1.00 0.00 O ATOM 213 CB GLU A 14 7.883 11.120 -2.721 1.00 0.00 C ATOM 214 CG GLU A 14 9.294 10.621 -2.442 1.00 0.00 C ATOM 215 CD GLU A 14 10.241 11.723 -2.036 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.151 12.193 -0.894 1.00 0.00 O ATOM 217 OE2 GLU A 14 11.078 12.128 -2.863 1.00 0.00 O ATOM 0 H GLU A 14 5.426 11.510 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 14 7.303 9.480 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.922 11.860 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.507 11.629 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.258 9.871 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.681 10.127 -3.333 1.00 0.00 H new ATOM 224 N ALA A 15 5.718 9.222 -1.110 1.00 0.00 N ATOM 225 CA ALA A 15 5.387 8.287 -0.017 1.00 0.00 C ATOM 226 C ALA A 15 4.899 6.942 -0.557 1.00 0.00 C ATOM 227 O ALA A 15 5.110 5.907 0.059 1.00 0.00 O ATOM 228 CB ALA A 15 4.336 8.883 0.910 1.00 0.00 C ATOM 0 H ALA A 15 5.116 10.045 -1.147 1.00 0.00 H new ATOM 0 HA ALA A 15 6.303 8.117 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.110 8.174 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.716 9.808 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.429 9.094 0.344 1.00 0.00 H new ATOM 234 N PHE A 16 4.274 6.978 -1.733 1.00 0.00 N ATOM 235 CA PHE A 16 3.836 5.779 -2.431 1.00 0.00 C ATOM 236 C PHE A 16 5.044 4.977 -2.932 1.00 0.00 C ATOM 237 O PHE A 16 5.028 3.754 -2.919 1.00 0.00 O ATOM 238 CB PHE A 16 2.930 6.171 -3.611 1.00 0.00 C ATOM 239 CG PHE A 16 2.333 5.006 -4.345 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.198 4.394 -3.868 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.913 4.526 -5.510 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.656 3.315 -4.519 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.371 3.446 -6.164 1.00 0.00 C ATOM 244 CZ PHE A 16 1.238 2.844 -5.669 1.00 0.00 C ATOM 0 H PHE A 16 4.058 7.844 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 16 3.273 5.152 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.124 6.804 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.508 6.771 -4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.728 4.767 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.797 5.004 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.229 2.836 -4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.834 3.071 -7.065 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.806 2.000 -6.186 1.00 0.00 H new ATOM 254 N ARG A 17 6.096 5.694 -3.337 1.00 0.00 N ATOM 255 CA ARG A 17 7.301 5.090 -3.905 1.00 0.00 C ATOM 256 C ARG A 17 8.188 4.402 -2.860 1.00 0.00 C ATOM 257 O ARG A 17 9.039 3.588 -3.213 1.00 0.00 O ATOM 258 CB ARG A 17 8.099 6.136 -4.650 1.00 0.00 C ATOM 259 CG ARG A 17 7.558 6.392 -6.032 1.00 0.00 C ATOM 260 CD ARG A 17 7.712 7.835 -6.392 1.00 0.00 C ATOM 261 NE ARG A 17 7.307 8.117 -7.767 1.00 0.00 N ATOM 262 CZ ARG A 17 7.834 9.085 -8.522 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.808 9.858 -8.050 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.390 9.261 -9.759 1.00 0.00 N ATOM 0 H ARG A 17 6.135 6.712 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 17 6.966 4.311 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.093 7.066 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.138 5.813 -4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.085 5.771 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.506 6.110 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.116 8.441 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.752 8.131 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 17 6.575 7.537 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.160 9.715 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.203 10.594 -8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.652 8.660 -10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.786 9.997 -10.343 1.00 0.00 H new ATOM 278 N VAL A 18 7.990 4.738 -1.578 1.00 0.00 N ATOM 279 CA VAL A 18 8.698 4.056 -0.483 1.00 0.00 C ATOM 280 C VAL A 18 8.070 2.696 -0.263 1.00 0.00 C ATOM 281 O VAL A 18 8.756 1.718 0.011 1.00 0.00 O ATOM 282 CB VAL A 18 8.619 4.793 0.883 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.860 4.532 1.719 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.379 6.267 0.726 1.00 0.00 C ATOM 0 H VAL A 18 7.351 5.472 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 18 9.742 4.013 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 18 7.757 4.384 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.777 5.060 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.955 3.462 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.741 4.886 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.332 6.735 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.194 6.709 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.437 6.428 0.202 1.00 0.00 H new ATOM 294 N PHE A 19 6.749 2.661 -0.391 1.00 0.00 N ATOM 295 CA PHE A 19 5.989 1.464 -0.114 1.00 0.00 C ATOM 296 C PHE A 19 6.034 0.481 -1.286 1.00 0.00 C ATOM 297 O PHE A 19 6.178 -0.727 -1.085 1.00 0.00 O ATOM 298 CB PHE A 19 4.538 1.800 0.224 1.00 0.00 C ATOM 299 CG PHE A 19 4.320 2.279 1.629 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.595 3.581 1.989 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.821 1.418 2.589 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.376 4.023 3.272 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.600 1.853 3.880 1.00 0.00 C ATOM 304 CZ PHE A 19 3.880 3.159 4.221 1.00 0.00 C ATOM 0 H PHE A 19 6.185 3.458 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 19 6.452 0.987 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.186 2.567 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.925 0.914 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.989 4.265 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.602 0.394 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.593 5.048 3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.209 1.172 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.710 3.503 5.231 1.00 0.00 H new ATOM 314 N ASP A 20 5.900 1.019 -2.500 1.00 0.00 N ATOM 315 CA ASP A 20 5.951 0.226 -3.715 1.00 0.00 C ATOM 316 C ASP A 20 7.410 -0.022 -4.097 1.00 0.00 C ATOM 317 O ASP A 20 8.111 0.878 -4.565 1.00 0.00 O ATOM 318 CB ASP A 20 5.198 0.922 -4.864 1.00 0.00 C ATOM 319 CG ASP A 20 4.838 -0.025 -6.000 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.679 -0.806 -6.444 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.700 -0.027 -6.449 1.00 0.00 O ATOM 0 H ASP A 20 5.754 2.016 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 20 5.459 -0.729 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.287 1.374 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.813 1.733 -5.255 1.00 0.00 H new ATOM 326 N LYS A 21 7.846 -1.253 -3.863 1.00 0.00 N ATOM 327 CA LYS A 21 9.233 -1.659 -4.089 1.00 0.00 C ATOM 328 C LYS A 21 9.540 -1.921 -5.564 1.00 0.00 C ATOM 329 O LYS A 21 10.673 -1.729 -6.001 1.00 0.00 O ATOM 330 CB LYS A 21 9.564 -2.903 -3.256 1.00 0.00 C ATOM 331 CG LYS A 21 9.365 -2.716 -1.754 1.00 0.00 C ATOM 332 CD LYS A 21 10.211 -1.579 -1.202 1.00 0.00 C ATOM 333 CE LYS A 21 10.044 -1.441 0.301 1.00 0.00 C ATOM 334 NZ LYS A 21 10.755 -0.252 0.835 1.00 0.00 N ATOM 0 H LYS A 21 7.249 -2.002 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 21 9.861 -0.826 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.941 -3.731 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.600 -3.187 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.313 -2.516 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.620 -3.641 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.260 -1.757 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.929 -0.645 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.984 -1.367 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.421 -2.339 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.878 -0.354 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.687 -0.172 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.199 0.604 0.636 1.00 0.00 H new ATOM 348 N ASP A 22 8.536 -2.348 -6.328 1.00 0.00 N ATOM 349 CA ASP A 22 8.761 -2.748 -7.720 1.00 0.00 C ATOM 350 C ASP A 22 8.459 -1.613 -8.718 1.00 0.00 C ATOM 351 O ASP A 22 8.837 -1.694 -9.883 1.00 0.00 O ATOM 352 CB ASP A 22 7.928 -4.006 -8.053 1.00 0.00 C ATOM 353 CG ASP A 22 6.461 -3.878 -7.671 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.785 -3.002 -8.190 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.975 -4.637 -6.829 1.00 0.00 O ATOM 0 H ASP A 22 7.569 -2.426 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 22 9.821 -2.981 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.001 -4.209 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.357 -4.864 -7.536 1.00 0.00 H new ATOM 360 N GLY A 23 7.823 -0.547 -8.229 1.00 0.00 N ATOM 361 CA GLY A 23 7.514 0.626 -9.039 1.00 0.00 C ATOM 362 C GLY A 23 6.421 0.429 -10.098 1.00 0.00 C ATOM 363 O GLY A 23 6.407 1.160 -11.089 1.00 0.00 O ATOM 0 H GLY A 23 7.509 -0.475 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.210 1.435 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.426 0.951 -9.540 1.00 0.00 H new ATOM 367 N ASN A 24 5.496 -0.530 -9.903 1.00 0.00 N ATOM 368 CA ASN A 24 4.453 -0.798 -10.915 1.00 0.00 C ATOM 369 C ASN A 24 3.238 0.128 -10.758 1.00 0.00 C ATOM 370 O ASN A 24 2.410 0.235 -11.667 1.00 0.00 O ATOM 371 CB ASN A 24 3.979 -2.276 -10.911 1.00 0.00 C ATOM 372 CG ASN A 24 3.060 -2.661 -9.748 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.225 -2.220 -8.616 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.065 -3.477 -10.032 1.00 0.00 N ATOM 0 H ASN A 24 5.447 -1.121 -9.073 1.00 0.00 H new ATOM 0 HA ASN A 24 4.928 -0.594 -11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.458 -2.477 -11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.856 -2.923 -10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.410 -3.756 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.950 -3.830 -10.982 1.00 0.00 H new ATOM 381 N GLY A 25 3.127 0.770 -9.599 1.00 0.00 N ATOM 382 CA GLY A 25 2.025 1.672 -9.354 1.00 0.00 C ATOM 383 C GLY A 25 0.896 1.033 -8.569 1.00 0.00 C ATOM 384 O GLY A 25 -0.172 1.613 -8.458 1.00 0.00 O ATOM 0 H GLY A 25 3.785 0.679 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.390 2.543 -8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.638 2.031 -10.308 1.00 0.00 H new ATOM 388 N TYR A 26 1.141 -0.161 -8.030 1.00 0.00 N ATOM 389 CA TYR A 26 0.179 -0.877 -7.195 1.00 0.00 C ATOM 390 C TYR A 26 0.898 -1.526 -6.010 1.00 0.00 C ATOM 391 O TYR A 26 1.886 -2.235 -6.191 1.00 0.00 O ATOM 392 CB TYR A 26 -0.526 -1.983 -7.997 1.00 0.00 C ATOM 393 CG TYR A 26 -1.573 -1.516 -8.985 1.00 0.00 C ATOM 394 CD1 TYR A 26 -1.236 -1.187 -10.289 1.00 0.00 C ATOM 395 CD2 TYR A 26 -2.902 -1.409 -8.607 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.194 -0.770 -11.186 1.00 0.00 C ATOM 397 CE2 TYR A 26 -3.867 -0.997 -9.496 1.00 0.00 C ATOM 398 CZ TYR A 26 -3.511 -0.671 -10.783 1.00 0.00 C ATOM 399 OH TYR A 26 -4.472 -0.250 -11.671 1.00 0.00 O ATOM 0 H TYR A 26 2.020 -0.662 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.559 -0.156 -6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.230 -2.550 -8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.998 -2.670 -7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.206 -1.259 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.186 -1.654 -7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.917 -0.522 -12.200 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.899 -0.930 -9.185 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.345 -0.238 -11.227 1.00 0.00 H new ATOM 409 N ILE A 27 0.393 -1.311 -4.810 1.00 0.00 N ATOM 410 CA ILE A 27 0.947 -1.939 -3.618 1.00 0.00 C ATOM 411 C ILE A 27 0.206 -3.241 -3.354 1.00 0.00 C ATOM 412 O ILE A 27 -0.967 -3.241 -2.980 1.00 0.00 O ATOM 413 CB ILE A 27 0.864 -1.015 -2.364 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.563 0.324 -2.631 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.496 -1.695 -1.143 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.362 1.354 -1.534 1.00 0.00 C ATOM 0 H ILE A 27 -0.406 -0.702 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 27 2.004 -2.131 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.190 -0.829 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.631 0.146 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.195 0.733 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.426 -1.032 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.967 -2.624 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.544 -1.913 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.887 2.273 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.298 1.563 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.757 0.967 -0.595 1.00 0.00 H new ATOM 428 N SER A 28 0.900 -4.346 -3.579 1.00 0.00 N ATOM 429 CA SER A 28 0.354 -5.661 -3.305 1.00 0.00 C ATOM 430 C SER A 28 0.508 -5.999 -1.818 1.00 0.00 C ATOM 431 O SER A 28 1.152 -5.259 -1.060 1.00 0.00 O ATOM 432 CB SER A 28 1.058 -6.708 -4.181 1.00 0.00 C ATOM 433 OG SER A 28 2.456 -6.715 -3.953 1.00 0.00 O ATOM 0 H SER A 28 1.849 -4.355 -3.953 1.00 0.00 H new ATOM 0 HA SER A 28 -0.709 -5.666 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.648 -7.696 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.860 -6.498 -5.232 1.00 0.00 H new ATOM 0 HG SER A 28 2.864 -5.944 -4.399 1.00 0.00 H new ATOM 439 N ALA A 29 -0.080 -7.125 -1.412 1.00 0.00 N ATOM 440 CA ALA A 29 0.022 -7.601 -0.035 1.00 0.00 C ATOM 441 C ALA A 29 1.443 -8.059 0.300 1.00 0.00 C ATOM 442 O ALA A 29 1.847 -7.980 1.440 1.00 0.00 O ATOM 443 CB ALA A 29 -0.977 -8.722 0.225 1.00 0.00 C ATOM 0 H ALA A 29 -0.634 -7.726 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.218 -6.763 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.883 -9.061 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.989 -8.354 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.775 -9.554 -0.450 1.00 0.00 H new ATOM 449 N ALA A 30 2.205 -8.489 -0.715 1.00 0.00 N ATOM 450 CA ALA A 30 3.602 -8.900 -0.531 1.00 0.00 C ATOM 451 C ALA A 30 4.509 -7.699 -0.234 1.00 0.00 C ATOM 452 O ALA A 30 5.449 -7.801 0.562 1.00 0.00 O ATOM 453 CB ALA A 30 4.094 -9.632 -1.770 1.00 0.00 C ATOM 0 H ALA A 30 1.874 -8.561 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 30 3.645 -9.569 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.131 -9.934 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.479 -10.516 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.025 -8.971 -2.634 1.00 0.00 H new ATOM 459 N GLU A 31 4.192 -6.557 -0.866 1.00 0.00 N ATOM 460 CA GLU A 31 4.967 -5.326 -0.701 1.00 0.00 C ATOM 461 C GLU A 31 4.742 -4.712 0.667 1.00 0.00 C ATOM 462 O GLU A 31 5.701 -4.472 1.393 1.00 0.00 O ATOM 463 CB GLU A 31 4.613 -4.313 -1.788 1.00 0.00 C ATOM 464 CG GLU A 31 5.023 -4.760 -3.168 1.00 0.00 C ATOM 465 CD GLU A 31 4.567 -3.814 -4.244 1.00 0.00 C ATOM 466 OE1 GLU A 31 5.201 -2.781 -4.435 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.590 -4.114 -4.949 1.00 0.00 O ATOM 0 H GLU A 31 3.398 -6.466 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 31 6.021 -5.589 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.538 -4.135 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.096 -3.362 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.108 -4.853 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.611 -5.750 -3.362 1.00 0.00 H new ATOM 474 N LEU A 32 3.467 -4.526 1.029 1.00 0.00 N ATOM 475 CA LEU A 32 3.095 -3.884 2.292 1.00 0.00 C ATOM 476 C LEU A 32 3.489 -4.744 3.501 1.00 0.00 C ATOM 477 O LEU A 32 3.838 -4.208 4.545 1.00 0.00 O ATOM 478 CB LEU A 32 1.586 -3.585 2.317 1.00 0.00 C ATOM 479 CG LEU A 32 1.088 -2.784 3.531 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.671 -1.381 3.532 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.424 -2.721 3.550 1.00 0.00 C ATOM 0 H LEU A 32 2.672 -4.814 0.459 1.00 0.00 H new ATOM 0 HA LEU A 32 3.644 -2.945 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.327 -3.036 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.046 -4.531 2.282 1.00 0.00 H new ATOM 0 HG LEU A 32 1.426 -3.298 4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.303 -0.835 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.759 -1.439 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.370 -0.861 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.753 -2.149 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.779 -2.237 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.830 -3.731 3.606 1.00 0.00 H new ATOM 493 N ARG A 33 3.471 -6.072 3.325 1.00 0.00 N ATOM 494 CA ARG A 33 3.866 -7.027 4.372 1.00 0.00 C ATOM 495 C ARG A 33 5.339 -6.869 4.724 1.00 0.00 C ATOM 496 O ARG A 33 5.703 -6.829 5.898 1.00 0.00 O ATOM 497 CB ARG A 33 3.604 -8.449 3.886 1.00 0.00 C ATOM 498 CG ARG A 33 3.684 -9.523 4.949 1.00 0.00 C ATOM 499 CD ARG A 33 3.525 -10.886 4.313 1.00 0.00 C ATOM 500 NE ARG A 33 3.585 -11.978 5.278 1.00 0.00 N ATOM 501 CZ ARG A 33 4.320 -13.081 5.111 1.00 0.00 C ATOM 502 NH1 ARG A 33 5.159 -13.191 4.078 1.00 0.00 N ATOM 503 NH2 ARG A 33 4.230 -14.069 5.989 1.00 0.00 N ATOM 0 H ARG A 33 3.182 -6.516 2.453 1.00 0.00 H new ATOM 0 HA ARG A 33 3.276 -6.826 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.613 -8.483 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.322 -8.685 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.641 -9.463 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.906 -9.367 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.571 -10.926 3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.307 -11.025 3.566 1.00 0.00 H new ATOM 0 HE ARG A 33 3.033 -11.895 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.244 -12.428 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.715 -14.038 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.602 -13.985 6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.789 -14.913 5.866 1.00 0.00 H new ATOM 517 N HIS A 34 6.164 -6.727 3.688 1.00 0.00 N ATOM 518 CA HIS A 34 7.600 -6.574 3.852 1.00 0.00 C ATOM 519 C HIS A 34 7.944 -5.194 4.435 1.00 0.00 C ATOM 520 O HIS A 34 8.868 -5.091 5.225 1.00 0.00 O ATOM 521 CB HIS A 34 8.310 -6.801 2.509 1.00 0.00 C ATOM 522 CG HIS A 34 9.776 -7.112 2.638 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.264 -8.395 2.703 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.855 -6.299 2.711 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.576 -8.360 2.808 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.962 -7.102 2.815 1.00 0.00 N ATOM 0 H HIS A 34 5.853 -6.715 2.717 1.00 0.00 H new ATOM 0 HA HIS A 34 7.952 -7.325 4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.820 -7.621 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.191 -5.911 1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.846 -5.219 2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.226 -9.220 2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.926 -6.777 2.886 1.00 0.00 H new ATOM 535 N VAL A 35 7.178 -4.155 4.060 1.00 0.00 N ATOM 536 CA VAL A 35 7.372 -2.790 4.588 1.00 0.00 C ATOM 537 C VAL A 35 7.038 -2.729 6.088 1.00 0.00 C ATOM 538 O VAL A 35 7.812 -2.180 6.868 1.00 0.00 O ATOM 539 CB VAL A 35 6.527 -1.732 3.805 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.665 -0.334 4.403 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.930 -1.685 2.342 1.00 0.00 C ATOM 0 H VAL A 35 6.414 -4.234 3.389 1.00 0.00 H new ATOM 0 HA VAL A 35 8.425 -2.543 4.449 1.00 0.00 H new ATOM 0 HB VAL A 35 5.486 -2.046 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.062 0.369 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.322 -0.345 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.710 -0.026 4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.326 -0.941 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.984 -1.417 2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.770 -2.663 1.889 1.00 0.00 H new ATOM 551 N MET A 36 5.907 -3.337 6.475 1.00 0.00 N ATOM 552 CA MET A 36 5.461 -3.387 7.879 1.00 0.00 C ATOM 553 C MET A 36 6.463 -4.117 8.766 1.00 0.00 C ATOM 554 O MET A 36 6.788 -3.656 9.851 1.00 0.00 O ATOM 555 CB MET A 36 4.105 -4.078 7.984 1.00 0.00 C ATOM 556 CG MET A 36 2.943 -3.248 7.468 1.00 0.00 C ATOM 557 SD MET A 36 2.613 -1.806 8.490 1.00 0.00 S ATOM 558 CE MET A 36 1.283 -1.052 7.559 1.00 0.00 C ATOM 0 H MET A 36 5.276 -3.808 5.827 1.00 0.00 H new ATOM 0 HA MET A 36 5.379 -2.357 8.225 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.143 -5.015 7.428 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.920 -4.334 9.027 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.157 -2.925 6.449 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.049 -3.870 7.424 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.761 -0.331 8.188 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.693 -0.543 6.687 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.584 -1.823 7.234 1.00 0.00 H new ATOM 568 N THR A 37 6.961 -5.245 8.273 1.00 0.00 N ATOM 569 CA THR A 37 7.965 -6.042 8.979 1.00 0.00 C ATOM 570 C THR A 37 9.306 -5.280 9.109 1.00 0.00 C ATOM 571 O THR A 37 9.932 -5.294 10.170 1.00 0.00 O ATOM 572 CB THR A 37 8.170 -7.395 8.249 1.00 0.00 C ATOM 573 OG1 THR A 37 6.915 -8.090 8.172 1.00 0.00 O ATOM 574 CG2 THR A 37 9.186 -8.289 8.948 1.00 0.00 C ATOM 0 H THR A 37 6.682 -5.635 7.373 1.00 0.00 H new ATOM 0 HA THR A 37 7.602 -6.233 9.989 1.00 0.00 H new ATOM 0 HB THR A 37 8.555 -7.170 7.254 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.401 -7.753 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.291 -9.222 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.150 -7.782 8.989 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.846 -8.504 9.961 1.00 0.00 H new ATOM 582 N ASN A 38 9.683 -4.561 8.046 1.00 0.00 N ATOM 583 CA ASN A 38 10.957 -3.826 7.975 1.00 0.00 C ATOM 584 C ASN A 38 10.988 -2.638 8.944 1.00 0.00 C ATOM 585 O ASN A 38 12.022 -2.351 9.550 1.00 0.00 O ATOM 586 CB ASN A 38 11.178 -3.326 6.539 1.00 0.00 C ATOM 587 CG ASN A 38 12.542 -2.704 6.302 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.543 -3.126 6.874 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.581 -1.685 5.462 1.00 0.00 N ATOM 0 H ASN A 38 9.112 -4.470 7.205 1.00 0.00 H new ATOM 0 HA ASN A 38 11.755 -4.510 8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.047 -4.161 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.409 -2.592 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.467 -1.218 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.725 -1.366 5.008 1.00 0.00 H new ATOM 596 N LEU A 39 9.845 -1.976 9.101 1.00 0.00 N ATOM 597 CA LEU A 39 9.750 -0.791 9.947 1.00 0.00 C ATOM 598 C LEU A 39 9.611 -1.154 11.431 1.00 0.00 C ATOM 599 O LEU A 39 9.966 -0.358 12.298 1.00 0.00 O ATOM 600 CB LEU A 39 8.586 0.093 9.492 1.00 0.00 C ATOM 601 CG LEU A 39 8.713 0.680 8.080 1.00 0.00 C ATOM 602 CD1 LEU A 39 7.495 1.520 7.737 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.980 1.512 7.956 1.00 0.00 C ATOM 0 H LEU A 39 8.969 -2.242 8.651 1.00 0.00 H new ATOM 0 HA LEU A 39 10.680 -0.233 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.668 -0.492 9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.479 0.915 10.200 1.00 0.00 H new ATOM 0 HG LEU A 39 8.773 -0.148 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.605 1.927 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.600 0.899 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.404 2.338 8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.051 1.919 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.950 2.330 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.848 0.884 8.156 1.00 0.00 H new ATOM 615 N GLY A 40 9.111 -2.357 11.718 1.00 0.00 N ATOM 616 CA GLY A 40 9.052 -2.831 13.094 1.00 0.00 C ATOM 617 C GLY A 40 7.638 -3.027 13.604 1.00 0.00 C ATOM 618 O GLY A 40 7.394 -2.971 14.806 1.00 0.00 O ATOM 0 H GLY A 40 8.747 -3.010 11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.591 -3.775 13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.567 -2.118 13.738 1.00 0.00 H new ATOM 622 N GLU A 41 6.708 -3.248 12.686 1.00 0.00 N ATOM 623 CA GLU A 41 5.314 -3.538 13.032 1.00 0.00 C ATOM 624 C GLU A 41 5.075 -5.038 13.056 1.00 0.00 C ATOM 625 O GLU A 41 4.264 -5.516 13.848 1.00 0.00 O ATOM 626 CB GLU A 41 4.333 -2.880 12.047 1.00 0.00 C ATOM 627 CG GLU A 41 4.059 -1.401 12.312 1.00 0.00 C ATOM 628 CD GLU A 41 5.260 -0.496 12.118 1.00 0.00 C ATOM 629 OE1 GLU A 41 5.782 -0.424 10.994 1.00 0.00 O ATOM 630 OE2 GLU A 41 5.694 0.132 13.098 1.00 0.00 O ATOM 0 H GLU A 41 6.892 -3.233 11.683 1.00 0.00 H new ATOM 0 HA GLU A 41 5.134 -3.122 14.023 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.727 -2.987 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.388 -3.422 12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.258 -1.068 11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.696 -1.289 13.334 1.00 0.00 H new ATOM 637 N LYS A 42 5.789 -5.754 12.160 1.00 0.00 N ATOM 638 CA LYS A 42 5.734 -7.227 12.029 1.00 0.00 C ATOM 639 C LYS A 42 4.338 -7.727 11.649 1.00 0.00 C ATOM 640 O LYS A 42 3.946 -8.827 12.052 1.00 0.00 O ATOM 641 CB LYS A 42 6.192 -7.933 13.317 1.00 0.00 C ATOM 642 CG LYS A 42 7.671 -7.814 13.622 1.00 0.00 C ATOM 643 CD LYS A 42 7.991 -8.486 14.945 1.00 0.00 C ATOM 644 CE LYS A 42 9.475 -8.458 15.248 1.00 0.00 C ATOM 645 NZ LYS A 42 10.247 -9.332 14.327 1.00 0.00 N ATOM 0 H LYS A 42 6.430 -5.318 11.497 1.00 0.00 H new ATOM 0 HA LYS A 42 6.422 -7.477 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.629 -7.525 14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.935 -8.990 13.245 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.252 -8.274 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.958 -6.763 13.661 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.447 -7.987 15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.645 -9.519 14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.842 -7.435 15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.641 -8.778 16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.221 -9.432 14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.798 -10.269 14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.263 -8.907 13.378 1.00 0.00 H new ATOM 659 N LEU A 43 3.606 -6.922 10.863 1.00 0.00 N ATOM 660 CA LEU A 43 2.255 -7.272 10.428 1.00 0.00 C ATOM 661 C LEU A 43 2.272 -8.538 9.593 1.00 0.00 C ATOM 662 O LEU A 43 3.009 -8.638 8.604 1.00 0.00 O ATOM 663 CB LEU A 43 1.610 -6.136 9.626 1.00 0.00 C ATOM 664 CG LEU A 43 0.479 -5.375 10.326 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.989 -4.604 11.532 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.208 -4.438 9.350 1.00 0.00 C ATOM 0 H LEU A 43 3.934 -6.020 10.517 1.00 0.00 H new ATOM 0 HA LEU A 43 1.660 -7.441 11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.388 -5.422 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.221 -6.550 8.696 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.245 -6.107 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.160 -4.076 12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.431 -5.298 12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.742 -3.884 11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.009 -3.904 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.516 -3.721 8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.625 -5.015 8.524 1.00 0.00 H new ATOM 678 N THR A 44 1.477 -9.507 10.035 1.00 0.00 N ATOM 679 CA THR A 44 1.397 -10.811 9.392 1.00 0.00 C ATOM 680 C THR A 44 0.645 -10.722 8.068 1.00 0.00 C ATOM 681 O THR A 44 0.077 -9.681 7.744 1.00 0.00 O ATOM 682 CB THR A 44 0.689 -11.838 10.299 1.00 0.00 C ATOM 683 OG1 THR A 44 -0.640 -11.400 10.603 1.00 0.00 O ATOM 684 CG2 THR A 44 1.465 -12.060 11.588 1.00 0.00 C ATOM 0 H THR A 44 0.871 -9.409 10.849 1.00 0.00 H new ATOM 0 HA THR A 44 2.420 -11.139 9.208 1.00 0.00 H new ATOM 0 HB THR A 44 0.642 -12.784 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.604 -10.685 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.942 -12.789 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.462 -12.433 11.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.548 -11.118 12.129 1.00 0.00 H new ATOM 692 N ASP A 45 0.608 -11.828 7.332 1.00 0.00 N ATOM 693 CA ASP A 45 -0.039 -11.871 6.017 1.00 0.00 C ATOM 694 C ASP A 45 -1.554 -11.622 6.136 1.00 0.00 C ATOM 695 O ASP A 45 -2.152 -10.969 5.285 1.00 0.00 O ATOM 696 CB ASP A 45 0.251 -13.222 5.360 1.00 0.00 C ATOM 697 CG ASP A 45 -0.071 -13.253 3.880 1.00 0.00 C ATOM 698 OD1 ASP A 45 0.687 -12.658 3.090 1.00 0.00 O ATOM 699 OD2 ASP A 45 -1.069 -13.891 3.501 1.00 0.00 O ATOM 0 H ASP A 45 1.020 -12.714 7.623 1.00 0.00 H new ATOM 0 HA ASP A 45 0.367 -11.076 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.304 -13.467 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.327 -13.995 5.866 1.00 0.00 H new ATOM 704 N GLU A 46 -2.131 -12.085 7.249 1.00 0.00 N ATOM 705 CA GLU A 46 -3.539 -11.862 7.572 1.00 0.00 C ATOM 706 C GLU A 46 -3.819 -10.368 7.854 1.00 0.00 C ATOM 707 O GLU A 46 -4.790 -9.809 7.348 1.00 0.00 O ATOM 708 CB GLU A 46 -3.902 -12.713 8.795 1.00 0.00 C ATOM 709 CG GLU A 46 -5.225 -13.454 8.690 1.00 0.00 C ATOM 710 CD GLU A 46 -6.432 -12.539 8.622 1.00 0.00 C ATOM 711 OE1 GLU A 46 -6.890 -12.078 9.685 1.00 0.00 O ATOM 712 OE2 GLU A 46 -6.937 -12.298 7.511 1.00 0.00 O ATOM 0 H GLU A 46 -1.630 -12.627 7.953 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.152 -12.153 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.107 -13.440 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.933 -12.067 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.208 -14.085 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.330 -14.116 9.550 1.00 0.00 H new ATOM 719 N GLU A 47 -2.936 -9.730 8.636 1.00 0.00 N ATOM 720 CA GLU A 47 -3.076 -8.310 9.021 1.00 0.00 C ATOM 721 C GLU A 47 -2.906 -7.360 7.833 1.00 0.00 C ATOM 722 O GLU A 47 -3.579 -6.333 7.752 1.00 0.00 O ATOM 723 CB GLU A 47 -2.048 -7.944 10.083 1.00 0.00 C ATOM 724 CG GLU A 47 -2.301 -8.559 11.439 1.00 0.00 C ATOM 725 CD GLU A 47 -1.139 -8.335 12.375 1.00 0.00 C ATOM 726 OE1 GLU A 47 -1.054 -7.253 12.978 1.00 0.00 O ATOM 727 OE2 GLU A 47 -0.301 -9.241 12.500 1.00 0.00 O ATOM 0 H GLU A 47 -2.105 -10.179 9.021 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.088 -8.195 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.061 -8.252 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.024 -6.859 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.205 -8.130 11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.478 -9.629 11.327 1.00 0.00 H new ATOM 734 N VAL A 48 -1.998 -7.712 6.929 1.00 0.00 N ATOM 735 CA VAL A 48 -1.733 -6.921 5.726 1.00 0.00 C ATOM 736 C VAL A 48 -2.896 -7.012 4.730 1.00 0.00 C ATOM 737 O VAL A 48 -3.187 -6.042 4.042 1.00 0.00 O ATOM 738 CB VAL A 48 -0.392 -7.354 5.074 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.127 -6.634 3.760 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.747 -7.082 6.033 1.00 0.00 C ATOM 0 H VAL A 48 -1.424 -8.552 7.007 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.643 -5.875 6.021 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.464 -8.420 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.822 -6.972 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.930 -6.854 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.084 -5.559 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.688 -7.386 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.783 -6.017 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.591 -7.647 6.952 1.00 0.00 H new ATOM 750 N ASP A 49 -3.594 -8.153 4.712 1.00 0.00 N ATOM 751 CA ASP A 49 -4.781 -8.333 3.863 1.00 0.00 C ATOM 752 C ASP A 49 -5.911 -7.381 4.292 1.00 0.00 C ATOM 753 O ASP A 49 -6.652 -6.868 3.449 1.00 0.00 O ATOM 754 CB ASP A 49 -5.253 -9.788 3.922 1.00 0.00 C ATOM 755 CG ASP A 49 -6.266 -10.122 2.845 1.00 0.00 C ATOM 756 OD1 ASP A 49 -5.848 -10.434 1.712 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.479 -10.087 3.125 1.00 0.00 O ATOM 0 H ASP A 49 -3.358 -8.969 5.277 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.510 -8.092 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.392 -10.449 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.692 -9.983 4.900 1.00 0.00 H new ATOM 762 N GLU A 50 -5.989 -7.115 5.604 1.00 0.00 N ATOM 763 CA GLU A 50 -6.940 -6.147 6.173 1.00 0.00 C ATOM 764 C GLU A 50 -6.570 -4.712 5.783 1.00 0.00 C ATOM 765 O GLU A 50 -7.440 -3.892 5.512 1.00 0.00 O ATOM 766 CB GLU A 50 -6.958 -6.232 7.700 1.00 0.00 C ATOM 767 CG GLU A 50 -7.114 -7.631 8.265 1.00 0.00 C ATOM 768 CD GLU A 50 -8.522 -8.151 8.150 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.883 -8.682 7.088 1.00 0.00 O ATOM 770 OE2 GLU A 50 -9.284 -8.018 9.129 1.00 0.00 O ATOM 0 H GLU A 50 -5.395 -7.564 6.301 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.922 -6.397 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.032 -5.803 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.774 -5.613 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.438 -8.307 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.816 -7.630 9.313 1.00 0.00 H new ATOM 777 N MET A 51 -5.270 -4.430 5.747 1.00 0.00 N ATOM 778 CA MET A 51 -4.773 -3.098 5.402 1.00 0.00 C ATOM 779 C MET A 51 -4.945 -2.799 3.917 1.00 0.00 C ATOM 780 O MET A 51 -5.198 -1.654 3.546 1.00 0.00 O ATOM 781 CB MET A 51 -3.303 -2.963 5.795 1.00 0.00 C ATOM 782 CG MET A 51 -3.045 -2.878 7.295 1.00 0.00 C ATOM 783 SD MET A 51 -3.040 -1.186 7.952 1.00 0.00 S ATOM 784 CE MET A 51 -4.771 -0.728 7.892 1.00 0.00 C ATOM 0 H MET A 51 -4.537 -5.109 5.953 1.00 0.00 H new ATOM 0 HA MET A 51 -5.364 -2.372 5.960 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.755 -3.816 5.395 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.895 -2.071 5.320 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.807 -3.457 7.817 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.085 -3.344 7.515 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.976 0.020 8.658 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.004 -0.315 6.911 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.387 -1.609 8.071 1.00 0.00 H new ATOM 794 N ILE A 52 -4.820 -3.833 3.078 1.00 0.00 N ATOM 795 CA ILE A 52 -5.025 -3.696 1.638 1.00 0.00 C ATOM 796 C ILE A 52 -6.511 -3.473 1.327 1.00 0.00 C ATOM 797 O ILE A 52 -6.831 -2.610 0.534 1.00 0.00 O ATOM 798 CB ILE A 52 -4.479 -4.925 0.832 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.951 -5.085 0.998 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.828 -4.828 -0.655 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.116 -3.923 0.478 1.00 0.00 C ATOM 0 H ILE A 52 -4.576 -4.777 3.377 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.454 -2.824 1.318 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.968 -5.806 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.730 -5.225 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.639 -5.994 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.432 -5.698 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.911 -4.795 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.389 -3.922 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.059 -4.133 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.299 -3.792 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.391 -3.011 1.008 1.00 0.00 H new ATOM 813 N ARG A 53 -7.412 -4.204 2.006 1.00 0.00 N ATOM 814 CA ARG A 53 -8.854 -4.124 1.702 1.00 0.00 C ATOM 815 C ARG A 53 -9.490 -2.802 2.158 1.00 0.00 C ATOM 816 O ARG A 53 -10.530 -2.407 1.643 1.00 0.00 O ATOM 817 CB ARG A 53 -9.634 -5.310 2.296 1.00 0.00 C ATOM 818 CG ARG A 53 -9.710 -5.361 3.819 1.00 0.00 C ATOM 819 CD ARG A 53 -10.721 -6.386 4.272 1.00 0.00 C ATOM 820 NE ARG A 53 -10.796 -6.542 5.729 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.862 -7.042 6.374 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.979 -7.346 5.716 1.00 0.00 N ATOM 823 NH2 ARG A 53 -11.803 -7.243 7.678 1.00 0.00 N ATOM 0 H ARG A 53 -7.173 -4.849 2.759 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.923 -4.168 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.650 -5.286 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.176 -6.234 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.730 -5.605 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.982 -4.379 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.704 -6.104 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.473 -7.349 3.825 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.991 -6.254 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.033 -7.200 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.781 -7.725 6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.950 -7.019 8.191 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.610 -7.623 8.173 1.00 0.00 H new ATOM 837 N GLU A 54 -8.869 -2.124 3.119 1.00 0.00 N ATOM 838 CA GLU A 54 -9.364 -0.839 3.590 1.00 0.00 C ATOM 839 C GLU A 54 -8.747 0.315 2.800 1.00 0.00 C ATOM 840 O GLU A 54 -9.294 1.411 2.762 1.00 0.00 O ATOM 841 CB GLU A 54 -9.073 -0.673 5.073 1.00 0.00 C ATOM 842 CG GLU A 54 -9.822 -1.650 5.955 1.00 0.00 C ATOM 843 CD GLU A 54 -9.600 -1.376 7.427 1.00 0.00 C ATOM 844 OE1 GLU A 54 -8.436 -1.216 7.843 1.00 0.00 O ATOM 845 OE2 GLU A 54 -10.593 -1.303 8.172 1.00 0.00 O ATOM 0 H GLU A 54 -8.021 -2.446 3.586 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.443 -0.817 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.003 -0.794 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.329 0.343 5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.888 -1.594 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.501 -2.666 5.724 1.00 0.00 H new ATOM 852 N ALA A 55 -7.605 0.055 2.168 1.00 0.00 N ATOM 853 CA ALA A 55 -6.928 1.050 1.342 1.00 0.00 C ATOM 854 C ALA A 55 -7.385 0.972 -0.115 1.00 0.00 C ATOM 855 O ALA A 55 -7.228 1.926 -0.875 1.00 0.00 O ATOM 856 CB ALA A 55 -5.431 0.851 1.424 1.00 0.00 C ATOM 0 H ALA A 55 -7.126 -0.844 2.214 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.188 2.038 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.930 1.596 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.106 0.960 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.177 -0.147 1.067 1.00 0.00 H new ATOM 862 N ASP A 56 -7.958 -0.170 -0.489 1.00 0.00 N ATOM 863 CA ASP A 56 -8.358 -0.420 -1.865 1.00 0.00 C ATOM 864 C ASP A 56 -9.772 0.077 -2.114 1.00 0.00 C ATOM 865 O ASP A 56 -10.747 -0.450 -1.577 1.00 0.00 O ATOM 866 CB ASP A 56 -8.248 -1.906 -2.218 1.00 0.00 C ATOM 867 CG ASP A 56 -7.798 -2.090 -3.647 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.646 -1.799 -3.939 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.597 -2.466 -4.500 1.00 0.00 O ATOM 0 H ASP A 56 -8.155 -0.940 0.150 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.675 0.132 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.542 -2.392 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.213 -2.391 -2.071 1.00 0.00 H new ATOM 874 N ILE A 57 -9.851 1.116 -2.921 1.00 0.00 N ATOM 875 CA ILE A 57 -11.101 1.762 -3.275 1.00 0.00 C ATOM 876 C ILE A 57 -11.839 0.972 -4.366 1.00 0.00 C ATOM 877 O ILE A 57 -13.046 0.764 -4.275 1.00 0.00 O ATOM 878 CB ILE A 57 -10.835 3.220 -3.752 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.043 3.994 -2.688 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.141 3.948 -4.064 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.592 5.370 -3.132 1.00 0.00 C ATOM 0 H ILE A 57 -9.034 1.543 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.734 1.789 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.247 3.169 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.659 4.096 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.167 3.410 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.922 4.963 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.674 3.417 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.761 3.984 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.040 5.850 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.948 5.277 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.463 5.974 -3.386 1.00 0.00 H new ATOM 893 N ASP A 58 -11.097 0.496 -5.370 1.00 0.00 N ATOM 894 CA ASP A 58 -11.703 -0.086 -6.577 1.00 0.00 C ATOM 895 C ASP A 58 -11.966 -1.609 -6.469 1.00 0.00 C ATOM 896 O ASP A 58 -12.670 -2.172 -7.306 1.00 0.00 O ATOM 897 CB ASP A 58 -10.805 0.213 -7.805 1.00 0.00 C ATOM 898 CG ASP A 58 -9.369 -0.296 -7.668 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.173 -1.401 -7.191 1.00 0.00 O ATOM 900 OD2 ASP A 58 -8.417 0.415 -8.015 1.00 0.00 O ATOM 0 H ASP A 58 -10.077 0.501 -5.374 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.680 0.383 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.256 -0.237 -8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.783 1.290 -7.972 1.00 0.00 H new ATOM 905 N GLY A 59 -11.401 -2.249 -5.434 1.00 0.00 N ATOM 906 CA GLY A 59 -11.549 -3.692 -5.229 1.00 0.00 C ATOM 907 C GLY A 59 -10.837 -4.569 -6.270 1.00 0.00 C ATOM 908 O GLY A 59 -11.486 -5.375 -6.939 1.00 0.00 O ATOM 0 H GLY A 59 -10.835 -1.784 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.167 -3.945 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.611 -3.938 -5.233 1.00 0.00 H new ATOM 912 N ASP A 60 -9.516 -4.404 -6.425 1.00 0.00 N ATOM 913 CA ASP A 60 -8.731 -5.283 -7.311 1.00 0.00 C ATOM 914 C ASP A 60 -7.700 -6.117 -6.538 1.00 0.00 C ATOM 915 O ASP A 60 -7.187 -7.107 -7.053 1.00 0.00 O ATOM 916 CB ASP A 60 -8.020 -4.479 -8.439 1.00 0.00 C ATOM 917 CG ASP A 60 -7.124 -3.331 -7.958 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.683 -3.340 -6.823 1.00 0.00 O ATOM 919 OD2 ASP A 60 -6.896 -2.377 -8.707 1.00 0.00 O ATOM 0 H ASP A 60 -8.972 -3.680 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.447 -5.967 -7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.415 -5.168 -9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.779 -4.071 -9.106 1.00 0.00 H new ATOM 924 N GLY A 61 -7.415 -5.728 -5.298 1.00 0.00 N ATOM 925 CA GLY A 61 -6.430 -6.445 -4.498 1.00 0.00 C ATOM 926 C GLY A 61 -5.075 -5.747 -4.379 1.00 0.00 C ATOM 927 O GLY A 61 -4.212 -6.219 -3.638 1.00 0.00 O ATOM 0 H GLY A 61 -7.847 -4.930 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.835 -6.596 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.278 -7.433 -4.933 1.00 0.00 H new ATOM 931 N GLN A 62 -4.868 -4.646 -5.113 1.00 0.00 N ATOM 932 CA GLN A 62 -3.616 -3.876 -5.029 1.00 0.00 C ATOM 933 C GLN A 62 -3.893 -2.377 -5.027 1.00 0.00 C ATOM 934 O GLN A 62 -4.619 -1.845 -5.876 1.00 0.00 O ATOM 935 CB GLN A 62 -2.671 -4.135 -6.189 1.00 0.00 C ATOM 936 CG GLN A 62 -2.379 -5.588 -6.520 1.00 0.00 C ATOM 937 CD GLN A 62 -1.352 -5.721 -7.628 1.00 0.00 C ATOM 938 OE1 GLN A 62 -0.154 -5.794 -7.374 1.00 0.00 O ATOM 939 NE2 GLN A 62 -1.814 -5.709 -8.869 1.00 0.00 N ATOM 0 H GLN A 62 -5.549 -4.267 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.151 -4.205 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.086 -3.660 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.725 -3.638 -5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.018 -6.098 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.302 -6.085 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.818 -5.647 -9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.166 -5.762 -9.655 1.00 0.00 H new ATOM 948 N VAL A 63 -3.234 -1.705 -4.126 1.00 0.00 N ATOM 949 CA VAL A 63 -3.509 -0.310 -3.806 1.00 0.00 C ATOM 950 C VAL A 63 -2.685 0.623 -4.701 1.00 0.00 C ATOM 951 O VAL A 63 -1.485 0.771 -4.510 1.00 0.00 O ATOM 952 CB VAL A 63 -3.192 -0.036 -2.306 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.524 1.390 -1.899 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.933 -1.019 -1.411 1.00 0.00 C ATOM 0 H VAL A 63 -2.475 -2.108 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.566 -0.114 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.118 -0.174 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.286 1.532 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.939 2.086 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.586 1.576 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.697 -0.810 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.007 -0.916 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.626 -2.036 -1.655 1.00 0.00 H new ATOM 964 N ASN A 64 -3.339 1.254 -5.681 1.00 0.00 N ATOM 965 CA ASN A 64 -2.646 2.161 -6.597 1.00 0.00 C ATOM 966 C ASN A 64 -2.506 3.557 -5.976 1.00 0.00 C ATOM 967 O ASN A 64 -2.881 3.758 -4.820 1.00 0.00 O ATOM 968 CB ASN A 64 -3.314 2.205 -8.003 1.00 0.00 C ATOM 969 CG ASN A 64 -4.507 3.146 -8.176 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.340 4.326 -8.465 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.708 2.627 -8.076 1.00 0.00 N ATOM 0 H ASN A 64 -4.338 1.154 -5.859 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.642 1.767 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.553 2.486 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.639 1.196 -8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.530 3.208 -8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.820 1.642 -7.834 1.00 0.00 H new ATOM 978 N TYR A 65 -1.938 4.493 -6.753 1.00 0.00 N ATOM 979 CA TYR A 65 -1.651 5.862 -6.308 1.00 0.00 C ATOM 980 C TYR A 65 -2.857 6.555 -5.646 1.00 0.00 C ATOM 981 O TYR A 65 -2.741 6.987 -4.510 1.00 0.00 O ATOM 982 CB TYR A 65 -1.122 6.688 -7.497 1.00 0.00 C ATOM 983 CG TYR A 65 -0.988 8.175 -7.218 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.013 8.666 -6.357 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.858 9.086 -7.813 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.083 10.017 -6.094 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.761 10.435 -7.556 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.793 10.895 -6.698 1.00 0.00 C ATOM 989 OH TYR A 65 -0.712 12.241 -6.435 1.00 0.00 O ATOM 0 H TYR A 65 -1.663 4.316 -7.719 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.887 5.798 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.148 6.297 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.791 6.549 -8.346 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.678 7.981 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.622 8.728 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.841 10.386 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.443 11.128 -8.027 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.402 12.716 -6.944 1.00 0.00 H new ATOM 999 N GLU A 66 -4.011 6.607 -6.332 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.194 7.331 -5.821 1.00 0.00 C ATOM 1001 C GLU A 66 -5.810 6.636 -4.595 1.00 0.00 C ATOM 1002 O GLU A 66 -6.392 7.292 -3.731 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.257 7.496 -6.922 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.815 6.193 -7.474 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.916 6.410 -8.488 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -9.066 6.653 -8.081 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -7.634 6.339 -9.700 1.00 0.00 O ATOM 0 H GLU A 66 -4.153 6.160 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.850 8.317 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.082 8.088 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.823 8.065 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.008 5.625 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.199 5.590 -6.651 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.631 5.316 -4.521 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.137 4.510 -3.417 1.00 0.00 C ATOM 1016 C GLU A 67 -5.326 4.742 -2.148 1.00 0.00 C ATOM 1017 O GLU A 67 -5.870 4.742 -1.057 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.116 3.035 -3.809 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.017 2.721 -4.979 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.046 1.255 -5.316 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.092 0.732 -5.905 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.052 0.615 -5.047 1.00 0.00 O ATOM 0 H GLU A 67 -5.130 4.778 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.164 4.810 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.095 2.745 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.419 2.433 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.029 3.057 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.682 3.283 -5.851 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.030 4.972 -2.326 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.104 5.251 -1.235 1.00 0.00 C ATOM 1031 C PHE A 68 -3.130 6.734 -0.853 1.00 0.00 C ATOM 1032 O PHE A 68 -2.822 7.060 0.270 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.693 4.813 -1.665 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.639 4.867 -0.588 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.650 3.965 0.461 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.371 5.815 -0.636 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.323 4.007 1.441 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.344 5.864 0.342 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.320 4.961 1.380 1.00 0.00 C ATOM 0 H PHE A 68 -3.587 4.970 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.405 4.691 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.748 3.792 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.373 5.444 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.429 3.219 0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.397 6.525 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.304 3.295 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.123 6.610 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.080 4.998 2.146 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.512 7.624 -1.777 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.712 9.045 -1.447 1.00 0.00 C ATOM 1051 C VAL A 69 -4.913 9.193 -0.533 1.00 0.00 C ATOM 1052 O VAL A 69 -4.809 9.818 0.507 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.874 9.948 -2.712 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.290 11.375 -2.356 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.581 10.001 -3.499 1.00 0.00 C ATOM 0 H VAL A 69 -3.689 7.390 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.812 9.388 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.663 9.498 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.390 11.963 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.245 11.355 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.533 11.826 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.714 10.635 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.790 10.412 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.307 8.995 -3.817 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.023 8.550 -0.891 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.234 8.581 -0.068 1.00 0.00 C ATOM 1067 C GLN A 70 -7.087 7.743 1.205 1.00 0.00 C ATOM 1068 O GLN A 70 -7.819 7.946 2.151 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.455 8.118 -0.861 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.786 8.993 -2.064 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.044 10.463 -1.729 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -8.734 11.346 -2.526 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.651 10.742 -0.578 1.00 0.00 N ATOM 0 H GLN A 70 -6.110 8.000 -1.746 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.381 9.619 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.286 7.097 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.318 8.092 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.963 8.935 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.667 8.587 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.897 9.989 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.871 11.709 -0.338 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.144 6.800 1.194 1.00 0.00 N ATOM 1083 CA HIS A 71 -5.711 6.074 2.393 1.00 0.00 C ATOM 1084 C HIS A 71 -4.968 7.045 3.337 1.00 0.00 C ATOM 1085 O HIS A 71 -5.310 7.154 4.508 1.00 0.00 O ATOM 1086 CB HIS A 71 -4.835 4.864 1.924 1.00 0.00 C ATOM 1087 CG HIS A 71 -4.079 4.058 2.957 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -3.160 3.090 2.615 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.113 4.068 4.298 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -2.672 2.541 3.713 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -3.234 3.119 4.752 1.00 0.00 N ATOM 0 H HIS A 71 -5.654 6.515 0.346 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.552 5.679 2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.486 4.177 1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.107 5.244 1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.726 4.711 4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.936 1.751 3.751 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.047 2.898 5.730 1.00 0.00 H new ATOM 1100 N MET A 72 -4.007 7.777 2.785 1.00 0.00 N ATOM 1101 CA MET A 72 -3.086 8.619 3.555 1.00 0.00 C ATOM 1102 C MET A 72 -3.718 9.921 4.051 1.00 0.00 C ATOM 1103 O MET A 72 -3.275 10.478 5.052 1.00 0.00 O ATOM 1104 CB MET A 72 -1.865 8.920 2.692 1.00 0.00 C ATOM 1105 CG MET A 72 -0.874 7.770 2.630 1.00 0.00 C ATOM 1106 SD MET A 72 0.138 7.606 4.107 1.00 0.00 S ATOM 1107 CE MET A 72 1.438 8.777 3.733 1.00 0.00 C ATOM 0 H MET A 72 -3.840 7.806 1.779 1.00 0.00 H new ATOM 0 HA MET A 72 -2.805 8.065 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.194 9.162 1.681 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.361 9.804 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.420 6.840 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.222 7.910 1.768 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.226 8.697 4.481 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.850 8.561 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.031 9.788 3.742 1.00 0.00 H new ATOM 1117 N THR A 73 -4.748 10.401 3.358 1.00 0.00 N ATOM 1118 CA THR A 73 -5.436 11.630 3.752 1.00 0.00 C ATOM 1119 C THR A 73 -6.672 11.341 4.611 1.00 0.00 C ATOM 1120 O THR A 73 -7.278 12.264 5.160 1.00 0.00 O ATOM 1121 CB THR A 73 -5.849 12.480 2.528 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.598 11.686 1.599 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.628 13.077 1.834 1.00 0.00 C ATOM 0 H THR A 73 -5.125 9.958 2.520 1.00 0.00 H new ATOM 0 HA THR A 73 -4.720 12.199 4.346 1.00 0.00 H new ATOM 0 HB THR A 73 -6.474 13.298 2.886 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.996 11.060 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.950 13.669 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.087 13.715 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.974 12.274 1.495 1.00 0.00 H new ATOM 1131 N ALA A 74 -7.031 10.057 4.739 1.00 0.00 N ATOM 1132 CA ALA A 74 -8.177 9.650 5.549 1.00 0.00 C ATOM 1133 C ALA A 74 -7.799 9.539 7.023 1.00 0.00 C ATOM 1134 O ALA A 74 -6.626 9.674 7.390 1.00 0.00 O ATOM 1135 CB ALA A 74 -8.755 8.333 5.054 1.00 0.00 C ATOM 0 H ALA A 74 -6.541 9.284 4.289 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.940 10.422 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.606 8.053 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.081 8.444 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.993 7.556 5.113 1.00 0.00 H new ATOM 1141 N LYS A 75 -8.791 9.279 7.855 1.00 0.00 N ATOM 1142 CA LYS A 75 -8.625 9.308 9.298 1.00 0.00 C ATOM 1143 C LYS A 75 -9.422 8.183 9.961 1.00 0.00 C ATOM 1144 O LYS A 75 -9.706 7.162 9.335 1.00 0.00 O ATOM 1145 CB LYS A 75 -9.065 10.687 9.793 1.00 0.00 C ATOM 1146 CG LYS A 75 -9.268 10.821 11.295 1.00 0.00 C ATOM 1147 CD LYS A 75 -9.611 12.257 11.680 1.00 0.00 C ATOM 1148 CE LYS A 75 -10.798 12.801 10.890 1.00 0.00 C ATOM 1149 NZ LYS A 75 -11.121 14.195 11.267 1.00 0.00 N ATOM 0 H LYS A 75 -9.735 9.042 7.550 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.581 9.143 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.320 11.419 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.998 10.949 9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.068 10.154 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.363 10.508 11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.836 12.301 12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.742 12.893 11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.576 12.756 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.669 12.168 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.933 14.527 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.358 14.235 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.299 14.805 11.080 1.00 0.00 H new TER 1163 LYS A 75 HETATM 1164 CA CA A 76 4.292 -2.603 -6.525 1.00 0.00 CA HETATM 1165 CA CA A 77 -7.145 -1.214 -6.310 1.00 0.00 CA