USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 833 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 95 SER OG : rot -130:sc= 1.99 USER MOD Set 1.2: A 98 GLN : amide:sc= 2.02 K(o=4,f=-0.98) USER MOD Set 2.1: A 59 ASN : amide:sc= 1.12 K(o=2.3,f=1.2) USER MOD Set 2.2: A 62 GLN : amide:sc= 1.13 K(o=2.3,f=1.2) USER MOD Set 3.1: A 32 CYS SG : rot 178:sc= 0.42 USER MOD Set 3.2: A 35 CYS SG : rot 68:sc= -0.37 USER MOD Set 4.1: A 8 THR OG1 : rot -51:sc= 1.33 USER MOD Set 4.2: A 11 SER OG : rot 104:sc= 2.66 USER MOD Set 5.1: A 1 SER OG : rot -157:sc= 1.35 USER MOD Set 5.2: A 6 HIS : no HE2:sc= 1.09 K(o=2.4,f=-5.9!) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.65 (180deg=-0.246) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 0.769 (180deg=0.748) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0363) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 175:sc= 0 (180deg=-0.0404) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.324 X(o=0.32,f=-0.095) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.456 (180deg=0.45) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.969) USER MOD Single : A 63 ASN : amide:sc= -1.4 K(o=-1.4,f=-1.9) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.38 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 0.77 (180deg=0.701) USER MOD Single : A 70 TYR OH : rot -111:sc= 0.283 USER MOD Single : A 77 THR OG1 : rot -57:sc= 1.23 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.911) USER MOD Single : A 83 ASN : amide:sc= 1.03 K(o=1,f=-0.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 1.08 (180deg=1.04) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0.927 (180deg=0.849) USER MOD Single : A 106 ASN : amide:sc= 0.443 K(o=0.44,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.476 -4.340 -4.543 1.00 0.00 N ATOM 2 CA SER A 1 -10.690 -4.453 -5.765 1.00 0.00 C ATOM 3 C SER A 1 -11.545 -4.374 -7.034 1.00 0.00 C ATOM 4 O SER A 1 -11.079 -4.760 -8.106 1.00 0.00 O ATOM 5 CB SER A 1 -9.881 -5.749 -5.718 1.00 0.00 C ATOM 6 OG SER A 1 -9.046 -5.723 -4.575 1.00 0.00 O ATOM 0 H1 SER A 1 -11.040 -4.916 -3.795 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.506 -3.345 -4.240 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.444 -4.678 -4.720 1.00 0.00 H new ATOM 0 HA SER A 1 -10.015 -3.599 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.549 -6.610 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.281 -5.852 -6.622 1.00 0.00 H new ATOM 0 HG SER A 1 -8.287 -6.327 -4.711 1.00 0.00 H new ATOM 12 N ASP A 2 -12.776 -3.865 -6.909 1.00 0.00 N ATOM 13 CA ASP A 2 -13.763 -3.699 -7.974 1.00 0.00 C ATOM 14 C ASP A 2 -13.150 -3.301 -9.321 1.00 0.00 C ATOM 15 O ASP A 2 -13.519 -3.864 -10.348 1.00 0.00 O ATOM 16 CB ASP A 2 -14.820 -2.680 -7.530 1.00 0.00 C ATOM 17 CG ASP A 2 -15.934 -2.532 -8.563 1.00 0.00 C ATOM 18 OD1 ASP A 2 -16.590 -3.559 -8.838 1.00 0.00 O ATOM 19 OD2 ASP A 2 -16.119 -1.395 -9.048 1.00 0.00 O ATOM 0 H ASP A 2 -13.127 -3.540 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.226 -4.671 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.247 -2.991 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.346 -1.712 -7.366 1.00 0.00 H new ATOM 24 N LYS A 3 -12.223 -2.336 -9.315 1.00 0.00 N ATOM 25 CA LYS A 3 -11.535 -1.883 -10.522 1.00 0.00 C ATOM 26 C LYS A 3 -10.018 -1.875 -10.315 1.00 0.00 C ATOM 27 O LYS A 3 -9.335 -1.000 -10.845 1.00 0.00 O ATOM 28 CB LYS A 3 -12.042 -0.492 -10.930 1.00 0.00 C ATOM 29 CG LYS A 3 -13.557 -0.454 -11.147 1.00 0.00 C ATOM 30 CD LYS A 3 -13.959 0.892 -11.761 1.00 0.00 C ATOM 31 CE LYS A 3 -15.471 0.979 -12.003 1.00 0.00 C ATOM 32 NZ LYS A 3 -16.233 1.005 -10.742 1.00 0.00 N ATOM 0 H LYS A 3 -11.930 -1.848 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.755 -2.581 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.772 0.229 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.540 -0.182 -11.846 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.860 -1.269 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.073 -0.600 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.650 1.700 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.431 1.033 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.694 1.877 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.792 0.127 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.242 1.149 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.108 0.102 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.888 1.783 -10.144 1.00 0.00 H new ATOM 46 N ILE A 4 -9.483 -2.837 -9.557 1.00 0.00 N ATOM 47 CA ILE A 4 -8.050 -2.930 -9.293 1.00 0.00 C ATOM 48 C ILE A 4 -7.465 -4.145 -10.003 1.00 0.00 C ATOM 49 O ILE A 4 -8.044 -5.230 -9.976 1.00 0.00 O ATOM 50 CB ILE A 4 -7.766 -2.961 -7.783 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.286 -1.658 -7.148 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.267 -3.148 -7.525 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.869 -1.492 -5.686 1.00 0.00 C ATOM 0 H ILE A 4 -10.033 -3.571 -9.111 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.562 -2.040 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.283 -3.805 -7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.917 -0.809 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.374 -1.639 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.082 -3.168 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.936 -4.088 -7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.715 -2.322 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.267 -0.554 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.261 -2.323 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.781 -1.480 -5.617 1.00 0.00 H new ATOM 65 N ILE A 5 -6.295 -3.964 -10.617 1.00 0.00 N ATOM 66 CA ILE A 5 -5.601 -5.029 -11.324 1.00 0.00 C ATOM 67 C ILE A 5 -4.720 -5.805 -10.338 1.00 0.00 C ATOM 68 O ILE A 5 -3.691 -5.298 -9.889 1.00 0.00 O ATOM 69 CB ILE A 5 -4.782 -4.447 -12.494 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.593 -3.492 -13.391 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.174 -5.581 -13.334 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.885 -4.087 -13.960 1.00 0.00 C ATOM 0 H ILE A 5 -5.804 -3.070 -10.635 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.325 -5.724 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.986 -3.851 -12.049 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.843 -2.600 -12.816 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.962 -3.171 -14.220 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.599 -5.156 -14.156 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.519 -6.187 -12.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.973 -6.206 -13.734 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.387 -3.342 -14.578 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.647 -4.961 -14.566 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.541 -4.382 -13.141 1.00 0.00 H new ATOM 84 N HIS A 6 -5.101 -7.039 -9.996 1.00 0.00 N ATOM 85 CA HIS A 6 -4.301 -7.877 -9.111 1.00 0.00 C ATOM 86 C HIS A 6 -3.186 -8.542 -9.920 1.00 0.00 C ATOM 87 O HIS A 6 -3.457 -9.410 -10.747 1.00 0.00 O ATOM 88 CB HIS A 6 -5.171 -8.904 -8.379 1.00 0.00 C ATOM 89 CG HIS A 6 -5.765 -8.336 -7.115 1.00 0.00 C ATOM 90 ND1 HIS A 6 -5.377 -8.661 -5.829 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.678 -7.322 -7.043 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.062 -7.867 -4.986 1.00 0.00 C ATOM 93 NE2 HIS A 6 -6.859 -7.053 -5.701 1.00 0.00 N ATOM 0 H HIS A 6 -5.962 -7.477 -10.322 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.847 -7.255 -8.339 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.972 -9.238 -9.039 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.571 -9.781 -8.136 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -4.695 -9.373 -5.567 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.163 -6.828 -7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.984 -7.881 -3.909 1.00 0.00 H new ATOM 102 N LEU A 7 -1.940 -8.133 -9.683 1.00 0.00 N ATOM 103 CA LEU A 7 -0.760 -8.648 -10.356 1.00 0.00 C ATOM 104 C LEU A 7 -0.205 -9.854 -9.611 1.00 0.00 C ATOM 105 O LEU A 7 -0.599 -10.131 -8.478 1.00 0.00 O ATOM 106 CB LEU A 7 0.329 -7.567 -10.328 1.00 0.00 C ATOM 107 CG LEU A 7 -0.100 -6.196 -10.857 1.00 0.00 C ATOM 108 CD1 LEU A 7 1.089 -5.254 -10.680 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.466 -6.271 -12.334 1.00 0.00 C ATOM 0 H LEU A 7 -1.723 -7.412 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.034 -8.927 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.676 -7.450 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.179 -7.915 -10.914 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.977 -5.845 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.825 -4.262 -11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.351 -5.193 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.941 -5.634 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.767 -5.284 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.397 -6.612 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.290 -6.971 -12.469 1.00 0.00 H new ATOM 121 N THR A 8 0.778 -10.515 -10.224 1.00 0.00 N ATOM 122 CA THR A 8 1.559 -11.569 -9.613 1.00 0.00 C ATOM 123 C THR A 8 3.011 -11.306 -9.993 1.00 0.00 C ATOM 124 O THR A 8 3.271 -10.554 -10.932 1.00 0.00 O ATOM 125 CB THR A 8 1.119 -12.954 -10.090 1.00 0.00 C ATOM 126 OG1 THR A 8 1.400 -13.092 -11.472 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.367 -13.214 -9.832 1.00 0.00 C ATOM 0 H THR A 8 1.053 -10.319 -11.186 1.00 0.00 H new ATOM 0 HA THR A 8 1.421 -11.564 -8.532 1.00 0.00 H new ATOM 0 HB THR A 8 1.680 -13.693 -9.517 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.036 -12.323 -11.958 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.629 -14.210 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.568 -13.147 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.964 -12.471 -10.361 1.00 0.00 H new ATOM 135 N ASP A 9 3.956 -11.942 -9.299 1.00 0.00 N ATOM 136 CA ASP A 9 5.370 -11.800 -9.620 1.00 0.00 C ATOM 137 C ASP A 9 5.593 -12.208 -11.078 1.00 0.00 C ATOM 138 O ASP A 9 6.219 -11.496 -11.858 1.00 0.00 O ATOM 139 CB ASP A 9 6.191 -12.660 -8.646 1.00 0.00 C ATOM 140 CG ASP A 9 7.683 -12.339 -8.637 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.188 -11.800 -9.646 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.306 -12.657 -7.603 1.00 0.00 O ATOM 0 H ASP A 9 3.764 -12.560 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 9 5.696 -10.766 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.796 -12.527 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.058 -13.710 -8.905 1.00 0.00 H new ATOM 147 N ASP A 10 5.029 -13.360 -11.442 1.00 0.00 N ATOM 148 CA ASP A 10 5.107 -13.934 -12.775 1.00 0.00 C ATOM 149 C ASP A 10 4.516 -13.000 -13.834 1.00 0.00 C ATOM 150 O ASP A 10 5.101 -12.830 -14.900 1.00 0.00 O ATOM 151 CB ASP A 10 4.371 -15.280 -12.797 1.00 0.00 C ATOM 152 CG ASP A 10 4.898 -16.247 -11.741 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.564 -16.017 -10.556 1.00 0.00 O ATOM 154 OD2 ASP A 10 5.627 -17.182 -12.133 1.00 0.00 O ATOM 0 H ASP A 10 4.490 -13.933 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 10 6.160 -14.080 -13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.307 -15.112 -12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.474 -15.732 -13.784 1.00 0.00 H new ATOM 159 N SER A 11 3.343 -12.418 -13.564 1.00 0.00 N ATOM 160 CA SER A 11 2.662 -11.581 -14.546 1.00 0.00 C ATOM 161 C SER A 11 3.249 -10.165 -14.613 1.00 0.00 C ATOM 162 O SER A 11 3.103 -9.484 -15.631 1.00 0.00 O ATOM 163 CB SER A 11 1.156 -11.583 -14.264 1.00 0.00 C ATOM 164 OG SER A 11 0.850 -10.917 -13.051 1.00 0.00 O ATOM 0 H SER A 11 2.850 -12.513 -12.676 1.00 0.00 H new ATOM 0 HA SER A 11 2.825 -12.005 -15.537 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.631 -11.099 -15.088 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.796 -12.611 -14.216 1.00 0.00 H new ATOM 0 HG SER A 11 0.479 -10.032 -13.248 1.00 0.00 H new ATOM 170 N PHE A 12 3.880 -9.724 -13.521 1.00 0.00 N ATOM 171 CA PHE A 12 4.484 -8.414 -13.324 1.00 0.00 C ATOM 172 C PHE A 12 5.049 -7.784 -14.595 1.00 0.00 C ATOM 173 O PHE A 12 4.641 -6.691 -14.974 1.00 0.00 O ATOM 174 CB PHE A 12 5.579 -8.503 -12.252 1.00 0.00 C ATOM 175 CG PHE A 12 6.007 -7.141 -11.762 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.247 -6.522 -10.756 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.987 -6.406 -12.453 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.484 -5.183 -10.413 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.172 -5.044 -12.163 1.00 0.00 C ATOM 180 CZ PHE A 12 6.436 -4.441 -11.131 1.00 0.00 C ATOM 0 H PHE A 12 3.987 -10.317 -12.698 1.00 0.00 H new ATOM 0 HA PHE A 12 3.678 -7.756 -12.999 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.215 -9.092 -11.411 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.442 -9.029 -12.659 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.477 -7.080 -10.244 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.595 -6.887 -13.204 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.938 -4.725 -9.602 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.880 -4.461 -12.734 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.603 -3.402 -10.888 1.00 0.00 H new ATOM 190 N ASP A 13 6.016 -8.442 -15.235 1.00 0.00 N ATOM 191 CA ASP A 13 6.680 -7.925 -16.421 1.00 0.00 C ATOM 192 C ASP A 13 5.662 -7.516 -17.486 1.00 0.00 C ATOM 193 O ASP A 13 5.608 -6.363 -17.914 1.00 0.00 O ATOM 194 CB ASP A 13 7.657 -8.979 -16.956 1.00 0.00 C ATOM 195 CG ASP A 13 8.792 -9.271 -15.976 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.474 -9.796 -14.885 1.00 0.00 O ATOM 197 OD2 ASP A 13 9.949 -8.962 -16.330 1.00 0.00 O ATOM 0 H ASP A 13 6.360 -9.356 -14.939 1.00 0.00 H new ATOM 0 HA ASP A 13 7.241 -7.029 -16.155 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.114 -9.901 -17.164 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.076 -8.635 -17.902 1.00 0.00 H new ATOM 202 N THR A 14 4.851 -8.477 -17.915 1.00 0.00 N ATOM 203 CA THR A 14 3.847 -8.280 -18.938 1.00 0.00 C ATOM 204 C THR A 14 2.828 -7.217 -18.533 1.00 0.00 C ATOM 205 O THR A 14 2.405 -6.412 -19.357 1.00 0.00 O ATOM 206 CB THR A 14 3.168 -9.633 -19.195 1.00 0.00 C ATOM 207 OG1 THR A 14 4.150 -10.653 -19.164 1.00 0.00 O ATOM 208 CG2 THR A 14 2.453 -9.659 -20.549 1.00 0.00 C ATOM 0 H THR A 14 4.879 -9.429 -17.551 1.00 0.00 H new ATOM 0 HA THR A 14 4.318 -7.916 -19.851 1.00 0.00 H new ATOM 0 HB THR A 14 2.420 -9.794 -18.418 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.725 -11.521 -19.326 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.985 -10.633 -20.695 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.689 -8.882 -20.572 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.176 -9.481 -21.345 1.00 0.00 H new ATOM 216 N ASP A 15 2.404 -7.239 -17.271 1.00 0.00 N ATOM 217 CA ASP A 15 1.361 -6.344 -16.798 1.00 0.00 C ATOM 218 C ASP A 15 1.827 -4.906 -16.603 1.00 0.00 C ATOM 219 O ASP A 15 1.083 -3.979 -16.907 1.00 0.00 O ATOM 220 CB ASP A 15 0.805 -6.856 -15.465 1.00 0.00 C ATOM 221 CG ASP A 15 0.149 -8.231 -15.513 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.102 -8.732 -16.630 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.091 -8.766 -14.407 1.00 0.00 O ATOM 0 H ASP A 15 2.771 -7.871 -16.559 1.00 0.00 H new ATOM 0 HA ASP A 15 0.597 -6.337 -17.576 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.618 -6.886 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.074 -6.137 -15.096 1.00 0.00 H new ATOM 228 N VAL A 16 3.011 -4.723 -16.017 1.00 0.00 N ATOM 229 CA VAL A 16 3.544 -3.428 -15.618 1.00 0.00 C ATOM 230 C VAL A 16 4.654 -2.955 -16.547 1.00 0.00 C ATOM 231 O VAL A 16 4.567 -1.866 -17.107 1.00 0.00 O ATOM 232 CB VAL A 16 4.053 -3.507 -14.165 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.542 -2.140 -13.676 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.951 -3.992 -13.218 1.00 0.00 C ATOM 0 H VAL A 16 3.640 -5.496 -15.803 1.00 0.00 H new ATOM 0 HA VAL A 16 2.739 -2.696 -15.686 1.00 0.00 H new ATOM 0 HB VAL A 16 4.880 -4.217 -14.159 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.895 -2.226 -12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.358 -1.796 -14.312 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.722 -1.423 -13.719 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.340 -4.038 -12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.110 -3.300 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.619 -4.984 -13.524 1.00 0.00 H new ATOM 244 N LEU A 17 5.721 -3.742 -16.705 1.00 0.00 N ATOM 245 CA LEU A 17 6.863 -3.295 -17.494 1.00 0.00 C ATOM 246 C LEU A 17 6.480 -3.024 -18.945 1.00 0.00 C ATOM 247 O LEU A 17 7.022 -2.105 -19.555 1.00 0.00 O ATOM 248 CB LEU A 17 8.053 -4.254 -17.362 1.00 0.00 C ATOM 249 CG LEU A 17 8.501 -4.456 -15.901 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.706 -5.402 -15.873 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.895 -3.139 -15.220 1.00 0.00 C ATOM 0 H LEU A 17 5.815 -4.675 -16.304 1.00 0.00 H new ATOM 0 HA LEU A 17 7.190 -2.340 -17.083 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.785 -5.219 -17.791 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.890 -3.868 -17.944 1.00 0.00 H new ATOM 0 HG LEU A 17 7.655 -4.874 -15.355 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.029 -5.550 -14.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.425 -6.362 -16.306 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.523 -4.968 -16.450 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.202 -3.338 -14.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.721 -2.681 -15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.042 -2.461 -15.218 1.00 0.00 H new ATOM 263 N LYS A 18 5.531 -3.783 -19.502 1.00 0.00 N ATOM 264 CA LYS A 18 5.081 -3.537 -20.869 1.00 0.00 C ATOM 265 C LYS A 18 3.919 -2.526 -20.916 1.00 0.00 C ATOM 266 O LYS A 18 3.320 -2.337 -21.973 1.00 0.00 O ATOM 267 CB LYS A 18 4.727 -4.862 -21.550 1.00 0.00 C ATOM 268 CG LYS A 18 5.938 -5.800 -21.570 1.00 0.00 C ATOM 269 CD LYS A 18 5.615 -7.075 -22.360 1.00 0.00 C ATOM 270 CE LYS A 18 6.643 -8.181 -22.089 1.00 0.00 C ATOM 271 NZ LYS A 18 8.009 -7.763 -22.449 1.00 0.00 N ATOM 0 H LYS A 18 5.067 -4.561 -19.033 1.00 0.00 H new ATOM 0 HA LYS A 18 5.899 -3.081 -21.426 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.900 -5.338 -21.023 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.389 -4.674 -22.569 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.791 -5.293 -22.020 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.222 -6.059 -20.550 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.620 -7.428 -22.091 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.595 -6.848 -23.426 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.613 -8.454 -21.034 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.375 -9.072 -22.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.654 -8.574 -22.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.019 -7.415 -23.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.320 -7.004 -21.809 1.00 0.00 H new ATOM 285 N ALA A 19 3.578 -1.872 -19.797 1.00 0.00 N ATOM 286 CA ALA A 19 2.468 -0.933 -19.753 1.00 0.00 C ATOM 287 C ALA A 19 2.864 0.461 -20.228 1.00 0.00 C ATOM 288 O ALA A 19 3.411 1.256 -19.459 1.00 0.00 O ATOM 289 CB ALA A 19 1.890 -0.848 -18.343 1.00 0.00 C ATOM 0 H ALA A 19 4.065 -1.983 -18.908 1.00 0.00 H new ATOM 0 HA ALA A 19 1.710 -1.314 -20.438 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.061 -0.140 -18.332 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.532 -1.831 -18.037 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.663 -0.512 -17.652 1.00 0.00 H new ATOM 295 N ASP A 20 2.527 0.791 -21.476 1.00 0.00 N ATOM 296 CA ASP A 20 2.726 2.127 -22.024 1.00 0.00 C ATOM 297 C ASP A 20 1.628 3.043 -21.474 1.00 0.00 C ATOM 298 O ASP A 20 0.721 3.457 -22.193 1.00 0.00 O ATOM 299 CB ASP A 20 2.721 2.063 -23.553 1.00 0.00 C ATOM 300 CG ASP A 20 2.890 3.431 -24.214 1.00 0.00 C ATOM 301 OD1 ASP A 20 3.371 4.357 -23.524 1.00 0.00 O ATOM 302 OD2 ASP A 20 2.545 3.522 -25.412 1.00 0.00 O ATOM 0 H ASP A 20 2.107 0.135 -22.134 1.00 0.00 H new ATOM 0 HA ASP A 20 3.692 2.534 -21.726 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.524 1.405 -23.885 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.784 1.618 -23.888 1.00 0.00 H new ATOM 307 N GLY A 21 1.696 3.318 -20.173 1.00 0.00 N ATOM 308 CA GLY A 21 0.732 4.134 -19.453 1.00 0.00 C ATOM 309 C GLY A 21 1.134 4.234 -17.983 1.00 0.00 C ATOM 310 O GLY A 21 2.226 3.799 -17.623 1.00 0.00 O ATOM 0 H GLY A 21 2.446 2.967 -19.578 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.683 5.129 -19.894 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.263 3.698 -19.538 1.00 0.00 H new ATOM 314 N ALA A 22 0.258 4.818 -17.155 1.00 0.00 N ATOM 315 CA ALA A 22 0.448 5.018 -15.724 1.00 0.00 C ATOM 316 C ALA A 22 -0.291 3.943 -14.920 1.00 0.00 C ATOM 317 O ALA A 22 -1.523 3.880 -14.948 1.00 0.00 O ATOM 318 CB ALA A 22 -0.057 6.416 -15.350 1.00 0.00 C ATOM 0 H ALA A 22 -0.638 5.177 -17.484 1.00 0.00 H new ATOM 0 HA ALA A 22 1.508 4.935 -15.484 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.080 6.578 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.505 7.167 -15.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.115 6.499 -15.597 1.00 0.00 H new ATOM 324 N ILE A 23 0.460 3.112 -14.192 1.00 0.00 N ATOM 325 CA ILE A 23 -0.044 2.053 -13.337 1.00 0.00 C ATOM 326 C ILE A 23 0.444 2.290 -11.904 1.00 0.00 C ATOM 327 O ILE A 23 1.649 2.346 -11.666 1.00 0.00 O ATOM 328 CB ILE A 23 0.388 0.669 -13.860 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.041 0.505 -15.356 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.217 -0.430 -12.975 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.233 -0.943 -15.783 1.00 0.00 C ATOM 0 H ILE A 23 1.478 3.168 -14.188 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.134 2.069 -13.345 1.00 0.00 H new ATOM 0 HB ILE A 23 1.472 0.577 -13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.836 1.111 -15.582 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.863 0.899 -15.953 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.090 -1.407 -13.347 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.133 -0.306 -11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.304 -0.358 -12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.469 -0.970 -16.847 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.650 -1.552 -15.591 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.076 -1.337 -15.215 1.00 0.00 H new ATOM 343 N LEU A 24 -0.478 2.383 -10.941 1.00 0.00 N ATOM 344 CA LEU A 24 -0.140 2.505 -9.528 1.00 0.00 C ATOM 345 C LEU A 24 -0.125 1.092 -8.973 1.00 0.00 C ATOM 346 O LEU A 24 -1.184 0.492 -8.830 1.00 0.00 O ATOM 347 CB LEU A 24 -1.161 3.381 -8.793 1.00 0.00 C ATOM 348 CG LEU A 24 -0.840 3.660 -7.311 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.902 2.448 -6.374 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.485 4.412 -7.155 1.00 0.00 C ATOM 0 H LEU A 24 -1.481 2.375 -11.125 1.00 0.00 H new ATOM 0 HA LEU A 24 0.828 2.988 -9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.242 4.334 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.138 2.901 -8.853 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.659 4.299 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.659 2.760 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.906 2.025 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.185 1.696 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.679 4.592 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.294 3.815 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.426 5.365 -7.680 1.00 0.00 H new ATOM 362 N VAL A 25 1.056 0.562 -8.665 1.00 0.00 N ATOM 363 CA VAL A 25 1.208 -0.782 -8.137 1.00 0.00 C ATOM 364 C VAL A 25 1.324 -0.720 -6.619 1.00 0.00 C ATOM 365 O VAL A 25 2.342 -0.271 -6.095 1.00 0.00 O ATOM 366 CB VAL A 25 2.425 -1.482 -8.755 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.432 -2.935 -8.268 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.376 -1.461 -10.288 1.00 0.00 C ATOM 0 H VAL A 25 1.939 1.061 -8.777 1.00 0.00 H new ATOM 0 HA VAL A 25 0.328 -1.369 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 25 3.329 -0.956 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.289 -3.457 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.499 -2.954 -7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.513 -3.429 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.255 -1.967 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.477 -1.973 -10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.361 -0.429 -10.637 1.00 0.00 H new ATOM 378 N ASP A 26 0.292 -1.190 -5.917 1.00 0.00 N ATOM 379 CA ASP A 26 0.272 -1.248 -4.467 1.00 0.00 C ATOM 380 C ASP A 26 0.755 -2.628 -4.018 1.00 0.00 C ATOM 381 O ASP A 26 0.004 -3.596 -4.113 1.00 0.00 O ATOM 382 CB ASP A 26 -1.142 -0.972 -3.941 1.00 0.00 C ATOM 383 CG ASP A 26 -1.249 -1.332 -2.467 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.247 -1.887 -2.020 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.187 -1.047 -1.672 1.00 0.00 O ATOM 0 H ASP A 26 -0.561 -1.544 -6.351 1.00 0.00 H new ATOM 0 HA ASP A 26 0.935 -0.484 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.388 0.080 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.867 -1.549 -4.515 1.00 0.00 H new ATOM 391 N PHE A 27 1.974 -2.720 -3.488 1.00 0.00 N ATOM 392 CA PHE A 27 2.486 -3.971 -2.943 1.00 0.00 C ATOM 393 C PHE A 27 1.861 -4.096 -1.548 1.00 0.00 C ATOM 394 O PHE A 27 1.959 -3.140 -0.774 1.00 0.00 O ATOM 395 CB PHE A 27 4.023 -3.961 -2.887 1.00 0.00 C ATOM 396 CG PHE A 27 4.743 -4.045 -4.229 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.560 -3.051 -5.212 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.685 -5.067 -4.458 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.264 -3.115 -6.427 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.426 -5.098 -5.654 1.00 0.00 C ATOM 401 CZ PHE A 27 6.199 -4.138 -6.651 1.00 0.00 C ATOM 0 H PHE A 27 2.626 -1.938 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 27 2.224 -4.825 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.342 -3.049 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.349 -4.798 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.875 -2.236 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.840 -5.832 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.085 -2.374 -7.192 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.172 -5.864 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.740 -4.185 -7.585 1.00 0.00 H new ATOM 411 N TRP A 28 1.179 -5.209 -1.242 1.00 0.00 N ATOM 412 CA TRP A 28 0.439 -5.384 0.008 1.00 0.00 C ATOM 413 C TRP A 28 0.479 -6.806 0.581 1.00 0.00 C ATOM 414 O TRP A 28 0.807 -7.773 -0.114 1.00 0.00 O ATOM 415 CB TRP A 28 -1.028 -5.007 -0.237 1.00 0.00 C ATOM 416 CG TRP A 28 -1.827 -5.963 -1.072 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.829 -6.024 -2.418 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.735 -7.015 -0.629 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.628 -7.066 -2.839 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.219 -7.712 -1.776 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.210 -7.445 0.626 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.104 -8.796 -1.682 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.101 -8.531 0.733 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.536 -9.214 -0.415 1.00 0.00 C ATOM 0 H TRP A 28 1.127 -6.017 -1.862 1.00 0.00 H new ATOM 0 HA TRP A 28 0.925 -4.740 0.741 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.521 -4.902 0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.055 -4.028 -0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.286 -5.356 -3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.764 -7.326 -3.816 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.886 -6.934 1.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.448 -9.301 -2.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.453 -8.841 1.706 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.202 -10.059 -0.322 1.00 0.00 H new ATOM 435 N ALA A 29 0.066 -6.930 1.848 1.00 0.00 N ATOM 436 CA ALA A 29 -0.089 -8.189 2.559 1.00 0.00 C ATOM 437 C ALA A 29 -1.289 -8.084 3.494 1.00 0.00 C ATOM 438 O ALA A 29 -1.462 -7.060 4.150 1.00 0.00 O ATOM 439 CB ALA A 29 1.159 -8.548 3.356 1.00 0.00 C ATOM 0 H ALA A 29 -0.177 -6.122 2.421 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.246 -8.980 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.001 -9.495 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.009 -8.640 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.361 -7.766 4.088 1.00 0.00 H new ATOM 445 N GLU A 30 -2.115 -9.134 3.549 1.00 0.00 N ATOM 446 CA GLU A 30 -3.336 -9.167 4.347 1.00 0.00 C ATOM 447 C GLU A 30 -3.090 -8.771 5.805 1.00 0.00 C ATOM 448 O GLU A 30 -3.823 -7.959 6.364 1.00 0.00 O ATOM 449 CB GLU A 30 -3.974 -10.560 4.232 1.00 0.00 C ATOM 450 CG GLU A 30 -5.384 -10.593 4.836 1.00 0.00 C ATOM 451 CD GLU A 30 -6.022 -11.966 4.662 1.00 0.00 C ATOM 452 OE1 GLU A 30 -5.612 -12.877 5.415 1.00 0.00 O ATOM 453 OE2 GLU A 30 -6.893 -12.082 3.775 1.00 0.00 O ATOM 0 H GLU A 30 -1.948 -9.996 3.031 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.029 -8.423 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.021 -10.853 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.344 -11.291 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.335 -10.343 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.006 -9.836 4.358 1.00 0.00 H new ATOM 460 N TRP A 31 -2.062 -9.355 6.421 1.00 0.00 N ATOM 461 CA TRP A 31 -1.720 -9.089 7.812 1.00 0.00 C ATOM 462 C TRP A 31 -1.374 -7.617 8.057 1.00 0.00 C ATOM 463 O TRP A 31 -1.567 -7.114 9.164 1.00 0.00 O ATOM 464 CB TRP A 31 -0.591 -10.029 8.256 1.00 0.00 C ATOM 465 CG TRP A 31 0.593 -10.124 7.342 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.783 -11.088 6.414 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.752 -9.241 7.241 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.957 -10.854 5.735 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.601 -9.727 6.203 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.168 -8.070 7.914 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.791 -9.080 5.840 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.369 -7.423 7.569 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.184 -7.927 6.539 1.00 0.00 C ATOM 0 H TRP A 31 -1.444 -10.027 5.966 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.600 -9.290 8.424 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.241 -9.704 9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.007 -11.028 8.381 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.115 -11.917 6.233 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.308 -11.442 4.979 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.555 -7.665 8.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.398 -9.464 5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.668 -6.531 8.100 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.109 -7.429 6.287 1.00 0.00 H new ATOM 484 N CYS A 32 -0.885 -6.899 7.041 1.00 0.00 N ATOM 485 CA CYS A 32 -0.556 -5.492 7.208 1.00 0.00 C ATOM 486 C CYS A 32 -1.837 -4.666 7.123 1.00 0.00 C ATOM 487 O CYS A 32 -2.152 -4.111 6.075 1.00 0.00 O ATOM 488 CB CYS A 32 0.484 -5.043 6.181 1.00 0.00 C ATOM 489 SG CYS A 32 0.887 -3.309 6.521 1.00 0.00 S ATOM 0 H CYS A 32 -0.712 -7.269 6.107 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.107 -5.338 8.189 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.378 -5.663 6.247 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.094 -5.153 5.169 1.00 0.00 H new ATOM 0 HG CYS A 32 1.809 -2.908 5.697 1.00 0.00 H new ATOM 495 N GLY A 33 -2.579 -4.595 8.235 1.00 0.00 N ATOM 496 CA GLY A 33 -3.830 -3.846 8.389 1.00 0.00 C ATOM 497 C GLY A 33 -3.946 -2.614 7.475 1.00 0.00 C ATOM 498 O GLY A 33 -4.872 -2.549 6.666 1.00 0.00 O ATOM 0 H GLY A 33 -2.310 -5.081 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.667 -4.514 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.922 -3.524 9.426 1.00 0.00 H new ATOM 502 N PRO A 34 -3.020 -1.642 7.573 1.00 0.00 N ATOM 503 CA PRO A 34 -2.984 -0.452 6.729 1.00 0.00 C ATOM 504 C PRO A 34 -3.279 -0.716 5.243 1.00 0.00 C ATOM 505 O PRO A 34 -3.988 0.063 4.611 1.00 0.00 O ATOM 506 CB PRO A 34 -1.600 0.155 6.958 1.00 0.00 C ATOM 507 CG PRO A 34 -1.319 -0.210 8.414 1.00 0.00 C ATOM 508 CD PRO A 34 -1.918 -1.611 8.524 1.00 0.00 C ATOM 0 HA PRO A 34 -3.785 0.234 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.855 -0.266 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.599 1.234 6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.252 -0.206 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.790 0.488 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.176 -2.374 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.269 -1.809 9.537 1.00 0.00 H new ATOM 516 N CYS A 35 -2.780 -1.822 4.681 1.00 0.00 N ATOM 517 CA CYS A 35 -3.053 -2.213 3.300 1.00 0.00 C ATOM 518 C CYS A 35 -4.562 -2.314 3.074 1.00 0.00 C ATOM 519 O CYS A 35 -5.115 -1.741 2.134 1.00 0.00 O ATOM 520 CB CYS A 35 -2.438 -3.583 2.991 1.00 0.00 C ATOM 521 SG CYS A 35 -0.629 -3.527 2.964 1.00 0.00 S ATOM 0 H CYS A 35 -2.172 -2.473 5.177 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.617 -1.456 2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.767 -4.304 3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.804 -3.935 2.026 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.184 -3.304 4.165 1.00 0.00 H new ATOM 527 N LYS A 36 -5.234 -3.047 3.965 1.00 0.00 N ATOM 528 CA LYS A 36 -6.672 -3.240 3.916 1.00 0.00 C ATOM 529 C LYS A 36 -7.369 -1.898 4.124 1.00 0.00 C ATOM 530 O LYS A 36 -8.375 -1.623 3.478 1.00 0.00 O ATOM 531 CB LYS A 36 -7.112 -4.285 4.951 1.00 0.00 C ATOM 532 CG LYS A 36 -6.451 -5.649 4.698 1.00 0.00 C ATOM 533 CD LYS A 36 -6.773 -6.670 5.796 1.00 0.00 C ATOM 534 CE LYS A 36 -8.269 -6.981 5.906 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.516 -8.079 6.857 1.00 0.00 N ATOM 0 H LYS A 36 -4.784 -3.525 4.746 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.959 -3.624 2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.856 -3.936 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.196 -4.394 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.784 -6.038 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.371 -5.519 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.230 -7.593 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.415 -6.291 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.806 -6.089 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.660 -7.251 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.537 -8.268 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.022 -8.935 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.163 -7.810 7.798 1.00 0.00 H new ATOM 549 N MET A 37 -6.829 -1.053 5.008 1.00 0.00 N ATOM 550 CA MET A 37 -7.393 0.269 5.251 1.00 0.00 C ATOM 551 C MET A 37 -7.356 1.121 3.975 1.00 0.00 C ATOM 552 O MET A 37 -8.342 1.784 3.662 1.00 0.00 O ATOM 553 CB MET A 37 -6.693 0.968 6.422 1.00 0.00 C ATOM 554 CG MET A 37 -6.874 0.203 7.741 1.00 0.00 C ATOM 555 SD MET A 37 -5.861 0.777 9.129 1.00 0.00 S ATOM 556 CE MET A 37 -6.434 2.482 9.291 1.00 0.00 C ATOM 0 H MET A 37 -6.001 -1.266 5.565 1.00 0.00 H new ATOM 0 HA MET A 37 -8.438 0.143 5.533 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.630 1.065 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.090 1.977 6.531 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.923 0.261 8.032 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.651 -0.849 7.563 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.967 2.942 10.162 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.164 3.043 8.396 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.517 2.492 9.413 1.00 0.00 H new ATOM 566 N ILE A 38 -6.243 1.117 3.230 1.00 0.00 N ATOM 567 CA ILE A 38 -6.163 1.905 2.000 1.00 0.00 C ATOM 568 C ILE A 38 -6.931 1.263 0.836 1.00 0.00 C ATOM 569 O ILE A 38 -7.357 1.986 -0.060 1.00 0.00 O ATOM 570 CB ILE A 38 -4.725 2.294 1.612 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.867 1.088 1.210 1.00 0.00 C ATOM 572 CG2 ILE A 38 -4.060 3.114 2.726 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.610 1.513 0.447 1.00 0.00 C ATOM 0 H ILE A 38 -5.401 0.586 3.454 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.669 2.844 2.226 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.798 2.921 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.580 0.533 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.457 0.413 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.045 3.377 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.634 4.024 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.028 2.524 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.030 0.629 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.897 2.045 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.006 2.167 1.076 1.00 0.00 H new ATOM 585 N ALA A 39 -7.105 -0.065 0.811 1.00 0.00 N ATOM 586 CA ALA A 39 -7.831 -0.773 -0.251 1.00 0.00 C ATOM 587 C ALA A 39 -9.076 -0.029 -0.785 1.00 0.00 C ATOM 588 O ALA A 39 -9.127 0.254 -1.984 1.00 0.00 O ATOM 589 CB ALA A 39 -8.145 -2.212 0.173 1.00 0.00 C ATOM 0 H ALA A 39 -6.742 -0.684 1.535 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.156 -0.805 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.683 -2.718 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.215 -2.742 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.761 -2.200 1.072 1.00 0.00 H new ATOM 595 N PRO A 40 -10.082 0.322 0.042 1.00 0.00 N ATOM 596 CA PRO A 40 -11.247 1.060 -0.427 1.00 0.00 C ATOM 597 C PRO A 40 -10.852 2.396 -1.062 1.00 0.00 C ATOM 598 O PRO A 40 -11.402 2.771 -2.095 1.00 0.00 O ATOM 599 CB PRO A 40 -12.158 1.253 0.789 1.00 0.00 C ATOM 600 CG PRO A 40 -11.212 1.097 1.976 1.00 0.00 C ATOM 601 CD PRO A 40 -10.202 0.072 1.467 1.00 0.00 C ATOM 0 HA PRO A 40 -11.765 0.509 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.634 2.234 0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.957 0.512 0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.734 2.040 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.733 0.744 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.241 0.186 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.543 -0.945 1.660 1.00 0.00 H new ATOM 609 N ILE A 41 -9.872 3.101 -0.485 1.00 0.00 N ATOM 610 CA ILE A 41 -9.386 4.359 -1.040 1.00 0.00 C ATOM 611 C ILE A 41 -8.863 4.083 -2.451 1.00 0.00 C ATOM 612 O ILE A 41 -9.246 4.760 -3.403 1.00 0.00 O ATOM 613 CB ILE A 41 -8.311 5.016 -0.150 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.702 5.006 1.338 1.00 0.00 C ATOM 615 CG2 ILE A 41 -8.096 6.460 -0.627 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.643 5.677 2.216 1.00 0.00 C ATOM 0 H ILE A 41 -9.400 2.814 0.373 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.206 5.076 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.390 4.440 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.656 5.518 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.847 3.977 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.338 6.939 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.765 6.455 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.032 7.013 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.962 5.646 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.695 5.149 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.517 6.714 1.905 1.00 0.00 H new ATOM 628 N LEU A 42 -8.015 3.060 -2.597 1.00 0.00 N ATOM 629 CA LEU A 42 -7.488 2.658 -3.893 1.00 0.00 C ATOM 630 C LEU A 42 -8.638 2.355 -4.860 1.00 0.00 C ATOM 631 O LEU A 42 -8.582 2.772 -6.011 1.00 0.00 O ATOM 632 CB LEU A 42 -6.507 1.484 -3.753 1.00 0.00 C ATOM 633 CG LEU A 42 -5.137 1.897 -3.186 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.395 0.644 -2.711 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.268 2.603 -4.236 1.00 0.00 C ATOM 0 H LEU A 42 -7.679 2.492 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.917 3.485 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.948 0.727 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.363 1.022 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.315 2.591 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.423 0.928 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.979 0.147 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.255 -0.036 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.311 2.876 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.099 1.933 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.776 3.502 -4.584 1.00 0.00 H new ATOM 647 N ASP A 43 -9.695 1.666 -4.415 1.00 0.00 N ATOM 648 CA ASP A 43 -10.851 1.406 -5.275 1.00 0.00 C ATOM 649 C ASP A 43 -11.519 2.713 -5.713 1.00 0.00 C ATOM 650 O ASP A 43 -11.822 2.894 -6.893 1.00 0.00 O ATOM 651 CB ASP A 43 -11.870 0.492 -4.587 1.00 0.00 C ATOM 652 CG ASP A 43 -11.529 -0.977 -4.788 1.00 0.00 C ATOM 653 OD1 ASP A 43 -11.642 -1.419 -5.952 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.182 -1.639 -3.786 1.00 0.00 O ATOM 0 H ASP A 43 -9.772 1.282 -3.473 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.482 0.892 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.900 0.717 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.865 0.693 -4.983 1.00 0.00 H new ATOM 659 N GLU A 44 -11.751 3.634 -4.772 1.00 0.00 N ATOM 660 CA GLU A 44 -12.357 4.922 -5.087 1.00 0.00 C ATOM 661 C GLU A 44 -11.514 5.613 -6.159 1.00 0.00 C ATOM 662 O GLU A 44 -12.027 6.018 -7.200 1.00 0.00 O ATOM 663 CB GLU A 44 -12.456 5.789 -3.828 1.00 0.00 C ATOM 664 CG GLU A 44 -13.415 5.211 -2.777 1.00 0.00 C ATOM 665 CD GLU A 44 -13.071 5.695 -1.371 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.592 6.846 -1.264 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.283 4.904 -0.427 1.00 0.00 O ATOM 0 H GLU A 44 -11.526 3.506 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.368 4.771 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.465 5.896 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.790 6.788 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.438 5.499 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.374 4.122 -2.807 1.00 0.00 H new ATOM 674 N ILE A 45 -10.205 5.698 -5.916 1.00 0.00 N ATOM 675 CA ILE A 45 -9.252 6.270 -6.853 1.00 0.00 C ATOM 676 C ILE A 45 -9.350 5.548 -8.199 1.00 0.00 C ATOM 677 O ILE A 45 -9.370 6.199 -9.236 1.00 0.00 O ATOM 678 CB ILE A 45 -7.839 6.204 -6.253 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.693 7.119 -5.023 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.739 6.499 -7.281 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.702 8.623 -5.304 1.00 0.00 C ATOM 0 H ILE A 45 -9.777 5.366 -5.051 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.483 7.320 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.705 5.172 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.503 6.894 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.760 6.869 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.764 6.438 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.791 5.769 -8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.880 7.500 -7.688 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.593 9.169 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.875 8.874 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.644 8.899 -5.777 1.00 0.00 H new ATOM 693 N ALA A 46 -9.419 4.216 -8.199 1.00 0.00 N ATOM 694 CA ALA A 46 -9.532 3.428 -9.420 1.00 0.00 C ATOM 695 C ALA A 46 -10.741 3.868 -10.238 1.00 0.00 C ATOM 696 O ALA A 46 -10.670 3.927 -11.463 1.00 0.00 O ATOM 697 CB ALA A 46 -9.602 1.935 -9.092 1.00 0.00 C ATOM 0 H ALA A 46 -9.398 3.655 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.641 3.599 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.686 1.363 -10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.698 1.636 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.472 1.741 -8.465 1.00 0.00 H new ATOM 703 N ASP A 47 -11.853 4.185 -9.570 1.00 0.00 N ATOM 704 CA ASP A 47 -13.042 4.672 -10.249 1.00 0.00 C ATOM 705 C ASP A 47 -12.816 6.108 -10.736 1.00 0.00 C ATOM 706 O ASP A 47 -12.922 6.392 -11.927 1.00 0.00 O ATOM 707 CB ASP A 47 -14.254 4.564 -9.317 1.00 0.00 C ATOM 708 CG ASP A 47 -15.530 4.974 -10.040 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.130 4.080 -10.677 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.880 6.170 -9.945 1.00 0.00 O ATOM 0 H ASP A 47 -11.948 4.111 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.244 4.057 -11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.349 3.541 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.105 5.199 -8.444 1.00 0.00 H new ATOM 715 N GLU A 48 -12.492 7.017 -9.815 1.00 0.00 N ATOM 716 CA GLU A 48 -12.275 8.433 -10.099 1.00 0.00 C ATOM 717 C GLU A 48 -11.287 8.659 -11.253 1.00 0.00 C ATOM 718 O GLU A 48 -11.537 9.470 -12.144 1.00 0.00 O ATOM 719 CB GLU A 48 -11.799 9.133 -8.819 1.00 0.00 C ATOM 720 CG GLU A 48 -12.881 9.160 -7.727 1.00 0.00 C ATOM 721 CD GLU A 48 -12.320 9.675 -6.406 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.535 8.926 -5.788 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.680 10.814 -6.035 1.00 0.00 O ATOM 0 H GLU A 48 -12.371 6.782 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.222 8.864 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.914 8.623 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.501 10.154 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.707 9.795 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.285 8.157 -7.587 1.00 0.00 H new ATOM 730 N TYR A 49 -10.160 7.946 -11.235 1.00 0.00 N ATOM 731 CA TYR A 49 -9.110 8.041 -12.238 1.00 0.00 C ATOM 732 C TYR A 49 -9.227 6.919 -13.281 1.00 0.00 C ATOM 733 O TYR A 49 -8.249 6.625 -13.970 1.00 0.00 O ATOM 734 CB TYR A 49 -7.722 8.030 -11.573 1.00 0.00 C ATOM 735 CG TYR A 49 -7.369 9.222 -10.700 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.968 9.378 -9.436 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.325 10.090 -11.079 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.534 10.390 -8.564 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.862 11.078 -10.189 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.461 11.219 -8.926 1.00 0.00 C ATOM 741 OH TYR A 49 -5.991 12.139 -8.034 1.00 0.00 O ATOM 0 H TYR A 49 -9.951 7.270 -10.501 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.233 8.989 -12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.644 7.129 -10.964 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.970 7.950 -12.358 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.766 8.716 -9.135 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.878 9.997 -12.058 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.027 10.530 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.048 11.726 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.246 12.633 -8.436 1.00 0.00 H new ATOM 751 N GLN A 50 -10.395 6.281 -13.425 1.00 0.00 N ATOM 752 CA GLN A 50 -10.549 5.194 -14.385 1.00 0.00 C ATOM 753 C GLN A 50 -10.136 5.664 -15.782 1.00 0.00 C ATOM 754 O GLN A 50 -10.516 6.749 -16.219 1.00 0.00 O ATOM 755 CB GLN A 50 -11.987 4.658 -14.362 1.00 0.00 C ATOM 756 CG GLN A 50 -12.200 3.396 -15.210 1.00 0.00 C ATOM 757 CD GLN A 50 -11.341 2.193 -14.816 1.00 0.00 C ATOM 758 OE1 GLN A 50 -11.081 1.331 -15.647 1.00 0.00 O ATOM 759 NE2 GLN A 50 -10.869 2.109 -13.575 1.00 0.00 N ATOM 0 H GLN A 50 -11.237 6.500 -12.892 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.892 4.371 -14.105 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.266 4.441 -13.331 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.660 5.439 -14.717 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.250 3.109 -15.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.998 3.640 -16.253 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.094 2.834 -12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.282 1.320 -13.305 1.00 0.00 H new ATOM 768 N GLY A 51 -9.307 4.869 -16.464 1.00 0.00 N ATOM 769 CA GLY A 51 -8.800 5.199 -17.789 1.00 0.00 C ATOM 770 C GLY A 51 -7.624 6.181 -17.759 1.00 0.00 C ATOM 771 O GLY A 51 -6.889 6.269 -18.738 1.00 0.00 O ATOM 0 H GLY A 51 -8.970 3.975 -16.107 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.487 4.283 -18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.607 5.627 -18.383 1.00 0.00 H new ATOM 775 N LYS A 52 -7.431 6.912 -16.655 1.00 0.00 N ATOM 776 CA LYS A 52 -6.363 7.890 -16.497 1.00 0.00 C ATOM 777 C LYS A 52 -5.209 7.278 -15.697 1.00 0.00 C ATOM 778 O LYS A 52 -4.045 7.536 -15.996 1.00 0.00 O ATOM 779 CB LYS A 52 -6.929 9.157 -15.836 1.00 0.00 C ATOM 780 CG LYS A 52 -8.051 9.754 -16.704 1.00 0.00 C ATOM 781 CD LYS A 52 -8.583 11.093 -16.174 1.00 0.00 C ATOM 782 CE LYS A 52 -9.286 10.990 -14.816 1.00 0.00 C ATOM 783 NZ LYS A 52 -10.419 10.042 -14.837 1.00 0.00 N ATOM 0 H LYS A 52 -8.029 6.834 -15.832 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.962 8.174 -17.470 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.314 8.918 -14.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.135 9.891 -15.700 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.679 9.895 -17.719 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.874 9.042 -16.762 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.753 11.794 -16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.280 11.509 -16.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.566 10.675 -14.061 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.646 11.976 -14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.903 10.059 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.088 10.317 -15.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.065 9.082 -15.025 1.00 0.00 H new ATOM 797 N LEU A 53 -5.528 6.454 -14.694 1.00 0.00 N ATOM 798 CA LEU A 53 -4.561 5.758 -13.861 1.00 0.00 C ATOM 799 C LEU A 53 -5.039 4.321 -13.676 1.00 0.00 C ATOM 800 O LEU A 53 -6.172 4.098 -13.254 1.00 0.00 O ATOM 801 CB LEU A 53 -4.473 6.454 -12.500 1.00 0.00 C ATOM 802 CG LEU A 53 -3.478 5.800 -11.532 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.027 6.093 -11.930 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.755 6.340 -10.130 1.00 0.00 C ATOM 0 H LEU A 53 -6.494 6.252 -14.438 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.576 5.767 -14.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.186 7.495 -12.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.462 6.460 -12.041 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.608 4.718 -11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.351 5.614 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.839 5.704 -12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.858 7.170 -11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.059 5.889 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.627 7.422 -10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.777 6.094 -9.841 1.00 0.00 H new ATOM 816 N THR A 54 -4.174 3.346 -13.953 1.00 0.00 N ATOM 817 CA THR A 54 -4.504 1.945 -13.743 1.00 0.00 C ATOM 818 C THR A 54 -4.118 1.588 -12.307 1.00 0.00 C ATOM 819 O THR A 54 -2.936 1.440 -11.999 1.00 0.00 O ATOM 820 CB THR A 54 -3.761 1.088 -14.772 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.074 1.539 -16.073 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.105 -0.398 -14.664 1.00 0.00 C ATOM 0 H THR A 54 -3.238 3.506 -14.324 1.00 0.00 H new ATOM 0 HA THR A 54 -5.569 1.757 -13.879 1.00 0.00 H new ATOM 0 HB THR A 54 -2.696 1.194 -14.568 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.598 0.992 -16.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.549 -0.956 -15.418 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.837 -0.762 -13.672 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.174 -0.537 -14.825 1.00 0.00 H new ATOM 830 N VAL A 55 -5.093 1.452 -11.409 1.00 0.00 N ATOM 831 CA VAL A 55 -4.793 1.075 -10.037 1.00 0.00 C ATOM 832 C VAL A 55 -4.571 -0.437 -10.014 1.00 0.00 C ATOM 833 O VAL A 55 -5.368 -1.202 -10.561 1.00 0.00 O ATOM 834 CB VAL A 55 -5.911 1.533 -9.095 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.617 1.113 -7.652 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.022 3.063 -9.126 1.00 0.00 C ATOM 0 H VAL A 55 -6.083 1.596 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.889 1.568 -9.679 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.839 1.070 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.425 1.450 -7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.537 0.027 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.679 1.562 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.818 3.384 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.078 3.503 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.249 3.391 -10.140 1.00 0.00 H new ATOM 846 N ALA A 56 -3.470 -0.870 -9.405 1.00 0.00 N ATOM 847 CA ALA A 56 -3.077 -2.264 -9.338 1.00 0.00 C ATOM 848 C ALA A 56 -2.651 -2.630 -7.920 1.00 0.00 C ATOM 849 O ALA A 56 -2.186 -1.781 -7.160 1.00 0.00 O ATOM 850 CB ALA A 56 -1.956 -2.520 -10.350 1.00 0.00 C ATOM 0 H ALA A 56 -2.816 -0.243 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.925 -2.899 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.656 -3.567 -10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.312 -2.288 -11.354 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.101 -1.887 -10.113 1.00 0.00 H new ATOM 856 N LYS A 57 -2.796 -3.906 -7.571 1.00 0.00 N ATOM 857 CA LYS A 57 -2.417 -4.458 -6.282 1.00 0.00 C ATOM 858 C LYS A 57 -1.546 -5.682 -6.526 1.00 0.00 C ATOM 859 O LYS A 57 -1.775 -6.421 -7.479 1.00 0.00 O ATOM 860 CB LYS A 57 -3.663 -4.831 -5.465 1.00 0.00 C ATOM 861 CG LYS A 57 -4.146 -3.664 -4.594 1.00 0.00 C ATOM 862 CD LYS A 57 -5.394 -4.070 -3.792 1.00 0.00 C ATOM 863 CE LYS A 57 -5.845 -2.969 -2.825 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.914 -2.815 -1.692 1.00 0.00 N ATOM 0 H LYS A 57 -3.194 -4.603 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.861 -3.716 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.463 -5.135 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.438 -5.689 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.352 -3.359 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.375 -2.804 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.207 -4.302 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.183 -4.980 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.922 -2.024 -3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.840 -3.203 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.306 -2.134 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.781 -3.735 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.998 -2.468 -2.040 1.00 0.00 H new ATOM 878 N LEU A 58 -0.548 -5.900 -5.674 1.00 0.00 N ATOM 879 CA LEU A 58 0.350 -7.039 -5.761 1.00 0.00 C ATOM 880 C LEU A 58 0.480 -7.616 -4.359 1.00 0.00 C ATOM 881 O LEU A 58 0.928 -6.923 -3.448 1.00 0.00 O ATOM 882 CB LEU A 58 1.669 -6.568 -6.368 1.00 0.00 C ATOM 883 CG LEU A 58 2.627 -7.745 -6.597 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.476 -7.448 -7.826 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.551 -7.979 -5.395 1.00 0.00 C ATOM 0 H LEU A 58 -0.340 -5.278 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.019 -7.833 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.477 -6.063 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.137 -5.839 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 58 2.030 -8.646 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.163 -8.276 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.829 -7.322 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.045 -6.533 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.211 -8.821 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.149 -7.085 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.951 -8.197 -4.512 1.00 0.00 H new ATOM 897 N ASN A 59 0.053 -8.865 -4.157 1.00 0.00 N ATOM 898 CA ASN A 59 0.056 -9.458 -2.829 1.00 0.00 C ATOM 899 C ASN A 59 1.402 -10.108 -2.524 1.00 0.00 C ATOM 900 O ASN A 59 1.639 -11.241 -2.936 1.00 0.00 O ATOM 901 CB ASN A 59 -1.071 -10.481 -2.695 1.00 0.00 C ATOM 902 CG ASN A 59 -1.172 -11.048 -1.278 1.00 0.00 C ATOM 903 OD1 ASN A 59 -1.751 -12.112 -1.092 1.00 0.00 O ATOM 904 ND2 ASN A 59 -0.627 -10.385 -0.257 1.00 0.00 N ATOM 0 H ASN A 59 -0.296 -9.477 -4.895 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.109 -8.661 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.018 -10.013 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.905 -11.296 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.690 -10.763 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.147 -9.500 -0.422 1.00 0.00 H new ATOM 911 N ILE A 60 2.274 -9.431 -1.772 1.00 0.00 N ATOM 912 CA ILE A 60 3.594 -9.972 -1.462 1.00 0.00 C ATOM 913 C ILE A 60 3.535 -11.358 -0.809 1.00 0.00 C ATOM 914 O ILE A 60 4.455 -12.148 -0.992 1.00 0.00 O ATOM 915 CB ILE A 60 4.492 -8.980 -0.701 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.034 -8.714 0.741 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.620 -7.667 -1.490 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.184 -8.190 1.609 1.00 0.00 C ATOM 0 H ILE A 60 2.088 -8.512 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 60 4.083 -10.123 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 60 5.472 -9.450 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.220 -7.989 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.640 -9.633 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.257 -6.974 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.061 -7.870 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.633 -7.225 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.824 -8.013 2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.987 -8.927 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.560 -7.257 1.190 1.00 0.00 H new ATOM 930 N ASP A 61 2.456 -11.686 -0.086 1.00 0.00 N ATOM 931 CA ASP A 61 2.306 -13.010 0.517 1.00 0.00 C ATOM 932 C ASP A 61 2.394 -14.097 -0.559 1.00 0.00 C ATOM 933 O ASP A 61 3.040 -15.123 -0.366 1.00 0.00 O ATOM 934 CB ASP A 61 0.964 -13.144 1.252 1.00 0.00 C ATOM 935 CG ASP A 61 0.777 -12.138 2.382 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.662 -12.094 3.264 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.254 -11.427 2.338 1.00 0.00 O ATOM 0 H ASP A 61 1.678 -11.052 0.093 1.00 0.00 H new ATOM 0 HA ASP A 61 3.115 -13.133 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.153 -13.024 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.882 -14.152 1.659 1.00 0.00 H new ATOM 942 N GLN A 62 1.724 -13.863 -1.691 1.00 0.00 N ATOM 943 CA GLN A 62 1.658 -14.778 -2.823 1.00 0.00 C ATOM 944 C GLN A 62 2.710 -14.440 -3.882 1.00 0.00 C ATOM 945 O GLN A 62 2.978 -15.241 -4.777 1.00 0.00 O ATOM 946 CB GLN A 62 0.255 -14.685 -3.432 1.00 0.00 C ATOM 947 CG GLN A 62 -0.808 -15.053 -2.393 1.00 0.00 C ATOM 948 CD GLN A 62 -2.203 -15.059 -3.005 1.00 0.00 C ATOM 949 OE1 GLN A 62 -2.559 -15.965 -3.750 1.00 0.00 O ATOM 950 NE2 GLN A 62 -3.009 -14.048 -2.699 1.00 0.00 N ATOM 0 H GLN A 62 1.198 -13.003 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 62 1.862 -15.791 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.078 -13.674 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.180 -15.353 -4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.587 -16.036 -1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.774 -14.342 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.685 -13.308 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.952 -14.012 -3.087 1.00 0.00 H new ATOM 959 N ASN A 63 3.263 -13.228 -3.836 1.00 0.00 N ATOM 960 CA ASN A 63 4.209 -12.715 -4.816 1.00 0.00 C ATOM 961 C ASN A 63 5.429 -12.148 -4.077 1.00 0.00 C ATOM 962 O ASN A 63 5.726 -10.958 -4.202 1.00 0.00 O ATOM 963 CB ASN A 63 3.494 -11.634 -5.657 1.00 0.00 C ATOM 964 CG ASN A 63 2.039 -11.925 -6.031 1.00 0.00 C ATOM 965 OD1 ASN A 63 1.201 -11.030 -5.985 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.700 -13.162 -6.392 1.00 0.00 N ATOM 0 H ASN A 63 3.057 -12.560 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 63 4.558 -13.501 -5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.525 -10.694 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.061 -11.484 -6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.733 -13.375 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.408 -13.896 -6.426 1.00 0.00 H new ATOM 973 N PRO A 64 6.138 -12.969 -3.284 1.00 0.00 N ATOM 974 CA PRO A 64 7.236 -12.502 -2.456 1.00 0.00 C ATOM 975 C PRO A 64 8.397 -11.917 -3.249 1.00 0.00 C ATOM 976 O PRO A 64 8.825 -10.811 -2.944 1.00 0.00 O ATOM 977 CB PRO A 64 7.660 -13.698 -1.599 1.00 0.00 C ATOM 978 CG PRO A 64 7.177 -14.911 -2.393 1.00 0.00 C ATOM 979 CD PRO A 64 5.904 -14.387 -3.052 1.00 0.00 C ATOM 0 HA PRO A 64 6.907 -11.667 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.740 -13.721 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.205 -13.661 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.913 -15.233 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.978 -15.766 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.703 -14.909 -3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.038 -14.541 -2.409 1.00 0.00 H new ATOM 987 N GLY A 65 8.920 -12.648 -4.242 1.00 0.00 N ATOM 988 CA GLY A 65 10.091 -12.247 -5.026 1.00 0.00 C ATOM 989 C GLY A 65 10.056 -10.782 -5.468 1.00 0.00 C ATOM 990 O GLY A 65 11.058 -10.070 -5.388 1.00 0.00 O ATOM 0 H GLY A 65 8.534 -13.548 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.991 -12.419 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.163 -12.883 -5.908 1.00 0.00 H new ATOM 994 N THR A 66 8.894 -10.322 -5.924 1.00 0.00 N ATOM 995 CA THR A 66 8.676 -8.956 -6.360 1.00 0.00 C ATOM 996 C THR A 66 9.114 -7.922 -5.310 1.00 0.00 C ATOM 997 O THR A 66 9.599 -6.852 -5.673 1.00 0.00 O ATOM 998 CB THR A 66 7.214 -8.801 -6.824 1.00 0.00 C ATOM 999 OG1 THR A 66 6.497 -10.014 -6.653 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.189 -8.441 -8.314 1.00 0.00 C ATOM 0 H THR A 66 8.062 -10.907 -6.000 1.00 0.00 H new ATOM 0 HA THR A 66 9.319 -8.745 -7.215 1.00 0.00 H new ATOM 0 HB THR A 66 6.750 -8.017 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.326 -10.161 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.156 -8.331 -8.644 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.722 -7.503 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.671 -9.233 -8.888 1.00 0.00 H new ATOM 1008 N ALA A 67 8.983 -8.225 -4.012 1.00 0.00 N ATOM 1009 CA ALA A 67 9.385 -7.308 -2.953 1.00 0.00 C ATOM 1010 C ALA A 67 10.868 -6.913 -3.055 1.00 0.00 C ATOM 1011 O ALA A 67 11.140 -5.753 -3.367 1.00 0.00 O ATOM 1012 CB ALA A 67 8.951 -7.826 -1.574 1.00 0.00 C ATOM 0 H ALA A 67 8.598 -9.107 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 67 8.848 -6.369 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.265 -7.120 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.866 -7.930 -1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.413 -8.795 -1.388 1.00 0.00 H new ATOM 1018 N PRO A 68 11.843 -7.811 -2.823 1.00 0.00 N ATOM 1019 CA PRO A 68 13.246 -7.465 -2.967 1.00 0.00 C ATOM 1020 C PRO A 68 13.556 -7.013 -4.396 1.00 0.00 C ATOM 1021 O PRO A 68 14.326 -6.069 -4.557 1.00 0.00 O ATOM 1022 CB PRO A 68 14.045 -8.705 -2.555 1.00 0.00 C ATOM 1023 CG PRO A 68 13.061 -9.852 -2.768 1.00 0.00 C ATOM 1024 CD PRO A 68 11.720 -9.203 -2.430 1.00 0.00 C ATOM 0 HA PRO A 68 13.517 -6.621 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.940 -8.826 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.372 -8.645 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.086 -10.223 -3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.278 -10.699 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.904 -9.690 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.500 -9.291 -1.366 1.00 0.00 H new ATOM 1032 N LYS A 69 12.958 -7.635 -5.426 1.00 0.00 N ATOM 1033 CA LYS A 69 13.202 -7.219 -6.810 1.00 0.00 C ATOM 1034 C LYS A 69 12.994 -5.712 -6.987 1.00 0.00 C ATOM 1035 O LYS A 69 13.778 -5.071 -7.684 1.00 0.00 O ATOM 1036 CB LYS A 69 12.294 -7.962 -7.796 1.00 0.00 C ATOM 1037 CG LYS A 69 12.714 -9.414 -8.057 1.00 0.00 C ATOM 1038 CD LYS A 69 11.690 -10.056 -9.003 1.00 0.00 C ATOM 1039 CE LYS A 69 12.032 -11.519 -9.292 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.053 -12.117 -10.218 1.00 0.00 N ATOM 0 H LYS A 69 12.311 -8.417 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 69 14.241 -7.469 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.274 -7.953 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.283 -7.422 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.710 -9.446 -8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.763 -9.968 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.696 -9.995 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.657 -9.497 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.032 -11.585 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.048 -12.084 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.204 -13.145 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.090 -11.924 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.174 -11.704 -11.165 1.00 0.00 H new ATOM 1054 N TYR A 70 11.950 -5.150 -6.367 1.00 0.00 N ATOM 1055 CA TYR A 70 11.656 -3.726 -6.463 1.00 0.00 C ATOM 1056 C TYR A 70 12.040 -2.980 -5.183 1.00 0.00 C ATOM 1057 O TYR A 70 11.587 -1.860 -4.957 1.00 0.00 O ATOM 1058 CB TYR A 70 10.196 -3.546 -6.891 1.00 0.00 C ATOM 1059 CG TYR A 70 10.000 -3.907 -8.350 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.386 -2.987 -9.343 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.712 -5.236 -8.711 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.481 -3.393 -10.685 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.858 -5.658 -10.043 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.254 -4.736 -11.027 1.00 0.00 C ATOM 1065 OH TYR A 70 10.425 -5.143 -12.314 1.00 0.00 O ATOM 0 H TYR A 70 11.291 -5.671 -5.789 1.00 0.00 H new ATOM 0 HA TYR A 70 12.275 -3.266 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.553 -4.171 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.891 -2.512 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.610 -1.966 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.377 -5.936 -7.960 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.728 -2.674 -11.452 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.667 -6.687 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 70 9.555 -5.370 -12.704 1.00 0.00 H new ATOM 1075 N GLY A 71 12.910 -3.577 -4.364 1.00 0.00 N ATOM 1076 CA GLY A 71 13.426 -2.980 -3.145 1.00 0.00 C ATOM 1077 C GLY A 71 12.333 -2.466 -2.212 1.00 0.00 C ATOM 1078 O GLY A 71 12.502 -1.421 -1.588 1.00 0.00 O ATOM 0 H GLY A 71 13.279 -4.511 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.029 -3.718 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.089 -2.155 -3.406 1.00 0.00 H new ATOM 1082 N ILE A 72 11.219 -3.193 -2.087 1.00 0.00 N ATOM 1083 CA ILE A 72 10.157 -2.793 -1.169 1.00 0.00 C ATOM 1084 C ILE A 72 10.740 -2.673 0.242 1.00 0.00 C ATOM 1085 O ILE A 72 11.409 -3.589 0.720 1.00 0.00 O ATOM 1086 CB ILE A 72 8.967 -3.770 -1.247 1.00 0.00 C ATOM 1087 CG1 ILE A 72 7.978 -3.364 -2.351 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.167 -3.849 0.065 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.614 -3.193 -3.731 1.00 0.00 C ATOM 0 H ILE A 72 11.033 -4.052 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 72 9.762 -1.818 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 72 9.416 -4.740 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.194 -4.118 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.497 -2.428 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.343 -4.553 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.820 -4.187 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.770 -2.864 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.848 -2.906 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.378 -2.417 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.070 -4.133 -4.041 1.00 0.00 H new ATOM 1101 N ARG A 73 10.508 -1.520 0.874 1.00 0.00 N ATOM 1102 CA ARG A 73 10.999 -1.192 2.203 1.00 0.00 C ATOM 1103 C ARG A 73 9.963 -1.578 3.260 1.00 0.00 C ATOM 1104 O ARG A 73 10.297 -2.198 4.264 1.00 0.00 O ATOM 1105 CB ARG A 73 11.332 0.305 2.268 1.00 0.00 C ATOM 1106 CG ARG A 73 12.358 0.815 1.242 1.00 0.00 C ATOM 1107 CD ARG A 73 13.755 0.198 1.391 1.00 0.00 C ATOM 1108 NE ARG A 73 13.768 -1.183 0.897 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.509 -2.185 1.380 1.00 0.00 C ATOM 1110 NH1 ARG A 73 15.603 -1.930 2.105 1.00 0.00 N ATOM 1111 NH2 ARG A 73 14.130 -3.445 1.143 1.00 0.00 N ATOM 0 H ARG A 73 9.956 -0.770 0.457 1.00 0.00 H new ATOM 0 HA ARG A 73 11.907 -1.758 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.408 0.868 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.705 0.531 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.986 0.607 0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.440 1.898 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.482 0.794 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.057 0.218 2.438 1.00 0.00 H new ATOM 0 HE ARG A 73 13.154 -1.399 0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.877 -0.966 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.164 -2.700 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.286 -3.630 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.685 -4.221 1.505 1.00 0.00 H new ATOM 1125 N GLY A 74 8.700 -1.211 3.033 1.00 0.00 N ATOM 1126 CA GLY A 74 7.599 -1.510 3.932 1.00 0.00 C ATOM 1127 C GLY A 74 6.302 -1.382 3.146 1.00 0.00 C ATOM 1128 O GLY A 74 6.210 -0.537 2.256 1.00 0.00 O ATOM 0 H GLY A 74 8.416 -0.689 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.701 -2.517 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.601 -0.823 4.779 1.00 0.00 H new ATOM 1132 N ILE A 75 5.319 -2.228 3.458 1.00 0.00 N ATOM 1133 CA ILE A 75 4.024 -2.256 2.793 1.00 0.00 C ATOM 1134 C ILE A 75 2.979 -1.501 3.630 1.00 0.00 C ATOM 1135 O ILE A 75 3.085 -1.508 4.856 1.00 0.00 O ATOM 1136 CB ILE A 75 3.596 -3.708 2.523 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.750 -4.588 3.773 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.408 -4.292 1.357 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.882 -5.835 3.667 1.00 0.00 C ATOM 0 H ILE A 75 5.407 -2.926 4.196 1.00 0.00 H new ATOM 0 HA ILE A 75 4.104 -1.750 1.831 1.00 0.00 H new ATOM 0 HB ILE A 75 2.540 -3.698 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.794 -4.876 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.471 -4.019 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.096 -5.320 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.236 -3.697 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.469 -4.274 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.007 -6.443 4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.836 -5.543 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.180 -6.413 2.792 1.00 0.00 H new ATOM 1151 N PRO A 76 1.959 -0.870 3.021 1.00 0.00 N ATOM 1152 CA PRO A 76 1.706 -0.798 1.588 1.00 0.00 C ATOM 1153 C PRO A 76 2.770 0.042 0.878 1.00 0.00 C ATOM 1154 O PRO A 76 3.198 1.059 1.417 1.00 0.00 O ATOM 1155 CB PRO A 76 0.325 -0.146 1.444 1.00 0.00 C ATOM 1156 CG PRO A 76 0.163 0.662 2.729 1.00 0.00 C ATOM 1157 CD PRO A 76 0.929 -0.164 3.761 1.00 0.00 C ATOM 0 HA PRO A 76 1.740 -1.788 1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.275 0.492 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.461 -0.894 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.577 1.665 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.886 0.776 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.367 0.476 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.266 -0.863 4.272 1.00 0.00 H new ATOM 1165 N THR A 77 3.207 -0.390 -0.310 1.00 0.00 N ATOM 1166 CA THR A 77 4.198 0.342 -1.095 1.00 0.00 C ATOM 1167 C THR A 77 3.540 0.697 -2.427 1.00 0.00 C ATOM 1168 O THR A 77 3.289 -0.197 -3.234 1.00 0.00 O ATOM 1169 CB THR A 77 5.473 -0.490 -1.328 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.695 -1.400 -0.273 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.680 0.451 -1.403 1.00 0.00 C ATOM 0 H THR A 77 2.884 -1.252 -0.749 1.00 0.00 H new ATOM 0 HA THR A 77 4.509 1.237 -0.557 1.00 0.00 H new ATOM 0 HB THR A 77 5.345 -1.046 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.753 -0.911 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.586 -0.132 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.544 1.152 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.769 1.004 -0.468 1.00 0.00 H new ATOM 1179 N LEU A 78 3.243 1.979 -2.648 1.00 0.00 N ATOM 1180 CA LEU A 78 2.593 2.465 -3.855 1.00 0.00 C ATOM 1181 C LEU A 78 3.668 2.853 -4.870 1.00 0.00 C ATOM 1182 O LEU A 78 4.153 3.984 -4.844 1.00 0.00 O ATOM 1183 CB LEU A 78 1.652 3.649 -3.543 1.00 0.00 C ATOM 1184 CG LEU A 78 0.924 3.589 -2.193 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.019 4.814 -2.067 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.053 2.342 -2.044 1.00 0.00 C ATOM 0 H LEU A 78 3.454 2.718 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 78 1.971 1.676 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.234 4.570 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.905 3.713 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 78 1.688 3.562 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.504 4.783 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.623 5.720 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.708 4.814 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.437 2.354 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.702 2.330 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.676 1.451 -2.126 1.00 0.00 H new ATOM 1198 N LEU A 79 4.051 1.936 -5.764 1.00 0.00 N ATOM 1199 CA LEU A 79 5.027 2.208 -6.814 1.00 0.00 C ATOM 1200 C LEU A 79 4.248 2.696 -8.027 1.00 0.00 C ATOM 1201 O LEU A 79 3.480 1.934 -8.609 1.00 0.00 O ATOM 1202 CB LEU A 79 5.833 0.954 -7.184 1.00 0.00 C ATOM 1203 CG LEU A 79 7.016 0.663 -6.248 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.573 0.123 -4.887 1.00 0.00 C ATOM 1205 CD2 LEU A 79 7.972 -0.345 -6.893 1.00 0.00 C ATOM 0 H LEU A 79 3.689 0.982 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 79 5.743 2.953 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.164 0.093 -7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.209 1.065 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 79 7.521 1.615 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.450 -0.065 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.932 0.855 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.021 -0.807 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.805 -0.540 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.440 -1.275 -7.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.353 0.062 -7.830 1.00 0.00 H new ATOM 1217 N LEU A 80 4.440 3.954 -8.423 1.00 0.00 N ATOM 1218 CA LEU A 80 3.749 4.506 -9.576 1.00 0.00 C ATOM 1219 C LEU A 80 4.623 4.287 -10.802 1.00 0.00 C ATOM 1220 O LEU A 80 5.608 4.992 -11.000 1.00 0.00 O ATOM 1221 CB LEU A 80 3.404 5.968 -9.307 1.00 0.00 C ATOM 1222 CG LEU A 80 2.645 6.675 -10.450 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.752 5.776 -11.317 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.722 7.713 -9.814 1.00 0.00 C ATOM 0 H LEU A 80 5.071 4.607 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 80 2.799 4.005 -9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.801 6.024 -8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.327 6.514 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 80 3.415 7.079 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.268 6.377 -12.087 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.361 5.004 -11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.992 5.307 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.168 8.234 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.022 7.215 -9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.317 8.432 -9.250 1.00 0.00 H new ATOM 1236 N PHE A 81 4.255 3.300 -11.617 1.00 0.00 N ATOM 1237 CA PHE A 81 4.945 2.922 -12.834 1.00 0.00 C ATOM 1238 C PHE A 81 4.361 3.673 -14.023 1.00 0.00 C ATOM 1239 O PHE A 81 3.217 3.421 -14.386 1.00 0.00 O ATOM 1240 CB PHE A 81 4.781 1.414 -13.055 1.00 0.00 C ATOM 1241 CG PHE A 81 5.776 0.582 -12.278 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.494 0.170 -10.963 1.00 0.00 C ATOM 1243 CD2 PHE A 81 6.984 0.203 -12.886 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.403 -0.656 -10.281 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.889 -0.624 -12.208 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.612 -1.029 -10.893 1.00 0.00 C ATOM 0 H PHE A 81 3.434 2.723 -11.434 1.00 0.00 H new ATOM 0 HA PHE A 81 6.002 3.173 -12.741 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.771 1.120 -12.769 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.888 1.196 -14.118 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.582 0.487 -10.479 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.217 0.551 -13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.172 -1.005 -9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.796 -0.949 -12.695 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.329 -1.628 -10.351 1.00 0.00 H new ATOM 1256 N LYS A 82 5.143 4.540 -14.668 1.00 0.00 N ATOM 1257 CA LYS A 82 4.757 5.226 -15.890 1.00 0.00 C ATOM 1258 C LYS A 82 5.636 4.670 -17.006 1.00 0.00 C ATOM 1259 O LYS A 82 6.859 4.649 -16.871 1.00 0.00 O ATOM 1260 CB LYS A 82 4.904 6.745 -15.753 1.00 0.00 C ATOM 1261 CG LYS A 82 3.846 7.316 -14.803 1.00 0.00 C ATOM 1262 CD LYS A 82 3.937 8.847 -14.699 1.00 0.00 C ATOM 1263 CE LYS A 82 3.326 9.550 -15.919 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.530 11.010 -15.856 1.00 0.00 N ATOM 0 H LYS A 82 6.079 4.786 -14.345 1.00 0.00 H new ATOM 0 HA LYS A 82 3.704 5.052 -16.113 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.900 6.985 -15.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.809 7.213 -16.733 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.853 7.034 -15.153 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.971 6.877 -13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.424 9.179 -13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.982 9.141 -14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.776 9.157 -16.831 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.259 9.332 -15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.782 11.489 -16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.495 11.323 -14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.457 11.249 -16.262 1.00 0.00 H new ATOM 1278 N ASN A 83 5.023 4.172 -18.084 1.00 0.00 N ATOM 1279 CA ASN A 83 5.741 3.577 -19.210 1.00 0.00 C ATOM 1280 C ASN A 83 6.692 2.488 -18.697 1.00 0.00 C ATOM 1281 O ASN A 83 7.863 2.431 -19.065 1.00 0.00 O ATOM 1282 CB ASN A 83 6.456 4.673 -20.022 1.00 0.00 C ATOM 1283 CG ASN A 83 6.795 4.234 -21.448 1.00 0.00 C ATOM 1284 OD1 ASN A 83 6.247 4.764 -22.407 1.00 0.00 O ATOM 1285 ND2 ASN A 83 7.698 3.276 -21.619 1.00 0.00 N ATOM 0 H ASN A 83 4.009 4.171 -18.199 1.00 0.00 H new ATOM 0 HA ASN A 83 5.041 3.094 -19.892 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.823 5.560 -20.061 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.374 4.959 -19.508 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.945 2.970 -22.560 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.144 2.846 -20.809 1.00 0.00 H new ATOM 1292 N GLY A 84 6.184 1.629 -17.810 1.00 0.00 N ATOM 1293 CA GLY A 84 6.951 0.546 -17.217 1.00 0.00 C ATOM 1294 C GLY A 84 8.128 0.978 -16.337 1.00 0.00 C ATOM 1295 O GLY A 84 8.865 0.106 -15.886 1.00 0.00 O ATOM 0 H GLY A 84 5.218 1.672 -17.484 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.278 -0.067 -16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.332 -0.088 -18.018 1.00 0.00 H new ATOM 1299 N GLU A 85 8.304 2.273 -16.042 1.00 0.00 N ATOM 1300 CA GLU A 85 9.383 2.752 -15.183 1.00 0.00 C ATOM 1301 C GLU A 85 8.808 3.427 -13.944 1.00 0.00 C ATOM 1302 O GLU A 85 7.804 4.131 -14.019 1.00 0.00 O ATOM 1303 CB GLU A 85 10.278 3.731 -15.947 1.00 0.00 C ATOM 1304 CG GLU A 85 10.999 3.059 -17.120 1.00 0.00 C ATOM 1305 CD GLU A 85 11.879 1.881 -16.701 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.525 2.001 -15.636 1.00 0.00 O ATOM 1307 OE2 GLU A 85 11.898 0.888 -17.459 1.00 0.00 O ATOM 0 H GLU A 85 7.699 3.015 -16.395 1.00 0.00 H new ATOM 0 HA GLU A 85 9.985 1.898 -14.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.674 4.558 -16.320 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.014 4.156 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.258 2.711 -17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.615 3.800 -17.630 1.00 0.00 H new ATOM 1314 N VAL A 86 9.461 3.220 -12.801 1.00 0.00 N ATOM 1315 CA VAL A 86 9.041 3.807 -11.538 1.00 0.00 C ATOM 1316 C VAL A 86 9.196 5.330 -11.609 1.00 0.00 C ATOM 1317 O VAL A 86 10.314 5.840 -11.612 1.00 0.00 O ATOM 1318 CB VAL A 86 9.843 3.205 -10.368 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.460 3.861 -9.037 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.575 1.700 -10.239 1.00 0.00 C ATOM 0 H VAL A 86 10.296 2.639 -12.729 1.00 0.00 H new ATOM 0 HA VAL A 86 7.991 3.577 -11.359 1.00 0.00 H new ATOM 0 HB VAL A 86 10.896 3.386 -10.583 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.043 3.415 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.666 4.930 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.398 3.705 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.152 1.298 -9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.513 1.534 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.869 1.198 -11.161 1.00 0.00 H new ATOM 1330 N ALA A 87 8.074 6.052 -11.638 1.00 0.00 N ATOM 1331 CA ALA A 87 8.045 7.507 -11.639 1.00 0.00 C ATOM 1332 C ALA A 87 8.265 8.001 -10.210 1.00 0.00 C ATOM 1333 O ALA A 87 9.029 8.935 -9.982 1.00 0.00 O ATOM 1334 CB ALA A 87 6.697 7.994 -12.180 1.00 0.00 C ATOM 0 H ALA A 87 7.146 5.629 -11.662 1.00 0.00 H new ATOM 0 HA ALA A 87 8.833 7.902 -12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.677 9.084 -12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.560 7.629 -13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.893 7.617 -11.548 1.00 0.00 H new ATOM 1340 N ALA A 88 7.613 7.346 -9.244 1.00 0.00 N ATOM 1341 CA ALA A 88 7.743 7.643 -7.830 1.00 0.00 C ATOM 1342 C ALA A 88 7.305 6.421 -7.033 1.00 0.00 C ATOM 1343 O ALA A 88 6.774 5.454 -7.587 1.00 0.00 O ATOM 1344 CB ALA A 88 6.907 8.868 -7.452 1.00 0.00 C ATOM 0 H ALA A 88 6.968 6.579 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 88 8.783 7.876 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.020 9.071 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.247 9.731 -8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.858 8.675 -7.675 1.00 0.00 H new ATOM 1350 N THR A 89 7.534 6.449 -5.721 1.00 0.00 N ATOM 1351 CA THR A 89 7.192 5.355 -4.832 1.00 0.00 C ATOM 1352 C THR A 89 6.809 5.922 -3.471 1.00 0.00 C ATOM 1353 O THR A 89 7.547 6.738 -2.927 1.00 0.00 O ATOM 1354 CB THR A 89 8.380 4.389 -4.748 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.625 3.856 -6.032 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.108 3.237 -3.777 1.00 0.00 C ATOM 0 H THR A 89 7.966 7.242 -5.247 1.00 0.00 H new ATOM 0 HA THR A 89 6.336 4.795 -5.210 1.00 0.00 H new ATOM 0 HB THR A 89 9.244 4.944 -4.382 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.384 3.238 -5.990 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.974 2.575 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.922 3.637 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.235 2.677 -4.112 1.00 0.00 H new ATOM 1364 N LYS A 90 5.661 5.494 -2.941 1.00 0.00 N ATOM 1365 CA LYS A 90 5.160 5.920 -1.644 1.00 0.00 C ATOM 1366 C LYS A 90 5.210 4.716 -0.709 1.00 0.00 C ATOM 1367 O LYS A 90 4.478 3.751 -0.908 1.00 0.00 O ATOM 1368 CB LYS A 90 3.739 6.482 -1.800 1.00 0.00 C ATOM 1369 CG LYS A 90 3.379 7.499 -0.713 1.00 0.00 C ATOM 1370 CD LYS A 90 3.147 6.855 0.665 1.00 0.00 C ATOM 1371 CE LYS A 90 2.925 7.905 1.759 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.184 8.574 2.129 1.00 0.00 N ATOM 0 H LYS A 90 5.047 4.830 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 90 5.770 6.718 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.646 6.954 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.023 5.660 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.179 8.235 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.480 8.037 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.281 6.194 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.006 6.236 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.206 8.647 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.492 7.429 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.014 9.217 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.889 7.860 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.539 9.118 1.317 1.00 0.00 H new ATOM 1386 N VAL A 91 6.070 4.769 0.307 1.00 0.00 N ATOM 1387 CA VAL A 91 6.209 3.715 1.298 1.00 0.00 C ATOM 1388 C VAL A 91 5.276 4.043 2.468 1.00 0.00 C ATOM 1389 O VAL A 91 5.386 5.124 3.046 1.00 0.00 O ATOM 1390 CB VAL A 91 7.675 3.646 1.762 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.896 2.496 2.752 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.648 3.476 0.585 1.00 0.00 C ATOM 0 H VAL A 91 6.697 5.559 0.463 1.00 0.00 H new ATOM 0 HA VAL A 91 5.940 2.744 0.882 1.00 0.00 H new ATOM 0 HB VAL A 91 7.879 4.597 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.942 2.476 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.263 2.643 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.640 1.550 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.670 3.432 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.418 2.553 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.548 4.322 -0.095 1.00 0.00 H new ATOM 1402 N GLY A 92 4.365 3.131 2.815 1.00 0.00 N ATOM 1403 CA GLY A 92 3.432 3.296 3.918 1.00 0.00 C ATOM 1404 C GLY A 92 2.076 3.831 3.454 1.00 0.00 C ATOM 1405 O GLY A 92 1.918 4.281 2.320 1.00 0.00 O ATOM 0 H GLY A 92 4.258 2.243 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.291 2.338 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.858 3.979 4.653 1.00 0.00 H new ATOM 1409 N ALA A 93 1.085 3.766 4.350 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.264 4.250 4.082 1.00 0.00 C ATOM 1411 C ALA A 93 -0.287 5.778 4.032 1.00 0.00 C ATOM 1412 O ALA A 93 0.698 6.436 4.361 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.227 3.699 5.136 1.00 0.00 C ATOM 0 H ALA A 93 1.202 3.374 5.284 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.591 3.893 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.235 4.062 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.220 2.610 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.913 4.032 6.125 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.418 6.344 3.603 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.585 7.776 3.424 1.00 0.00 C ATOM 1421 C LEU A 94 -3.069 8.125 3.385 1.00 0.00 C ATOM 1422 O LEU A 94 -3.914 7.229 3.365 1.00 0.00 O ATOM 1423 CB LEU A 94 -0.840 8.214 2.154 1.00 0.00 C ATOM 1424 CG LEU A 94 -1.478 7.814 0.809 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.442 8.026 -0.297 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -1.960 6.360 0.712 1.00 0.00 C ATOM 0 H LEU A 94 -2.252 5.806 3.369 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.155 8.320 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.740 9.299 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.168 7.800 2.190 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.364 8.441 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.874 7.748 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.146 9.075 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.433 7.406 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.391 6.185 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.117 5.686 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.715 6.175 1.477 1.00 0.00 H new ATOM 1438 N SER A 95 -3.386 9.421 3.371 1.00 0.00 N ATOM 1439 CA SER A 95 -4.759 9.894 3.305 1.00 0.00 C ATOM 1440 C SER A 95 -5.223 9.924 1.848 1.00 0.00 C ATOM 1441 O SER A 95 -4.409 9.921 0.923 1.00 0.00 O ATOM 1442 CB SER A 95 -4.836 11.298 3.915 1.00 0.00 C ATOM 1443 OG SER A 95 -4.170 12.219 3.071 1.00 0.00 O ATOM 0 H SER A 95 -2.693 10.169 3.405 1.00 0.00 H new ATOM 0 HA SER A 95 -5.409 9.222 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.877 11.593 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.380 11.301 4.905 1.00 0.00 H new ATOM 0 HG SER A 95 -3.538 12.749 3.600 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.539 10.012 1.637 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.095 10.143 0.300 1.00 0.00 C ATOM 1451 C LYS A 96 -6.507 11.394 -0.366 1.00 0.00 C ATOM 1452 O LYS A 96 -6.149 11.368 -1.541 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.626 10.187 0.400 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.294 10.123 -0.979 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.810 9.947 -0.803 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.540 9.897 -2.149 1.00 0.00 C ATOM 1457 NZ LYS A 96 -11.106 8.749 -2.963 1.00 0.00 N ATOM 0 H LYS A 96 -7.236 9.994 2.382 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.832 9.289 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.974 9.353 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.930 11.102 0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.085 11.034 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.885 9.293 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.007 9.029 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.204 10.770 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.615 9.836 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.357 10.821 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.518 8.823 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.068 8.746 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.425 7.866 -2.516 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.378 12.480 0.404 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.793 13.727 -0.056 1.00 0.00 C ATOM 1473 C GLY A 97 -4.355 13.508 -0.519 1.00 0.00 C ATOM 1474 O GLY A 97 -4.028 13.782 -1.672 1.00 0.00 O ATOM 0 H GLY A 97 -6.684 12.509 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.387 14.133 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.814 14.463 0.748 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.491 12.990 0.364 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.099 12.732 0.018 1.00 0.00 C ATOM 1480 C GLN A 98 -2.006 11.810 -1.200 1.00 0.00 C ATOM 1481 O GLN A 98 -1.174 12.037 -2.076 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.332 12.185 1.227 1.00 0.00 C ATOM 1483 CG GLN A 98 -0.731 13.297 2.103 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.766 14.271 2.662 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -2.330 14.039 3.729 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -2.030 15.370 1.964 1.00 0.00 N ATOM 0 H GLN A 98 -3.738 12.743 1.322 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.625 13.674 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.003 11.575 1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.533 11.531 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.191 12.841 2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.002 13.855 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.549 15.541 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.714 16.043 2.311 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.861 10.789 -1.279 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.880 9.892 -2.422 1.00 0.00 C ATOM 1497 C LEU A 99 -3.205 10.676 -3.696 1.00 0.00 C ATOM 1498 O LEU A 99 -2.426 10.644 -4.646 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.851 8.732 -2.155 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.936 7.673 -3.267 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.567 7.117 -3.680 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.787 6.506 -2.753 1.00 0.00 C ATOM 0 H LEU A 99 -3.549 10.567 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.896 9.449 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.555 8.239 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.847 9.144 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.371 8.155 -4.142 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.698 6.375 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.940 7.929 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.089 6.651 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.861 5.741 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.321 6.080 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.785 6.866 -2.502 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.321 11.410 -3.721 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.690 12.216 -4.880 1.00 0.00 C ATOM 1516 C LYS A 100 -3.553 13.157 -5.281 1.00 0.00 C ATOM 1517 O LYS A 100 -3.216 13.244 -6.461 1.00 0.00 O ATOM 1518 CB LYS A 100 -5.976 13.009 -4.613 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.200 12.094 -4.681 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.493 12.909 -4.581 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.691 12.031 -4.948 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.959 12.768 -4.811 1.00 0.00 N ATOM 0 H LYS A 100 -4.984 11.460 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.876 11.534 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.922 13.479 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.074 13.810 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.189 11.533 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.160 11.365 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.612 13.297 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.443 13.769 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.584 11.676 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.709 11.150 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.732 12.209 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.155 12.938 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.887 13.679 -5.308 1.00 0.00 H new ATOM 1536 N GLU A 101 -2.960 13.846 -4.304 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.850 14.763 -4.524 1.00 0.00 C ATOM 1538 C GLU A 101 -0.686 14.027 -5.195 1.00 0.00 C ATOM 1539 O GLU A 101 -0.204 14.450 -6.242 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.425 15.372 -3.184 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.491 16.323 -2.617 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.402 16.469 -1.101 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.287 16.284 -0.562 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.458 16.747 -0.493 1.00 0.00 O ATOM 0 H GLU A 101 -3.244 13.779 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.161 15.569 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.235 14.573 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.488 15.914 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.380 17.304 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.481 15.954 -2.885 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.249 12.917 -4.594 1.00 0.00 N ATOM 1552 CA PHE A 102 0.836 12.082 -5.097 1.00 0.00 C ATOM 1553 C PHE A 102 0.576 11.687 -6.552 1.00 0.00 C ATOM 1554 O PHE A 102 1.411 11.899 -7.434 1.00 0.00 O ATOM 1555 CB PHE A 102 0.970 10.841 -4.201 1.00 0.00 C ATOM 1556 CG PHE A 102 2.006 9.829 -4.655 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.376 10.069 -4.439 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.599 8.625 -5.263 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.330 9.106 -4.811 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.554 7.667 -5.647 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.920 7.906 -5.418 1.00 0.00 C ATOM 0 H PHE A 102 -0.652 12.569 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 102 1.772 12.640 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.220 11.166 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.001 10.346 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.695 10.996 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.549 8.437 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.379 9.288 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.238 6.748 -6.118 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.654 7.169 -5.708 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.599 11.105 -6.801 1.00 0.00 N ATOM 1572 CA LEU A 103 -0.986 10.655 -8.126 1.00 0.00 C ATOM 1573 C LEU A 103 -0.987 11.820 -9.111 1.00 0.00 C ATOM 1574 O LEU A 103 -0.358 11.732 -10.161 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.357 9.972 -8.063 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.332 8.697 -7.210 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.760 8.189 -7.026 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.426 7.613 -7.799 1.00 0.00 C ATOM 0 H LEU A 103 -1.305 10.935 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.258 9.927 -8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.089 10.668 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.684 9.725 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.906 8.946 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.749 7.283 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.356 8.952 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.196 7.969 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.446 6.733 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.781 7.343 -8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.405 7.990 -7.868 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.670 12.916 -8.774 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.740 14.099 -9.619 1.00 0.00 C ATOM 1592 C ASP A 104 -0.336 14.597 -9.968 1.00 0.00 C ATOM 1593 O ASP A 104 -0.028 14.801 -11.139 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.553 15.194 -8.923 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.610 16.452 -9.782 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.442 16.462 -10.715 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.816 17.374 -9.495 1.00 0.00 O ATOM 0 H ASP A 104 -2.191 13.003 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.242 13.836 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.563 14.835 -8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.106 15.427 -7.957 1.00 0.00 H new ATOM 1602 N ALA A 105 0.511 14.774 -8.954 1.00 0.00 N ATOM 1603 CA ALA A 105 1.883 15.234 -9.121 1.00 0.00 C ATOM 1604 C ALA A 105 2.657 14.344 -10.095 1.00 0.00 C ATOM 1605 O ALA A 105 3.461 14.841 -10.881 1.00 0.00 O ATOM 1606 CB ALA A 105 2.578 15.288 -7.757 1.00 0.00 C ATOM 0 H ALA A 105 0.257 14.599 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 105 1.862 16.236 -9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.604 15.632 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.043 15.977 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.582 14.293 -7.311 1.00 0.00 H new ATOM 1612 N ASN A 106 2.410 13.032 -10.060 1.00 0.00 N ATOM 1613 CA ASN A 106 3.106 12.093 -10.931 1.00 0.00 C ATOM 1614 C ASN A 106 2.519 12.131 -12.339 1.00 0.00 C ATOM 1615 O ASN A 106 3.266 12.175 -13.312 1.00 0.00 O ATOM 1616 CB ASN A 106 2.985 10.670 -10.382 1.00 0.00 C ATOM 1617 CG ASN A 106 4.075 10.346 -9.373 1.00 0.00 C ATOM 1618 OD1 ASN A 106 5.095 9.770 -9.735 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.866 10.688 -8.105 1.00 0.00 N ATOM 0 H ASN A 106 1.731 12.599 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 106 4.156 12.384 -10.969 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.009 10.546 -9.912 1.00 0.00 H new ATOM 0 HB3 ASN A 106 3.034 9.959 -11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.567 10.472 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.005 11.167 -7.841 1.00 0.00 H new ATOM 1626 N LEU A 107 1.190 12.111 -12.463 1.00 0.00 N ATOM 1627 CA LEU A 107 0.514 12.162 -13.750 1.00 0.00 C ATOM 1628 C LEU A 107 0.929 13.436 -14.486 1.00 0.00 C ATOM 1629 O LEU A 107 1.302 13.388 -15.656 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.004 12.093 -13.535 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.483 10.701 -13.083 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -2.894 10.811 -12.496 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.503 9.701 -14.247 1.00 0.00 C ATOM 0 H LEU A 107 0.555 12.059 -11.667 1.00 0.00 H new ATOM 0 HA LEU A 107 0.800 11.309 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.294 12.832 -12.788 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.510 12.362 -14.462 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.783 10.337 -12.331 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.233 9.826 -12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.880 11.486 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.574 11.200 -13.254 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.846 8.731 -13.887 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.178 10.060 -15.024 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.498 9.601 -14.658 1.00 0.00 H new ATOM 1645 N ALA A 108 0.900 14.576 -13.790 1.00 0.00 N ATOM 1646 CA ALA A 108 1.319 15.855 -14.337 1.00 0.00 C ATOM 1647 C ALA A 108 2.792 15.782 -14.739 1.00 0.00 C ATOM 1648 O ALA A 108 3.302 16.686 -15.403 1.00 0.00 O ATOM 1649 CB ALA A 108 1.085 16.955 -13.297 1.00 0.00 C ATOM 0 H ALA A 108 0.581 14.630 -12.823 1.00 0.00 H new ATOM 0 HA ALA A 108 0.733 16.090 -15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.399 17.915 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.026 16.997 -13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.664 16.736 -12.400 1.00 0.00 H new TER 1655 ALA A 108