USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.0309 (180deg=-0.0974) USER MOD Single : A 5 MET CE :methyl 164:sc= -6.19! (180deg=-7.08!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.26) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.937 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.548 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0463 (180deg=-0.293) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -80:sc= 0.409 USER MOD Single : A 36 THR OG1 : rot -57:sc= -0.158 USER MOD Single : A 43 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= -0.652 (180deg=-2.23) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.294 F(o=-0.92,f=-0.29) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0.237 (180deg=0.193) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0.05 (180deg=-0.159) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -81:sc= 0.036 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -161:sc= -0.0368 (180deg=-0.389) USER MOD Single : A 74 MET CE :methyl -160:sc= -0.706 (180deg=-1.93!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 148:sc= 0.633 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.172 0.234 -0.472 1.00 0.00 N ATOM 2 CA MET A 1 1.738 -0.869 -1.241 1.00 0.00 C ATOM 3 C MET A 1 3.252 -0.931 -1.069 1.00 0.00 C ATOM 4 O MET A 1 3.866 -0.001 -0.547 1.00 0.00 O ATOM 5 CB MET A 1 1.387 -0.718 -2.722 1.00 0.00 C ATOM 6 CG MET A 1 1.234 0.728 -3.167 1.00 0.00 C ATOM 7 SD MET A 1 2.750 1.682 -2.960 1.00 0.00 S ATOM 8 CE MET A 1 2.334 3.176 -3.857 1.00 0.00 C ATOM 0 H1 MET A 1 0.157 0.320 -0.683 1.00 0.00 H new ATOM 0 H2 MET A 1 1.300 0.051 0.544 1.00 0.00 H new ATOM 0 H3 MET A 1 1.655 1.119 -0.727 1.00 0.00 H new ATOM 0 HA MET A 1 1.309 -1.798 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.164 -1.194 -3.321 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.458 -1.251 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.934 0.752 -4.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.433 1.197 -2.596 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.175 3.868 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.113 2.928 -4.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.460 3.642 -3.402 1.00 0.00 H new ATOM 18 N ALA A 2 3.849 -2.033 -1.511 1.00 0.00 N ATOM 19 CA ALA A 2 5.291 -2.216 -1.406 1.00 0.00 C ATOM 20 C ALA A 2 6.037 -1.171 -2.229 1.00 0.00 C ATOM 21 O ALA A 2 5.558 -0.732 -3.276 1.00 0.00 O ATOM 22 CB ALA A 2 5.680 -3.617 -1.852 1.00 0.00 C ATOM 0 H ALA A 2 3.356 -2.813 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 2 5.573 -2.089 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.760 -3.739 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.182 -4.352 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.378 -3.766 -2.889 1.00 0.00 H new ATOM 28 N LEU A 3 7.212 -0.776 -1.751 1.00 0.00 N ATOM 29 CA LEU A 3 8.024 0.219 -2.442 1.00 0.00 C ATOM 30 C LEU A 3 9.452 -0.282 -2.634 1.00 0.00 C ATOM 31 O LEU A 3 10.050 -0.884 -1.742 1.00 0.00 O ATOM 32 CB LEU A 3 8.034 1.533 -1.658 1.00 0.00 C ATOM 33 CG LEU A 3 6.722 1.914 -0.971 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.634 1.269 0.404 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.597 3.426 -0.862 1.00 0.00 C ATOM 0 H LEU A 3 7.624 -1.130 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 3 7.584 0.392 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.815 1.474 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.311 2.337 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 3 5.895 1.544 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.694 1.551 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.678 0.185 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.467 1.609 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.657 3.679 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.429 3.819 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.615 3.865 -1.859 1.00 0.00 H new ATOM 47 N PRO A 4 10.014 -0.027 -3.825 1.00 0.00 N ATOM 48 CA PRO A 4 11.379 -0.442 -4.161 1.00 0.00 C ATOM 49 C PRO A 4 12.431 0.346 -3.387 1.00 0.00 C ATOM 50 O PRO A 4 13.059 1.257 -3.925 1.00 0.00 O ATOM 51 CB PRO A 4 11.482 -0.142 -5.659 1.00 0.00 C ATOM 52 CG PRO A 4 10.486 0.939 -5.898 1.00 0.00 C ATOM 53 CD PRO A 4 9.360 0.685 -4.935 1.00 0.00 C ATOM 0 HA PRO A 4 11.562 -1.486 -3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.488 0.179 -5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.258 -1.026 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.928 1.921 -5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.130 0.921 -6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.900 1.615 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.571 0.084 -5.388 1.00 0.00 H new ATOM 61 N MET A 5 12.619 -0.013 -2.121 1.00 0.00 N ATOM 62 CA MET A 5 13.596 0.660 -1.273 1.00 0.00 C ATOM 63 C MET A 5 14.588 -0.340 -0.688 1.00 0.00 C ATOM 64 O MET A 5 14.394 -1.552 -0.788 1.00 0.00 O ATOM 65 CB MET A 5 12.891 1.416 -0.146 1.00 0.00 C ATOM 66 CG MET A 5 11.453 1.787 -0.469 1.00 0.00 C ATOM 67 SD MET A 5 10.661 2.719 0.856 1.00 0.00 S ATOM 68 CE MET A 5 9.954 1.391 1.828 1.00 0.00 C ATOM 0 H MET A 5 12.108 -0.766 -1.660 1.00 0.00 H new ATOM 0 HA MET A 5 14.145 1.372 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.906 0.804 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.451 2.325 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.431 2.376 -1.386 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.882 0.879 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.682 1.767 2.814 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.065 1.007 1.328 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.685 0.589 1.935 1.00 0.00 H new ATOM 78 N ILE A 6 15.651 0.174 -0.079 1.00 0.00 N ATOM 79 CA ILE A 6 16.672 -0.675 0.522 1.00 0.00 C ATOM 80 C ILE A 6 16.692 -0.520 2.039 1.00 0.00 C ATOM 81 O ILE A 6 16.581 0.589 2.562 1.00 0.00 O ATOM 82 CB ILE A 6 18.071 -0.352 -0.034 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.177 -0.795 -1.495 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.144 -1.026 0.808 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.527 0.165 -2.466 1.00 0.00 C ATOM 0 H ILE A 6 15.828 1.175 0.011 1.00 0.00 H new ATOM 0 HA ILE A 6 16.417 -1.704 0.267 1.00 0.00 H new ATOM 0 HB ILE A 6 18.224 0.726 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.229 -0.907 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.715 -1.776 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.127 -0.788 0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.079 -0.668 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.996 -2.106 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.641 -0.213 -3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.467 0.259 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.004 1.142 -2.386 1.00 0.00 H new ATOM 97 N VAL A 7 16.837 -1.639 2.741 1.00 0.00 N ATOM 98 CA VAL A 7 16.875 -1.628 4.199 1.00 0.00 C ATOM 99 C VAL A 7 18.304 -1.769 4.712 1.00 0.00 C ATOM 100 O VAL A 7 19.074 -2.592 4.218 1.00 0.00 O ATOM 101 CB VAL A 7 16.014 -2.759 4.792 1.00 0.00 C ATOM 102 CG1 VAL A 7 16.723 -4.098 4.654 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.683 -2.469 6.248 1.00 0.00 C ATOM 0 H VAL A 7 16.930 -2.565 2.324 1.00 0.00 H new ATOM 0 HA VAL A 7 16.470 -0.668 4.519 1.00 0.00 H new ATOM 0 HB VAL A 7 15.079 -2.811 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.100 -4.885 5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.904 -4.307 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 7 17.674 -4.062 5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.074 -3.278 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.606 -2.389 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.131 -1.531 6.316 1.00 0.00 H new ATOM 113 N LYS A 8 18.651 -0.961 5.708 1.00 0.00 N ATOM 114 CA LYS A 8 19.987 -0.995 6.291 1.00 0.00 C ATOM 115 C LYS A 8 19.918 -0.915 7.813 1.00 0.00 C ATOM 116 O LYS A 8 20.349 0.071 8.411 1.00 0.00 O ATOM 117 CB LYS A 8 20.834 0.157 5.747 1.00 0.00 C ATOM 118 CG LYS A 8 20.676 0.375 4.252 1.00 0.00 C ATOM 119 CD LYS A 8 19.597 1.401 3.949 1.00 0.00 C ATOM 120 CE LYS A 8 20.138 2.820 4.033 1.00 0.00 C ATOM 121 NZ LYS A 8 20.913 3.192 2.817 1.00 0.00 N ATOM 0 H LYS A 8 18.025 -0.274 6.129 1.00 0.00 H new ATOM 0 HA LYS A 8 20.453 -1.941 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.563 1.074 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.883 -0.039 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.624 0.707 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.426 -0.570 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.194 1.223 2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.773 1.282 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.310 3.517 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.775 2.914 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.264 4.166 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.718 2.543 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.299 3.127 1.980 1.00 0.00 H new ATOM 135 N TRP A 9 19.377 -1.958 8.431 1.00 0.00 N ATOM 136 CA TRP A 9 19.254 -2.005 9.884 1.00 0.00 C ATOM 137 C TRP A 9 20.227 -3.017 10.480 1.00 0.00 C ATOM 138 O TRP A 9 20.202 -4.196 10.131 1.00 0.00 O ATOM 139 CB TRP A 9 17.821 -2.361 10.284 1.00 0.00 C ATOM 140 CG TRP A 9 17.523 -2.091 11.728 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.979 -2.962 12.628 1.00 0.00 C ATOM 142 CD2 TRP A 9 17.750 -0.868 12.436 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.854 -2.353 13.854 1.00 0.00 N ATOM 144 CE2 TRP A 9 17.322 -1.069 13.763 1.00 0.00 C ATOM 145 CE3 TRP A 9 18.277 0.376 12.080 1.00 0.00 C ATOM 146 CZ2 TRP A 9 17.403 -0.071 14.730 1.00 0.00 C ATOM 147 CZ3 TRP A 9 18.356 1.366 13.041 1.00 0.00 C ATOM 148 CH2 TRP A 9 17.922 1.138 14.353 1.00 0.00 C ATOM 0 H TRP A 9 19.017 -2.782 7.950 1.00 0.00 H new ATOM 0 HA TRP A 9 19.499 -1.018 10.277 1.00 0.00 H new ATOM 0 HB2 TRP A 9 17.127 -1.793 9.665 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.645 -3.416 10.075 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.690 -3.979 12.409 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.474 -2.787 14.695 1.00 0.00 H new ATOM 0 HE3 TRP A 9 18.617 0.561 11.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 17.068 -0.245 15.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.759 2.332 12.776 1.00 0.00 H new ATOM 0 HH2 TRP A 9 17.998 1.932 15.081 1.00 0.00 H new ATOM 159 N GLY A 10 21.083 -2.547 11.382 1.00 0.00 N ATOM 160 CA GLY A 10 22.052 -3.425 12.012 1.00 0.00 C ATOM 161 C GLY A 10 22.848 -4.229 11.004 1.00 0.00 C ATOM 162 O GLY A 10 23.584 -3.667 10.193 1.00 0.00 O ATOM 0 H GLY A 10 21.123 -1.575 11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.735 -2.831 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.535 -4.106 12.688 1.00 0.00 H new ATOM 166 N GLY A 11 22.703 -5.549 11.054 1.00 0.00 N ATOM 167 CA GLY A 11 23.422 -6.411 10.133 1.00 0.00 C ATOM 168 C GLY A 11 22.553 -6.886 8.986 1.00 0.00 C ATOM 169 O GLY A 11 23.007 -7.644 8.129 1.00 0.00 O ATOM 0 H GLY A 11 22.100 -6.038 11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 11 24.283 -5.874 9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.808 -7.275 10.674 1.00 0.00 H new ATOM 173 N GLN A 12 21.301 -6.440 8.969 1.00 0.00 N ATOM 174 CA GLN A 12 20.367 -6.827 7.918 1.00 0.00 C ATOM 175 C GLN A 12 20.335 -5.783 6.807 1.00 0.00 C ATOM 176 O GLN A 12 19.731 -4.721 6.958 1.00 0.00 O ATOM 177 CB GLN A 12 18.964 -7.015 8.498 1.00 0.00 C ATOM 178 CG GLN A 12 18.944 -7.799 9.800 1.00 0.00 C ATOM 179 CD GLN A 12 19.876 -8.995 9.776 1.00 0.00 C ATOM 180 OE1 GLN A 12 19.656 -9.953 9.035 1.00 0.00 O ATOM 181 NE2 GLN A 12 20.926 -8.944 10.587 1.00 0.00 N ATOM 0 H GLN A 12 20.910 -5.811 9.670 1.00 0.00 H new ATOM 0 HA GLN A 12 20.707 -7.772 7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.515 -6.036 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.343 -7.529 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.226 -7.140 10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.928 -8.139 9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 12 21.070 -8.130 11.185 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.589 -9.719 10.612 1.00 0.00 H new ATOM 190 N GLU A 13 20.989 -6.092 5.692 1.00 0.00 N ATOM 191 CA GLU A 13 21.035 -5.179 4.556 1.00 0.00 C ATOM 192 C GLU A 13 20.482 -5.845 3.299 1.00 0.00 C ATOM 193 O GLU A 13 21.235 -6.218 2.399 1.00 0.00 O ATOM 194 CB GLU A 13 22.470 -4.710 4.308 1.00 0.00 C ATOM 195 CG GLU A 13 22.560 -3.410 3.528 1.00 0.00 C ATOM 196 CD GLU A 13 23.826 -3.312 2.700 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.872 -2.919 3.260 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.773 -3.628 1.493 1.00 0.00 O ATOM 0 H GLU A 13 21.494 -6.967 5.551 1.00 0.00 H new ATOM 0 HA GLU A 13 20.413 -4.315 4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.973 -4.584 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 13 23.008 -5.487 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.694 -3.324 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 13 22.519 -2.571 4.222 1.00 0.00 H new ATOM 205 N TYR A 14 19.163 -5.992 3.246 1.00 0.00 N ATOM 206 CA TYR A 14 18.509 -6.616 2.103 1.00 0.00 C ATOM 207 C TYR A 14 17.798 -5.573 1.246 1.00 0.00 C ATOM 208 O TYR A 14 16.978 -4.800 1.742 1.00 0.00 O ATOM 209 CB TYR A 14 17.508 -7.673 2.574 1.00 0.00 C ATOM 210 CG TYR A 14 16.480 -8.042 1.529 1.00 0.00 C ATOM 211 CD1 TYR A 14 16.776 -8.962 0.531 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.213 -7.471 1.540 1.00 0.00 C ATOM 213 CE1 TYR A 14 15.840 -9.303 -0.427 1.00 0.00 C ATOM 214 CE2 TYR A 14 14.271 -7.807 0.587 1.00 0.00 C ATOM 215 CZ TYR A 14 14.589 -8.723 -0.394 1.00 0.00 C ATOM 216 OH TYR A 14 13.653 -9.058 -1.345 1.00 0.00 O ATOM 0 H TYR A 14 18.526 -5.687 3.982 1.00 0.00 H new ATOM 0 HA TYR A 14 19.276 -7.097 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.052 -8.570 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.995 -7.305 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.754 -9.419 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.961 -6.753 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.087 -10.019 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.291 -7.355 0.610 1.00 0.00 H new ATOM 0 HH TYR A 14 13.803 -9.980 -1.642 1.00 0.00 H new ATOM 226 N SER A 15 18.118 -5.558 -0.044 1.00 0.00 N ATOM 227 CA SER A 15 17.513 -4.608 -0.971 1.00 0.00 C ATOM 228 C SER A 15 16.055 -4.965 -1.239 1.00 0.00 C ATOM 229 O SER A 15 15.759 -5.955 -1.908 1.00 0.00 O ATOM 230 CB SER A 15 18.294 -4.579 -2.286 1.00 0.00 C ATOM 231 OG SER A 15 17.514 -4.022 -3.330 1.00 0.00 O ATOM 0 H SER A 15 18.793 -6.193 -0.471 1.00 0.00 H new ATOM 0 HA SER A 15 17.548 -3.619 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.206 -3.996 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.598 -5.591 -2.555 1.00 0.00 H new ATOM 0 HG SER A 15 18.036 -4.013 -4.159 1.00 0.00 H new ATOM 237 N VAL A 16 15.146 -4.150 -0.713 1.00 0.00 N ATOM 238 CA VAL A 16 13.717 -4.378 -0.895 1.00 0.00 C ATOM 239 C VAL A 16 13.205 -3.678 -2.149 1.00 0.00 C ATOM 240 O VAL A 16 12.168 -3.014 -2.124 1.00 0.00 O ATOM 241 CB VAL A 16 12.910 -3.885 0.320 1.00 0.00 C ATOM 242 CG1 VAL A 16 11.481 -4.403 0.259 1.00 0.00 C ATOM 243 CG2 VAL A 16 13.585 -4.311 1.615 1.00 0.00 C ATOM 0 H VAL A 16 15.374 -3.326 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 16 13.579 -5.454 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 16 12.877 -2.796 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.927 -4.044 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.002 -4.044 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.489 -5.493 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.002 -3.954 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.650 -5.398 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 16 14.588 -3.886 1.660 1.00 0.00 H new ATOM 253 N THR A 17 13.939 -3.830 -3.247 1.00 0.00 N ATOM 254 CA THR A 17 13.560 -3.212 -4.512 1.00 0.00 C ATOM 255 C THR A 17 12.338 -3.896 -5.113 1.00 0.00 C ATOM 256 O THR A 17 11.796 -4.841 -4.538 1.00 0.00 O ATOM 257 CB THR A 17 14.715 -3.263 -5.530 1.00 0.00 C ATOM 258 OG1 THR A 17 14.373 -2.506 -6.696 1.00 0.00 O ATOM 259 CG2 THR A 17 15.027 -4.698 -5.924 1.00 0.00 C ATOM 0 H THR A 17 14.800 -4.376 -3.286 1.00 0.00 H new ATOM 0 HA THR A 17 13.321 -2.171 -4.296 1.00 0.00 H new ATOM 0 HB THR A 17 15.601 -2.831 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.113 -2.542 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.846 -4.708 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.315 -5.264 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.144 -5.152 -6.373 1.00 0.00 H new ATOM 267 N THR A 18 11.907 -3.414 -6.275 1.00 0.00 N ATOM 268 CA THR A 18 10.748 -3.978 -6.954 1.00 0.00 C ATOM 269 C THR A 18 11.162 -5.072 -7.932 1.00 0.00 C ATOM 270 O THR A 18 10.316 -5.761 -8.503 1.00 0.00 O ATOM 271 CB THR A 18 9.961 -2.895 -7.716 1.00 0.00 C ATOM 272 OG1 THR A 18 10.866 -1.948 -8.295 1.00 0.00 O ATOM 273 CG2 THR A 18 8.992 -2.177 -6.788 1.00 0.00 C ATOM 0 H THR A 18 12.344 -2.634 -6.765 1.00 0.00 H new ATOM 0 HA THR A 18 10.108 -4.407 -6.183 1.00 0.00 H new ATOM 0 HB THR A 18 9.389 -3.381 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.361 -1.182 -8.640 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.447 -1.417 -7.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.286 -2.896 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.547 -1.703 -5.978 1.00 0.00 H new ATOM 281 N LEU A 19 12.468 -5.227 -8.121 1.00 0.00 N ATOM 282 CA LEU A 19 12.995 -6.238 -9.030 1.00 0.00 C ATOM 283 C LEU A 19 12.556 -5.963 -10.464 1.00 0.00 C ATOM 284 O LEU A 19 11.975 -4.917 -10.756 1.00 0.00 O ATOM 285 CB LEU A 19 12.529 -7.631 -8.601 1.00 0.00 C ATOM 286 CG LEU A 19 12.777 -8.000 -7.138 1.00 0.00 C ATOM 287 CD1 LEU A 19 11.589 -7.600 -6.277 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.057 -9.490 -7.004 1.00 0.00 C ATOM 0 H LEU A 19 13.181 -4.665 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 19 14.083 -6.196 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.460 -7.712 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.027 -8.369 -9.230 1.00 0.00 H new ATOM 0 HG LEU A 19 13.653 -7.453 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.784 -7.871 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.434 -6.523 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.696 -8.119 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.231 -9.735 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.201 -10.056 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.940 -9.748 -7.589 1.00 0.00 H new ATOM 300 N SER A 20 12.836 -6.908 -11.356 1.00 0.00 N ATOM 301 CA SER A 20 12.472 -6.766 -12.761 1.00 0.00 C ATOM 302 C SER A 20 10.965 -6.910 -12.948 1.00 0.00 C ATOM 303 O SER A 20 10.278 -7.494 -12.111 1.00 0.00 O ATOM 304 CB SER A 20 13.205 -7.810 -13.607 1.00 0.00 C ATOM 305 OG SER A 20 14.544 -7.418 -13.854 1.00 0.00 O ATOM 0 H SER A 20 13.314 -7.780 -11.131 1.00 0.00 H new ATOM 0 HA SER A 20 12.768 -5.770 -13.090 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.193 -8.772 -13.094 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.683 -7.947 -14.554 1.00 0.00 H new ATOM 0 HG SER A 20 14.991 -8.102 -14.395 1.00 0.00 H new ATOM 311 N GLU A 21 10.459 -6.371 -14.053 1.00 0.00 N ATOM 312 CA GLU A 21 9.033 -6.438 -14.350 1.00 0.00 C ATOM 313 C GLU A 21 8.573 -7.886 -14.490 1.00 0.00 C ATOM 314 O GLU A 21 7.438 -8.224 -14.152 1.00 0.00 O ATOM 315 CB GLU A 21 8.720 -5.667 -15.634 1.00 0.00 C ATOM 316 CG GLU A 21 9.576 -6.083 -16.818 1.00 0.00 C ATOM 317 CD GLU A 21 9.134 -5.433 -18.115 1.00 0.00 C ATOM 318 OE1 GLU A 21 7.921 -5.457 -18.408 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.003 -4.900 -18.837 1.00 0.00 O ATOM 0 H GLU A 21 11.015 -5.884 -14.756 1.00 0.00 H new ATOM 0 HA GLU A 21 8.494 -5.982 -13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.670 -5.811 -15.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.861 -4.602 -15.451 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.615 -5.820 -16.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.536 -7.167 -16.927 1.00 0.00 H new ATOM 326 N ASP A 22 9.463 -8.737 -14.989 1.00 0.00 N ATOM 327 CA ASP A 22 9.150 -10.150 -15.173 1.00 0.00 C ATOM 328 C ASP A 22 8.678 -10.777 -13.865 1.00 0.00 C ATOM 329 O ASP A 22 7.879 -11.713 -13.867 1.00 0.00 O ATOM 330 CB ASP A 22 10.373 -10.900 -15.701 1.00 0.00 C ATOM 331 CG ASP A 22 10.904 -10.307 -16.991 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.383 -10.666 -18.067 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.842 -9.485 -16.925 1.00 0.00 O ATOM 0 H ASP A 22 10.406 -8.473 -15.273 1.00 0.00 H new ATOM 0 HA ASP A 22 8.344 -10.226 -15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.159 -10.883 -14.946 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.111 -11.945 -15.866 1.00 0.00 H new ATOM 338 N ASP A 23 9.179 -10.255 -12.751 1.00 0.00 N ATOM 339 CA ASP A 23 8.809 -10.764 -11.435 1.00 0.00 C ATOM 340 C ASP A 23 7.776 -9.858 -10.773 1.00 0.00 C ATOM 341 O ASP A 23 7.389 -8.829 -11.328 1.00 0.00 O ATOM 342 CB ASP A 23 10.046 -10.883 -10.544 1.00 0.00 C ATOM 343 CG ASP A 23 11.131 -11.737 -11.171 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.939 -12.968 -11.260 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.172 -11.175 -11.572 1.00 0.00 O ATOM 0 H ASP A 23 9.842 -9.480 -12.733 1.00 0.00 H new ATOM 0 HA ASP A 23 8.369 -11.753 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.442 -9.888 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.759 -11.312 -9.584 1.00 0.00 H new ATOM 350 N THR A 24 7.330 -10.247 -9.582 1.00 0.00 N ATOM 351 CA THR A 24 6.340 -9.472 -8.846 1.00 0.00 C ATOM 352 C THR A 24 6.672 -9.428 -7.358 1.00 0.00 C ATOM 353 O THR A 24 7.639 -10.044 -6.909 1.00 0.00 O ATOM 354 CB THR A 24 4.925 -10.051 -9.028 1.00 0.00 C ATOM 355 OG1 THR A 24 5.004 -11.434 -9.389 1.00 0.00 O ATOM 356 CG2 THR A 24 4.160 -9.285 -10.097 1.00 0.00 C ATOM 0 H THR A 24 7.640 -11.095 -9.107 1.00 0.00 H new ATOM 0 HA THR A 24 6.365 -8.460 -9.251 1.00 0.00 H new ATOM 0 HB THR A 24 4.392 -9.953 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.232 -11.672 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.163 -9.712 -10.208 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.076 -8.238 -9.805 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.692 -9.355 -11.046 1.00 0.00 H new ATOM 364 N VAL A 25 5.863 -8.698 -6.597 1.00 0.00 N ATOM 365 CA VAL A 25 6.070 -8.575 -5.159 1.00 0.00 C ATOM 366 C VAL A 25 5.843 -9.909 -4.456 1.00 0.00 C ATOM 367 O VAL A 25 6.387 -10.156 -3.379 1.00 0.00 O ATOM 368 CB VAL A 25 5.133 -7.518 -4.545 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.223 -7.542 -3.027 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.464 -6.135 -5.086 1.00 0.00 C ATOM 0 H VAL A 25 5.058 -8.183 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 25 7.104 -8.261 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 25 4.108 -7.758 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.554 -6.789 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.933 -8.527 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.247 -7.328 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.792 -5.400 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.494 -5.883 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.343 -6.129 -6.169 1.00 0.00 H new ATOM 380 N LEU A 26 5.038 -10.767 -5.073 1.00 0.00 N ATOM 381 CA LEU A 26 4.738 -12.078 -4.506 1.00 0.00 C ATOM 382 C LEU A 26 6.019 -12.869 -4.258 1.00 0.00 C ATOM 383 O LEU A 26 6.158 -13.538 -3.235 1.00 0.00 O ATOM 384 CB LEU A 26 3.815 -12.860 -5.442 1.00 0.00 C ATOM 385 CG LEU A 26 4.412 -13.264 -6.791 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.054 -14.639 -6.701 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.343 -13.242 -7.874 1.00 0.00 C ATOM 0 H LEU A 26 4.581 -10.579 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 26 4.235 -11.928 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.489 -13.763 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.924 -12.259 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 26 5.185 -12.542 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.473 -14.909 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.848 -14.622 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.302 -15.374 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.785 -13.532 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.548 -13.941 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.929 -12.237 -7.957 1.00 0.00 H new ATOM 399 N ASP A 27 6.952 -12.784 -5.200 1.00 0.00 N ATOM 400 CA ASP A 27 8.223 -13.490 -5.082 1.00 0.00 C ATOM 401 C ASP A 27 9.004 -13.002 -3.866 1.00 0.00 C ATOM 402 O ASP A 27 9.156 -13.725 -2.881 1.00 0.00 O ATOM 403 CB ASP A 27 9.056 -13.298 -6.350 1.00 0.00 C ATOM 404 CG ASP A 27 10.281 -14.192 -6.379 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.140 -15.378 -6.740 1.00 0.00 O ATOM 406 OD2 ASP A 27 11.379 -13.704 -6.039 1.00 0.00 O ATOM 0 H ASP A 27 6.852 -12.234 -6.053 1.00 0.00 H new ATOM 0 HA ASP A 27 8.011 -14.551 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.437 -13.506 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.368 -12.256 -6.422 1.00 0.00 H new ATOM 411 N LEU A 28 9.500 -11.772 -3.942 1.00 0.00 N ATOM 412 CA LEU A 28 10.267 -11.186 -2.848 1.00 0.00 C ATOM 413 C LEU A 28 9.520 -11.323 -1.525 1.00 0.00 C ATOM 414 O LEU A 28 10.132 -11.429 -0.462 1.00 0.00 O ATOM 415 CB LEU A 28 10.556 -9.712 -3.134 1.00 0.00 C ATOM 416 CG LEU A 28 9.395 -8.744 -2.906 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.473 -8.134 -1.514 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.392 -7.654 -3.968 1.00 0.00 C ATOM 0 H LEU A 28 9.385 -11.161 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 28 11.211 -11.726 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.392 -9.399 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.881 -9.621 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 28 8.462 -9.302 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.638 -7.448 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.425 -8.926 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.412 -7.591 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.559 -6.974 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.329 -7.099 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.286 -8.107 -4.954 1.00 0.00 H new ATOM 430 N LYS A 29 8.193 -11.322 -1.598 1.00 0.00 N ATOM 431 CA LYS A 29 7.361 -11.449 -0.408 1.00 0.00 C ATOM 432 C LYS A 29 7.723 -12.707 0.377 1.00 0.00 C ATOM 433 O LYS A 29 8.097 -12.632 1.547 1.00 0.00 O ATOM 434 CB LYS A 29 5.881 -11.486 -0.796 1.00 0.00 C ATOM 435 CG LYS A 29 5.165 -10.162 -0.590 1.00 0.00 C ATOM 436 CD LYS A 29 3.714 -10.238 -1.033 1.00 0.00 C ATOM 437 CE LYS A 29 2.914 -9.046 -0.531 1.00 0.00 C ATOM 438 NZ LYS A 29 2.754 -9.070 0.950 1.00 0.00 N ATOM 0 H LYS A 29 7.671 -11.235 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 29 7.542 -10.581 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.796 -11.777 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.379 -12.256 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.211 -9.882 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.677 -9.380 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.666 -10.277 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.267 -11.160 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.412 -8.123 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.931 -9.043 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.962 -8.455 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.561 -10.043 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.628 -8.729 1.399 1.00 0.00 H new ATOM 452 N GLN A 30 7.610 -13.859 -0.276 1.00 0.00 N ATOM 453 CA GLN A 30 7.926 -15.131 0.362 1.00 0.00 C ATOM 454 C GLN A 30 9.366 -15.146 0.863 1.00 0.00 C ATOM 455 O GLN A 30 9.682 -15.802 1.856 1.00 0.00 O ATOM 456 CB GLN A 30 7.702 -16.286 -0.616 1.00 0.00 C ATOM 457 CG GLN A 30 8.932 -16.633 -1.439 1.00 0.00 C ATOM 458 CD GLN A 30 8.678 -17.760 -2.421 1.00 0.00 C ATOM 459 OE1 GLN A 30 8.330 -18.874 -2.029 1.00 0.00 O ATOM 460 NE2 GLN A 30 8.850 -17.475 -3.707 1.00 0.00 N ATOM 0 H GLN A 30 7.302 -13.938 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 30 7.262 -15.254 1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.388 -17.168 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.885 -16.027 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.261 -15.748 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.745 -16.916 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.139 -16.538 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.693 -18.193 -4.414 1.00 0.00 H new ATOM 469 N PHE A 31 10.236 -14.420 0.169 1.00 0.00 N ATOM 470 CA PHE A 31 11.644 -14.350 0.543 1.00 0.00 C ATOM 471 C PHE A 31 11.820 -13.610 1.866 1.00 0.00 C ATOM 472 O PHE A 31 12.717 -13.922 2.651 1.00 0.00 O ATOM 473 CB PHE A 31 12.451 -13.654 -0.555 1.00 0.00 C ATOM 474 CG PHE A 31 13.077 -14.605 -1.534 1.00 0.00 C ATOM 475 CD1 PHE A 31 14.004 -15.544 -1.112 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.737 -14.560 -2.877 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.581 -16.422 -2.011 1.00 0.00 C ATOM 478 CE2 PHE A 31 13.311 -15.436 -3.780 1.00 0.00 C ATOM 479 CZ PHE A 31 14.235 -16.366 -3.347 1.00 0.00 C ATOM 0 H PHE A 31 9.991 -13.872 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 31 12.012 -15.369 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.798 -12.967 -1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.234 -13.053 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.279 -15.591 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.016 -13.833 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.301 -17.151 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 31 13.037 -15.393 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.686 -17.049 -4.052 1.00 0.00 H new ATOM 489 N LEU A 32 10.958 -12.629 2.107 1.00 0.00 N ATOM 490 CA LEU A 32 11.017 -11.843 3.335 1.00 0.00 C ATOM 491 C LEU A 32 10.573 -12.673 4.535 1.00 0.00 C ATOM 492 O LEU A 32 11.088 -12.511 5.641 1.00 0.00 O ATOM 493 CB LEU A 32 10.138 -10.597 3.209 1.00 0.00 C ATOM 494 CG LEU A 32 10.611 -9.540 2.210 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.728 -8.304 2.283 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.065 -9.175 2.469 1.00 0.00 C ATOM 0 H LEU A 32 10.210 -12.358 1.469 1.00 0.00 H new ATOM 0 HA LEU A 32 12.051 -11.536 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.134 -10.912 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.060 -10.131 4.191 1.00 0.00 H new ATOM 0 HG LEU A 32 10.535 -9.957 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.080 -7.563 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.699 -8.577 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.771 -7.885 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.385 -8.422 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.166 -8.778 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.687 -10.064 2.365 1.00 0.00 H new ATOM 508 N LYS A 33 9.614 -13.566 4.308 1.00 0.00 N ATOM 509 CA LYS A 33 9.102 -14.425 5.368 1.00 0.00 C ATOM 510 C LYS A 33 10.144 -15.460 5.781 1.00 0.00 C ATOM 511 O LYS A 33 10.228 -15.841 6.949 1.00 0.00 O ATOM 512 CB LYS A 33 7.823 -15.128 4.910 1.00 0.00 C ATOM 513 CG LYS A 33 7.582 -16.462 5.596 1.00 0.00 C ATOM 514 CD LYS A 33 8.185 -17.612 4.808 1.00 0.00 C ATOM 515 CE LYS A 33 7.313 -18.856 4.882 1.00 0.00 C ATOM 516 NZ LYS A 33 7.494 -19.732 3.691 1.00 0.00 N ATOM 0 H LYS A 33 9.176 -13.713 3.398 1.00 0.00 H new ATOM 0 HA LYS A 33 8.876 -13.799 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.972 -14.474 5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.872 -15.287 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.013 -16.440 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.510 -16.623 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.310 -17.315 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.178 -17.839 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.555 -19.416 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.266 -18.562 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.883 -20.569 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.239 -19.206 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.487 -20.034 3.630 1.00 0.00 H new ATOM 530 N THR A 34 10.938 -15.912 4.814 1.00 0.00 N ATOM 531 CA THR A 34 11.974 -16.902 5.077 1.00 0.00 C ATOM 532 C THR A 34 13.280 -16.235 5.492 1.00 0.00 C ATOM 533 O THR A 34 14.091 -16.825 6.206 1.00 0.00 O ATOM 534 CB THR A 34 12.232 -17.786 3.842 1.00 0.00 C ATOM 535 OG1 THR A 34 12.334 -16.972 2.669 1.00 0.00 O ATOM 536 CG2 THR A 34 11.116 -18.805 3.663 1.00 0.00 C ATOM 0 H THR A 34 10.882 -15.608 3.842 1.00 0.00 H new ATOM 0 HA THR A 34 11.613 -17.527 5.894 1.00 0.00 H new ATOM 0 HB THR A 34 13.170 -18.320 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.436 -16.733 2.358 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.320 -19.418 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.061 -19.443 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.167 -18.286 3.530 1.00 0.00 H new ATOM 544 N LEU A 35 13.478 -15.001 5.040 1.00 0.00 N ATOM 545 CA LEU A 35 14.687 -14.252 5.365 1.00 0.00 C ATOM 546 C LEU A 35 14.564 -13.587 6.732 1.00 0.00 C ATOM 547 O LEU A 35 15.481 -13.652 7.552 1.00 0.00 O ATOM 548 CB LEU A 35 14.959 -13.195 4.293 1.00 0.00 C ATOM 549 CG LEU A 35 16.330 -12.521 4.348 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.751 -12.053 2.964 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.313 -11.354 5.325 1.00 0.00 C ATOM 0 H LEU A 35 12.817 -14.498 4.448 1.00 0.00 H new ATOM 0 HA LEU A 35 15.522 -14.952 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.844 -13.661 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.193 -12.423 4.370 1.00 0.00 H new ATOM 0 HG LEU A 35 17.058 -13.252 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.729 -11.576 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.805 -12.909 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.021 -11.338 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.297 -10.887 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.572 -10.622 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.057 -11.717 6.321 1.00 0.00 H new ATOM 563 N THR A 36 13.423 -12.947 6.973 1.00 0.00 N ATOM 564 CA THR A 36 13.180 -12.271 8.241 1.00 0.00 C ATOM 565 C THR A 36 12.037 -12.931 9.005 1.00 0.00 C ATOM 566 O THR A 36 12.111 -13.106 10.221 1.00 0.00 O ATOM 567 CB THR A 36 12.848 -10.782 8.028 1.00 0.00 C ATOM 568 OG1 THR A 36 11.445 -10.622 7.790 1.00 0.00 O ATOM 569 CG2 THR A 36 13.635 -10.214 6.857 1.00 0.00 C ATOM 0 H THR A 36 12.653 -12.883 6.307 1.00 0.00 H new ATOM 0 HA THR A 36 14.097 -12.351 8.824 1.00 0.00 H new ATOM 0 HB THR A 36 13.127 -10.238 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.179 -11.169 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.384 -9.161 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.703 -10.310 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.384 -10.763 5.949 1.00 0.00 H new ATOM 577 N GLY A 37 10.981 -13.295 8.284 1.00 0.00 N ATOM 578 CA GLY A 37 9.839 -13.932 8.912 1.00 0.00 C ATOM 579 C GLY A 37 9.357 -13.182 10.137 1.00 0.00 C ATOM 580 O GLY A 37 8.768 -13.771 11.044 1.00 0.00 O ATOM 0 H GLY A 37 10.896 -13.160 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.025 -14.004 8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.105 -14.950 9.195 1.00 0.00 H new ATOM 584 N VAL A 38 9.609 -11.877 10.167 1.00 0.00 N ATOM 585 CA VAL A 38 9.197 -11.044 11.291 1.00 0.00 C ATOM 586 C VAL A 38 8.253 -9.936 10.837 1.00 0.00 C ATOM 587 O VAL A 38 7.537 -9.345 11.647 1.00 0.00 O ATOM 588 CB VAL A 38 10.412 -10.412 11.995 1.00 0.00 C ATOM 589 CG1 VAL A 38 11.199 -9.543 11.026 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.966 -9.605 13.205 1.00 0.00 C ATOM 0 H VAL A 38 10.097 -11.374 9.426 1.00 0.00 H new ATOM 0 HA VAL A 38 8.677 -11.695 11.994 1.00 0.00 H new ATOM 0 HB VAL A 38 11.066 -11.212 12.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.054 -9.105 11.542 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.551 -10.153 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.557 -8.748 10.647 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.837 -9.166 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.291 -8.812 12.884 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.450 -10.259 13.908 1.00 0.00 H new ATOM 600 N LEU A 39 8.256 -9.659 9.538 1.00 0.00 N ATOM 601 CA LEU A 39 7.399 -8.622 8.975 1.00 0.00 C ATOM 602 C LEU A 39 5.926 -8.985 9.136 1.00 0.00 C ATOM 603 O LEU A 39 5.115 -8.193 9.618 1.00 0.00 O ATOM 604 CB LEU A 39 7.724 -8.411 7.495 1.00 0.00 C ATOM 605 CG LEU A 39 9.195 -8.556 7.104 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.409 -8.130 5.660 1.00 0.00 C ATOM 607 CD2 LEU A 39 10.078 -7.741 8.038 1.00 0.00 C ATOM 0 H LEU A 39 8.842 -10.138 8.855 1.00 0.00 H new ATOM 0 HA LEU A 39 7.588 -7.696 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.141 -9.123 6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.389 -7.414 7.209 1.00 0.00 H new ATOM 0 HG LEU A 39 9.473 -9.606 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.462 -8.240 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.806 -8.756 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.113 -7.088 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.121 -7.856 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.798 -6.689 7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.948 -8.093 9.061 1.00 0.00 H new ATOM 619 N PRO A 40 5.570 -10.212 8.727 1.00 0.00 N ATOM 620 CA PRO A 40 4.195 -10.709 8.819 1.00 0.00 C ATOM 621 C PRO A 40 3.763 -10.959 10.260 1.00 0.00 C ATOM 622 O PRO A 40 2.599 -11.256 10.525 1.00 0.00 O ATOM 623 CB PRO A 40 4.240 -12.025 8.038 1.00 0.00 C ATOM 624 CG PRO A 40 5.661 -12.466 8.122 1.00 0.00 C ATOM 625 CD PRO A 40 6.484 -11.208 8.143 1.00 0.00 C ATOM 0 HA PRO A 40 3.475 -9.990 8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.569 -12.766 8.472 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.930 -11.882 7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.833 -13.060 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.926 -13.092 7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.385 -11.327 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.805 -10.921 7.142 1.00 0.00 H new ATOM 633 N GLU A 41 4.709 -10.834 11.186 1.00 0.00 N ATOM 634 CA GLU A 41 4.425 -11.047 12.600 1.00 0.00 C ATOM 635 C GLU A 41 4.298 -9.716 13.336 1.00 0.00 C ATOM 636 O GLU A 41 3.319 -9.476 14.042 1.00 0.00 O ATOM 637 CB GLU A 41 5.525 -11.895 13.242 1.00 0.00 C ATOM 638 CG GLU A 41 5.761 -13.221 12.538 1.00 0.00 C ATOM 639 CD GLU A 41 6.732 -14.114 13.287 1.00 0.00 C ATOM 640 OE1 GLU A 41 7.887 -13.688 13.496 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.337 -15.237 13.662 1.00 0.00 O ATOM 0 H GLU A 41 5.677 -10.587 10.982 1.00 0.00 H new ATOM 0 HA GLU A 41 3.476 -11.577 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.454 -11.326 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.263 -12.087 14.282 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.810 -13.741 12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.145 -13.033 11.536 1.00 0.00 H new ATOM 648 N ARG A 42 5.296 -8.855 13.165 1.00 0.00 N ATOM 649 CA ARG A 42 5.298 -7.549 13.813 1.00 0.00 C ATOM 650 C ARG A 42 6.533 -6.746 13.415 1.00 0.00 C ATOM 651 O ARG A 42 7.656 -7.245 13.481 1.00 0.00 O ATOM 652 CB ARG A 42 5.250 -7.711 15.334 1.00 0.00 C ATOM 653 CG ARG A 42 6.329 -8.631 15.883 1.00 0.00 C ATOM 654 CD ARG A 42 6.220 -8.778 17.392 1.00 0.00 C ATOM 655 NE ARG A 42 4.976 -9.432 17.790 1.00 0.00 N ATOM 656 CZ ARG A 42 4.747 -9.890 19.016 1.00 0.00 C ATOM 657 NH1 ARG A 42 5.671 -9.766 19.958 1.00 0.00 N ATOM 658 NH2 ARG A 42 3.590 -10.474 19.301 1.00 0.00 N ATOM 0 H ARG A 42 6.113 -9.038 12.583 1.00 0.00 H new ATOM 0 HA ARG A 42 4.412 -7.007 13.484 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.350 -6.730 15.799 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.273 -8.101 15.619 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.246 -9.611 15.414 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.312 -8.236 15.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.067 -9.355 17.762 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.277 -7.794 17.857 1.00 0.00 H new ATOM 0 HE ARG A 42 4.244 -9.543 17.089 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.562 -9.318 19.743 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.492 -10.119 20.898 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.876 -10.571 18.579 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.414 -10.826 20.242 1.00 0.00 H new ATOM 672 N GLN A 43 6.315 -5.502 13.003 1.00 0.00 N ATOM 673 CA GLN A 43 7.411 -4.631 12.593 1.00 0.00 C ATOM 674 C GLN A 43 6.993 -3.165 12.655 1.00 0.00 C ATOM 675 O GLN A 43 5.857 -2.846 13.004 1.00 0.00 O ATOM 676 CB GLN A 43 7.868 -4.984 11.177 1.00 0.00 C ATOM 677 CG GLN A 43 7.008 -4.364 10.087 1.00 0.00 C ATOM 678 CD GLN A 43 5.529 -4.409 10.415 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.899 -3.375 10.638 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.966 -5.612 10.445 1.00 0.00 N ATOM 0 H GLN A 43 5.391 -5.074 12.944 1.00 0.00 H new ATOM 0 HA GLN A 43 8.241 -4.783 13.283 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.899 -4.656 11.045 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.861 -6.068 11.061 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.311 -3.328 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.184 -4.889 9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.527 -6.442 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.973 -5.705 10.659 1.00 0.00 H new ATOM 689 N LYS A 44 7.920 -2.277 12.313 1.00 0.00 N ATOM 690 CA LYS A 44 7.649 -0.844 12.329 1.00 0.00 C ATOM 691 C LYS A 44 8.421 -0.132 11.222 1.00 0.00 C ATOM 692 O LYS A 44 8.726 1.056 11.329 1.00 0.00 O ATOM 693 CB LYS A 44 8.021 -0.248 13.689 1.00 0.00 C ATOM 694 CG LYS A 44 7.497 -1.050 14.868 1.00 0.00 C ATOM 695 CD LYS A 44 7.768 -0.345 16.186 1.00 0.00 C ATOM 696 CE LYS A 44 8.099 -1.336 17.291 1.00 0.00 C ATOM 697 NZ LYS A 44 7.683 -0.834 18.629 1.00 0.00 N ATOM 0 H LYS A 44 8.866 -2.524 12.021 1.00 0.00 H new ATOM 0 HA LYS A 44 6.583 -0.700 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.106 -0.178 13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.632 0.768 13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.425 -1.209 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.966 -2.034 14.877 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.596 0.354 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.895 0.242 16.472 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.602 -2.285 17.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.171 -1.532 17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.926 -1.538 19.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.176 0.059 18.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.656 -0.671 18.635 1.00 0.00 H new ATOM 711 N LEU A 45 8.734 -0.866 10.159 1.00 0.00 N ATOM 712 CA LEU A 45 9.469 -0.304 9.031 1.00 0.00 C ATOM 713 C LEU A 45 8.823 0.992 8.551 1.00 0.00 C ATOM 714 O LEU A 45 7.634 1.226 8.776 1.00 0.00 O ATOM 715 CB LEU A 45 9.529 -1.313 7.883 1.00 0.00 C ATOM 716 CG LEU A 45 10.616 -2.383 7.986 1.00 0.00 C ATOM 717 CD1 LEU A 45 10.451 -3.191 9.264 1.00 0.00 C ATOM 718 CD2 LEU A 45 10.584 -3.295 6.769 1.00 0.00 C ATOM 0 H LEU A 45 8.490 -1.851 10.055 1.00 0.00 H new ATOM 0 HA LEU A 45 10.483 -0.081 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.562 -1.811 7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.673 -0.765 6.952 1.00 0.00 H new ATOM 0 HG LEU A 45 11.586 -1.886 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.234 -3.948 9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.525 -2.528 10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.476 -3.677 9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.365 -4.050 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.612 -3.784 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.753 -2.705 5.868 1.00 0.00 H new ATOM 730 N LEU A 46 9.612 1.830 7.888 1.00 0.00 N ATOM 731 CA LEU A 46 9.117 3.102 7.374 1.00 0.00 C ATOM 732 C LEU A 46 8.866 3.021 5.871 1.00 0.00 C ATOM 733 O LEU A 46 9.779 2.748 5.093 1.00 0.00 O ATOM 734 CB LEU A 46 10.115 4.220 7.676 1.00 0.00 C ATOM 735 CG LEU A 46 10.600 4.314 9.124 1.00 0.00 C ATOM 736 CD1 LEU A 46 9.444 4.102 10.089 1.00 0.00 C ATOM 737 CD2 LEU A 46 11.705 3.300 9.382 1.00 0.00 C ATOM 0 H LEU A 46 10.597 1.652 7.694 1.00 0.00 H new ATOM 0 HA LEU A 46 8.172 3.323 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.984 4.088 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.657 5.171 7.405 1.00 0.00 H new ATOM 0 HG LEU A 46 11.004 5.313 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.808 4.172 11.114 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.685 4.866 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.010 3.116 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.038 3.381 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.326 2.294 9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.543 3.498 8.714 1.00 0.00 H new ATOM 749 N GLY A 47 7.622 3.262 5.470 1.00 0.00 N ATOM 750 CA GLY A 47 7.273 3.213 4.062 1.00 0.00 C ATOM 751 C GLY A 47 6.767 1.849 3.637 1.00 0.00 C ATOM 752 O GLY A 47 5.619 1.709 3.214 1.00 0.00 O ATOM 0 H GLY A 47 6.849 3.490 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.508 3.962 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.146 3.475 3.465 1.00 0.00 H new ATOM 756 N LEU A 48 7.625 0.841 3.747 1.00 0.00 N ATOM 757 CA LEU A 48 7.260 -0.519 3.368 1.00 0.00 C ATOM 758 C LEU A 48 6.408 -1.175 4.450 1.00 0.00 C ATOM 759 O LEU A 48 6.521 -0.844 5.631 1.00 0.00 O ATOM 760 CB LEU A 48 8.516 -1.355 3.116 1.00 0.00 C ATOM 761 CG LEU A 48 8.301 -2.861 2.962 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.519 -3.161 1.693 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.636 -3.592 2.953 1.00 0.00 C ATOM 0 H LEU A 48 8.578 0.940 4.096 1.00 0.00 H new ATOM 0 HA LEU A 48 6.675 -0.469 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.000 -0.983 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.209 -1.190 3.941 1.00 0.00 H new ATOM 0 HG LEU A 48 7.721 -3.215 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.376 -4.238 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.548 -2.668 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.072 -2.793 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.464 -4.663 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.241 -3.234 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.160 -3.404 3.890 1.00 0.00 H new ATOM 775 N LYS A 49 5.556 -2.109 4.041 1.00 0.00 N ATOM 776 CA LYS A 49 4.687 -2.815 4.974 1.00 0.00 C ATOM 777 C LYS A 49 3.778 -1.840 5.715 1.00 0.00 C ATOM 778 O LYS A 49 4.019 -1.511 6.877 1.00 0.00 O ATOM 779 CB LYS A 49 5.523 -3.613 5.978 1.00 0.00 C ATOM 780 CG LYS A 49 5.913 -4.994 5.482 1.00 0.00 C ATOM 781 CD LYS A 49 4.751 -5.969 5.575 1.00 0.00 C ATOM 782 CE LYS A 49 4.910 -7.120 4.593 1.00 0.00 C ATOM 783 NZ LYS A 49 5.516 -8.318 5.237 1.00 0.00 N ATOM 0 H LYS A 49 5.449 -2.395 3.068 1.00 0.00 H new ATOM 0 HA LYS A 49 4.064 -3.502 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.427 -3.052 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.961 -3.715 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.252 -4.928 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.752 -5.369 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.684 -6.361 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.817 -5.444 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.936 -7.383 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.534 -6.802 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.092 -9.179 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.541 -8.324 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.339 -8.288 6.261 1.00 0.00 H new ATOM 797 N VAL A 50 2.731 -1.382 5.037 1.00 0.00 N ATOM 798 CA VAL A 50 1.784 -0.446 5.632 1.00 0.00 C ATOM 799 C VAL A 50 0.733 -1.179 6.458 1.00 0.00 C ATOM 800 O VAL A 50 0.112 -2.133 5.988 1.00 0.00 O ATOM 801 CB VAL A 50 1.078 0.399 4.555 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.397 1.605 5.183 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.068 0.833 3.484 1.00 0.00 C ATOM 0 H VAL A 50 2.517 -1.644 4.075 1.00 0.00 H new ATOM 0 HA VAL A 50 2.357 0.214 6.283 1.00 0.00 H new ATOM 0 HB VAL A 50 0.312 -0.215 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.096 2.190 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.343 1.268 5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.142 2.223 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.552 1.429 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.859 1.429 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.504 -0.048 3.013 1.00 0.00 H new ATOM 813 N LYS A 51 0.537 -0.726 7.692 1.00 0.00 N ATOM 814 CA LYS A 51 -0.440 -1.337 8.585 1.00 0.00 C ATOM 815 C LYS A 51 -1.860 -1.102 8.079 1.00 0.00 C ATOM 816 O LYS A 51 -2.275 0.037 7.871 1.00 0.00 O ATOM 817 CB LYS A 51 -0.291 -0.772 9.999 1.00 0.00 C ATOM 818 CG LYS A 51 -0.248 0.746 10.047 1.00 0.00 C ATOM 819 CD LYS A 51 -0.917 1.283 11.301 1.00 0.00 C ATOM 820 CE LYS A 51 -1.172 2.779 11.199 1.00 0.00 C ATOM 821 NZ LYS A 51 0.040 3.574 11.538 1.00 0.00 N ATOM 0 H LYS A 51 1.042 0.063 8.096 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.254 -2.411 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.122 -1.123 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.622 -1.167 10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.788 1.083 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.744 1.153 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.861 0.762 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.287 1.078 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.495 3.024 10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.986 3.055 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.176 4.588 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.334 3.360 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.810 3.330 10.883 1.00 0.00 H new ATOM 835 N GLY A 52 -2.601 -2.189 7.884 1.00 0.00 N ATOM 836 CA GLY A 52 -3.967 -2.079 7.406 1.00 0.00 C ATOM 837 C GLY A 52 -4.051 -2.046 5.893 1.00 0.00 C ATOM 838 O GLY A 52 -5.140 -2.102 5.323 1.00 0.00 O ATOM 0 H GLY A 52 -2.280 -3.143 8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.549 -2.921 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.419 -1.174 7.812 1.00 0.00 H new ATOM 842 N LYS A 53 -2.897 -1.951 5.240 1.00 0.00 N ATOM 843 CA LYS A 53 -2.843 -1.909 3.784 1.00 0.00 C ATOM 844 C LYS A 53 -1.518 -2.466 3.273 1.00 0.00 C ATOM 845 O LYS A 53 -0.686 -1.746 2.722 1.00 0.00 O ATOM 846 CB LYS A 53 -3.031 -0.474 3.287 1.00 0.00 C ATOM 847 CG LYS A 53 -4.442 0.056 3.477 1.00 0.00 C ATOM 848 CD LYS A 53 -4.695 1.287 2.624 1.00 0.00 C ATOM 849 CE LYS A 53 -4.151 2.544 3.284 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.072 3.063 4.333 1.00 0.00 N ATOM 0 H LYS A 53 -1.986 -1.902 5.697 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.651 -2.529 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.333 0.178 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.774 -0.428 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.161 -0.721 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.601 0.301 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.228 1.156 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.766 1.399 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.179 2.329 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.993 3.312 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.665 3.920 4.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.992 3.292 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.203 2.340 5.069 1.00 0.00 H new ATOM 864 N PRO A 54 -1.317 -3.780 3.456 1.00 0.00 N ATOM 865 CA PRO A 54 -0.096 -4.462 3.018 1.00 0.00 C ATOM 866 C PRO A 54 0.001 -4.560 1.499 1.00 0.00 C ATOM 867 O PRO A 54 -1.014 -4.568 0.803 1.00 0.00 O ATOM 868 CB PRO A 54 -0.228 -5.857 3.636 1.00 0.00 C ATOM 869 CG PRO A 54 -1.694 -6.058 3.807 1.00 0.00 C ATOM 870 CD PRO A 54 -2.267 -4.700 4.104 1.00 0.00 C ATOM 0 HA PRO A 54 0.802 -3.927 3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.203 -6.620 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.294 -5.918 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.138 -6.480 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.900 -6.755 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.273 -4.591 3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.335 -4.518 5.177 1.00 0.00 H new ATOM 878 N ALA A 55 1.227 -4.635 0.993 1.00 0.00 N ATOM 879 CA ALA A 55 1.456 -4.734 -0.443 1.00 0.00 C ATOM 880 C ALA A 55 0.628 -5.860 -1.054 1.00 0.00 C ATOM 881 O ALA A 55 0.026 -6.659 -0.337 1.00 0.00 O ATOM 882 CB ALA A 55 2.935 -4.949 -0.729 1.00 0.00 C ATOM 0 H ALA A 55 2.077 -4.629 1.556 1.00 0.00 H new ATOM 0 HA ALA A 55 1.142 -3.796 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.091 -5.021 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.508 -4.109 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.268 -5.871 -0.252 1.00 0.00 H new ATOM 888 N GLU A 56 0.602 -5.916 -2.382 1.00 0.00 N ATOM 889 CA GLU A 56 -0.153 -6.944 -3.088 1.00 0.00 C ATOM 890 C GLU A 56 0.736 -7.687 -4.082 1.00 0.00 C ATOM 891 O GLU A 56 1.831 -7.233 -4.410 1.00 0.00 O ATOM 892 CB GLU A 56 -1.344 -6.321 -3.819 1.00 0.00 C ATOM 893 CG GLU A 56 -2.532 -7.258 -3.956 1.00 0.00 C ATOM 894 CD GLU A 56 -3.859 -6.523 -3.956 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.097 -5.730 -4.891 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.658 -6.741 -3.022 1.00 0.00 O ATOM 0 H GLU A 56 1.095 -5.262 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.521 -7.659 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.659 -5.425 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.025 -6.005 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.436 -7.827 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.519 -7.977 -3.137 1.00 0.00 H new ATOM 903 N ASN A 57 0.255 -8.832 -4.555 1.00 0.00 N ATOM 904 CA ASN A 57 1.006 -9.639 -5.510 1.00 0.00 C ATOM 905 C ASN A 57 1.066 -8.954 -6.872 1.00 0.00 C ATOM 906 O ASN A 57 2.094 -8.986 -7.550 1.00 0.00 O ATOM 907 CB ASN A 57 0.370 -11.023 -5.651 1.00 0.00 C ATOM 908 CG ASN A 57 -1.107 -10.949 -5.987 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.947 -10.910 -4.959 1.00 0.00 O flip ATOM 910 ND2 ASN A 57 -1.489 -10.928 -7.158 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.650 -9.222 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 57 2.023 -9.750 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.890 -11.581 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.501 -11.577 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.808 -10.960 -7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.486 -10.879 -7.368 1.00 0.00 H new ATOM 917 N ASP A 58 -0.041 -8.335 -7.267 1.00 0.00 N ATOM 918 CA ASP A 58 -0.114 -7.640 -8.547 1.00 0.00 C ATOM 919 C ASP A 58 0.925 -6.525 -8.620 1.00 0.00 C ATOM 920 O ASP A 58 1.340 -6.120 -9.706 1.00 0.00 O ATOM 921 CB ASP A 58 -1.515 -7.063 -8.759 1.00 0.00 C ATOM 922 CG ASP A 58 -1.837 -6.849 -10.225 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.775 -7.829 -10.996 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.151 -5.700 -10.601 1.00 0.00 O ATOM 0 H ASP A 58 -0.901 -8.300 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 58 0.097 -8.361 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.252 -7.737 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.598 -6.114 -8.229 1.00 0.00 H new ATOM 929 N VAL A 59 1.340 -6.033 -7.458 1.00 0.00 N ATOM 930 CA VAL A 59 2.330 -4.965 -7.390 1.00 0.00 C ATOM 931 C VAL A 59 3.628 -5.375 -8.077 1.00 0.00 C ATOM 932 O VAL A 59 4.027 -6.539 -8.032 1.00 0.00 O ATOM 933 CB VAL A 59 2.635 -4.574 -5.932 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.708 -3.496 -5.881 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.369 -4.111 -5.228 1.00 0.00 C ATOM 0 H VAL A 59 1.006 -6.357 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 59 1.904 -4.105 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 59 3.012 -5.453 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.910 -3.233 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.621 -3.869 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.362 -2.613 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.604 -3.839 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.959 -3.245 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.635 -4.917 -5.232 1.00 0.00 H new ATOM 945 N LYS A 60 4.284 -4.410 -8.713 1.00 0.00 N ATOM 946 CA LYS A 60 5.539 -4.668 -9.409 1.00 0.00 C ATOM 947 C LYS A 60 6.258 -3.363 -9.738 1.00 0.00 C ATOM 948 O LYS A 60 5.723 -2.276 -9.517 1.00 0.00 O ATOM 949 CB LYS A 60 5.281 -5.458 -10.694 1.00 0.00 C ATOM 950 CG LYS A 60 4.056 -4.990 -11.460 1.00 0.00 C ATOM 951 CD LYS A 60 4.254 -5.118 -12.961 1.00 0.00 C ATOM 952 CE LYS A 60 3.753 -6.458 -13.477 1.00 0.00 C ATOM 953 NZ LYS A 60 4.818 -7.498 -13.444 1.00 0.00 N ATOM 0 H LYS A 60 3.967 -3.442 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 60 6.176 -5.257 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.155 -5.380 -11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.162 -6.512 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.189 -5.576 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.843 -3.951 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.726 -4.311 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.312 -5.007 -13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.906 -6.786 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.391 -6.341 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.481 -8.355 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.667 -7.141 -13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.051 -7.725 -12.456 1.00 0.00 H new ATOM 967 N LEU A 61 7.470 -3.478 -10.268 1.00 0.00 N ATOM 968 CA LEU A 61 8.261 -2.307 -10.629 1.00 0.00 C ATOM 969 C LEU A 61 7.549 -1.475 -11.691 1.00 0.00 C ATOM 970 O LEU A 61 7.630 -0.248 -11.690 1.00 0.00 O ATOM 971 CB LEU A 61 9.638 -2.735 -11.140 1.00 0.00 C ATOM 972 CG LEU A 61 10.595 -1.604 -11.519 1.00 0.00 C ATOM 973 CD1 LEU A 61 12.039 -2.037 -11.320 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.361 -1.168 -12.958 1.00 0.00 C ATOM 0 H LEU A 61 7.927 -4.370 -10.457 1.00 0.00 H new ATOM 0 HA LEU A 61 8.385 -1.694 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.114 -3.345 -10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.497 -3.373 -12.013 1.00 0.00 H new ATOM 0 HG LEU A 61 10.399 -0.754 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.705 -1.219 -11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.199 -2.300 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.249 -2.903 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.050 -0.363 -13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.529 -2.013 -13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.335 -0.816 -13.069 1.00 0.00 H new ATOM 986 N GLY A 62 6.848 -2.153 -12.595 1.00 0.00 N ATOM 987 CA GLY A 62 6.130 -1.460 -13.649 1.00 0.00 C ATOM 988 C GLY A 62 4.813 -0.882 -13.169 1.00 0.00 C ATOM 989 O GLY A 62 4.078 -0.270 -13.943 1.00 0.00 O ATOM 0 H GLY A 62 6.765 -3.169 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.754 -0.657 -14.043 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.942 -2.150 -14.471 1.00 0.00 H new ATOM 993 N ALA A 63 4.514 -1.077 -11.889 1.00 0.00 N ATOM 994 CA ALA A 63 3.278 -0.570 -11.308 1.00 0.00 C ATOM 995 C ALA A 63 3.554 0.581 -10.347 1.00 0.00 C ATOM 996 O ALA A 63 2.681 1.411 -10.088 1.00 0.00 O ATOM 997 CB ALA A 63 2.533 -1.689 -10.594 1.00 0.00 C ATOM 0 H ALA A 63 5.111 -1.583 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 63 2.654 -0.191 -12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.611 -1.296 -10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.294 -2.479 -11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.160 -2.094 -9.800 1.00 0.00 H new ATOM 1003 N LEU A 64 4.773 0.625 -9.819 1.00 0.00 N ATOM 1004 CA LEU A 64 5.164 1.675 -8.885 1.00 0.00 C ATOM 1005 C LEU A 64 6.168 2.628 -9.527 1.00 0.00 C ATOM 1006 O LEU A 64 6.098 3.842 -9.335 1.00 0.00 O ATOM 1007 CB LEU A 64 5.765 1.061 -7.620 1.00 0.00 C ATOM 1008 CG LEU A 64 4.970 -0.082 -6.986 1.00 0.00 C ATOM 1009 CD1 LEU A 64 5.889 -0.991 -6.185 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.859 0.467 -6.103 1.00 0.00 C ATOM 0 H LEU A 64 5.507 -0.054 -10.022 1.00 0.00 H new ATOM 0 HA LEU A 64 4.272 2.241 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.764 0.695 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.883 1.850 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 64 4.516 -0.670 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.306 -1.798 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.649 -1.412 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.372 -0.416 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.304 -0.360 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.292 1.078 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.184 1.076 -6.704 1.00 0.00 H new ATOM 1022 N LYS A 65 7.100 2.070 -10.292 1.00 0.00 N ATOM 1023 CA LYS A 65 8.117 2.869 -10.966 1.00 0.00 C ATOM 1024 C LYS A 65 8.807 3.812 -9.985 1.00 0.00 C ATOM 1025 O LYS A 65 9.209 4.918 -10.349 1.00 0.00 O ATOM 1026 CB LYS A 65 7.489 3.674 -12.106 1.00 0.00 C ATOM 1027 CG LYS A 65 6.719 2.821 -13.100 1.00 0.00 C ATOM 1028 CD LYS A 65 5.389 3.458 -13.468 1.00 0.00 C ATOM 1029 CE LYS A 65 4.274 2.996 -12.542 1.00 0.00 C ATOM 1030 NZ LYS A 65 4.001 3.987 -11.465 1.00 0.00 N ATOM 0 H LYS A 65 7.172 1.067 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 65 8.864 2.190 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.817 4.422 -11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.275 4.213 -12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.317 2.680 -14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.545 1.833 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.478 4.543 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.136 3.206 -14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.366 2.830 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.546 2.040 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.334 3.579 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.890 4.229 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.588 4.846 -11.881 1.00 0.00 H new ATOM 1044 N LEU A 66 8.941 3.368 -8.740 1.00 0.00 N ATOM 1045 CA LEU A 66 9.585 4.171 -7.706 1.00 0.00 C ATOM 1046 C LEU A 66 11.102 4.035 -7.776 1.00 0.00 C ATOM 1047 O LEU A 66 11.635 3.334 -8.637 1.00 0.00 O ATOM 1048 CB LEU A 66 9.087 3.751 -6.322 1.00 0.00 C ATOM 1049 CG LEU A 66 8.021 4.648 -5.692 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.048 3.820 -4.865 1.00 0.00 C ATOM 1051 CD2 LEU A 66 8.669 5.725 -4.835 1.00 0.00 C ATOM 0 H LEU A 66 8.612 2.456 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 66 9.325 5.215 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.687 2.740 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.942 3.708 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 66 7.464 5.135 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.296 4.475 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.559 3.086 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.591 3.305 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.895 6.354 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.251 5.257 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.325 6.337 -5.454 1.00 0.00 H new ATOM 1063 N LYS A 67 11.794 4.707 -6.863 1.00 0.00 N ATOM 1064 CA LYS A 67 13.251 4.660 -6.817 1.00 0.00 C ATOM 1065 C LYS A 67 13.739 4.261 -5.428 1.00 0.00 C ATOM 1066 O LYS A 67 13.055 4.457 -4.423 1.00 0.00 O ATOM 1067 CB LYS A 67 13.838 6.018 -7.205 1.00 0.00 C ATOM 1068 CG LYS A 67 13.669 7.082 -6.135 1.00 0.00 C ATOM 1069 CD LYS A 67 14.253 8.414 -6.575 1.00 0.00 C ATOM 1070 CE LYS A 67 13.599 9.578 -5.846 1.00 0.00 C ATOM 1071 NZ LYS A 67 13.559 10.807 -6.686 1.00 0.00 N ATOM 0 H LYS A 67 11.369 5.292 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 67 13.588 3.908 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.900 5.897 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.363 6.360 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.610 7.205 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.156 6.756 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.326 8.422 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.118 8.534 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.585 9.302 -5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.147 9.784 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.106 11.577 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.528 11.085 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.015 10.618 -7.552 1.00 0.00 H new ATOM 1085 N PRO A 68 14.951 3.689 -5.367 1.00 0.00 N ATOM 1086 CA PRO A 68 15.558 3.253 -4.106 1.00 0.00 C ATOM 1087 C PRO A 68 15.959 4.426 -3.220 1.00 0.00 C ATOM 1088 O PRO A 68 16.254 4.251 -2.038 1.00 0.00 O ATOM 1089 CB PRO A 68 16.797 2.476 -4.559 1.00 0.00 C ATOM 1090 CG PRO A 68 17.133 3.045 -5.895 1.00 0.00 C ATOM 1091 CD PRO A 68 15.822 3.425 -6.525 1.00 0.00 C ATOM 0 HA PRO A 68 14.867 2.665 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 68 17.621 2.601 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.592 1.407 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 68 17.785 3.913 -5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 68 17.663 2.316 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 68 15.922 4.304 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 68 15.429 2.623 -7.149 1.00 0.00 H new ATOM 1099 N ASN A 69 15.968 5.623 -3.798 1.00 0.00 N ATOM 1100 CA ASN A 69 16.334 6.826 -3.060 1.00 0.00 C ATOM 1101 C ASN A 69 15.496 6.962 -1.792 1.00 0.00 C ATOM 1102 O ASN A 69 15.910 7.604 -0.826 1.00 0.00 O ATOM 1103 CB ASN A 69 16.153 8.065 -3.939 1.00 0.00 C ATOM 1104 CG ASN A 69 16.740 9.313 -3.309 1.00 0.00 C ATOM 1105 OD1 ASN A 69 16.026 10.105 -2.692 1.00 0.00 O ATOM 1106 ND2 ASN A 69 18.046 9.494 -3.461 1.00 0.00 N ATOM 0 H ASN A 69 15.726 5.785 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 69 17.383 6.742 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 69 16.626 7.893 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 69 15.091 8.222 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 69 18.497 10.316 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 69 18.598 8.812 -3.980 1.00 0.00 H new ATOM 1113 N THR A 70 14.315 6.352 -1.802 1.00 0.00 N ATOM 1114 CA THR A 70 13.418 6.405 -0.654 1.00 0.00 C ATOM 1115 C THR A 70 14.151 6.047 0.633 1.00 0.00 C ATOM 1116 O THR A 70 13.988 6.710 1.658 1.00 0.00 O ATOM 1117 CB THR A 70 12.221 5.452 -0.832 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.598 4.340 -1.652 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.041 6.176 -1.463 1.00 0.00 C ATOM 0 H THR A 70 13.957 5.816 -2.592 1.00 0.00 H new ATOM 0 HA THR A 70 13.051 7.429 -0.587 1.00 0.00 H new ATOM 0 HB THR A 70 11.922 5.093 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.556 4.600 -2.596 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.208 5.482 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.737 7.004 -0.823 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.331 6.561 -2.441 1.00 0.00 H new ATOM 1127 N LYS A 71 14.960 4.995 0.575 1.00 0.00 N ATOM 1128 CA LYS A 71 15.721 4.549 1.736 1.00 0.00 C ATOM 1129 C LYS A 71 14.789 4.143 2.874 1.00 0.00 C ATOM 1130 O LYS A 71 14.226 4.996 3.561 1.00 0.00 O ATOM 1131 CB LYS A 71 16.667 5.655 2.207 1.00 0.00 C ATOM 1132 CG LYS A 71 18.084 5.510 1.678 1.00 0.00 C ATOM 1133 CD LYS A 71 19.044 6.444 2.395 1.00 0.00 C ATOM 1134 CE LYS A 71 18.881 7.881 1.924 1.00 0.00 C ATOM 1135 NZ LYS A 71 19.742 8.180 0.746 1.00 0.00 N ATOM 0 H LYS A 71 15.106 4.435 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 71 16.308 3.679 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.268 6.620 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.694 5.659 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.416 4.479 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.098 5.723 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.870 6.391 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.069 6.117 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.838 8.063 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.131 8.561 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.602 9.169 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.740 8.031 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.486 7.549 -0.040 1.00 0.00 H new ATOM 1149 N ILE A 72 14.633 2.838 3.068 1.00 0.00 N ATOM 1150 CA ILE A 72 13.772 2.321 4.124 1.00 0.00 C ATOM 1151 C ILE A 72 14.591 1.860 5.325 1.00 0.00 C ATOM 1152 O ILE A 72 15.713 1.377 5.175 1.00 0.00 O ATOM 1153 CB ILE A 72 12.910 1.146 3.624 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.923 0.711 4.709 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.795 -0.019 3.206 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.432 -0.424 5.569 1.00 0.00 C ATOM 0 H ILE A 72 15.092 2.120 2.508 1.00 0.00 H new ATOM 0 HA ILE A 72 13.117 3.139 4.425 1.00 0.00 H new ATOM 0 HB ILE A 72 12.342 1.475 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.696 1.566 5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.988 0.408 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.172 -0.842 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.461 0.299 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.387 -0.351 4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.681 -0.680 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.632 -1.294 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.351 -0.118 6.069 1.00 0.00 H new ATOM 1168 N MET A 73 14.022 2.011 6.516 1.00 0.00 N ATOM 1169 CA MET A 73 14.699 1.607 7.743 1.00 0.00 C ATOM 1170 C MET A 73 13.864 0.590 8.515 1.00 0.00 C ATOM 1171 O MET A 73 12.640 0.696 8.575 1.00 0.00 O ATOM 1172 CB MET A 73 14.977 2.828 8.623 1.00 0.00 C ATOM 1173 CG MET A 73 15.276 2.477 10.071 1.00 0.00 C ATOM 1174 SD MET A 73 15.825 3.901 11.031 1.00 0.00 S ATOM 1175 CE MET A 73 17.461 4.159 10.349 1.00 0.00 C ATOM 0 H MET A 73 13.094 2.410 6.658 1.00 0.00 H new ATOM 0 HA MET A 73 15.646 1.141 7.470 1.00 0.00 H new ATOM 0 HB2 MET A 73 15.822 3.379 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.115 3.494 8.590 1.00 0.00 H new ATOM 0 HG2 MET A 73 14.382 2.056 10.531 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.044 1.704 10.102 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.052 4.761 11.039 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.948 3.196 10.198 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.379 4.678 9.394 1.00 0.00 H new ATOM 1185 N MET A 74 14.536 -0.396 9.102 1.00 0.00 N ATOM 1186 CA MET A 74 13.855 -1.431 9.870 1.00 0.00 C ATOM 1187 C MET A 74 13.855 -1.094 11.358 1.00 0.00 C ATOM 1188 O MET A 74 14.900 -0.802 11.937 1.00 0.00 O ATOM 1189 CB MET A 74 14.525 -2.788 9.643 1.00 0.00 C ATOM 1190 CG MET A 74 13.538 -3.927 9.440 1.00 0.00 C ATOM 1191 SD MET A 74 14.335 -5.544 9.440 1.00 0.00 S ATOM 1192 CE MET A 74 14.864 -5.661 7.733 1.00 0.00 C ATOM 0 H MET A 74 15.550 -0.499 9.060 1.00 0.00 H new ATOM 0 HA MET A 74 12.822 -1.481 9.527 1.00 0.00 H new ATOM 0 HB2 MET A 74 15.175 -2.722 8.771 1.00 0.00 H new ATOM 0 HB3 MET A 74 15.161 -3.017 10.498 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.787 -3.897 10.229 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.014 -3.784 8.495 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.045 -6.705 7.479 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.087 -5.259 7.083 1.00 0.00 H new ATOM 0 HE3 MET A 74 15.782 -5.090 7.597 1.00 0.00 H new ATOM 1202 N MET A 75 12.676 -1.135 11.969 1.00 0.00 N ATOM 1203 CA MET A 75 12.541 -0.834 13.390 1.00 0.00 C ATOM 1204 C MET A 75 11.581 -1.810 14.064 1.00 0.00 C ATOM 1205 O MET A 75 10.524 -2.130 13.522 1.00 0.00 O ATOM 1206 CB MET A 75 12.048 0.601 13.584 1.00 0.00 C ATOM 1207 CG MET A 75 12.491 1.223 14.899 1.00 0.00 C ATOM 1208 SD MET A 75 11.343 0.886 16.248 1.00 0.00 S ATOM 1209 CE MET A 75 11.629 2.307 17.299 1.00 0.00 C ATOM 0 H MET A 75 11.801 -1.374 11.503 1.00 0.00 H new ATOM 0 HA MET A 75 13.522 -0.939 13.853 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.411 1.216 12.760 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.959 0.612 13.535 1.00 0.00 H new ATOM 0 HG2 MET A 75 13.477 0.842 15.163 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.590 2.301 14.772 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.989 2.243 18.179 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.674 2.325 17.610 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.399 3.219 16.748 1.00 0.00 H new ATOM 1219 N GLY A 76 11.957 -2.279 15.250 1.00 0.00 N ATOM 1220 CA GLY A 76 11.119 -3.214 15.977 1.00 0.00 C ATOM 1221 C GLY A 76 10.966 -4.538 15.256 1.00 0.00 C ATOM 1222 O GLY A 76 9.920 -5.184 15.341 1.00 0.00 O ATOM 0 H GLY A 76 12.827 -2.028 15.720 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.547 -3.389 16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.135 -2.772 16.130 1.00 0.00 H new ATOM 1226 N THR A 77 12.011 -4.946 14.542 1.00 0.00 N ATOM 1227 CA THR A 77 11.987 -6.201 13.801 1.00 0.00 C ATOM 1228 C THR A 77 12.821 -7.268 14.500 1.00 0.00 C ATOM 1229 O THR A 77 13.448 -7.006 15.527 1.00 0.00 O ATOM 1230 CB THR A 77 12.512 -6.014 12.365 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.404 -4.896 12.310 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.362 -5.800 11.392 1.00 0.00 C ATOM 0 H THR A 77 12.884 -4.425 14.461 1.00 0.00 H new ATOM 0 HA THR A 77 10.947 -6.525 13.761 1.00 0.00 H new ATOM 0 HB THR A 77 13.047 -6.919 12.077 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.090 -5.058 11.630 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.757 -5.670 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.701 -6.666 11.414 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.803 -4.910 11.680 1.00 0.00 H new