USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 GLN : amide:sc= 0.51 K(o=1.1,f=-5.1!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -170:sc= 0.628 (180deg=-0.00318) USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0.949 K(o=2.3,f=-5.4!) USER MOD Set 2.2: A 85 TYR OH : rot 65:sc= 1.32 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.797 K(o=2.3,f=-2.2!) USER MOD Set 3.2: A 86 LYS NZ :NH3+ 163:sc= 1.5 (180deg=1.21) USER MOD Set 4.1: A 3 SER OG : rot -70:sc= 1.13 USER MOD Set 4.2: A 16 GLN : amide:sc= 1.64 K(o=2.8,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 2.48 (180deg=2.31) USER MOD Single : A 9 SER OG : rot 180:sc= 0.159 USER MOD Single : A 10 LYS NZ :NH3+ 172:sc=-0.00264 (180deg=-0.072) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0.281 (180deg=-0.0191) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.611 (180deg=0.338) USER MOD Single : A 32 THR OG1 : rot 179:sc= 0.855 USER MOD Single : A 34 THR OG1 : rot -81:sc= 1.37 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= 0.475 (180deg=0.42) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 50 SER OG : rot -33:sc= 1.08 USER MOD Single : A 51 ASN : amide:sc= 0.606 K(o=0.61,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0.86 (180deg=0.734) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.637 (180deg=0.627) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.263 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00348 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= 1.06 (180deg=0.55) USER MOD Single : A 98 SER OG : rot 115:sc= 1.03 USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= -0.125 (180deg=-0.135) USER MOD Single : A 108 LYS NZ :NH3+ -178:sc= 0.411 (180deg=0.406) USER MOD Single : A 109 HIS : no HD1:sc= 0.305 K(o=0.3,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.954 -10.830 3.891 1.00 0.00 N ATOM 2 CA GLY A 1 -1.787 -10.530 5.323 1.00 0.00 C ATOM 3 C GLY A 1 -0.337 -10.233 5.660 1.00 0.00 C ATOM 4 O GLY A 1 0.518 -10.362 4.786 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.938 -11.111 3.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.725 -9.985 3.330 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.317 -11.607 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.407 -9.675 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.135 -11.376 5.917 1.00 0.00 H new ATOM 10 N GLY A 2 -0.064 -9.837 6.908 1.00 0.00 N ATOM 11 CA GLY A 2 1.260 -9.419 7.348 1.00 0.00 C ATOM 12 C GLY A 2 1.552 -8.059 6.721 1.00 0.00 C ATOM 13 O GLY A 2 1.481 -7.024 7.380 1.00 0.00 O ATOM 0 H GLY A 2 -0.768 -9.799 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.298 -9.354 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.011 -10.148 7.045 1.00 0.00 H new ATOM 17 N SER A 3 1.795 -8.063 5.414 1.00 0.00 N ATOM 18 CA SER A 3 2.040 -6.895 4.594 1.00 0.00 C ATOM 19 C SER A 3 0.730 -6.146 4.317 1.00 0.00 C ATOM 20 O SER A 3 0.300 -6.027 3.170 1.00 0.00 O ATOM 21 CB SER A 3 2.693 -7.387 3.304 1.00 0.00 C ATOM 22 OG SER A 3 3.752 -8.275 3.616 1.00 0.00 O ATOM 0 H SER A 3 1.827 -8.929 4.876 1.00 0.00 H new ATOM 0 HA SER A 3 2.697 -6.188 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.955 -7.891 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.071 -6.541 2.730 1.00 0.00 H new ATOM 0 HG SER A 3 4.493 -7.773 4.015 1.00 0.00 H new ATOM 28 N VAL A 4 0.081 -5.675 5.382 1.00 0.00 N ATOM 29 CA VAL A 4 -1.150 -4.909 5.381 1.00 0.00 C ATOM 30 C VAL A 4 -0.993 -3.752 6.381 1.00 0.00 C ATOM 31 O VAL A 4 -1.957 -3.330 7.016 1.00 0.00 O ATOM 32 CB VAL A 4 -2.310 -5.847 5.766 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.775 -6.729 4.598 1.00 0.00 C ATOM 34 CG2 VAL A 4 -1.975 -6.711 6.984 1.00 0.00 C ATOM 0 H VAL A 4 0.430 -5.833 6.327 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.366 -4.490 4.398 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.139 -5.191 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.594 -7.368 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.116 -6.097 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.945 -7.349 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.823 -7.355 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.102 -7.325 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.762 -6.068 7.838 1.00 0.00 H new ATOM 44 N ILE A 5 0.243 -3.270 6.531 1.00 0.00 N ATOM 45 CA ILE A 5 0.643 -2.263 7.503 1.00 0.00 C ATOM 46 C ILE A 5 1.476 -1.165 6.833 1.00 0.00 C ATOM 47 O ILE A 5 1.654 -1.155 5.615 1.00 0.00 O ATOM 48 CB ILE A 5 1.433 -2.958 8.638 1.00 0.00 C ATOM 49 CG1 ILE A 5 2.701 -3.651 8.096 1.00 0.00 C ATOM 50 CG2 ILE A 5 0.525 -3.969 9.354 1.00 0.00 C ATOM 51 CD1 ILE A 5 3.563 -4.253 9.209 1.00 0.00 C ATOM 0 H ILE A 5 1.021 -3.587 5.952 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.240 -1.782 7.924 1.00 0.00 H new ATOM 0 HB ILE A 5 1.756 -2.199 9.351 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.411 -4.438 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.293 -2.929 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.083 -4.457 10.153 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.335 -3.450 9.777 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.182 -4.718 8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.442 -4.728 8.772 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.879 -3.464 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.983 -4.996 9.756 1.00 0.00 H new ATOM 63 N VAL A 6 2.022 -0.259 7.648 1.00 0.00 N ATOM 64 CA VAL A 6 2.867 0.831 7.196 1.00 0.00 C ATOM 65 C VAL A 6 4.260 0.260 6.940 1.00 0.00 C ATOM 66 O VAL A 6 4.897 -0.204 7.884 1.00 0.00 O ATOM 67 CB VAL A 6 2.937 1.929 8.281 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.569 3.204 7.705 1.00 0.00 C ATOM 69 CG2 VAL A 6 1.568 2.251 8.898 1.00 0.00 C ATOM 0 H VAL A 6 1.882 -0.269 8.658 1.00 0.00 H new ATOM 0 HA VAL A 6 2.464 1.276 6.287 1.00 0.00 H new ATOM 0 HB VAL A 6 3.561 1.537 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.613 3.970 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.578 2.984 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.966 3.564 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.683 3.029 9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.890 2.599 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.158 1.354 9.361 1.00 0.00 H new ATOM 79 N ILE A 7 4.742 0.268 5.692 1.00 0.00 N ATOM 80 CA ILE A 7 6.091 -0.200 5.416 1.00 0.00 C ATOM 81 C ILE A 7 6.595 0.448 4.128 1.00 0.00 C ATOM 82 O ILE A 7 6.274 0.037 3.017 1.00 0.00 O ATOM 83 CB ILE A 7 6.177 -1.742 5.424 1.00 0.00 C ATOM 84 CG1 ILE A 7 7.659 -2.168 5.395 1.00 0.00 C ATOM 85 CG2 ILE A 7 5.410 -2.416 4.274 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.293 -2.083 6.789 1.00 0.00 C ATOM 0 H ILE A 7 4.223 0.589 4.875 1.00 0.00 H new ATOM 0 HA ILE A 7 6.761 0.112 6.217 1.00 0.00 H new ATOM 0 HB ILE A 7 5.694 -2.079 6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.739 -3.188 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.209 -1.530 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.519 -3.498 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.354 -2.152 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.813 -2.076 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.337 -2.390 6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.235 -1.057 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.757 -2.741 7.473 1.00 0.00 H new ATOM 98 N ASP A 8 7.397 1.495 4.305 1.00 0.00 N ATOM 99 CA ASP A 8 8.022 2.250 3.237 1.00 0.00 C ATOM 100 C ASP A 8 9.397 1.664 2.929 1.00 0.00 C ATOM 101 O ASP A 8 9.767 1.519 1.767 1.00 0.00 O ATOM 102 CB ASP A 8 8.107 3.728 3.655 1.00 0.00 C ATOM 103 CG ASP A 8 8.987 3.965 4.881 1.00 0.00 C ATOM 104 OD1 ASP A 8 8.859 3.164 5.834 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.773 4.935 4.839 1.00 0.00 O ATOM 0 H ASP A 8 7.634 1.849 5.232 1.00 0.00 H new ATOM 0 HA ASP A 8 7.428 2.187 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.496 4.312 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.102 4.097 3.862 1.00 0.00 H new ATOM 110 N SER A 9 10.133 1.327 3.988 1.00 0.00 N ATOM 111 CA SER A 9 11.491 0.824 3.998 1.00 0.00 C ATOM 112 C SER A 9 11.868 -0.046 2.796 1.00 0.00 C ATOM 113 O SER A 9 11.408 -1.180 2.675 1.00 0.00 O ATOM 114 CB SER A 9 11.683 0.051 5.302 1.00 0.00 C ATOM 115 OG SER A 9 11.117 0.797 6.364 1.00 0.00 O ATOM 0 H SER A 9 9.757 1.408 4.933 1.00 0.00 H new ATOM 0 HA SER A 9 12.159 1.682 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.208 -0.928 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.744 -0.121 5.486 1.00 0.00 H new ATOM 0 HG SER A 9 11.234 0.308 7.205 1.00 0.00 H new ATOM 121 N LYS A 10 12.783 0.448 1.956 1.00 0.00 N ATOM 122 CA LYS A 10 13.291 -0.267 0.790 1.00 0.00 C ATOM 123 C LYS A 10 13.817 -1.649 1.194 1.00 0.00 C ATOM 124 O LYS A 10 13.584 -2.639 0.507 1.00 0.00 O ATOM 125 CB LYS A 10 14.379 0.596 0.136 1.00 0.00 C ATOM 126 CG LYS A 10 14.786 0.132 -1.273 1.00 0.00 C ATOM 127 CD LYS A 10 15.931 -0.893 -1.260 1.00 0.00 C ATOM 128 CE LYS A 10 16.264 -1.394 -2.672 1.00 0.00 C ATOM 129 NZ LYS A 10 16.743 -0.312 -3.550 1.00 0.00 N ATOM 0 H LYS A 10 13.196 1.373 2.073 1.00 0.00 H new ATOM 0 HA LYS A 10 12.493 -0.438 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.026 1.626 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.261 0.596 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.920 -0.305 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.088 0.998 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.818 -0.441 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.655 -1.739 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.025 -2.172 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.377 -1.850 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.082 -0.717 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.964 0.350 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.521 0.196 -3.083 1.00 0.00 H new ATOM 143 N ALA A 11 14.513 -1.720 2.332 1.00 0.00 N ATOM 144 CA ALA A 11 15.046 -2.973 2.860 1.00 0.00 C ATOM 145 C ALA A 11 13.934 -3.996 3.139 1.00 0.00 C ATOM 146 O ALA A 11 14.199 -5.194 3.173 1.00 0.00 O ATOM 147 CB ALA A 11 15.827 -2.679 4.143 1.00 0.00 C ATOM 0 H ALA A 11 14.722 -0.907 2.912 1.00 0.00 H new ATOM 0 HA ALA A 11 15.705 -3.411 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.229 -3.609 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.646 -1.995 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.162 -2.224 4.877 1.00 0.00 H new ATOM 153 N ALA A 12 12.706 -3.526 3.380 1.00 0.00 N ATOM 154 CA ALA A 12 11.549 -4.365 3.642 1.00 0.00 C ATOM 155 C ALA A 12 10.736 -4.587 2.366 1.00 0.00 C ATOM 156 O ALA A 12 10.104 -5.629 2.241 1.00 0.00 O ATOM 157 CB ALA A 12 10.677 -3.709 4.712 1.00 0.00 C ATOM 0 H ALA A 12 12.492 -2.529 3.397 1.00 0.00 H new ATOM 0 HA ALA A 12 11.894 -5.336 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.809 -4.338 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.254 -3.589 5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.345 -2.731 4.362 1.00 0.00 H new ATOM 163 N TRP A 13 10.712 -3.613 1.447 1.00 0.00 N ATOM 164 CA TRP A 13 9.975 -3.655 0.185 1.00 0.00 C ATOM 165 C TRP A 13 10.162 -4.989 -0.550 1.00 0.00 C ATOM 166 O TRP A 13 9.190 -5.687 -0.841 1.00 0.00 O ATOM 167 CB TRP A 13 10.438 -2.476 -0.689 1.00 0.00 C ATOM 168 CG TRP A 13 10.069 -2.497 -2.143 1.00 0.00 C ATOM 169 CD1 TRP A 13 10.808 -3.065 -3.122 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.938 -1.873 -2.821 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.202 -2.886 -4.344 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.051 -2.141 -4.218 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.841 -1.088 -2.409 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.121 -1.672 -5.154 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.919 -0.586 -3.347 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.048 -0.885 -4.714 1.00 0.00 C ATOM 0 H TRP A 13 11.227 -2.741 1.571 1.00 0.00 H new ATOM 0 HA TRP A 13 8.909 -3.569 0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.038 -1.560 -0.255 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.524 -2.414 -0.620 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.742 -3.585 -2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.558 -3.256 -5.226 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.707 -0.869 -1.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.229 -1.914 -6.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.103 0.037 -3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.324 -0.510 -5.422 1.00 0.00 H new ATOM 187 N ASP A 14 11.406 -5.353 -0.868 1.00 0.00 N ATOM 188 CA ASP A 14 11.659 -6.579 -1.619 1.00 0.00 C ATOM 189 C ASP A 14 11.274 -7.804 -0.802 1.00 0.00 C ATOM 190 O ASP A 14 10.650 -8.731 -1.308 1.00 0.00 O ATOM 191 CB ASP A 14 13.115 -6.673 -2.055 1.00 0.00 C ATOM 192 CG ASP A 14 14.111 -6.915 -0.925 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.931 -6.267 0.129 1.00 0.00 O ATOM 194 OD2 ASP A 14 15.017 -7.748 -1.132 1.00 0.00 O ATOM 0 H ASP A 14 12.242 -4.823 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 14 11.039 -6.548 -2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.210 -7.480 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.386 -5.749 -2.567 1.00 0.00 H new ATOM 199 N ALA A 15 11.665 -7.803 0.466 1.00 0.00 N ATOM 200 CA ALA A 15 11.308 -8.867 1.398 1.00 0.00 C ATOM 201 C ALA A 15 9.789 -9.083 1.359 1.00 0.00 C ATOM 202 O ALA A 15 9.324 -10.219 1.313 1.00 0.00 O ATOM 203 CB ALA A 15 11.796 -8.524 2.807 1.00 0.00 C ATOM 0 H ALA A 15 12.238 -7.066 0.878 1.00 0.00 H new ATOM 0 HA ALA A 15 11.795 -9.797 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.523 -9.327 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.880 -8.407 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.334 -7.593 3.136 1.00 0.00 H new ATOM 209 N GLN A 16 9.032 -7.982 1.335 1.00 0.00 N ATOM 210 CA GLN A 16 7.579 -7.945 1.225 1.00 0.00 C ATOM 211 C GLN A 16 7.159 -8.627 -0.076 1.00 0.00 C ATOM 212 O GLN A 16 6.369 -9.568 -0.056 1.00 0.00 O ATOM 213 CB GLN A 16 7.088 -6.482 1.266 1.00 0.00 C ATOM 214 CG GLN A 16 6.159 -6.190 2.445 1.00 0.00 C ATOM 215 CD GLN A 16 6.725 -6.566 3.813 1.00 0.00 C ATOM 216 OE1 GLN A 16 5.976 -7.001 4.684 1.00 0.00 O ATOM 217 NE2 GLN A 16 8.030 -6.425 4.023 1.00 0.00 N ATOM 0 H GLN A 16 9.440 -7.049 1.395 1.00 0.00 H new ATOM 0 HA GLN A 16 7.128 -8.477 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.951 -5.818 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.567 -6.255 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.919 -5.127 2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.223 -6.728 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.629 -6.061 3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.432 -6.681 4.925 1.00 0.00 H new ATOM 226 N LEU A 17 7.689 -8.148 -1.204 1.00 0.00 N ATOM 227 CA LEU A 17 7.430 -8.721 -2.521 1.00 0.00 C ATOM 228 C LEU A 17 7.644 -10.241 -2.497 1.00 0.00 C ATOM 229 O LEU A 17 6.807 -10.997 -2.989 1.00 0.00 O ATOM 230 CB LEU A 17 8.332 -8.025 -3.560 1.00 0.00 C ATOM 231 CG LEU A 17 7.887 -6.596 -3.931 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.849 -6.032 -4.982 1.00 0.00 C ATOM 233 CD2 LEU A 17 6.462 -6.522 -4.492 1.00 0.00 C ATOM 0 H LEU A 17 8.316 -7.344 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 17 6.391 -8.553 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.350 -7.987 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.358 -8.631 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 17 7.902 -6.016 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.542 -5.021 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.860 -6.008 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.830 -6.665 -5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.218 -5.487 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.395 -7.128 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.759 -6.899 -3.749 1.00 0.00 H new ATOM 245 N ALA A 18 8.744 -10.696 -1.896 1.00 0.00 N ATOM 246 CA ALA A 18 9.074 -12.108 -1.807 1.00 0.00 C ATOM 247 C ALA A 18 8.065 -12.870 -0.937 1.00 0.00 C ATOM 248 O ALA A 18 7.365 -13.748 -1.441 1.00 0.00 O ATOM 249 CB ALA A 18 10.500 -12.257 -1.272 1.00 0.00 C ATOM 0 H ALA A 18 9.432 -10.086 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 18 9.019 -12.548 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.754 -13.315 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.196 -11.760 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.567 -11.802 -0.284 1.00 0.00 H new ATOM 255 N LYS A 19 7.971 -12.547 0.361 1.00 0.00 N ATOM 256 CA LYS A 19 7.090 -13.262 1.282 1.00 0.00 C ATOM 257 C LYS A 19 5.639 -13.221 0.799 1.00 0.00 C ATOM 258 O LYS A 19 4.878 -14.161 1.016 1.00 0.00 O ATOM 259 CB LYS A 19 7.232 -12.697 2.705 1.00 0.00 C ATOM 260 CG LYS A 19 6.674 -11.278 2.850 1.00 0.00 C ATOM 261 CD LYS A 19 7.029 -10.623 4.191 1.00 0.00 C ATOM 262 CE LYS A 19 6.395 -11.353 5.378 1.00 0.00 C ATOM 263 NZ LYS A 19 6.600 -10.606 6.632 1.00 0.00 N ATOM 0 H LYS A 19 8.500 -11.790 0.794 1.00 0.00 H new ATOM 0 HA LYS A 19 7.390 -14.310 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.717 -13.356 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.285 -12.697 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.057 -10.659 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.590 -11.308 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.112 -10.610 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.696 -9.585 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.328 -11.485 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.828 -12.349 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.160 -11.123 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.619 -10.502 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.165 -9.665 6.550 1.00 0.00 H new ATOM 277 N GLY A 20 5.261 -12.129 0.130 1.00 0.00 N ATOM 278 CA GLY A 20 3.934 -11.942 -0.415 1.00 0.00 C ATOM 279 C GLY A 20 3.557 -13.003 -1.448 1.00 0.00 C ATOM 280 O GLY A 20 2.367 -13.178 -1.689 1.00 0.00 O ATOM 0 H GLY A 20 5.886 -11.343 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.208 -11.960 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.872 -10.956 -0.876 1.00 0.00 H new ATOM 284 N LYS A 21 4.530 -13.709 -2.048 1.00 0.00 N ATOM 285 CA LYS A 21 4.277 -14.696 -3.096 1.00 0.00 C ATOM 286 C LYS A 21 3.573 -13.957 -4.238 1.00 0.00 C ATOM 287 O LYS A 21 2.380 -14.132 -4.490 1.00 0.00 O ATOM 288 CB LYS A 21 3.490 -15.895 -2.543 1.00 0.00 C ATOM 289 CG LYS A 21 4.347 -16.693 -1.548 1.00 0.00 C ATOM 290 CD LYS A 21 3.493 -17.674 -0.731 1.00 0.00 C ATOM 291 CE LYS A 21 3.096 -17.107 0.640 1.00 0.00 C ATOM 292 NZ LYS A 21 2.486 -15.769 0.549 1.00 0.00 N ATOM 0 H LYS A 21 5.517 -13.606 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 21 5.200 -15.132 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.583 -15.545 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.179 -16.542 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.118 -17.243 -2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.859 -16.006 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.592 -17.922 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.046 -18.602 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.395 -17.789 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.979 -17.056 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.027 -15.535 1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.223 -15.065 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.777 -15.762 -0.212 1.00 0.00 H new ATOM 306 N GLU A 22 4.359 -13.097 -4.896 1.00 0.00 N ATOM 307 CA GLU A 22 3.992 -12.154 -5.940 1.00 0.00 C ATOM 308 C GLU A 22 3.594 -12.842 -7.245 1.00 0.00 C ATOM 309 O GLU A 22 4.220 -12.666 -8.287 1.00 0.00 O ATOM 310 CB GLU A 22 5.182 -11.191 -6.135 1.00 0.00 C ATOM 311 CG GLU A 22 4.862 -9.924 -6.944 1.00 0.00 C ATOM 312 CD GLU A 22 6.115 -9.141 -7.328 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.174 -9.403 -6.716 1.00 0.00 O ATOM 314 OE2 GLU A 22 5.992 -8.276 -8.223 1.00 0.00 O ATOM 0 H GLU A 22 5.356 -13.045 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 22 3.104 -11.601 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.555 -10.894 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.988 -11.729 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.320 -10.202 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.201 -9.282 -6.361 1.00 0.00 H new ATOM 321 N GLU A 23 2.523 -13.623 -7.161 1.00 0.00 N ATOM 322 CA GLU A 23 1.904 -14.300 -8.278 1.00 0.00 C ATOM 323 C GLU A 23 0.487 -13.741 -8.425 1.00 0.00 C ATOM 324 O GLU A 23 0.295 -12.695 -9.043 1.00 0.00 O ATOM 325 CB GLU A 23 1.945 -15.825 -8.061 1.00 0.00 C ATOM 326 CG GLU A 23 3.377 -16.382 -8.135 1.00 0.00 C ATOM 327 CD GLU A 23 4.155 -16.198 -6.834 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.715 -16.795 -5.828 1.00 0.00 O ATOM 329 OE2 GLU A 23 5.175 -15.477 -6.860 1.00 0.00 O ATOM 0 H GLU A 23 2.049 -13.804 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 23 2.441 -14.122 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.513 -16.064 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.327 -16.315 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.336 -17.443 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.912 -15.887 -8.945 1.00 0.00 H new ATOM 336 N HIS A 24 -0.498 -14.394 -7.802 1.00 0.00 N ATOM 337 CA HIS A 24 -1.905 -14.031 -7.903 1.00 0.00 C ATOM 338 C HIS A 24 -2.392 -13.548 -6.545 1.00 0.00 C ATOM 339 O HIS A 24 -3.120 -14.244 -5.840 1.00 0.00 O ATOM 340 CB HIS A 24 -2.724 -15.222 -8.418 1.00 0.00 C ATOM 341 CG HIS A 24 -4.146 -14.872 -8.810 1.00 0.00 C ATOM 342 ND1 HIS A 24 -4.674 -15.312 -10.023 1.00 0.00 N ATOM 343 CD2 HIS A 24 -5.113 -14.151 -8.151 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.930 -14.859 -10.044 1.00 0.00 C ATOM 345 NE2 HIS A 24 -6.248 -14.179 -8.934 1.00 0.00 N ATOM 0 H HIS A 24 -0.332 -15.203 -7.204 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.033 -13.220 -8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.216 -15.652 -9.281 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.750 -15.992 -7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.004 -13.655 -7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.613 -15.022 -10.864 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.153 -13.763 -8.712 1.00 0.00 H new ATOM 353 N LYS A 25 -1.968 -12.343 -6.178 1.00 0.00 N ATOM 354 CA LYS A 25 -2.424 -11.631 -4.999 1.00 0.00 C ATOM 355 C LYS A 25 -2.548 -10.177 -5.448 1.00 0.00 C ATOM 356 O LYS A 25 -1.810 -9.775 -6.345 1.00 0.00 O ATOM 357 CB LYS A 25 -1.406 -11.675 -3.844 1.00 0.00 C ATOM 358 CG LYS A 25 -0.655 -12.991 -3.623 1.00 0.00 C ATOM 359 CD LYS A 25 -1.533 -14.034 -2.932 1.00 0.00 C ATOM 360 CE LYS A 25 -0.727 -15.283 -2.572 1.00 0.00 C ATOM 361 NZ LYS A 25 0.022 -15.824 -3.722 1.00 0.00 N ATOM 0 H LYS A 25 -1.274 -11.822 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.347 -12.078 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.669 -10.890 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.931 -11.426 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.314 -13.381 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.234 -12.806 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.969 -13.606 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.361 -14.308 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.030 -15.043 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.402 -16.049 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.369 -16.777 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.603 -15.874 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.829 -15.203 -3.934 1.00 0.00 H new ATOM 375 N PRO A 26 -3.445 -9.367 -4.886 1.00 0.00 N ATOM 376 CA PRO A 26 -3.411 -7.943 -5.117 1.00 0.00 C ATOM 377 C PRO A 26 -2.205 -7.404 -4.347 1.00 0.00 C ATOM 378 O PRO A 26 -2.330 -7.033 -3.179 1.00 0.00 O ATOM 379 CB PRO A 26 -4.753 -7.401 -4.616 1.00 0.00 C ATOM 380 CG PRO A 26 -5.153 -8.428 -3.558 1.00 0.00 C ATOM 381 CD PRO A 26 -4.615 -9.742 -4.129 1.00 0.00 C ATOM 0 HA PRO A 26 -3.294 -7.648 -6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.654 -6.401 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.489 -7.337 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.712 -8.200 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.233 -8.462 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.363 -10.444 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.356 -10.230 -4.763 1.00 0.00 H new ATOM 389 N ILE A 27 -1.026 -7.434 -4.980 1.00 0.00 N ATOM 390 CA ILE A 27 0.174 -6.826 -4.431 1.00 0.00 C ATOM 391 C ILE A 27 0.012 -5.363 -4.822 1.00 0.00 C ATOM 392 O ILE A 27 0.537 -4.930 -5.849 1.00 0.00 O ATOM 393 CB ILE A 27 1.459 -7.471 -4.992 1.00 0.00 C ATOM 394 CG1 ILE A 27 1.481 -8.986 -4.712 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.693 -6.835 -4.339 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.186 -9.801 -5.974 1.00 0.00 C ATOM 0 H ILE A 27 -0.886 -7.882 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 27 0.281 -6.960 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 27 1.474 -7.304 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.457 -9.269 -4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.745 -9.225 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.595 -7.296 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.706 -5.766 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.655 -6.991 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.211 -10.864 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.199 -9.538 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.938 -9.582 -6.732 1.00 0.00 H new ATOM 408 N VAL A 28 -0.810 -4.646 -4.054 1.00 0.00 N ATOM 409 CA VAL A 28 -1.170 -3.272 -4.335 1.00 0.00 C ATOM 410 C VAL A 28 -0.253 -2.386 -3.514 1.00 0.00 C ATOM 411 O VAL A 28 0.017 -2.686 -2.353 1.00 0.00 O ATOM 412 CB VAL A 28 -2.661 -3.013 -4.031 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.057 -3.187 -2.562 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.075 -1.636 -4.569 1.00 0.00 C ATOM 0 H VAL A 28 -1.246 -5.017 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.042 -3.048 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.216 -3.793 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.122 -2.984 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.845 -4.209 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.486 -2.492 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.128 -1.462 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.472 -0.863 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.918 -1.605 -5.647 1.00 0.00 H new ATOM 424 N VAL A 29 0.245 -1.307 -4.110 1.00 0.00 N ATOM 425 CA VAL A 29 1.062 -0.340 -3.396 1.00 0.00 C ATOM 426 C VAL A 29 0.292 0.968 -3.295 1.00 0.00 C ATOM 427 O VAL A 29 -0.505 1.279 -4.177 1.00 0.00 O ATOM 428 CB VAL A 29 2.433 -0.182 -4.074 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.314 0.274 -5.525 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.349 0.795 -3.330 1.00 0.00 C ATOM 0 H VAL A 29 0.094 -1.082 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 29 1.269 -0.688 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 29 2.877 -1.177 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.309 0.371 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.741 -0.460 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.807 1.238 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.303 0.868 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.879 1.778 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.517 0.435 -2.315 1.00 0.00 H new ATOM 440 N ASP A 30 0.507 1.689 -2.196 1.00 0.00 N ATOM 441 CA ASP A 30 -0.004 3.028 -1.968 1.00 0.00 C ATOM 442 C ASP A 30 1.221 3.909 -1.834 1.00 0.00 C ATOM 443 O ASP A 30 1.983 3.721 -0.888 1.00 0.00 O ATOM 444 CB ASP A 30 -0.842 3.097 -0.682 1.00 0.00 C ATOM 445 CG ASP A 30 -0.963 4.516 -0.117 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.050 5.469 -0.921 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.960 4.632 1.127 1.00 0.00 O ATOM 0 H ASP A 30 1.062 1.339 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.657 3.342 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.840 2.707 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.394 2.450 0.072 1.00 0.00 H new ATOM 452 N PHE A 31 1.427 4.819 -2.784 1.00 0.00 N ATOM 453 CA PHE A 31 2.493 5.794 -2.725 1.00 0.00 C ATOM 454 C PHE A 31 1.828 7.167 -2.608 1.00 0.00 C ATOM 455 O PHE A 31 1.186 7.613 -3.559 1.00 0.00 O ATOM 456 CB PHE A 31 3.338 5.744 -4.001 1.00 0.00 C ATOM 457 CG PHE A 31 4.134 4.482 -4.265 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.381 4.315 -3.636 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.795 3.665 -5.360 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.300 3.369 -4.125 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.730 2.751 -5.876 1.00 0.00 C ATOM 462 CZ PHE A 31 5.991 2.616 -5.270 1.00 0.00 C ATOM 0 H PHE A 31 0.848 4.894 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 31 3.150 5.592 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.674 5.907 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.035 6.582 -3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.634 4.915 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.814 3.741 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.243 3.222 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.479 2.152 -6.739 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.720 1.935 -5.683 1.00 0.00 H new ATOM 472 N THR A 32 1.973 7.836 -1.462 1.00 0.00 N ATOM 473 CA THR A 32 1.441 9.177 -1.249 1.00 0.00 C ATOM 474 C THR A 32 2.434 9.976 -0.399 1.00 0.00 C ATOM 475 O THR A 32 3.485 9.453 -0.022 1.00 0.00 O ATOM 476 CB THR A 32 0.025 9.100 -0.645 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.514 10.406 -0.589 1.00 0.00 O ATOM 478 CG2 THR A 32 0.014 8.489 0.759 1.00 0.00 C ATOM 0 H THR A 32 2.466 7.457 -0.653 1.00 0.00 H new ATOM 0 HA THR A 32 1.330 9.706 -2.195 1.00 0.00 H new ATOM 0 HB THR A 32 -0.574 8.451 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.425 10.369 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.009 8.460 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.415 7.476 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.628 9.096 1.425 1.00 0.00 H new ATOM 486 N ALA A 33 2.107 11.240 -0.127 1.00 0.00 N ATOM 487 CA ALA A 33 2.937 12.194 0.602 1.00 0.00 C ATOM 488 C ALA A 33 2.220 12.689 1.858 1.00 0.00 C ATOM 489 O ALA A 33 1.037 12.418 2.038 1.00 0.00 O ATOM 490 CB ALA A 33 3.264 13.368 -0.323 1.00 0.00 C ATOM 0 H ALA A 33 1.217 11.642 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 33 3.858 11.705 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.884 14.089 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.802 13.003 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.339 13.850 -0.640 1.00 0.00 H new ATOM 496 N THR A 34 2.945 13.416 2.714 1.00 0.00 N ATOM 497 CA THR A 34 2.481 13.952 3.989 1.00 0.00 C ATOM 498 C THR A 34 2.040 15.410 3.835 1.00 0.00 C ATOM 499 O THR A 34 0.863 15.730 3.982 1.00 0.00 O ATOM 500 CB THR A 34 3.619 13.842 5.019 1.00 0.00 C ATOM 501 OG1 THR A 34 4.791 14.482 4.544 1.00 0.00 O ATOM 502 CG2 THR A 34 3.960 12.380 5.310 1.00 0.00 C ATOM 0 H THR A 34 3.918 13.656 2.523 1.00 0.00 H new ATOM 0 HA THR A 34 1.620 13.378 4.331 1.00 0.00 H new ATOM 0 HB THR A 34 3.271 14.327 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.268 13.880 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.767 12.333 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.081 11.873 5.708 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.276 11.890 4.389 1.00 0.00 H new ATOM 510 N TRP A 35 3.008 16.285 3.542 1.00 0.00 N ATOM 511 CA TRP A 35 2.879 17.732 3.372 1.00 0.00 C ATOM 512 C TRP A 35 1.645 18.136 2.555 1.00 0.00 C ATOM 513 O TRP A 35 1.063 19.191 2.789 1.00 0.00 O ATOM 514 CB TRP A 35 4.163 18.261 2.717 1.00 0.00 C ATOM 515 CG TRP A 35 4.574 17.583 1.442 1.00 0.00 C ATOM 516 CD1 TRP A 35 5.465 16.570 1.345 1.00 0.00 C ATOM 517 CD2 TRP A 35 4.097 17.820 0.082 1.00 0.00 C ATOM 518 NE1 TRP A 35 5.543 16.140 0.040 1.00 0.00 N ATOM 519 CE2 TRP A 35 4.717 16.872 -0.785 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.188 18.726 -0.509 1.00 0.00 C ATOM 521 CZ2 TRP A 35 4.436 16.810 -2.157 1.00 0.00 C ATOM 522 CZ3 TRP A 35 2.897 18.671 -1.885 1.00 0.00 C ATOM 523 CH2 TRP A 35 3.518 17.717 -2.709 1.00 0.00 C ATOM 0 H TRP A 35 3.971 15.976 3.408 1.00 0.00 H new ATOM 0 HA TRP A 35 2.739 18.178 4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.034 19.324 2.515 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.979 18.169 3.434 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.031 16.160 2.169 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.138 15.375 -0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.708 19.473 0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 4.920 16.074 -2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.190 19.368 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.290 17.682 -3.764 1.00 0.00 H new ATOM 534 N CYS A 36 1.250 17.298 1.595 1.00 0.00 N ATOM 535 CA CYS A 36 0.082 17.504 0.750 1.00 0.00 C ATOM 536 C CYS A 36 -1.222 17.632 1.547 1.00 0.00 C ATOM 537 O CYS A 36 -2.210 18.122 1.008 1.00 0.00 O ATOM 538 CB CYS A 36 -0.054 16.317 -0.199 1.00 0.00 C ATOM 539 SG CYS A 36 -0.507 14.805 0.674 1.00 0.00 S ATOM 0 H CYS A 36 1.750 16.435 1.381 1.00 0.00 H new ATOM 0 HA CYS A 36 0.236 18.441 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.808 16.540 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.888 16.164 -0.726 1.00 0.00 H new ATOM 544 N GLY A 37 -1.260 17.168 2.799 1.00 0.00 N ATOM 545 CA GLY A 37 -2.437 17.244 3.648 1.00 0.00 C ATOM 546 C GLY A 37 -3.448 16.168 3.242 1.00 0.00 C ATOM 547 O GLY A 37 -3.147 14.988 3.416 1.00 0.00 O ATOM 0 H GLY A 37 -0.460 16.724 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.152 17.111 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.892 18.231 3.565 1.00 0.00 H new ATOM 551 N PRO A 38 -4.633 16.524 2.709 1.00 0.00 N ATOM 552 CA PRO A 38 -5.674 15.580 2.315 1.00 0.00 C ATOM 553 C PRO A 38 -5.177 14.325 1.596 1.00 0.00 C ATOM 554 O PRO A 38 -5.630 13.225 1.897 1.00 0.00 O ATOM 555 CB PRO A 38 -6.637 16.385 1.443 1.00 0.00 C ATOM 556 CG PRO A 38 -6.585 17.760 2.104 1.00 0.00 C ATOM 557 CD PRO A 38 -5.115 17.886 2.512 1.00 0.00 C ATOM 0 HA PRO A 38 -6.147 15.171 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.314 16.419 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.643 15.966 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.883 18.551 1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.250 17.820 2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.538 18.396 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.013 18.472 3.425 1.00 0.00 H new ATOM 565 N CYS A 39 -4.234 14.473 0.665 1.00 0.00 N ATOM 566 CA CYS A 39 -3.719 13.347 -0.114 1.00 0.00 C ATOM 567 C CYS A 39 -3.116 12.246 0.780 1.00 0.00 C ATOM 568 O CYS A 39 -3.055 11.086 0.371 1.00 0.00 O ATOM 569 CB CYS A 39 -2.723 13.842 -1.174 1.00 0.00 C ATOM 570 SG CYS A 39 -0.981 13.491 -0.849 1.00 0.00 S ATOM 0 H CYS A 39 -3.808 15.370 0.431 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.560 12.885 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.991 13.396 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.842 14.920 -1.280 1.00 0.00 H new ATOM 575 N LYS A 40 -2.692 12.577 2.005 1.00 0.00 N ATOM 576 CA LYS A 40 -2.169 11.587 2.934 1.00 0.00 C ATOM 577 C LYS A 40 -3.298 10.689 3.447 1.00 0.00 C ATOM 578 O LYS A 40 -3.071 9.510 3.710 1.00 0.00 O ATOM 579 CB LYS A 40 -1.475 12.286 4.116 1.00 0.00 C ATOM 580 CG LYS A 40 -0.817 11.325 5.127 1.00 0.00 C ATOM 581 CD LYS A 40 0.247 10.409 4.501 1.00 0.00 C ATOM 582 CE LYS A 40 0.929 9.530 5.551 1.00 0.00 C ATOM 583 NZ LYS A 40 2.008 8.722 4.951 1.00 0.00 N ATOM 0 H LYS A 40 -2.704 13.529 2.371 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.440 10.969 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.713 12.961 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.207 12.900 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.358 11.909 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.590 10.709 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.217 9.777 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.996 11.016 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.338 10.157 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.192 8.872 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.315 7.995 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.658 8.263 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.812 9.337 4.715 1.00 0.00 H new ATOM 597 N MET A 41 -4.520 11.221 3.570 1.00 0.00 N ATOM 598 CA MET A 41 -5.662 10.526 4.164 1.00 0.00 C ATOM 599 C MET A 41 -6.035 9.254 3.399 1.00 0.00 C ATOM 600 O MET A 41 -6.709 8.378 3.939 1.00 0.00 O ATOM 601 CB MET A 41 -6.866 11.474 4.260 1.00 0.00 C ATOM 602 CG MET A 41 -6.547 12.745 5.061 1.00 0.00 C ATOM 603 SD MET A 41 -6.028 12.480 6.776 1.00 0.00 S ATOM 604 CE MET A 41 -5.530 14.162 7.202 1.00 0.00 C ATOM 0 H MET A 41 -4.744 12.164 3.253 1.00 0.00 H new ATOM 0 HA MET A 41 -5.368 10.215 5.167 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.188 11.751 3.256 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.700 10.952 4.729 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.759 13.292 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.430 13.383 5.062 1.00 0.00 H new ATOM 0 HE1 MET A 41 -5.179 14.187 8.234 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.728 14.483 6.538 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.382 14.833 7.092 1.00 0.00 H new ATOM 614 N ILE A 42 -5.584 9.122 2.152 1.00 0.00 N ATOM 615 CA ILE A 42 -5.805 7.910 1.384 1.00 0.00 C ATOM 616 C ILE A 42 -5.100 6.734 2.076 1.00 0.00 C ATOM 617 O ILE A 42 -5.582 5.603 2.030 1.00 0.00 O ATOM 618 CB ILE A 42 -5.265 8.091 -0.042 1.00 0.00 C ATOM 619 CG1 ILE A 42 -5.867 9.320 -0.746 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.600 6.822 -0.838 1.00 0.00 C ATOM 621 CD1 ILE A 42 -5.007 9.723 -1.946 1.00 0.00 C ATOM 0 H ILE A 42 -5.063 9.845 1.656 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.874 7.702 1.328 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.189 8.255 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.882 9.097 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.936 10.151 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.227 6.923 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.130 5.960 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.681 6.680 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.447 10.594 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.000 9.967 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.961 8.896 -2.655 1.00 0.00 H new ATOM 633 N ALA A 43 -3.958 6.999 2.717 1.00 0.00 N ATOM 634 CA ALA A 43 -3.159 5.984 3.381 1.00 0.00 C ATOM 635 C ALA A 43 -3.965 5.216 4.445 1.00 0.00 C ATOM 636 O ALA A 43 -4.109 4.005 4.293 1.00 0.00 O ATOM 637 CB ALA A 43 -1.873 6.611 3.932 1.00 0.00 C ATOM 0 H ALA A 43 -3.564 7.937 2.786 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.869 5.231 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.278 5.844 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.298 7.042 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.127 7.393 4.647 1.00 0.00 H new ATOM 643 N PRO A 44 -4.499 5.836 5.516 1.00 0.00 N ATOM 644 CA PRO A 44 -5.281 5.112 6.512 1.00 0.00 C ATOM 645 C PRO A 44 -6.479 4.391 5.888 1.00 0.00 C ATOM 646 O PRO A 44 -6.817 3.291 6.312 1.00 0.00 O ATOM 647 CB PRO A 44 -5.696 6.136 7.574 1.00 0.00 C ATOM 648 CG PRO A 44 -5.540 7.482 6.872 1.00 0.00 C ATOM 649 CD PRO A 44 -4.377 7.227 5.915 1.00 0.00 C ATOM 0 HA PRO A 44 -4.689 4.318 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.722 5.975 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.063 6.072 8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.447 7.769 6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.317 8.283 7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.428 7.889 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.420 7.413 6.403 1.00 0.00 H new ATOM 657 N LEU A 45 -7.116 4.980 4.875 1.00 0.00 N ATOM 658 CA LEU A 45 -8.224 4.341 4.165 1.00 0.00 C ATOM 659 C LEU A 45 -7.751 3.020 3.550 1.00 0.00 C ATOM 660 O LEU A 45 -8.319 1.956 3.800 1.00 0.00 O ATOM 661 CB LEU A 45 -8.753 5.284 3.074 1.00 0.00 C ATOM 662 CG LEU A 45 -9.873 6.201 3.591 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.063 7.394 2.649 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.205 5.447 3.708 1.00 0.00 C ATOM 0 H LEU A 45 -6.880 5.909 4.525 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.032 4.130 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.933 5.894 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.126 4.695 2.236 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.576 6.550 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.859 8.034 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.136 7.964 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.329 7.034 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.975 6.124 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.495 5.066 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.092 4.614 4.402 1.00 0.00 H new ATOM 676 N PHE A 46 -6.691 3.092 2.747 1.00 0.00 N ATOM 677 CA PHE A 46 -6.073 1.933 2.121 1.00 0.00 C ATOM 678 C PHE A 46 -5.663 0.924 3.202 1.00 0.00 C ATOM 679 O PHE A 46 -5.873 -0.276 3.041 1.00 0.00 O ATOM 680 CB PHE A 46 -4.894 2.425 1.279 1.00 0.00 C ATOM 681 CG PHE A 46 -4.006 1.353 0.674 1.00 0.00 C ATOM 682 CD1 PHE A 46 -2.857 0.927 1.367 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.221 0.906 -0.644 1.00 0.00 C ATOM 684 CE1 PHE A 46 -1.855 0.199 0.703 1.00 0.00 C ATOM 685 CE2 PHE A 46 -3.214 0.192 -1.310 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.017 -0.135 -0.650 1.00 0.00 C ATOM 0 H PHE A 46 -6.233 3.973 2.512 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.766 1.412 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.285 3.042 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.275 3.071 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.745 1.161 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.158 1.112 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.963 -0.102 1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.359 -0.109 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.225 -0.641 -1.182 1.00 0.00 H new ATOM 696 N GLU A 47 -5.115 1.400 4.323 1.00 0.00 N ATOM 697 CA GLU A 47 -4.732 0.547 5.442 1.00 0.00 C ATOM 698 C GLU A 47 -5.970 -0.149 6.023 1.00 0.00 C ATOM 699 O GLU A 47 -5.927 -1.332 6.355 1.00 0.00 O ATOM 700 CB GLU A 47 -3.990 1.381 6.492 1.00 0.00 C ATOM 701 CG GLU A 47 -3.241 0.472 7.480 1.00 0.00 C ATOM 702 CD GLU A 47 -2.204 1.233 8.304 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.374 2.464 8.450 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.243 0.572 8.754 1.00 0.00 O ATOM 0 H GLU A 47 -4.926 2.390 4.477 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.055 -0.235 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.284 2.050 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.699 2.008 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.959 0.001 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.747 -0.328 6.929 1.00 0.00 H new ATOM 711 N THR A 48 -7.090 0.569 6.133 1.00 0.00 N ATOM 712 CA THR A 48 -8.338 -0.018 6.600 1.00 0.00 C ATOM 713 C THR A 48 -8.709 -1.141 5.629 1.00 0.00 C ATOM 714 O THR A 48 -8.954 -2.262 6.059 1.00 0.00 O ATOM 715 CB THR A 48 -9.439 1.047 6.727 1.00 0.00 C ATOM 716 OG1 THR A 48 -8.990 2.108 7.545 1.00 0.00 O ATOM 717 CG2 THR A 48 -10.694 0.462 7.380 1.00 0.00 C ATOM 0 H THR A 48 -7.153 1.561 5.903 1.00 0.00 H new ATOM 0 HA THR A 48 -8.221 -0.433 7.601 1.00 0.00 H new ATOM 0 HB THR A 48 -9.672 1.400 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.280 2.600 7.082 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.458 1.236 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.071 -0.360 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.448 0.093 8.376 1.00 0.00 H new ATOM 725 N LEU A 49 -8.682 -0.880 4.317 1.00 0.00 N ATOM 726 CA LEU A 49 -8.950 -1.924 3.330 1.00 0.00 C ATOM 727 C LEU A 49 -7.968 -3.092 3.511 1.00 0.00 C ATOM 728 O LEU A 49 -8.368 -4.249 3.412 1.00 0.00 O ATOM 729 CB LEU A 49 -8.892 -1.345 1.911 1.00 0.00 C ATOM 730 CG LEU A 49 -10.145 -0.513 1.600 1.00 0.00 C ATOM 731 CD1 LEU A 49 -9.831 0.562 0.553 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.283 -1.407 1.093 1.00 0.00 C ATOM 0 H LEU A 49 -8.479 0.037 3.920 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.957 -2.312 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.003 -0.723 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.802 -2.156 1.188 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.462 -0.030 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.731 1.141 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.053 1.224 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.486 0.086 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.159 -0.795 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.967 -1.918 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.533 -2.145 1.855 1.00 0.00 H new ATOM 744 N SER A 50 -6.697 -2.805 3.810 1.00 0.00 N ATOM 745 CA SER A 50 -5.693 -3.834 4.069 1.00 0.00 C ATOM 746 C SER A 50 -6.196 -4.756 5.181 1.00 0.00 C ATOM 747 O SER A 50 -6.278 -5.972 5.001 1.00 0.00 O ATOM 748 CB SER A 50 -4.346 -3.199 4.442 1.00 0.00 C ATOM 749 OG SER A 50 -3.961 -2.154 3.573 1.00 0.00 O ATOM 0 H SER A 50 -6.339 -1.853 3.878 1.00 0.00 H new ATOM 0 HA SER A 50 -5.535 -4.422 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.404 -2.813 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.575 -3.969 4.436 1.00 0.00 H new ATOM 0 HG SER A 50 -4.278 -2.349 2.666 1.00 0.00 H new ATOM 755 N ASN A 51 -6.559 -4.159 6.320 1.00 0.00 N ATOM 756 CA ASN A 51 -7.117 -4.864 7.468 1.00 0.00 C ATOM 757 C ASN A 51 -8.363 -5.657 7.065 1.00 0.00 C ATOM 758 O ASN A 51 -8.519 -6.810 7.451 1.00 0.00 O ATOM 759 CB ASN A 51 -7.465 -3.842 8.564 1.00 0.00 C ATOM 760 CG ASN A 51 -8.466 -4.383 9.585 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.071 -4.929 10.608 1.00 0.00 O ATOM 762 ND2 ASN A 51 -9.767 -4.228 9.339 1.00 0.00 N ATOM 0 H ASN A 51 -6.470 -3.154 6.468 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.379 -5.571 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.552 -3.545 9.080 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.875 -2.945 8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.457 -4.567 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.073 -3.770 8.480 1.00 0.00 H new ATOM 769 N ASP A 52 -9.256 -5.026 6.304 1.00 0.00 N ATOM 770 CA ASP A 52 -10.537 -5.601 5.922 1.00 0.00 C ATOM 771 C ASP A 52 -10.363 -6.837 5.044 1.00 0.00 C ATOM 772 O ASP A 52 -11.071 -7.823 5.233 1.00 0.00 O ATOM 773 CB ASP A 52 -11.377 -4.552 5.182 1.00 0.00 C ATOM 774 CG ASP A 52 -11.679 -3.308 6.018 1.00 0.00 C ATOM 775 OD1 ASP A 52 -11.441 -3.350 7.248 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.135 -2.323 5.398 1.00 0.00 O ATOM 0 H ASP A 52 -9.104 -4.088 5.932 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.049 -5.909 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.851 -4.251 4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.317 -5.006 4.869 1.00 0.00 H new ATOM 781 N TYR A 53 -9.449 -6.788 4.072 1.00 0.00 N ATOM 782 CA TYR A 53 -9.253 -7.908 3.162 1.00 0.00 C ATOM 783 C TYR A 53 -8.407 -8.981 3.854 1.00 0.00 C ATOM 784 O TYR A 53 -8.749 -10.159 3.785 1.00 0.00 O ATOM 785 CB TYR A 53 -8.647 -7.405 1.847 1.00 0.00 C ATOM 786 CG TYR A 53 -9.680 -6.869 0.864 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.385 -5.679 1.129 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.027 -7.637 -0.266 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.426 -5.268 0.279 1.00 0.00 C ATOM 790 CE2 TYR A 53 -11.077 -7.231 -1.108 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.781 -6.049 -0.832 1.00 0.00 C ATOM 792 OH TYR A 53 -12.784 -5.637 -1.656 1.00 0.00 O ATOM 0 H TYR A 53 -8.839 -5.989 3.899 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.205 -8.373 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.925 -6.619 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.097 -8.219 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.125 -5.080 1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.483 -8.543 -0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.955 -4.348 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.342 -7.829 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.904 -6.290 -2.377 1.00 0.00 H new ATOM 802 N ALA A 54 -7.319 -8.580 4.522 1.00 0.00 N ATOM 803 CA ALA A 54 -6.451 -9.405 5.359 1.00 0.00 C ATOM 804 C ALA A 54 -5.741 -10.579 4.671 1.00 0.00 C ATOM 805 O ALA A 54 -4.515 -10.599 4.639 1.00 0.00 O ATOM 806 CB ALA A 54 -7.242 -9.929 6.566 1.00 0.00 C ATOM 0 H ALA A 54 -7.005 -7.610 4.488 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.646 -8.731 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.592 -10.544 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.614 -9.087 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.083 -10.528 6.217 1.00 0.00 H new ATOM 812 N GLY A 55 -6.490 -11.568 4.182 1.00 0.00 N ATOM 813 CA GLY A 55 -6.036 -12.854 3.658 1.00 0.00 C ATOM 814 C GLY A 55 -4.957 -12.818 2.567 1.00 0.00 C ATOM 815 O GLY A 55 -3.838 -12.355 2.782 1.00 0.00 O ATOM 0 H GLY A 55 -7.506 -11.483 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.656 -13.445 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.902 -13.383 3.261 1.00 0.00 H new ATOM 819 N LYS A 56 -5.267 -13.351 1.382 1.00 0.00 N ATOM 820 CA LYS A 56 -4.324 -13.479 0.276 1.00 0.00 C ATOM 821 C LYS A 56 -4.136 -12.141 -0.447 1.00 0.00 C ATOM 822 O LYS A 56 -4.322 -12.064 -1.657 1.00 0.00 O ATOM 823 CB LYS A 56 -4.804 -14.599 -0.667 1.00 0.00 C ATOM 824 CG LYS A 56 -6.255 -14.462 -1.129 1.00 0.00 C ATOM 825 CD LYS A 56 -6.439 -15.246 -2.436 1.00 0.00 C ATOM 826 CE LYS A 56 -6.645 -14.321 -3.642 1.00 0.00 C ATOM 827 NZ LYS A 56 -5.443 -13.529 -3.952 1.00 0.00 N ATOM 0 H LYS A 56 -6.196 -13.711 1.164 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.341 -13.754 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.157 -14.620 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.686 -15.557 -0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.931 -14.842 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.504 -13.412 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.565 -15.874 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.296 -15.912 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.918 -14.918 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.479 -13.648 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.690 -12.771 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.067 -13.111 -3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.722 -14.145 -4.379 1.00 0.00 H new ATOM 841 N VAL A 57 -3.760 -11.098 0.297 1.00 0.00 N ATOM 842 CA VAL A 57 -3.572 -9.738 -0.200 1.00 0.00 C ATOM 843 C VAL A 57 -2.313 -9.115 0.404 1.00 0.00 C ATOM 844 O VAL A 57 -1.948 -9.448 1.538 1.00 0.00 O ATOM 845 CB VAL A 57 -4.813 -8.894 0.142 1.00 0.00 C ATOM 846 CG1 VAL A 57 -6.094 -9.527 -0.420 1.00 0.00 C ATOM 847 CG2 VAL A 57 -4.983 -8.696 1.657 1.00 0.00 C ATOM 0 H VAL A 57 -3.572 -11.183 1.296 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.446 -9.765 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.651 -7.921 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.951 -8.906 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.017 -9.603 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.225 -10.522 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.872 -8.095 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.091 -9.667 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.107 -8.186 2.058 1.00 0.00 H new ATOM 857 N ILE A 58 -1.663 -8.216 -0.349 1.00 0.00 N ATOM 858 CA ILE A 58 -0.450 -7.527 0.075 1.00 0.00 C ATOM 859 C ILE A 58 -0.626 -6.039 -0.253 1.00 0.00 C ATOM 860 O ILE A 58 -0.566 -5.635 -1.411 1.00 0.00 O ATOM 861 CB ILE A 58 0.777 -8.182 -0.598 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.066 -9.563 0.025 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.030 -7.308 -0.454 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.508 -10.706 -0.828 1.00 0.00 C ATOM 0 H ILE A 58 -1.975 -7.948 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.276 -7.611 1.148 1.00 0.00 H new ATOM 0 HB ILE A 58 0.539 -8.293 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.142 -9.690 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.630 -9.609 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.874 -7.799 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.855 -6.340 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.253 -7.163 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.735 -11.660 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.572 -10.595 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.964 -10.678 -1.818 1.00 0.00 H new ATOM 876 N PHE A 59 -0.868 -5.227 0.778 1.00 0.00 N ATOM 877 CA PHE A 59 -1.084 -3.793 0.667 1.00 0.00 C ATOM 878 C PHE A 59 0.177 -3.075 1.151 1.00 0.00 C ATOM 879 O PHE A 59 0.349 -2.821 2.342 1.00 0.00 O ATOM 880 CB PHE A 59 -2.306 -3.384 1.490 1.00 0.00 C ATOM 881 CG PHE A 59 -3.672 -3.658 0.875 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.170 -4.973 0.799 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.545 -2.578 0.641 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.545 -5.194 0.587 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.917 -2.801 0.440 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.429 -4.107 0.485 1.00 0.00 C ATOM 0 H PHE A 59 -0.919 -5.564 1.739 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.277 -3.516 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.256 -3.898 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.235 -2.316 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.498 -5.812 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.156 -1.571 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.921 -6.203 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.578 -1.968 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.495 -4.275 0.442 1.00 0.00 H new ATOM 896 N LEU A 60 1.058 -2.739 0.211 1.00 0.00 N ATOM 897 CA LEU A 60 2.325 -2.075 0.459 1.00 0.00 C ATOM 898 C LEU A 60 2.095 -0.572 0.653 1.00 0.00 C ATOM 899 O LEU A 60 2.063 0.191 -0.312 1.00 0.00 O ATOM 900 CB LEU A 60 3.257 -2.346 -0.736 1.00 0.00 C ATOM 901 CG LEU A 60 3.533 -3.829 -1.010 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.489 -3.953 -2.200 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.131 -4.548 0.202 1.00 0.00 C ATOM 0 H LEU A 60 0.898 -2.931 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 60 2.787 -2.460 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.819 -1.901 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.206 -1.840 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 60 2.578 -4.306 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.688 -5.006 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.035 -3.497 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.425 -3.444 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.307 -5.595 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.075 -4.076 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.438 -4.486 1.041 1.00 0.00 H new ATOM 915 N LYS A 61 1.914 -0.129 1.899 1.00 0.00 N ATOM 916 CA LYS A 61 1.714 1.284 2.187 1.00 0.00 C ATOM 917 C LYS A 61 3.080 1.972 2.316 1.00 0.00 C ATOM 918 O LYS A 61 3.778 1.762 3.312 1.00 0.00 O ATOM 919 CB LYS A 61 0.852 1.429 3.446 1.00 0.00 C ATOM 920 CG LYS A 61 -0.010 2.688 3.333 1.00 0.00 C ATOM 921 CD LYS A 61 -0.787 2.957 4.622 1.00 0.00 C ATOM 922 CE LYS A 61 0.079 3.704 5.639 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.721 4.172 6.786 1.00 0.00 N ATOM 0 H LYS A 61 1.903 -0.732 2.722 1.00 0.00 H new ATOM 0 HA LYS A 61 1.180 1.775 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.218 0.551 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.487 1.489 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.624 3.544 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.708 2.578 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.678 3.543 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.125 2.014 5.050 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.875 3.049 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.558 4.556 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.095 4.614 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.422 4.868 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.212 3.364 7.220 1.00 0.00 H new ATOM 937 N VAL A 62 3.450 2.784 1.313 1.00 0.00 N ATOM 938 CA VAL A 62 4.730 3.470 1.215 1.00 0.00 C ATOM 939 C VAL A 62 4.525 4.986 1.277 1.00 0.00 C ATOM 940 O VAL A 62 3.503 5.513 0.842 1.00 0.00 O ATOM 941 CB VAL A 62 5.413 3.076 -0.111 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.778 3.763 -0.273 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.618 1.558 -0.198 1.00 0.00 C ATOM 0 H VAL A 62 2.836 2.982 0.523 1.00 0.00 H new ATOM 0 HA VAL A 62 5.365 3.177 2.051 1.00 0.00 H new ATOM 0 HB VAL A 62 4.749 3.405 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.228 3.460 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.644 4.845 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.432 3.472 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.101 1.310 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.247 1.228 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.652 1.057 -0.142 1.00 0.00 H new ATOM 953 N ASP A 63 5.526 5.690 1.813 1.00 0.00 N ATOM 954 CA ASP A 63 5.535 7.139 1.918 1.00 0.00 C ATOM 955 C ASP A 63 6.581 7.692 0.944 1.00 0.00 C ATOM 956 O ASP A 63 7.775 7.421 1.089 1.00 0.00 O ATOM 957 CB ASP A 63 5.833 7.536 3.362 1.00 0.00 C ATOM 958 CG ASP A 63 5.745 9.044 3.501 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.722 9.703 3.086 1.00 0.00 O ATOM 960 OD2 ASP A 63 4.688 9.506 3.982 1.00 0.00 O ATOM 0 H ASP A 63 6.366 5.253 2.192 1.00 0.00 H new ATOM 0 HA ASP A 63 4.564 7.558 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.123 7.056 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.827 7.191 3.647 1.00 0.00 H new ATOM 965 N VAL A 64 6.122 8.451 -0.054 1.00 0.00 N ATOM 966 CA VAL A 64 6.947 9.034 -1.105 1.00 0.00 C ATOM 967 C VAL A 64 8.024 9.941 -0.515 1.00 0.00 C ATOM 968 O VAL A 64 9.180 9.872 -0.927 1.00 0.00 O ATOM 969 CB VAL A 64 6.040 9.812 -2.080 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.832 10.680 -3.067 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.181 8.825 -2.878 1.00 0.00 C ATOM 0 H VAL A 64 5.133 8.682 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 64 7.458 8.238 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 64 5.421 10.475 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.141 11.203 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.427 11.407 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.491 10.047 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.540 9.375 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.828 8.153 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.563 8.244 -2.193 1.00 0.00 H new ATOM 981 N ASP A 65 7.641 10.799 0.433 1.00 0.00 N ATOM 982 CA ASP A 65 8.561 11.750 1.046 1.00 0.00 C ATOM 983 C ASP A 65 9.724 10.996 1.691 1.00 0.00 C ATOM 984 O ASP A 65 10.870 11.422 1.586 1.00 0.00 O ATOM 985 CB ASP A 65 7.838 12.619 2.081 1.00 0.00 C ATOM 986 CG ASP A 65 6.628 13.326 1.490 1.00 0.00 C ATOM 987 OD1 ASP A 65 6.705 13.728 0.308 1.00 0.00 O ATOM 988 OD2 ASP A 65 5.633 13.456 2.235 1.00 0.00 O ATOM 0 H ASP A 65 6.688 10.852 0.794 1.00 0.00 H new ATOM 0 HA ASP A 65 8.952 12.411 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.521 11.997 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.531 13.360 2.479 1.00 0.00 H new ATOM 993 N ALA A 66 9.421 9.880 2.361 1.00 0.00 N ATOM 994 CA ALA A 66 10.430 9.064 3.011 1.00 0.00 C ATOM 995 C ALA A 66 11.277 8.338 1.964 1.00 0.00 C ATOM 996 O ALA A 66 12.442 8.685 1.766 1.00 0.00 O ATOM 997 CB ALA A 66 9.762 8.081 3.977 1.00 0.00 C ATOM 0 H ALA A 66 8.470 9.525 2.463 1.00 0.00 H new ATOM 0 HA ALA A 66 11.097 9.703 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.525 7.472 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.206 8.635 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.079 7.436 3.425 1.00 0.00 H new ATOM 1003 N VAL A 67 10.720 7.341 1.267 1.00 0.00 N ATOM 1004 CA VAL A 67 11.522 6.569 0.317 1.00 0.00 C ATOM 1005 C VAL A 67 11.519 7.226 -1.060 1.00 0.00 C ATOM 1006 O VAL A 67 11.111 6.628 -2.058 1.00 0.00 O ATOM 1007 CB VAL A 67 11.138 5.085 0.298 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.552 4.423 1.618 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.663 4.822 0.010 1.00 0.00 C ATOM 0 H VAL A 67 9.743 7.056 1.340 1.00 0.00 H new ATOM 0 HA VAL A 67 12.556 6.582 0.660 1.00 0.00 H new ATOM 0 HB VAL A 67 11.682 4.641 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.276 3.369 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.630 4.514 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.044 4.915 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.477 3.748 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.052 5.299 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.405 5.230 -0.967 1.00 0.00 H new ATOM 1019 N ALA A 68 12.073 8.440 -1.113 1.00 0.00 N ATOM 1020 CA ALA A 68 12.215 9.215 -2.339 1.00 0.00 C ATOM 1021 C ALA A 68 12.852 8.362 -3.442 1.00 0.00 C ATOM 1022 O ALA A 68 12.406 8.394 -4.585 1.00 0.00 O ATOM 1023 CB ALA A 68 13.060 10.459 -2.054 1.00 0.00 C ATOM 0 H ALA A 68 12.440 8.916 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 68 11.230 9.527 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.169 11.042 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.569 11.066 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.044 10.156 -1.697 1.00 0.00 H new ATOM 1029 N ALA A 69 13.873 7.574 -3.087 1.00 0.00 N ATOM 1030 CA ALA A 69 14.577 6.688 -4.006 1.00 0.00 C ATOM 1031 C ALA A 69 13.615 5.690 -4.665 1.00 0.00 C ATOM 1032 O ALA A 69 13.595 5.551 -5.888 1.00 0.00 O ATOM 1033 CB ALA A 69 15.676 5.946 -3.241 1.00 0.00 C ATOM 0 H ALA A 69 14.236 7.537 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 69 15.022 7.286 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.208 5.281 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.376 6.667 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.229 5.361 -2.438 1.00 0.00 H new ATOM 1039 N VAL A 70 12.817 4.987 -3.856 1.00 0.00 N ATOM 1040 CA VAL A 70 11.869 4.005 -4.370 1.00 0.00 C ATOM 1041 C VAL A 70 10.835 4.735 -5.223 1.00 0.00 C ATOM 1042 O VAL A 70 10.505 4.290 -6.318 1.00 0.00 O ATOM 1043 CB VAL A 70 11.203 3.234 -3.217 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.225 2.175 -3.749 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.256 2.515 -2.366 1.00 0.00 C ATOM 0 H VAL A 70 12.812 5.083 -2.841 1.00 0.00 H new ATOM 0 HA VAL A 70 12.389 3.270 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 70 10.665 3.966 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.770 1.647 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.447 2.661 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.764 1.465 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.764 1.976 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.807 1.810 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.947 3.247 -1.947 1.00 0.00 H new ATOM 1055 N ALA A 71 10.334 5.865 -4.719 1.00 0.00 N ATOM 1056 CA ALA A 71 9.346 6.667 -5.422 1.00 0.00 C ATOM 1057 C ALA A 71 9.838 7.049 -6.822 1.00 0.00 C ATOM 1058 O ALA A 71 9.160 6.756 -7.806 1.00 0.00 O ATOM 1059 CB ALA A 71 9.010 7.904 -4.589 1.00 0.00 C ATOM 0 H ALA A 71 10.606 6.245 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 71 8.439 6.078 -5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.269 8.506 -5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.608 7.595 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.913 8.494 -4.433 1.00 0.00 H new ATOM 1065 N GLU A 72 11.007 7.686 -6.940 1.00 0.00 N ATOM 1066 CA GLU A 72 11.510 8.085 -8.248 1.00 0.00 C ATOM 1067 C GLU A 72 11.783 6.841 -9.102 1.00 0.00 C ATOM 1068 O GLU A 72 11.424 6.830 -10.278 1.00 0.00 O ATOM 1069 CB GLU A 72 12.727 9.014 -8.121 1.00 0.00 C ATOM 1070 CG GLU A 72 13.980 8.361 -7.532 1.00 0.00 C ATOM 1071 CD GLU A 72 15.080 9.386 -7.283 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.666 9.843 -8.289 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.311 9.698 -6.095 1.00 0.00 O ATOM 0 H GLU A 72 11.611 7.931 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 72 10.749 8.670 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.970 9.407 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.452 9.865 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.726 7.863 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.345 7.592 -8.213 1.00 0.00 H new ATOM 1080 N ALA A 73 12.364 5.781 -8.525 1.00 0.00 N ATOM 1081 CA ALA A 73 12.614 4.545 -9.262 1.00 0.00 C ATOM 1082 C ALA A 73 11.309 3.998 -9.853 1.00 0.00 C ATOM 1083 O ALA A 73 11.280 3.559 -11.000 1.00 0.00 O ATOM 1084 CB ALA A 73 13.272 3.512 -8.343 1.00 0.00 C ATOM 0 H ALA A 73 12.668 5.759 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 73 13.294 4.757 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.455 2.593 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.218 3.906 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.612 3.301 -7.502 1.00 0.00 H new ATOM 1090 N ALA A 74 10.221 4.046 -9.079 1.00 0.00 N ATOM 1091 CA ALA A 74 8.898 3.599 -9.499 1.00 0.00 C ATOM 1092 C ALA A 74 8.163 4.678 -10.320 1.00 0.00 C ATOM 1093 O ALA A 74 6.985 4.512 -10.629 1.00 0.00 O ATOM 1094 CB ALA A 74 8.109 3.182 -8.252 1.00 0.00 C ATOM 0 H ALA A 74 10.240 4.405 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 74 8.996 2.741 -10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.115 2.844 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.632 2.372 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.018 4.033 -7.578 1.00 0.00 H new ATOM 1100 N GLY A 75 8.829 5.780 -10.685 1.00 0.00 N ATOM 1101 CA GLY A 75 8.264 6.846 -11.506 1.00 0.00 C ATOM 1102 C GLY A 75 7.085 7.556 -10.839 1.00 0.00 C ATOM 1103 O GLY A 75 6.230 8.128 -11.524 1.00 0.00 O ATOM 0 H GLY A 75 9.795 5.955 -10.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.042 7.577 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.937 6.429 -12.458 1.00 0.00 H new ATOM 1107 N ILE A 76 7.052 7.563 -9.504 1.00 0.00 N ATOM 1108 CA ILE A 76 5.981 8.174 -8.735 1.00 0.00 C ATOM 1109 C ILE A 76 6.146 9.690 -8.785 1.00 0.00 C ATOM 1110 O ILE A 76 6.689 10.326 -7.885 1.00 0.00 O ATOM 1111 CB ILE A 76 5.965 7.632 -7.301 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.906 6.096 -7.278 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.775 8.232 -6.547 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.728 5.470 -8.027 1.00 0.00 C ATOM 0 H ILE A 76 7.778 7.139 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 76 5.014 7.919 -9.168 1.00 0.00 H new ATOM 0 HB ILE A 76 6.892 7.924 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.832 5.708 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.870 5.767 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.760 7.849 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.868 9.318 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.849 7.957 -7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.782 4.384 -7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.792 5.819 -7.591 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.769 5.760 -9.077 1.00 0.00 H new ATOM 1126 N THR A 77 5.670 10.239 -9.892 1.00 0.00 N ATOM 1127 CA THR A 77 5.667 11.642 -10.230 1.00 0.00 C ATOM 1128 C THR A 77 4.344 12.242 -9.755 1.00 0.00 C ATOM 1129 O THR A 77 4.291 12.964 -8.761 1.00 0.00 O ATOM 1130 CB THR A 77 5.841 11.736 -11.753 1.00 0.00 C ATOM 1131 OG1 THR A 77 5.067 10.717 -12.375 1.00 0.00 O ATOM 1132 CG2 THR A 77 7.308 11.544 -12.147 1.00 0.00 C ATOM 0 H THR A 77 5.247 9.670 -10.625 1.00 0.00 H new ATOM 0 HA THR A 77 6.472 12.198 -9.751 1.00 0.00 H new ATOM 0 HB THR A 77 5.512 12.723 -12.078 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.173 10.773 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.406 11.615 -13.230 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.915 12.317 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.648 10.563 -11.815 1.00 0.00 H new ATOM 1140 N ALA A 78 3.260 11.908 -10.458 1.00 0.00 N ATOM 1141 CA ALA A 78 1.919 12.400 -10.165 1.00 0.00 C ATOM 1142 C ALA A 78 1.312 11.682 -8.952 1.00 0.00 C ATOM 1143 O ALA A 78 0.265 11.047 -9.067 1.00 0.00 O ATOM 1144 CB ALA A 78 1.050 12.221 -11.416 1.00 0.00 C ATOM 0 H ALA A 78 3.293 11.278 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 78 1.968 13.458 -9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.042 12.584 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.481 12.786 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.008 11.165 -11.682 1.00 0.00 H new ATOM 1150 N MET A 79 1.958 11.781 -7.786 1.00 0.00 N ATOM 1151 CA MET A 79 1.434 11.173 -6.568 1.00 0.00 C ATOM 1152 C MET A 79 0.161 11.933 -6.145 1.00 0.00 C ATOM 1153 O MET A 79 0.063 13.126 -6.444 1.00 0.00 O ATOM 1154 CB MET A 79 2.519 11.160 -5.474 1.00 0.00 C ATOM 1155 CG MET A 79 2.723 12.496 -4.752 1.00 0.00 C ATOM 1156 SD MET A 79 1.552 12.837 -3.411 1.00 0.00 S ATOM 1157 CE MET A 79 1.413 14.629 -3.587 1.00 0.00 C ATOM 0 H MET A 79 2.842 12.276 -7.664 1.00 0.00 H new ATOM 0 HA MET A 79 1.160 10.132 -6.740 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.261 10.400 -4.736 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.465 10.859 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.734 12.520 -4.345 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.656 13.300 -5.485 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.725 15.016 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.394 15.085 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.036 14.869 -4.581 1.00 0.00 H new ATOM 1167 N PRO A 80 -0.813 11.320 -5.446 1.00 0.00 N ATOM 1168 CA PRO A 80 -0.880 9.928 -5.021 1.00 0.00 C ATOM 1169 C PRO A 80 -0.852 8.956 -6.198 1.00 0.00 C ATOM 1170 O PRO A 80 -1.329 9.281 -7.285 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.210 9.783 -4.278 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.491 11.189 -3.765 1.00 0.00 C ATOM 1173 CD PRO A 80 -1.909 12.076 -4.863 1.00 0.00 C ATOM 0 HA PRO A 80 -0.016 9.688 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.002 9.432 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.136 9.066 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.558 11.363 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.012 11.371 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.663 12.314 -5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.557 13.023 -4.454 1.00 0.00 H new ATOM 1181 N THR A 81 -0.273 7.771 -6.008 1.00 0.00 N ATOM 1182 CA THR A 81 -0.187 6.770 -7.058 1.00 0.00 C ATOM 1183 C THR A 81 -0.260 5.381 -6.439 1.00 0.00 C ATOM 1184 O THR A 81 0.296 5.138 -5.366 1.00 0.00 O ATOM 1185 CB THR A 81 1.101 6.978 -7.860 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.105 8.248 -8.480 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.277 5.926 -8.956 1.00 0.00 C ATOM 0 H THR A 81 0.147 7.483 -5.124 1.00 0.00 H new ATOM 0 HA THR A 81 -1.024 6.870 -7.749 1.00 0.00 H new ATOM 0 HB THR A 81 1.919 6.893 -7.145 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.936 8.362 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.204 6.116 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.316 4.934 -8.505 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.436 5.977 -9.648 1.00 0.00 H new ATOM 1195 N PHE A 82 -0.954 4.481 -7.136 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.221 3.121 -6.726 1.00 0.00 C ATOM 1197 C PHE A 82 -0.950 2.210 -7.918 1.00 0.00 C ATOM 1198 O PHE A 82 -1.420 2.504 -9.015 1.00 0.00 O ATOM 1199 CB PHE A 82 -2.689 3.035 -6.289 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.053 3.985 -5.162 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.280 5.349 -5.433 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.064 3.532 -3.831 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.407 6.268 -4.380 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -3.242 4.448 -2.782 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.311 5.824 -3.053 1.00 0.00 C ATOM 0 H PHE A 82 -1.361 4.701 -8.045 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.587 2.815 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.326 3.245 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.905 2.014 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.357 5.689 -6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.936 2.481 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.578 7.313 -4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.326 4.094 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.290 6.538 -2.243 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.178 1.140 -7.719 1.00 0.00 N ATOM 1216 CA HIS A 83 0.148 0.150 -8.745 1.00 0.00 C ATOM 1217 C HIS A 83 -0.242 -1.228 -8.210 1.00 0.00 C ATOM 1218 O HIS A 83 -0.333 -1.388 -6.989 1.00 0.00 O ATOM 1219 CB HIS A 83 1.651 0.130 -9.066 1.00 0.00 C ATOM 1220 CG HIS A 83 2.335 1.394 -9.527 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.729 1.436 -9.607 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.838 2.602 -9.946 1.00 0.00 C ATOM 1223 CE1 HIS A 83 4.012 2.650 -10.085 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.913 3.383 -10.315 1.00 0.00 N ATOM 0 H HIS A 83 0.249 0.933 -6.816 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.392 0.407 -9.656 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.170 -0.213 -8.171 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.809 -0.625 -9.836 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.797 2.888 -9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.016 3.003 -10.267 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.879 4.331 -10.689 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.449 -2.207 -9.098 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.730 -3.595 -8.733 1.00 0.00 C ATOM 1234 C VAL A 84 0.309 -4.489 -9.420 1.00 0.00 C ATOM 1235 O VAL A 84 0.399 -4.476 -10.649 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.158 -4.004 -9.131 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.525 -5.266 -8.340 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.186 -2.908 -8.815 1.00 0.00 C ATOM 0 H VAL A 84 -0.425 -2.052 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.663 -3.708 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.180 -4.176 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.535 -5.579 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.823 -6.064 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.478 -5.053 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.179 -3.244 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.180 -2.701 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.930 -2.000 -9.362 1.00 0.00 H new ATOM 1248 N TYR A 85 1.073 -5.276 -8.648 1.00 0.00 N ATOM 1249 CA TYR A 85 2.185 -6.073 -9.171 1.00 0.00 C ATOM 1250 C TYR A 85 1.884 -7.578 -9.126 1.00 0.00 C ATOM 1251 O TYR A 85 2.392 -8.272 -8.253 1.00 0.00 O ATOM 1252 CB TYR A 85 3.455 -5.744 -8.365 1.00 0.00 C ATOM 1253 CG TYR A 85 3.791 -4.269 -8.242 1.00 0.00 C ATOM 1254 CD1 TYR A 85 4.099 -3.514 -9.388 1.00 0.00 C ATOM 1255 CD2 TYR A 85 3.890 -3.674 -6.970 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.474 -2.163 -9.266 1.00 0.00 C ATOM 1257 CE2 TYR A 85 4.314 -2.341 -6.847 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.599 -1.582 -7.993 1.00 0.00 C ATOM 1259 OH TYR A 85 4.980 -0.282 -7.860 1.00 0.00 O ATOM 0 H TYR A 85 0.934 -5.376 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 85 2.335 -5.817 -10.220 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.345 -6.158 -7.363 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.300 -6.253 -8.829 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.048 -3.972 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.639 -4.244 -6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.666 -1.573 -10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.421 -1.898 -5.868 1.00 0.00 H new ATOM 0 HH TYR A 85 4.293 0.301 -8.245 1.00 0.00 H new ATOM 1269 N LYS A 86 1.061 -8.102 -10.040 1.00 0.00 N ATOM 1270 CA LYS A 86 0.712 -9.531 -10.068 1.00 0.00 C ATOM 1271 C LYS A 86 1.703 -10.304 -10.951 1.00 0.00 C ATOM 1272 O LYS A 86 2.719 -9.745 -11.361 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.731 -9.691 -10.580 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.709 -8.843 -9.755 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.190 -9.162 -10.014 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.586 -10.586 -9.602 1.00 0.00 C ATOM 1277 NZ LYS A 86 -5.052 -10.733 -9.503 1.00 0.00 N ATOM 0 H LYS A 86 0.619 -7.554 -10.778 1.00 0.00 H new ATOM 0 HA LYS A 86 0.774 -9.944 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.783 -9.395 -11.628 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.023 -10.740 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.497 -8.990 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.532 -7.790 -9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.809 -8.449 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.404 -9.025 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.196 -11.298 -10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.129 -10.829 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.301 -11.743 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.385 -10.300 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.504 -10.260 -10.311 1.00 0.00 H new ATOM 1291 N ASP A 87 1.407 -11.572 -11.293 1.00 0.00 N ATOM 1292 CA ASP A 87 2.212 -12.329 -12.264 1.00 0.00 C ATOM 1293 C ASP A 87 2.359 -11.476 -13.511 1.00 0.00 C ATOM 1294 O ASP A 87 3.430 -11.360 -14.096 1.00 0.00 O ATOM 1295 CB ASP A 87 1.536 -13.599 -12.783 1.00 0.00 C ATOM 1296 CG ASP A 87 0.870 -14.470 -11.729 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -0.308 -14.180 -11.428 1.00 0.00 O ATOM 1298 OD2 ASP A 87 1.540 -15.412 -11.257 1.00 0.00 O ATOM 0 H ASP A 87 0.617 -12.091 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 87 3.136 -12.584 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.785 -13.314 -13.519 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.282 -14.198 -13.305 1.00 0.00 H new ATOM 1303 N GLY A 88 1.226 -10.868 -13.881 1.00 0.00 N ATOM 1304 CA GLY A 88 1.065 -9.932 -14.976 1.00 0.00 C ATOM 1305 C GLY A 88 1.842 -8.633 -14.755 1.00 0.00 C ATOM 1306 O GLY A 88 1.545 -7.640 -15.414 1.00 0.00 O ATOM 0 H GLY A 88 0.349 -11.033 -13.387 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.401 -10.399 -15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.007 -9.702 -15.101 1.00 0.00 H new ATOM 1310 N VAL A 89 2.823 -8.630 -13.843 1.00 0.00 N ATOM 1311 CA VAL A 89 3.775 -7.564 -13.642 1.00 0.00 C ATOM 1312 C VAL A 89 3.003 -6.359 -13.105 1.00 0.00 C ATOM 1313 O VAL A 89 1.984 -6.557 -12.436 1.00 0.00 O ATOM 1314 CB VAL A 89 4.538 -7.456 -14.985 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.694 -6.456 -14.981 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.023 -8.886 -15.345 1.00 0.00 C ATOM 0 H VAL A 89 2.969 -9.412 -13.204 1.00 0.00 H new ATOM 0 HA VAL A 89 4.549 -7.702 -12.887 1.00 0.00 H new ATOM 0 HB VAL A 89 3.858 -7.058 -15.738 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.170 -6.447 -15.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.313 -5.460 -14.753 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.424 -6.747 -14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.568 -8.859 -16.288 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.679 -9.257 -14.557 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.163 -9.548 -15.442 1.00 0.00 H new ATOM 1326 N LYS A 90 3.497 -5.132 -13.305 1.00 0.00 N ATOM 1327 CA LYS A 90 2.759 -3.911 -13.008 1.00 0.00 C ATOM 1328 C LYS A 90 1.562 -3.931 -13.962 1.00 0.00 C ATOM 1329 O LYS A 90 1.564 -3.293 -15.012 1.00 0.00 O ATOM 1330 CB LYS A 90 3.664 -2.690 -13.212 1.00 0.00 C ATOM 1331 CG LYS A 90 2.939 -1.412 -12.771 1.00 0.00 C ATOM 1332 CD LYS A 90 3.816 -0.162 -12.925 1.00 0.00 C ATOM 1333 CE LYS A 90 4.238 0.112 -14.374 1.00 0.00 C ATOM 1334 NZ LYS A 90 3.094 0.055 -15.302 1.00 0.00 N ATOM 0 H LYS A 90 4.430 -4.963 -13.681 1.00 0.00 H new ATOM 0 HA LYS A 90 2.420 -3.852 -11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.584 -2.811 -12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.949 -2.611 -14.261 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.030 -1.291 -13.361 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.632 -1.512 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.273 0.703 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.709 -0.276 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.706 1.094 -14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.988 -0.618 -14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.320 0.590 -16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.897 -0.936 -15.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.256 0.471 -14.847 1.00 0.00 H new ATOM 1348 N ALA A 91 0.556 -4.711 -13.583 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.539 -5.090 -14.444 1.00 0.00 C ATOM 1350 C ALA A 91 -1.569 -3.980 -14.561 1.00 0.00 C ATOM 1351 O ALA A 91 -2.237 -3.856 -15.584 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.210 -6.334 -13.851 1.00 0.00 C ATOM 0 H ALA A 91 0.485 -5.103 -12.644 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.146 -5.290 -15.441 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.041 -6.637 -14.487 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.484 -7.145 -13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.582 -6.105 -12.852 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.732 -3.210 -13.484 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.714 -2.149 -13.399 1.00 0.00 C ATOM 1360 C ASP A 92 -2.144 -1.038 -12.523 1.00 0.00 C ATOM 1361 O ASP A 92 -1.327 -1.324 -11.644 1.00 0.00 O ATOM 1362 CB ASP A 92 -4.005 -2.741 -12.824 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.242 -1.892 -13.071 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -5.085 -0.712 -13.453 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.337 -2.462 -12.864 1.00 0.00 O ATOM 0 H ASP A 92 -1.172 -3.315 -12.638 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.943 -1.721 -14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.163 -3.729 -13.257 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.881 -2.880 -11.750 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.562 0.207 -12.775 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.102 1.401 -12.080 1.00 0.00 C ATOM 1372 C ASP A 93 -3.267 2.367 -11.904 1.00 0.00 C ATOM 1373 O ASP A 93 -4.304 2.229 -12.551 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.988 2.110 -12.863 1.00 0.00 C ATOM 1375 CG ASP A 93 0.247 1.248 -13.078 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.750 0.713 -12.068 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.686 1.160 -14.244 1.00 0.00 O ATOM 0 H ASP A 93 -3.255 0.412 -13.495 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.708 1.094 -11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.378 2.421 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.700 3.016 -12.330 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.074 3.368 -11.046 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.075 4.358 -10.690 1.00 0.00 C ATOM 1384 C LEU A 94 -3.362 5.557 -10.066 1.00 0.00 C ATOM 1385 O LEU A 94 -2.387 5.370 -9.344 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.054 3.648 -9.741 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.164 4.448 -9.056 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -5.728 5.158 -7.772 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.817 5.404 -10.052 1.00 0.00 C ATOM 0 H LEU A 94 -2.185 3.512 -10.567 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.639 4.748 -11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.531 2.847 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.462 3.176 -8.957 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.908 3.724 -8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.574 5.701 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.375 4.421 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.924 5.858 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.605 5.967 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.067 6.094 -10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.245 4.834 -10.876 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.803 6.784 -10.364 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.220 8.016 -9.853 1.00 0.00 C ATOM 1403 C VAL A 95 -4.293 8.900 -9.212 1.00 0.00 C ATOM 1404 O VAL A 95 -5.490 8.715 -9.449 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.489 8.767 -10.983 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.266 7.977 -11.465 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.404 9.075 -12.178 1.00 0.00 C ATOM 0 H VAL A 95 -4.597 6.945 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.493 7.763 -9.081 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.166 9.717 -10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.768 8.528 -12.262 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.574 7.835 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.586 7.005 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.837 9.605 -12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.789 8.143 -12.591 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.236 9.697 -11.848 1.00 0.00 H new ATOM 1417 N GLY A 96 -3.853 9.867 -8.403 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.730 10.819 -7.741 1.00 0.00 C ATOM 1419 C GLY A 96 -5.506 10.171 -6.595 1.00 0.00 C ATOM 1420 O GLY A 96 -5.390 8.972 -6.341 1.00 0.00 O ATOM 0 H GLY A 96 -2.865 10.007 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.140 11.651 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.430 11.234 -8.466 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.333 10.962 -5.903 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.140 10.496 -4.778 1.00 0.00 C ATOM 1426 C ALA A 97 -8.388 9.748 -5.266 1.00 0.00 C ATOM 1427 O ALA A 97 -9.488 9.939 -4.746 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.518 11.703 -3.911 1.00 0.00 C ATOM 0 H ALA A 97 -6.460 11.952 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.561 9.790 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.121 11.370 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.612 12.184 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.090 12.414 -4.507 1.00 0.00 H new ATOM 1434 N SER A 98 -8.221 8.864 -6.246 1.00 0.00 N ATOM 1435 CA SER A 98 -9.295 8.115 -6.879 1.00 0.00 C ATOM 1436 C SER A 98 -9.697 6.921 -6.006 1.00 0.00 C ATOM 1437 O SER A 98 -9.640 5.775 -6.448 1.00 0.00 O ATOM 1438 CB SER A 98 -8.792 7.691 -8.261 1.00 0.00 C ATOM 1439 OG SER A 98 -8.258 8.807 -8.954 1.00 0.00 O ATOM 0 H SER A 98 -7.303 8.644 -6.632 1.00 0.00 H new ATOM 0 HA SER A 98 -10.195 8.720 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.029 6.920 -8.157 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.610 7.255 -8.835 1.00 0.00 H new ATOM 0 HG SER A 98 -7.296 8.677 -9.091 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.117 7.199 -4.768 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.483 6.206 -3.762 1.00 0.00 C ATOM 1447 C GLN A 99 -11.446 5.153 -4.323 1.00 0.00 C ATOM 1448 O GLN A 99 -11.253 3.959 -4.112 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.090 6.933 -2.553 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.466 5.985 -1.402 1.00 0.00 C ATOM 1451 CD GLN A 99 -10.288 5.162 -0.881 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -10.354 3.941 -0.815 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.203 5.821 -0.489 1.00 0.00 N ATOM 0 H GLN A 99 -10.214 8.157 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.588 5.666 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.378 7.673 -2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.979 7.476 -2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.882 6.570 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.250 5.308 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.173 6.838 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.400 5.309 -0.123 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.486 5.587 -5.035 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.471 4.693 -5.632 1.00 0.00 C ATOM 1464 C ASP A 100 -12.775 3.667 -6.531 1.00 0.00 C ATOM 1465 O ASP A 100 -13.021 2.464 -6.437 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.484 5.514 -6.443 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.123 6.617 -5.608 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -14.384 7.583 -5.307 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -16.319 6.471 -5.278 1.00 0.00 O ATOM 0 H ASP A 100 -12.667 6.575 -5.213 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.998 4.158 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.985 5.955 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.261 4.854 -6.827 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.885 4.149 -7.402 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.158 3.272 -8.301 1.00 0.00 C ATOM 1476 C LYS A 101 -10.179 2.417 -7.497 1.00 0.00 C ATOM 1477 O LYS A 101 -9.970 1.262 -7.841 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.460 4.082 -9.398 1.00 0.00 C ATOM 1479 CG LYS A 101 -9.830 3.132 -10.433 1.00 0.00 C ATOM 1480 CD LYS A 101 -9.584 3.817 -11.785 1.00 0.00 C ATOM 1481 CE LYS A 101 -8.922 2.865 -12.794 1.00 0.00 C ATOM 1482 NZ LYS A 101 -7.578 2.428 -12.371 1.00 0.00 N ATOM 0 H LYS A 101 -11.656 5.138 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.854 2.601 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.177 4.742 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.690 4.717 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.885 2.751 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.484 2.272 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.531 4.174 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.950 4.691 -11.640 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.557 1.990 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.850 3.362 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.165 1.816 -13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.970 3.260 -12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.650 1.899 -11.478 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.575 2.954 -6.433 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.680 2.178 -5.583 1.00 0.00 C ATOM 1498 C LEU A 102 -9.444 0.977 -5.013 1.00 0.00 C ATOM 1499 O LEU A 102 -8.975 -0.158 -5.105 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.095 3.083 -4.488 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.052 2.416 -3.582 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -5.909 1.778 -4.380 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.510 3.504 -2.646 1.00 0.00 C ATOM 0 H LEU A 102 -9.693 3.925 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.840 1.790 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.639 3.952 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.912 3.450 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.519 1.605 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.197 1.319 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.312 1.016 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.404 2.544 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.762 3.072 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.055 4.299 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.328 3.915 -2.054 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.640 1.208 -4.461 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.489 0.131 -3.978 1.00 0.00 C ATOM 1517 C LYS A 103 -11.763 -0.853 -5.120 1.00 0.00 C ATOM 1518 O LYS A 103 -11.616 -2.063 -4.941 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.796 0.707 -3.422 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.593 1.341 -2.043 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.941 1.817 -1.482 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.848 2.181 0.004 1.00 0.00 C ATOM 1523 NZ LYS A 103 -12.973 3.341 0.240 1.00 0.00 N ATOM 0 H LYS A 103 -11.037 2.140 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.985 -0.403 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.187 1.454 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.542 -0.084 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.142 0.618 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.903 2.182 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.283 2.684 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.687 1.034 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.846 2.397 0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.471 1.324 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.805 3.447 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.066 3.196 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.430 4.201 -0.126 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.143 -0.340 -6.297 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.401 -1.184 -7.458 1.00 0.00 C ATOM 1539 C ALA A 104 -11.179 -2.056 -7.782 1.00 0.00 C ATOM 1540 O ALA A 104 -11.339 -3.244 -8.052 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.800 -0.328 -8.663 1.00 0.00 C ATOM 0 H ALA A 104 -12.277 0.657 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.232 -1.849 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.989 -0.973 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.703 0.235 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.993 0.365 -8.901 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.966 -1.488 -7.752 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.743 -2.239 -8.000 1.00 0.00 C ATOM 1549 C LEU A 105 -8.641 -3.377 -6.996 1.00 0.00 C ATOM 1550 O LEU A 105 -8.498 -4.529 -7.396 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.479 -1.368 -7.868 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.200 -0.371 -8.997 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -5.883 0.338 -8.665 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -7.045 -1.059 -10.355 1.00 0.00 C ATOM 0 H LEU A 105 -9.812 -0.499 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.796 -2.611 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.548 -0.811 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.618 -2.031 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.041 0.318 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.650 1.058 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.980 0.858 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.081 -0.397 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.849 -0.310 -11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.214 -1.763 -10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.962 -1.595 -10.598 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.693 -3.057 -5.698 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.592 -4.069 -4.655 1.00 0.00 C ATOM 1568 C VAL A 106 -9.592 -5.188 -4.941 1.00 0.00 C ATOM 1569 O VAL A 106 -9.220 -6.356 -5.017 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.820 -3.433 -3.273 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.861 -4.495 -2.168 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.694 -2.449 -2.934 1.00 0.00 C ATOM 0 H VAL A 106 -8.804 -2.104 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.591 -4.500 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.777 -2.914 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.024 -4.012 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.674 -5.194 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.915 -5.036 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.876 -2.012 -1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.740 -2.977 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.664 -1.658 -3.684 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.858 -4.817 -5.126 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.929 -5.765 -5.401 1.00 0.00 C ATOM 1584 C ALA A 107 -11.600 -6.652 -6.605 1.00 0.00 C ATOM 1585 O ALA A 107 -11.677 -7.876 -6.502 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.244 -5.008 -5.607 1.00 0.00 C ATOM 0 H ALA A 107 -11.168 -3.846 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.036 -6.428 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.045 -5.719 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.483 -4.443 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.142 -4.323 -6.449 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.235 -6.049 -7.738 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.863 -6.779 -8.942 1.00 0.00 C ATOM 1594 C LYS A 108 -9.722 -7.739 -8.638 1.00 0.00 C ATOM 1595 O LYS A 108 -9.887 -8.956 -8.652 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.440 -5.779 -10.040 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.550 -6.400 -11.137 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.806 -5.832 -12.535 1.00 0.00 C ATOM 1599 CE LYS A 108 -10.956 -6.590 -13.211 1.00 0.00 C ATOM 1600 NZ LYS A 108 -10.558 -7.963 -13.588 1.00 0.00 N ATOM 0 H LYS A 108 -11.190 -5.035 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.719 -7.356 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.334 -5.362 -10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.905 -4.950 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.504 -6.241 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.713 -7.478 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.050 -4.772 -12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.903 -5.912 -13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -11.811 -6.631 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.277 -6.047 -14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.349 -8.433 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.736 -7.924 -14.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.308 -8.499 -12.733 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.564 -7.154 -8.358 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.303 -7.867 -8.226 1.00 0.00 C ATOM 1616 C HIS A 109 -7.340 -8.898 -7.094 1.00 0.00 C ATOM 1617 O HIS A 109 -6.578 -9.863 -7.130 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.162 -6.846 -8.121 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.985 -6.074 -9.413 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.371 -6.646 -10.526 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.374 -4.803 -9.748 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.477 -5.733 -11.496 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.084 -4.612 -11.082 1.00 0.00 N ATOM 0 H HIS A 109 -8.475 -6.148 -8.213 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.119 -8.467 -9.117 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.368 -6.151 -7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.234 -7.361 -7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.827 -4.080 -9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.114 -5.882 -12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.290 -3.784 -11.641 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.214 -8.725 -6.094 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.426 -9.735 -5.065 1.00 0.00 C ATOM 1633 C ALA A 110 -8.944 -11.025 -5.707 1.00 0.00 C ATOM 1634 O ALA A 110 -8.540 -12.115 -5.306 1.00 0.00 O ATOM 1635 CB ALA A 110 -9.413 -9.228 -4.010 1.00 0.00 C ATOM 0 H ALA A 110 -8.786 -7.888 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.477 -9.941 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.559 -9.995 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.016 -8.326 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.368 -9.001 -4.484 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.846 -10.903 -6.687 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.411 -12.036 -7.403 1.00 0.00 C ATOM 1643 C ALA A 111 -9.472 -12.441 -8.537 1.00 0.00 C ATOM 1644 O ALA A 111 -8.940 -13.550 -8.541 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.806 -11.673 -7.922 1.00 0.00 C ATOM 0 H ALA A 111 -10.204 -10.002 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.517 -12.889 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.227 -12.523 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.452 -11.418 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.733 -10.819 -8.596 1.00 0.00 H new ATOM 1651 N ALA A 112 -9.268 -11.539 -9.493 1.00 0.00 N ATOM 1652 CA ALA A 112 -8.419 -11.719 -10.658 1.00 0.00 C ATOM 1653 C ALA A 112 -8.210 -10.355 -11.310 1.00 0.00 C ATOM 1654 O ALA A 112 -9.229 -9.768 -11.739 1.00 0.00 O ATOM 1655 CB ALA A 112 -9.067 -12.698 -11.644 1.00 0.00 C ATOM 1656 OXT ALA A 112 -7.040 -9.920 -11.354 1.00 0.00 O ATOM 0 H ALA A 112 -9.713 -10.621 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.457 -12.138 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.419 -12.823 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.211 -13.663 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.032 -12.306 -11.965 1.00 0.00 H new TER 1662 ALA A 112