USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 684 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 22 TYR OH : rot 25:sc= 0.606 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.711 X(o=0.49,f=0.81) USER MOD Set 1.3: A 105 SER OG : rot -151:sc= 0.598 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 1.05 K(o=2.4,f=-4.6!) USER MOD Set 2.2: A 119 THR OG1 : rot 73:sc= 1.31 USER MOD Set 3.1: A 64 MET CE :methyl -155:sc= -0.0406 (180deg=-0.263) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.05 K(o=1,f=-0.48) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.03 K(o=2.4,f=-4.3!) USER MOD Set 4.2: A 40 SER OG : rot -110:sc= 1.35 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.09) USER MOD Single : A 29 SER OG : rot 119:sc= 1.17 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= 0.92 (180deg=0.704) USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00753 USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.732 K(o=0.73,f=-4.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 154:sc= 0.343 USER MOD Single : A 65 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -0.0545 USER MOD Single : A 71 CYS SG : rot -120:sc= -1.42 USER MOD Single : A 73 CYS SG : rot 138:sc= 0.717 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.409 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.082) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.31) USER MOD Single : A 106 THR OG1 : rot -151:sc= 0.235 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 1.16 (180deg=1.11) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 0.799 (180deg=0.745) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.563 -8.535 15.853 1.00 0.00 N ATOM 47 CA ALA A 4 -7.132 -9.005 14.545 1.00 0.00 C ATOM 48 C ALA A 4 -5.784 -9.720 14.713 1.00 0.00 C ATOM 49 O ALA A 4 -5.301 -9.899 15.834 1.00 0.00 O ATOM 50 CB ALA A 4 -7.001 -7.799 13.599 1.00 0.00 C ATOM 0 HA ALA A 4 -7.855 -9.700 14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.678 -8.141 12.616 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.966 -7.299 13.511 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.266 -7.101 13.999 1.00 0.00 H new ATOM 56 N ASP A 5 -5.162 -10.085 13.595 1.00 0.00 N ATOM 57 CA ASP A 5 -3.793 -10.580 13.499 1.00 0.00 C ATOM 58 C ASP A 5 -3.250 -10.049 12.175 1.00 0.00 C ATOM 59 O ASP A 5 -4.023 -9.879 11.227 1.00 0.00 O ATOM 60 CB ASP A 5 -3.760 -12.113 13.519 1.00 0.00 C ATOM 61 CG ASP A 5 -2.331 -12.630 13.292 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.936 -12.820 12.121 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.597 -12.824 14.286 1.00 0.00 O ATOM 0 H ASP A 5 -5.623 -10.041 12.686 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.192 -10.245 14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.136 -12.477 14.475 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.421 -12.506 12.746 1.00 0.00 H new ATOM 68 N LEU A 6 -1.948 -9.761 12.097 1.00 0.00 N ATOM 69 CA LEU A 6 -1.346 -9.107 10.941 1.00 0.00 C ATOM 70 C LEU A 6 -1.605 -9.866 9.637 1.00 0.00 C ATOM 71 O LEU A 6 -1.782 -9.229 8.598 1.00 0.00 O ATOM 72 CB LEU A 6 0.167 -8.929 11.153 1.00 0.00 C ATOM 73 CG LEU A 6 0.594 -8.066 12.357 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.114 -7.871 12.340 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.084 -6.692 12.362 1.00 0.00 C ATOM 0 H LEU A 6 -1.282 -9.977 12.839 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.820 -8.130 10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.615 -9.916 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.589 -8.488 10.250 1.00 0.00 H new ATOM 0 HG LEU A 6 0.283 -8.596 13.257 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.412 -7.261 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.606 -8.842 12.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.406 -7.372 11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.251 -6.124 13.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.180 -6.153 11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.165 -6.820 12.407 1.00 0.00 H new ATOM 87 N ALA A 7 -1.658 -11.203 9.670 1.00 0.00 N ATOM 88 CA ALA A 7 -1.887 -12.014 8.485 1.00 0.00 C ATOM 89 C ALA A 7 -3.314 -11.867 7.938 1.00 0.00 C ATOM 90 O ALA A 7 -3.546 -12.153 6.762 1.00 0.00 O ATOM 91 CB ALA A 7 -1.594 -13.485 8.798 1.00 0.00 C ATOM 0 H ALA A 7 -1.542 -11.747 10.525 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.209 -11.656 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.767 -14.088 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.555 -13.590 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.251 -13.824 9.599 1.00 0.00 H new ATOM 97 N LEU A 8 -4.275 -11.452 8.773 1.00 0.00 N ATOM 98 CA LEU A 8 -5.678 -11.312 8.380 1.00 0.00 C ATOM 99 C LEU A 8 -5.923 -9.985 7.658 1.00 0.00 C ATOM 100 O LEU A 8 -6.929 -9.856 6.959 1.00 0.00 O ATOM 101 CB LEU A 8 -6.601 -11.399 9.611 1.00 0.00 C ATOM 102 CG LEU A 8 -6.533 -12.731 10.385 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.421 -12.649 11.631 1.00 0.00 C ATOM 104 CD2 LEU A 8 -6.971 -13.928 9.531 1.00 0.00 C ATOM 0 H LEU A 8 -4.097 -11.203 9.746 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.906 -12.131 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.349 -10.587 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.629 -11.236 9.287 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.492 -12.888 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.371 -13.592 12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.073 -11.840 12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.451 -12.457 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.905 -14.841 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.000 -13.783 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.320 -14.012 8.661 1.00 0.00 H new ATOM 116 N ILE A 9 -5.038 -8.996 7.825 1.00 0.00 N ATOM 117 CA ILE A 9 -5.169 -7.695 7.176 1.00 0.00 C ATOM 118 C ILE A 9 -4.999 -7.918 5.660 1.00 0.00 C ATOM 119 O ILE A 9 -4.044 -8.600 5.271 1.00 0.00 O ATOM 120 CB ILE A 9 -4.125 -6.693 7.727 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.148 -6.632 9.276 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.375 -5.291 7.137 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.049 -5.757 9.887 1.00 0.00 C ATOM 0 H ILE A 9 -4.211 -9.079 8.416 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.147 -7.260 7.381 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.138 -7.043 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.118 -6.255 9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.052 -7.644 9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.636 -4.593 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.292 -5.333 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.374 -4.954 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.136 -5.769 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.072 -6.144 9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.155 -4.734 9.526 1.00 0.00 H new ATOM 135 N PRO A 10 -5.873 -7.355 4.801 1.00 0.00 N ATOM 136 CA PRO A 10 -5.684 -7.350 3.354 1.00 0.00 C ATOM 137 C PRO A 10 -4.283 -6.869 2.980 1.00 0.00 C ATOM 138 O PRO A 10 -3.845 -5.814 3.447 1.00 0.00 O ATOM 139 CB PRO A 10 -6.762 -6.411 2.804 1.00 0.00 C ATOM 140 CG PRO A 10 -7.881 -6.520 3.834 1.00 0.00 C ATOM 141 CD PRO A 10 -7.115 -6.677 5.146 1.00 0.00 C ATOM 0 HA PRO A 10 -5.775 -8.352 2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.397 -5.388 2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.096 -6.719 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.515 -5.633 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.529 -7.374 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.917 -5.707 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.690 -7.257 5.868 1.00 0.00 H new ATOM 149 N ASP A 11 -3.581 -7.612 2.126 1.00 0.00 N ATOM 150 CA ASP A 11 -2.191 -7.308 1.776 1.00 0.00 C ATOM 151 C ASP A 11 -2.107 -6.203 0.724 1.00 0.00 C ATOM 152 O ASP A 11 -1.295 -5.284 0.833 1.00 0.00 O ATOM 153 CB ASP A 11 -1.512 -8.578 1.262 1.00 0.00 C ATOM 154 CG ASP A 11 0.000 -8.399 1.166 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.602 -7.977 2.176 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.588 -8.784 0.133 1.00 0.00 O ATOM 0 H ASP A 11 -3.955 -8.438 1.658 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.680 -6.950 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.740 -9.410 1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.913 -8.836 0.282 1.00 0.00 H new ATOM 161 N VAL A 12 -3.039 -6.220 -0.230 1.00 0.00 N ATOM 162 CA VAL A 12 -3.192 -5.227 -1.283 1.00 0.00 C ATOM 163 C VAL A 12 -4.692 -4.945 -1.366 1.00 0.00 C ATOM 164 O VAL A 12 -5.494 -5.880 -1.426 1.00 0.00 O ATOM 165 CB VAL A 12 -2.631 -5.765 -2.622 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.712 -4.703 -3.731 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.169 -6.223 -2.510 1.00 0.00 C ATOM 0 H VAL A 12 -3.737 -6.962 -0.288 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.637 -4.313 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.254 -6.624 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.310 -5.113 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.752 -4.414 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.131 -3.828 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.828 -6.590 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.547 -5.383 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.093 -7.021 -1.772 1.00 0.00 H new ATOM 177 N ASP A 13 -5.073 -3.668 -1.356 1.00 0.00 N ATOM 178 CA ASP A 13 -6.434 -3.227 -1.641 1.00 0.00 C ATOM 179 C ASP A 13 -6.300 -1.823 -2.210 1.00 0.00 C ATOM 180 O ASP A 13 -5.651 -0.973 -1.594 1.00 0.00 O ATOM 181 CB ASP A 13 -7.324 -3.239 -0.390 1.00 0.00 C ATOM 182 CG ASP A 13 -8.786 -2.892 -0.732 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.258 -3.230 -1.840 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.498 -2.335 0.133 1.00 0.00 O ATOM 0 H ASP A 13 -4.434 -2.901 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.921 -3.904 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.283 -4.223 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.940 -2.524 0.338 1.00 0.00 H new ATOM 189 N ILE A 14 -6.828 -1.613 -3.414 1.00 0.00 N ATOM 190 CA ILE A 14 -6.616 -0.417 -4.221 1.00 0.00 C ATOM 191 C ILE A 14 -7.870 -0.127 -5.057 1.00 0.00 C ATOM 192 O ILE A 14 -8.748 -0.988 -5.177 1.00 0.00 O ATOM 193 CB ILE A 14 -5.365 -0.597 -5.130 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.451 -1.875 -6.004 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.058 -0.575 -4.313 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.309 -2.038 -7.015 1.00 0.00 C ATOM 0 H ILE A 14 -7.435 -2.295 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.435 0.435 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.351 0.257 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.465 -2.746 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.398 -1.866 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.208 -0.704 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.970 0.379 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.071 -1.385 -3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.453 -2.959 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.304 -1.189 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.358 -2.083 -6.485 1.00 0.00 H new ATOM 266 N PHE A 20 -3.188 6.921 -9.919 1.00 0.00 N ATOM 267 CA PHE A 20 -3.663 7.237 -8.573 1.00 0.00 C ATOM 268 C PHE A 20 -2.541 7.011 -7.560 1.00 0.00 C ATOM 269 O PHE A 20 -1.682 6.150 -7.756 1.00 0.00 O ATOM 270 CB PHE A 20 -4.881 6.369 -8.216 1.00 0.00 C ATOM 271 CG PHE A 20 -4.618 4.869 -8.212 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.564 4.146 -9.422 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.393 4.196 -6.996 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.290 2.766 -9.413 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.134 2.814 -6.986 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.089 2.098 -8.193 1.00 0.00 C ATOM 0 HA PHE A 20 -3.964 8.284 -8.544 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.242 6.663 -7.230 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.681 6.581 -8.925 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.734 4.654 -10.360 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.419 4.744 -6.066 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.234 2.220 -10.343 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.970 2.303 -6.049 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.900 1.035 -8.184 1.00 0.00 H new ATOM 286 N LYS A 21 -2.531 7.791 -6.479 1.00 0.00 N ATOM 287 CA LYS A 21 -1.505 7.703 -5.444 1.00 0.00 C ATOM 288 C LYS A 21 -1.749 6.484 -4.559 1.00 0.00 C ATOM 289 O LYS A 21 -2.891 6.051 -4.379 1.00 0.00 O ATOM 290 CB LYS A 21 -1.504 8.999 -4.626 1.00 0.00 C ATOM 291 CG LYS A 21 -0.884 10.150 -5.435 1.00 0.00 C ATOM 292 CD LYS A 21 -1.014 11.486 -4.700 1.00 0.00 C ATOM 293 CE LYS A 21 -0.375 12.602 -5.541 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.507 13.934 -4.903 1.00 0.00 N ATOM 0 H LYS A 21 -3.238 8.504 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.525 7.581 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.524 9.256 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.943 8.852 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.168 9.938 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.374 10.219 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.065 11.711 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.527 11.426 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.681 12.379 -5.695 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.843 12.625 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.249 14.674 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.490 14.075 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.125 13.989 -4.079 1.00 0.00 H new ATOM 308 N TYR A 22 -0.677 5.959 -3.970 1.00 0.00 N ATOM 309 CA TYR A 22 -0.711 4.844 -3.037 1.00 0.00 C ATOM 310 C TYR A 22 0.391 5.066 -1.985 1.00 0.00 C ATOM 311 O TYR A 22 1.330 5.834 -2.219 1.00 0.00 O ATOM 312 CB TYR A 22 -0.556 3.515 -3.814 1.00 0.00 C ATOM 313 CG TYR A 22 0.841 2.963 -3.749 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.854 3.553 -4.519 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.152 2.026 -2.748 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.194 3.273 -4.226 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.490 1.742 -2.449 1.00 0.00 C ATOM 318 CZ TYR A 22 3.510 2.401 -3.161 1.00 0.00 C ATOM 319 OH TYR A 22 4.795 2.223 -2.779 1.00 0.00 O ATOM 0 H TYR A 22 0.266 6.311 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.665 4.785 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.252 2.780 -3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.831 3.675 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.602 4.218 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.360 1.526 -2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.983 3.722 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.737 1.025 -1.680 1.00 0.00 H new ATOM 0 HH TYR A 22 5.322 3.010 -3.028 1.00 0.00 H new ATOM 329 N VAL A 23 0.313 4.378 -0.846 1.00 0.00 N ATOM 330 CA VAL A 23 1.343 4.378 0.189 1.00 0.00 C ATOM 331 C VAL A 23 1.674 2.938 0.579 1.00 0.00 C ATOM 332 O VAL A 23 0.838 2.031 0.469 1.00 0.00 O ATOM 333 CB VAL A 23 0.937 5.232 1.411 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.925 6.730 1.075 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.420 4.818 2.000 1.00 0.00 C ATOM 0 H VAL A 23 -0.488 3.791 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 23 2.242 4.844 -0.214 1.00 0.00 H new ATOM 0 HB VAL A 23 1.698 5.046 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.635 7.299 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.920 7.039 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.211 6.917 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.654 5.452 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.195 4.931 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.375 3.777 2.321 1.00 0.00 H new ATOM 345 N LEU A 24 2.902 2.748 1.060 1.00 0.00 N ATOM 346 CA LEU A 24 3.427 1.477 1.528 1.00 0.00 C ATOM 347 C LEU A 24 3.496 1.645 3.038 1.00 0.00 C ATOM 348 O LEU A 24 4.234 2.510 3.516 1.00 0.00 O ATOM 349 CB LEU A 24 4.820 1.253 0.903 1.00 0.00 C ATOM 350 CG LEU A 24 5.395 -0.175 0.966 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.447 -0.771 2.376 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.622 -1.121 0.046 1.00 0.00 C ATOM 0 H LEU A 24 3.580 3.507 1.135 1.00 0.00 H new ATOM 0 HA LEU A 24 2.823 0.612 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.774 1.553 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.524 1.923 1.396 1.00 0.00 H new ATOM 0 HG LEU A 24 6.426 -0.076 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.864 -1.777 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.074 -0.146 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.440 -0.814 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.050 -2.122 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.576 -1.153 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.688 -0.764 -0.982 1.00 0.00 H new ATOM 364 N ILE A 25 2.710 0.880 3.791 1.00 0.00 N ATOM 365 CA ILE A 25 2.567 1.075 5.230 1.00 0.00 C ATOM 366 C ILE A 25 3.057 -0.189 5.920 1.00 0.00 C ATOM 367 O ILE A 25 2.621 -1.294 5.598 1.00 0.00 O ATOM 368 CB ILE A 25 1.112 1.484 5.580 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.887 2.958 5.166 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.798 1.304 7.077 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.555 3.455 5.323 1.00 0.00 C ATOM 0 H ILE A 25 2.155 0.108 3.421 1.00 0.00 H new ATOM 0 HA ILE A 25 3.178 1.902 5.592 1.00 0.00 H new ATOM 0 HB ILE A 25 0.437 0.828 5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.543 3.593 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.187 3.079 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.232 1.604 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.930 0.258 7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.473 1.923 7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.617 4.497 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.218 2.850 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.857 3.372 6.367 1.00 0.00 H new ATOM 383 N ARG A 26 3.997 -0.016 6.847 1.00 0.00 N ATOM 384 CA ARG A 26 4.425 -1.057 7.764 1.00 0.00 C ATOM 385 C ARG A 26 3.412 -1.089 8.899 1.00 0.00 C ATOM 386 O ARG A 26 2.866 -0.050 9.267 1.00 0.00 O ATOM 387 CB ARG A 26 5.837 -0.740 8.276 1.00 0.00 C ATOM 388 CG ARG A 26 6.419 -1.880 9.130 1.00 0.00 C ATOM 389 CD ARG A 26 7.941 -1.782 9.288 1.00 0.00 C ATOM 390 NE ARG A 26 8.379 -0.559 9.991 1.00 0.00 N ATOM 391 CZ ARG A 26 9.634 -0.088 10.003 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.608 -0.732 9.360 1.00 0.00 N ATOM 393 NH2 ARG A 26 9.919 1.028 10.659 1.00 0.00 N ATOM 0 H ARG A 26 4.488 0.868 6.980 1.00 0.00 H new ATOM 0 HA ARG A 26 4.469 -2.033 7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.495 -0.553 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.810 0.176 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.954 -1.864 10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.166 -2.837 8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.299 -2.655 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.404 -1.811 8.302 1.00 0.00 H new ATOM 0 HE ARG A 26 7.673 -0.033 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.402 -1.592 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.559 -0.365 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.183 1.530 11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.874 1.385 10.667 1.00 0.00 H new ATOM 407 N VAL A 27 3.215 -2.265 9.472 1.00 0.00 N ATOM 408 CA VAL A 27 2.269 -2.583 10.520 1.00 0.00 C ATOM 409 C VAL A 27 3.070 -3.389 11.547 1.00 0.00 C ATOM 410 O VAL A 27 3.968 -4.146 11.167 1.00 0.00 O ATOM 411 CB VAL A 27 1.104 -3.425 9.939 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.091 -3.435 10.901 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.592 -2.978 8.555 1.00 0.00 C ATOM 0 H VAL A 27 3.756 -3.083 9.192 1.00 0.00 H new ATOM 0 HA VAL A 27 1.824 -1.694 10.968 1.00 0.00 H new ATOM 0 HB VAL A 27 1.536 -4.418 9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.897 -4.031 10.474 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.213 -3.866 11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.439 -2.414 11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.221 -3.631 8.240 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.231 -1.951 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.405 -3.035 7.831 1.00 0.00 H new ATOM 423 N HIS A 28 2.736 -3.273 12.828 1.00 0.00 N ATOM 424 CA HIS A 28 3.352 -4.014 13.922 1.00 0.00 C ATOM 425 C HIS A 28 2.222 -4.580 14.782 1.00 0.00 C ATOM 426 O HIS A 28 1.162 -3.951 14.890 1.00 0.00 O ATOM 427 CB HIS A 28 4.233 -3.073 14.755 1.00 0.00 C ATOM 428 CG HIS A 28 5.280 -2.343 13.949 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.473 -2.865 13.509 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.215 -1.051 13.496 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.117 -1.911 12.820 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.388 -0.780 12.776 1.00 0.00 N ATOM 0 H HIS A 28 2.003 -2.638 13.144 1.00 0.00 H new ATOM 0 HA HIS A 28 3.982 -4.819 13.542 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.597 -2.342 15.253 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.727 -3.650 15.536 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.401 -0.361 13.664 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.088 -2.034 12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.637 0.094 12.314 1.00 0.00 H new ATOM 440 N SER A 29 2.433 -5.749 15.393 1.00 0.00 N ATOM 441 CA SER A 29 1.448 -6.406 16.239 1.00 0.00 C ATOM 442 C SER A 29 1.089 -5.527 17.442 1.00 0.00 C ATOM 443 O SER A 29 1.830 -5.458 18.425 1.00 0.00 O ATOM 444 CB SER A 29 1.970 -7.759 16.723 1.00 0.00 C ATOM 445 OG SER A 29 2.314 -8.622 15.657 1.00 0.00 O ATOM 0 H SER A 29 3.307 -6.268 15.309 1.00 0.00 H new ATOM 0 HA SER A 29 0.550 -6.566 15.643 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.844 -7.602 17.355 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.211 -8.237 17.342 1.00 0.00 H new ATOM 0 HG SER A 29 3.266 -8.846 15.712 1.00 0.00 H new ATOM 451 N ALA A 30 -0.063 -4.866 17.354 1.00 0.00 N ATOM 452 CA ALA A 30 -0.709 -4.154 18.441 1.00 0.00 C ATOM 453 C ALA A 30 -2.257 -4.231 18.409 1.00 0.00 C ATOM 454 O ALA A 30 -2.860 -3.361 19.038 1.00 0.00 O ATOM 455 CB ALA A 30 -0.197 -2.702 18.448 1.00 0.00 C ATOM 0 H ALA A 30 -0.590 -4.813 16.483 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.439 -4.646 19.376 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.673 -2.152 19.260 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.883 -2.698 18.592 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.438 -2.226 17.497 1.00 0.00 H new ATOM 461 N PRO A 31 -2.959 -5.181 17.730 1.00 0.00 N ATOM 462 CA PRO A 31 -4.412 -5.306 17.876 1.00 0.00 C ATOM 463 C PRO A 31 -4.882 -5.256 19.335 1.00 0.00 C ATOM 464 O PRO A 31 -4.125 -5.604 20.244 1.00 0.00 O ATOM 465 CB PRO A 31 -4.817 -6.631 17.229 1.00 0.00 C ATOM 466 CG PRO A 31 -3.736 -6.858 16.185 1.00 0.00 C ATOM 467 CD PRO A 31 -2.499 -6.207 16.795 1.00 0.00 C ATOM 0 HA PRO A 31 -4.889 -4.456 17.389 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.848 -7.441 17.958 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.807 -6.571 16.776 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.578 -7.920 15.997 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.999 -6.401 15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.889 -6.949 17.310 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.875 -5.766 16.018 1.00 0.00 H new ATOM 561 N GLU A 39 5.172 -9.165 16.099 1.00 0.00 N ATOM 562 CA GLU A 39 5.663 -9.275 14.734 1.00 0.00 C ATOM 563 C GLU A 39 5.474 -7.932 14.006 1.00 0.00 C ATOM 564 O GLU A 39 4.932 -6.972 14.569 1.00 0.00 O ATOM 565 CB GLU A 39 4.913 -10.412 14.010 1.00 0.00 C ATOM 566 CG GLU A 39 4.984 -11.779 14.713 1.00 0.00 C ATOM 567 CD GLU A 39 6.426 -12.257 14.965 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.181 -12.478 13.991 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.811 -12.451 16.141 1.00 0.00 O ATOM 0 HA GLU A 39 6.727 -9.512 14.739 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.866 -10.128 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.320 -10.514 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.456 -11.719 15.665 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.463 -12.520 14.106 1.00 0.00 H new ATOM 576 N SER A 40 5.882 -7.886 12.735 1.00 0.00 N ATOM 577 CA SER A 40 5.665 -6.761 11.834 1.00 0.00 C ATOM 578 C SER A 40 5.330 -7.296 10.436 1.00 0.00 C ATOM 579 O SER A 40 5.630 -8.451 10.114 1.00 0.00 O ATOM 580 CB SER A 40 6.892 -5.840 11.795 1.00 0.00 C ATOM 581 OG SER A 40 7.402 -5.543 13.089 1.00 0.00 O ATOM 0 H SER A 40 6.387 -8.656 12.296 1.00 0.00 H new ATOM 0 HA SER A 40 4.829 -6.165 12.199 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.675 -6.311 11.201 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.626 -4.910 11.292 1.00 0.00 H new ATOM 0 HG SER A 40 7.225 -4.603 13.303 1.00 0.00 H new ATOM 587 N LYS A 41 4.672 -6.471 9.620 1.00 0.00 N ATOM 588 CA LYS A 41 4.065 -6.825 8.335 1.00 0.00 C ATOM 589 C LYS A 41 3.971 -5.541 7.503 1.00 0.00 C ATOM 590 O LYS A 41 4.102 -4.455 8.062 1.00 0.00 O ATOM 591 CB LYS A 41 2.696 -7.452 8.675 1.00 0.00 C ATOM 592 CG LYS A 41 1.839 -7.976 7.515 1.00 0.00 C ATOM 593 CD LYS A 41 0.660 -7.037 7.210 1.00 0.00 C ATOM 594 CE LYS A 41 -0.323 -7.632 6.192 1.00 0.00 C ATOM 595 NZ LYS A 41 0.333 -7.990 4.910 1.00 0.00 N ATOM 0 H LYS A 41 4.541 -5.486 9.849 1.00 0.00 H new ATOM 0 HA LYS A 41 4.634 -7.542 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.869 -8.279 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.111 -6.706 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.458 -8.084 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.460 -8.968 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.128 -6.815 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.044 -6.091 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.789 -8.520 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.121 -6.915 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.371 -7.978 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.084 -7.302 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.746 -8.941 4.985 1.00 0.00 H new ATOM 609 N GLU A 42 3.720 -5.612 6.195 1.00 0.00 N ATOM 610 CA GLU A 42 3.524 -4.427 5.354 1.00 0.00 C ATOM 611 C GLU A 42 2.264 -4.611 4.505 1.00 0.00 C ATOM 612 O GLU A 42 1.874 -5.750 4.237 1.00 0.00 O ATOM 613 CB GLU A 42 4.743 -4.162 4.448 1.00 0.00 C ATOM 614 CG GLU A 42 6.074 -3.883 5.168 1.00 0.00 C ATOM 615 CD GLU A 42 6.772 -5.142 5.725 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.909 -6.151 4.996 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.243 -5.113 6.884 1.00 0.00 O ATOM 0 H GLU A 42 3.646 -6.493 5.687 1.00 0.00 H new ATOM 0 HA GLU A 42 3.408 -3.561 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.880 -5.025 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.515 -3.311 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.751 -3.384 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.891 -3.190 5.989 1.00 0.00 H new ATOM 624 N ILE A 43 1.651 -3.509 4.066 1.00 0.00 N ATOM 625 CA ILE A 43 0.437 -3.466 3.251 1.00 0.00 C ATOM 626 C ILE A 43 0.559 -2.371 2.180 1.00 0.00 C ATOM 627 O ILE A 43 1.320 -1.411 2.341 1.00 0.00 O ATOM 628 CB ILE A 43 -0.829 -3.246 4.126 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.776 -1.963 4.990 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.104 -4.484 4.989 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.077 -1.643 5.746 1.00 0.00 C ATOM 0 H ILE A 43 2.006 -2.577 4.281 1.00 0.00 H new ATOM 0 HA ILE A 43 0.326 -4.431 2.756 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.658 -3.098 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.034 -2.061 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.528 -1.118 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.993 -4.314 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.264 -5.348 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.250 -4.670 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.946 -0.728 6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.889 -1.508 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.319 -2.466 6.419 1.00 0.00 H new ATOM 643 N VAL A 44 -0.233 -2.506 1.113 1.00 0.00 N ATOM 644 CA VAL A 44 -0.307 -1.580 -0.016 1.00 0.00 C ATOM 645 C VAL A 44 -1.742 -1.045 -0.048 1.00 0.00 C ATOM 646 O VAL A 44 -2.678 -1.838 -0.209 1.00 0.00 O ATOM 647 CB VAL A 44 0.045 -2.337 -1.321 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.003 -1.439 -2.564 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.432 -2.994 -1.270 1.00 0.00 C ATOM 0 H VAL A 44 -0.867 -3.298 1.010 1.00 0.00 H new ATOM 0 HA VAL A 44 0.397 -0.754 0.081 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.725 -3.104 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.259 -2.026 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.999 -1.026 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.720 -0.626 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.625 -3.510 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.192 -2.228 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.465 -3.711 -0.450 1.00 0.00 H new ATOM 659 N ARG A 45 -1.927 0.272 0.105 1.00 0.00 N ATOM 660 CA ARG A 45 -3.224 0.957 0.015 1.00 0.00 C ATOM 661 C ARG A 45 -3.065 2.095 -0.985 1.00 0.00 C ATOM 662 O ARG A 45 -2.036 2.768 -0.957 1.00 0.00 O ATOM 663 CB ARG A 45 -3.631 1.572 1.374 1.00 0.00 C ATOM 664 CG ARG A 45 -3.904 0.607 2.541 1.00 0.00 C ATOM 665 CD ARG A 45 -5.102 -0.323 2.340 1.00 0.00 C ATOM 666 NE ARG A 45 -4.675 -1.578 1.723 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.467 -2.739 2.344 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.941 -3.004 3.558 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.729 -3.644 1.733 1.00 0.00 N ATOM 0 H ARG A 45 -1.156 0.910 0.301 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.988 0.240 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.841 2.257 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.528 2.170 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.014 -0.001 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.064 1.191 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.578 -0.526 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.847 0.164 1.711 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.521 -1.564 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.491 -2.303 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.755 -3.908 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.337 -3.445 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.550 -4.543 2.180 1.00 0.00 H new ATOM 683 N GLY A 46 -4.065 2.366 -1.822 1.00 0.00 N ATOM 684 CA GLY A 46 -4.034 3.516 -2.714 1.00 0.00 C ATOM 685 C GLY A 46 -5.284 3.595 -3.559 1.00 0.00 C ATOM 686 O GLY A 46 -5.753 2.579 -4.071 1.00 0.00 O ATOM 0 H GLY A 46 -4.910 1.799 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.931 4.429 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.159 3.452 -3.361 1.00 0.00 H new ATOM 690 N TYR A 47 -5.829 4.798 -3.708 1.00 0.00 N ATOM 691 CA TYR A 47 -7.137 5.000 -4.310 1.00 0.00 C ATOM 692 C TYR A 47 -7.170 6.401 -4.902 1.00 0.00 C ATOM 693 O TYR A 47 -6.533 7.309 -4.362 1.00 0.00 O ATOM 694 CB TYR A 47 -8.234 4.889 -3.237 1.00 0.00 C ATOM 695 CG TYR A 47 -8.118 3.726 -2.264 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.332 3.868 -1.104 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.822 2.528 -2.486 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.288 2.842 -0.144 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.771 1.489 -1.542 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.028 1.655 -0.353 1.00 0.00 C ATOM 701 OH TYR A 47 -8.079 0.691 0.606 1.00 0.00 O ATOM 0 H TYR A 47 -5.373 5.661 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.312 4.246 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.243 5.815 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.198 4.817 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.759 4.771 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.405 2.407 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.692 2.960 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.299 0.565 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.634 -0.054 0.292 1.00 0.00 H new ATOM 711 N LYS A 48 -7.954 6.608 -5.963 1.00 0.00 N ATOM 712 CA LYS A 48 -8.069 7.923 -6.594 1.00 0.00 C ATOM 713 C LYS A 48 -8.599 8.987 -5.624 1.00 0.00 C ATOM 714 O LYS A 48 -8.237 10.154 -5.772 1.00 0.00 O ATOM 715 CB LYS A 48 -8.926 7.805 -7.869 1.00 0.00 C ATOM 716 CG LYS A 48 -8.957 9.067 -8.751 1.00 0.00 C ATOM 717 CD LYS A 48 -7.565 9.504 -9.244 1.00 0.00 C ATOM 718 CE LYS A 48 -7.634 10.614 -10.302 1.00 0.00 C ATOM 719 NZ LYS A 48 -8.139 11.901 -9.764 1.00 0.00 N ATOM 0 H LYS A 48 -8.518 5.881 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.074 8.264 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.551 6.973 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.947 7.556 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.598 8.883 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.408 9.884 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.976 9.852 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.044 8.642 -9.661 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.641 10.768 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.280 10.290 -11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.275 12.574 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.046 11.743 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.450 12.289 -9.089 1.00 0.00 H new ATOM 733 N TRP A 49 -9.416 8.616 -4.626 1.00 0.00 N ATOM 734 CA TRP A 49 -9.909 9.578 -3.641 1.00 0.00 C ATOM 735 C TRP A 49 -8.778 10.187 -2.802 1.00 0.00 C ATOM 736 O TRP A 49 -8.896 11.342 -2.388 1.00 0.00 O ATOM 737 CB TRP A 49 -11.042 8.992 -2.777 1.00 0.00 C ATOM 738 CG TRP A 49 -10.886 7.633 -2.144 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.572 6.527 -2.516 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.093 7.218 -0.983 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.273 5.476 -1.674 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.365 5.842 -0.706 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.173 7.857 -0.127 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.743 5.145 0.344 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.497 7.153 0.886 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.764 5.792 1.115 1.00 0.00 C ATOM 0 H TRP A 49 -9.745 7.661 -4.484 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.346 10.405 -4.201 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.237 9.703 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.938 8.959 -3.397 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.255 6.475 -3.351 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.675 4.542 -1.758 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.983 8.913 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.015 4.122 0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.765 7.664 1.494 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.222 5.250 1.876 1.00 0.00 H new ATOM 757 N ALA A 50 -7.672 9.468 -2.577 1.00 0.00 N ATOM 758 CA ALA A 50 -6.506 10.001 -1.890 1.00 0.00 C ATOM 759 C ALA A 50 -5.621 10.739 -2.893 1.00 0.00 C ATOM 760 O ALA A 50 -4.559 10.259 -3.286 1.00 0.00 O ATOM 761 CB ALA A 50 -5.750 8.903 -1.149 1.00 0.00 C ATOM 0 H ALA A 50 -7.567 8.497 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.829 10.713 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.884 9.333 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.407 8.443 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.418 8.147 -1.860 1.00 0.00 H new ATOM 767 N GLU A 51 -6.063 11.919 -3.325 1.00 0.00 N ATOM 768 CA GLU A 51 -5.312 12.773 -4.245 1.00 0.00 C ATOM 769 C GLU A 51 -4.042 13.363 -3.579 1.00 0.00 C ATOM 770 O GLU A 51 -3.250 14.043 -4.231 1.00 0.00 O ATOM 771 CB GLU A 51 -6.270 13.857 -4.776 1.00 0.00 C ATOM 772 CG GLU A 51 -5.807 14.573 -6.055 1.00 0.00 C ATOM 773 CD GLU A 51 -5.599 13.604 -7.234 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.599 13.184 -7.860 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.436 13.273 -7.556 1.00 0.00 O ATOM 0 H GLU A 51 -6.961 12.313 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.940 12.185 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.241 13.399 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.417 14.603 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.545 15.325 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.875 15.101 -5.854 1.00 0.00 H new ATOM 782 N TYR A 52 -3.809 13.086 -2.292 1.00 0.00 N ATOM 783 CA TYR A 52 -2.604 13.413 -1.536 1.00 0.00 C ATOM 784 C TYR A 52 -2.284 12.200 -0.656 1.00 0.00 C ATOM 785 O TYR A 52 -3.202 11.501 -0.211 1.00 0.00 O ATOM 786 CB TYR A 52 -2.757 14.719 -0.734 1.00 0.00 C ATOM 787 CG TYR A 52 -4.145 15.068 -0.231 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.085 15.598 -1.133 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.484 14.914 1.125 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.374 15.946 -0.696 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.769 15.270 1.577 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.723 15.782 0.665 1.00 0.00 C ATOM 793 OH TYR A 52 -7.974 16.127 1.083 1.00 0.00 O ATOM 0 H TYR A 52 -4.499 12.599 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.769 13.609 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.090 14.667 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.408 15.541 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.814 15.738 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.757 14.522 1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.096 16.338 -1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.027 15.153 2.619 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.057 15.954 2.044 1.00 0.00 H new ATOM 803 N HIS A 53 -1.002 11.905 -0.433 1.00 0.00 N ATOM 804 CA HIS A 53 -0.581 10.673 0.229 1.00 0.00 C ATOM 805 C HIS A 53 -0.935 10.728 1.708 1.00 0.00 C ATOM 806 O HIS A 53 -1.287 9.701 2.295 1.00 0.00 O ATOM 807 CB HIS A 53 0.927 10.457 0.066 1.00 0.00 C ATOM 808 CG HIS A 53 1.354 10.233 -1.361 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.863 11.193 -2.243 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.338 9.027 -1.988 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.163 10.532 -3.371 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.847 9.234 -3.244 1.00 0.00 N ATOM 0 H HIS A 53 -0.230 12.513 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.105 9.838 -0.237 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.455 11.325 0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.229 9.599 0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.992 8.090 -1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.596 10.980 -4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.966 8.520 -3.963 1.00 0.00 H new ATOM 820 N ALA A 54 -0.912 11.926 2.300 1.00 0.00 N ATOM 821 CA ALA A 54 -1.389 12.135 3.657 1.00 0.00 C ATOM 822 C ALA A 54 -2.830 11.644 3.859 1.00 0.00 C ATOM 823 O ALA A 54 -3.170 11.271 4.981 1.00 0.00 O ATOM 824 CB ALA A 54 -1.270 13.615 4.035 1.00 0.00 C ATOM 0 H ALA A 54 -0.562 12.771 1.848 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.757 11.539 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.630 13.760 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.227 13.924 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.869 14.215 3.349 1.00 0.00 H new ATOM 830 N ASP A 55 -3.677 11.625 2.818 1.00 0.00 N ATOM 831 CA ASP A 55 -5.077 11.233 2.977 1.00 0.00 C ATOM 832 C ASP A 55 -5.190 9.747 3.304 1.00 0.00 C ATOM 833 O ASP A 55 -5.838 9.375 4.284 1.00 0.00 O ATOM 834 CB ASP A 55 -5.898 11.524 1.718 1.00 0.00 C ATOM 835 CG ASP A 55 -7.397 11.472 2.050 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.897 12.387 2.743 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.080 10.526 1.608 1.00 0.00 O ATOM 0 H ASP A 55 -3.415 11.876 1.865 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.476 11.826 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.638 12.506 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.662 10.795 0.943 1.00 0.00 H new ATOM 842 N ILE A 56 -4.511 8.898 2.518 1.00 0.00 N ATOM 843 CA ILE A 56 -4.455 7.467 2.786 1.00 0.00 C ATOM 844 C ILE A 56 -3.691 7.219 4.076 1.00 0.00 C ATOM 845 O ILE A 56 -4.131 6.374 4.849 1.00 0.00 O ATOM 846 CB ILE A 56 -3.870 6.606 1.630 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.897 7.333 0.666 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.019 5.847 0.946 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.663 6.634 -0.680 1.00 0.00 C ATOM 0 H ILE A 56 -3.993 9.187 1.689 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.490 7.140 2.882 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.189 5.880 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.282 8.334 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.936 7.451 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.621 5.240 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.513 5.202 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.739 6.561 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.968 7.222 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.244 5.643 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.610 6.540 -1.211 1.00 0.00 H new ATOM 861 N TYR A 57 -2.589 7.928 4.342 1.00 0.00 N ATOM 862 CA TYR A 57 -1.842 7.664 5.561 1.00 0.00 C ATOM 863 C TYR A 57 -2.717 7.924 6.792 1.00 0.00 C ATOM 864 O TYR A 57 -2.782 7.070 7.673 1.00 0.00 O ATOM 865 CB TYR A 57 -0.527 8.451 5.602 1.00 0.00 C ATOM 866 CG TYR A 57 0.315 8.146 6.831 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.591 6.811 7.193 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.794 9.194 7.640 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.316 6.521 8.360 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.540 8.915 8.799 1.00 0.00 C ATOM 871 CZ TYR A 57 1.794 7.576 9.172 1.00 0.00 C ATOM 872 OH TYR A 57 2.477 7.318 10.324 1.00 0.00 O ATOM 0 H TYR A 57 -2.209 8.664 3.747 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.565 6.610 5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.053 8.225 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.749 9.518 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.241 6.004 6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.587 10.219 7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.508 5.495 8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.919 9.725 9.405 1.00 0.00 H new ATOM 0 HH TYR A 57 2.729 8.163 10.751 1.00 0.00 H new ATOM 882 N ASP A 58 -3.453 9.040 6.837 1.00 0.00 N ATOM 883 CA ASP A 58 -4.337 9.346 7.960 1.00 0.00 C ATOM 884 C ASP A 58 -5.466 8.319 8.085 1.00 0.00 C ATOM 885 O ASP A 58 -5.684 7.774 9.168 1.00 0.00 O ATOM 886 CB ASP A 58 -4.925 10.752 7.817 1.00 0.00 C ATOM 887 CG ASP A 58 -5.896 11.046 8.973 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.431 11.306 10.105 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.127 11.040 8.752 1.00 0.00 O ATOM 0 H ASP A 58 -3.451 9.748 6.103 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.736 9.301 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.123 11.490 7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.447 10.840 6.864 1.00 0.00 H new ATOM 894 N LYS A 59 -6.159 8.017 6.980 1.00 0.00 N ATOM 895 CA LYS A 59 -7.269 7.063 6.960 1.00 0.00 C ATOM 896 C LYS A 59 -6.811 5.682 7.414 1.00 0.00 C ATOM 897 O LYS A 59 -7.454 5.070 8.268 1.00 0.00 O ATOM 898 CB LYS A 59 -7.867 7.047 5.543 1.00 0.00 C ATOM 899 CG LYS A 59 -8.928 5.954 5.313 1.00 0.00 C ATOM 900 CD LYS A 59 -10.037 6.480 4.392 1.00 0.00 C ATOM 901 CE LYS A 59 -11.001 5.385 3.910 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.855 4.836 4.995 1.00 0.00 N ATOM 0 H LYS A 59 -5.962 8.432 6.069 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.043 7.369 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.315 8.020 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.060 6.911 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.464 5.073 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.354 5.643 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.604 7.246 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.582 6.960 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.639 5.792 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.425 4.574 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.482 4.103 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.253 4.420 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.429 5.600 5.405 1.00 0.00 H new ATOM 916 N VAL A 60 -5.713 5.185 6.856 1.00 0.00 N ATOM 917 CA VAL A 60 -5.276 3.823 7.090 1.00 0.00 C ATOM 918 C VAL A 60 -4.668 3.723 8.484 1.00 0.00 C ATOM 919 O VAL A 60 -5.014 2.783 9.190 1.00 0.00 O ATOM 920 CB VAL A 60 -4.329 3.362 5.969 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.806 1.941 6.248 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.060 3.386 4.612 1.00 0.00 C ATOM 0 H VAL A 60 -5.106 5.716 6.232 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.125 3.139 7.061 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.482 4.048 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.138 1.635 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.263 1.932 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.646 1.249 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.380 3.058 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.920 2.717 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.398 4.400 4.399 1.00 0.00 H new ATOM 932 N SER A 61 -3.844 4.675 8.937 1.00 0.00 N ATOM 933 CA SER A 61 -3.375 4.661 10.318 1.00 0.00 C ATOM 934 C SER A 61 -4.556 4.721 11.286 1.00 0.00 C ATOM 935 O SER A 61 -4.521 4.029 12.299 1.00 0.00 O ATOM 936 CB SER A 61 -2.387 5.799 10.567 1.00 0.00 C ATOM 937 OG SER A 61 -1.210 5.544 9.828 1.00 0.00 O ATOM 0 H SER A 61 -3.495 5.451 8.374 1.00 0.00 H new ATOM 0 HA SER A 61 -2.847 3.724 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.823 6.751 10.266 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.157 5.875 11.630 1.00 0.00 H new ATOM 0 HG SER A 61 -0.756 6.390 9.633 1.00 0.00 H new ATOM 943 N GLY A 62 -5.619 5.464 10.956 1.00 0.00 N ATOM 944 CA GLY A 62 -6.856 5.466 11.718 1.00 0.00 C ATOM 945 C GLY A 62 -7.452 4.064 11.805 1.00 0.00 C ATOM 946 O GLY A 62 -7.693 3.579 12.906 1.00 0.00 O ATOM 0 H GLY A 62 -5.637 6.083 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.667 5.847 12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.573 6.141 11.251 1.00 0.00 H new ATOM 950 N ASP A 63 -7.667 3.386 10.673 1.00 0.00 N ATOM 951 CA ASP A 63 -8.250 2.042 10.663 1.00 0.00 C ATOM 952 C ASP A 63 -7.374 1.042 11.412 1.00 0.00 C ATOM 953 O ASP A 63 -7.870 0.302 12.260 1.00 0.00 O ATOM 954 CB ASP A 63 -8.495 1.541 9.240 1.00 0.00 C ATOM 955 CG ASP A 63 -9.189 0.169 9.284 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.441 0.133 9.296 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.495 -0.870 9.301 1.00 0.00 O ATOM 0 H ASP A 63 -7.444 3.750 9.746 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.209 2.120 11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.113 2.254 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.549 1.464 8.704 1.00 0.00 H new ATOM 962 N MET A 64 -6.066 1.062 11.153 1.00 0.00 N ATOM 963 CA MET A 64 -5.103 0.196 11.815 1.00 0.00 C ATOM 964 C MET A 64 -5.170 0.407 13.321 1.00 0.00 C ATOM 965 O MET A 64 -5.365 -0.558 14.054 1.00 0.00 O ATOM 966 CB MET A 64 -3.693 0.467 11.277 1.00 0.00 C ATOM 967 CG MET A 64 -3.542 0.067 9.802 1.00 0.00 C ATOM 968 SD MET A 64 -3.505 -1.717 9.500 1.00 0.00 S ATOM 969 CE MET A 64 -5.197 -1.903 8.886 1.00 0.00 C ATOM 0 H MET A 64 -5.645 1.690 10.468 1.00 0.00 H new ATOM 0 HA MET A 64 -5.347 -0.845 11.605 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.462 1.526 11.389 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.967 -0.083 11.876 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.367 0.500 9.236 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.623 0.506 9.413 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.535 -2.925 9.055 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.854 -1.212 9.414 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.223 -1.684 7.818 1.00 0.00 H new ATOM 979 N GLN A 65 -5.095 1.648 13.797 1.00 0.00 N ATOM 980 CA GLN A 65 -5.139 1.956 15.215 1.00 0.00 C ATOM 981 C GLN A 65 -6.516 1.657 15.825 1.00 0.00 C ATOM 982 O GLN A 65 -6.582 1.334 17.010 1.00 0.00 O ATOM 983 CB GLN A 65 -4.754 3.430 15.411 1.00 0.00 C ATOM 984 CG GLN A 65 -3.250 3.708 15.207 1.00 0.00 C ATOM 985 CD GLN A 65 -2.470 3.538 16.512 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.299 4.483 17.280 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.001 2.340 16.813 1.00 0.00 N ATOM 0 H GLN A 65 -5.001 2.470 13.201 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.427 1.317 15.737 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.326 4.042 14.714 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.039 3.741 16.416 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.852 3.030 14.452 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.114 4.721 14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.146 1.560 16.172 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.494 2.195 17.686 1.00 0.00 H new ATOM 996 N LYS A 66 -7.606 1.706 15.049 1.00 0.00 N ATOM 997 CA LYS A 66 -8.918 1.243 15.505 1.00 0.00 C ATOM 998 C LYS A 66 -8.916 -0.276 15.696 1.00 0.00 C ATOM 999 O LYS A 66 -9.504 -0.742 16.672 1.00 0.00 O ATOM 1000 CB LYS A 66 -10.031 1.722 14.555 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.382 3.199 14.817 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.472 3.758 13.887 1.00 0.00 C ATOM 1003 CE LYS A 66 -11.003 3.926 12.431 1.00 0.00 C ATOM 1004 NZ LYS A 66 -12.064 4.511 11.572 1.00 0.00 N ATOM 0 H LYS A 66 -7.602 2.065 14.094 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.129 1.685 16.479 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.709 1.599 13.521 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.919 1.104 14.688 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.711 3.306 15.851 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.480 3.801 14.706 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.335 3.092 13.909 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.805 4.724 14.268 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.121 4.566 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.705 2.957 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.709 4.608 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.897 3.888 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.330 5.447 11.938 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.245 -1.056 14.834 1.00 0.00 N ATOM 1019 CA GLN A 67 -8.028 -2.481 15.112 1.00 0.00 C ATOM 1020 C GLN A 67 -7.067 -2.639 16.308 1.00 0.00 C ATOM 1021 O GLN A 67 -7.161 -3.601 17.070 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.487 -3.216 13.869 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.445 -3.162 12.663 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.934 -3.986 11.476 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.585 -5.155 11.612 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.886 -3.428 10.277 1.00 0.00 N ATOM 0 H GLN A 67 -7.850 -0.729 13.952 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.986 -2.935 15.367 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.531 -2.778 13.584 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.296 -4.258 14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.425 -3.532 12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.577 -2.125 12.353 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.174 -2.457 10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.561 -3.969 9.475 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.145 -1.686 16.472 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.153 -1.562 17.535 1.00 0.00 C ATOM 1037 C GLY A 68 -3.742 -1.407 16.951 1.00 0.00 C ATOM 1038 O GLY A 68 -2.874 -0.805 17.581 1.00 0.00 O ATOM 0 H GLY A 68 -6.070 -0.918 15.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.389 -0.701 18.160 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.191 -2.442 18.178 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.535 -1.928 15.736 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.272 -2.014 15.019 1.00 0.00 C ATOM 1044 C CYS A 69 -1.542 -0.675 14.995 1.00 0.00 C ATOM 1045 O CYS A 69 -2.161 0.375 14.815 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.553 -2.470 13.585 1.00 0.00 C ATOM 1047 SG CYS A 69 -3.135 -4.187 13.578 1.00 0.00 S ATOM 0 H CYS A 69 -4.304 -2.326 15.196 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.631 -2.729 15.534 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.302 -1.822 13.130 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.648 -2.382 12.984 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.937 -4.369 12.571 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.219 -0.728 15.118 1.00 0.00 N ATOM 1054 CA ASP A 70 0.659 0.438 15.083 1.00 0.00 C ATOM 1055 C ASP A 70 1.344 0.438 13.722 1.00 0.00 C ATOM 1056 O ASP A 70 1.748 -0.631 13.256 1.00 0.00 O ATOM 1057 CB ASP A 70 1.672 0.340 16.223 1.00 0.00 C ATOM 1058 CG ASP A 70 2.711 1.469 16.129 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.317 2.656 16.165 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.922 1.174 16.038 1.00 0.00 O ATOM 0 H ASP A 70 0.285 -1.605 15.248 1.00 0.00 H new ATOM 0 HA ASP A 70 0.108 1.369 15.216 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.155 0.395 17.181 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.174 -0.627 16.187 1.00 0.00 H new ATOM 1065 N CYS A 71 1.472 1.609 13.088 1.00 0.00 N ATOM 1066 CA CYS A 71 1.879 1.714 11.692 1.00 0.00 C ATOM 1067 C CYS A 71 2.801 2.894 11.392 1.00 0.00 C ATOM 1068 O CYS A 71 2.802 3.891 12.118 1.00 0.00 O ATOM 1069 CB CYS A 71 0.603 1.884 10.857 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.268 0.306 10.758 1.00 0.00 S ATOM 0 H CYS A 71 1.295 2.509 13.534 1.00 0.00 H new ATOM 0 HA CYS A 71 2.442 0.813 11.451 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.041 2.639 11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.855 2.236 9.856 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.372 -0.055 9.513 1.00 0.00 H new ATOM 1076 N GLU A 72 3.514 2.806 10.262 1.00 0.00 N ATOM 1077 CA GLU A 72 4.335 3.872 9.694 1.00 0.00 C ATOM 1078 C GLU A 72 4.276 3.753 8.170 1.00 0.00 C ATOM 1079 O GLU A 72 4.403 2.644 7.648 1.00 0.00 O ATOM 1080 CB GLU A 72 5.806 3.717 10.126 1.00 0.00 C ATOM 1081 CG GLU A 72 6.040 3.840 11.636 1.00 0.00 C ATOM 1082 CD GLU A 72 7.536 3.775 11.975 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.123 2.672 11.915 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.136 4.822 12.314 1.00 0.00 O ATOM 0 H GLU A 72 3.533 1.955 9.700 1.00 0.00 H new ATOM 0 HA GLU A 72 3.960 4.835 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.169 2.745 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.403 4.473 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.624 4.781 11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.512 3.040 12.155 1.00 0.00 H new ATOM 1091 N CYS A 73 4.087 4.854 7.437 1.00 0.00 N ATOM 1092 CA CYS A 73 4.258 4.835 5.989 1.00 0.00 C ATOM 1093 C CYS A 73 5.771 4.774 5.740 1.00 0.00 C ATOM 1094 O CYS A 73 6.515 5.660 6.169 1.00 0.00 O ATOM 1095 CB CYS A 73 3.577 6.041 5.310 1.00 0.00 C ATOM 1096 SG CYS A 73 3.942 7.596 6.176 1.00 0.00 S ATOM 0 H CYS A 73 3.818 5.760 7.822 1.00 0.00 H new ATOM 0 HA CYS A 73 3.769 3.970 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.913 6.113 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.499 5.883 5.285 1.00 0.00 H new ATOM 0 HG CYS A 73 4.183 8.531 5.306 1.00 0.00 H new ATOM 1102 N LEU A 74 6.244 3.718 5.075 1.00 0.00 N ATOM 1103 CA LEU A 74 7.638 3.628 4.647 1.00 0.00 C ATOM 1104 C LEU A 74 7.897 4.604 3.493 1.00 0.00 C ATOM 1105 O LEU A 74 9.039 5.008 3.272 1.00 0.00 O ATOM 1106 CB LEU A 74 7.994 2.185 4.250 1.00 0.00 C ATOM 1107 CG LEU A 74 7.824 1.140 5.374 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.437 -0.196 4.935 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.465 1.568 6.704 1.00 0.00 C ATOM 0 H LEU A 74 5.677 2.909 4.821 1.00 0.00 H new ATOM 0 HA LEU A 74 8.282 3.907 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.371 1.892 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.028 2.163 3.907 1.00 0.00 H new ATOM 0 HG LEU A 74 6.752 1.042 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.315 -0.931 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.934 -0.549 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.498 -0.059 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.309 0.789 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.534 1.723 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.007 2.496 7.047 1.00 0.00 H new ATOM 1121 N GLY A 75 6.841 5.004 2.781 1.00 0.00 N ATOM 1122 CA GLY A 75 6.837 6.058 1.784 1.00 0.00 C ATOM 1123 C GLY A 75 5.544 5.959 0.985 1.00 0.00 C ATOM 1124 O GLY A 75 4.609 5.251 1.384 1.00 0.00 O ATOM 0 H GLY A 75 5.923 4.575 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.913 7.034 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.699 5.959 1.124 1.00 0.00 H new ATOM 1128 N GLY A 76 5.508 6.615 -0.169 1.00 0.00 N ATOM 1129 CA GLY A 76 4.436 6.450 -1.133 1.00 0.00 C ATOM 1130 C GLY A 76 4.944 6.666 -2.546 1.00 0.00 C ATOM 1131 O GLY A 76 6.141 6.860 -2.769 1.00 0.00 O ATOM 0 H GLY A 76 6.226 7.278 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.011 5.450 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.635 7.157 -0.918 1.00 0.00 H new ATOM 1135 N GLY A 77 4.014 6.626 -3.490 1.00 0.00 N ATOM 1136 CA GLY A 77 4.246 6.795 -4.913 1.00 0.00 C ATOM 1137 C GLY A 77 2.890 6.820 -5.600 1.00 0.00 C ATOM 1138 O GLY A 77 1.865 7.039 -4.947 1.00 0.00 O ATOM 0 H GLY A 77 3.031 6.467 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.790 7.720 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.857 5.980 -5.301 1.00 0.00 H new ATOM 1142 N ARG A 78 2.835 6.591 -6.904 1.00 0.00 N ATOM 1143 CA ARG A 78 1.572 6.449 -7.607 1.00 0.00 C ATOM 1144 C ARG A 78 1.661 5.245 -8.523 1.00 0.00 C ATOM 1145 O ARG A 78 2.752 4.832 -8.925 1.00 0.00 O ATOM 1146 CB ARG A 78 1.180 7.773 -8.291 1.00 0.00 C ATOM 1147 CG ARG A 78 2.060 8.162 -9.482 1.00 0.00 C ATOM 1148 CD ARG A 78 1.678 9.561 -9.983 1.00 0.00 C ATOM 1149 NE ARG A 78 2.412 9.923 -11.208 1.00 0.00 N ATOM 1150 CZ ARG A 78 2.008 10.762 -12.170 1.00 0.00 C ATOM 1151 NH1 ARG A 78 0.829 11.376 -12.104 1.00 0.00 N ATOM 1152 NH2 ARG A 78 2.820 10.982 -13.196 1.00 0.00 N ATOM 0 H ARG A 78 3.658 6.499 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 78 0.750 6.251 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.146 7.700 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.218 8.573 -7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.110 8.146 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.942 7.434 -10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.606 9.597 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.886 10.295 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 78 3.326 9.488 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.212 11.211 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.542 12.011 -12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.727 10.517 -13.238 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.538 11.617 -13.943 1.00 0.00 H new ATOM 1166 N ILE A 79 0.501 4.678 -8.807 1.00 0.00 N ATOM 1167 CA ILE A 79 0.318 3.487 -9.605 1.00 0.00 C ATOM 1168 C ILE A 79 -0.406 3.974 -10.853 1.00 0.00 C ATOM 1169 O ILE A 79 -1.297 4.824 -10.756 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.495 2.425 -8.819 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.207 2.056 -7.489 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.744 1.163 -9.673 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.548 1.050 -6.610 1.00 0.00 C ATOM 0 H ILE A 79 -0.382 5.059 -8.467 1.00 0.00 H new ATOM 0 HA ILE A 79 1.255 2.994 -9.862 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.463 2.865 -8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.192 1.648 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.366 2.969 -6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.316 0.438 -9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.303 1.434 -10.568 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.211 0.724 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.025 0.857 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.522 1.459 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.684 0.118 -7.158 1.00 0.00 H new ATOM 1333 N HIS A 89 2.100 -0.004 -13.667 1.00 0.00 N ATOM 1334 CA HIS A 89 3.377 0.570 -13.254 1.00 0.00 C ATOM 1335 C HIS A 89 3.249 1.233 -11.890 1.00 0.00 C ATOM 1336 O HIS A 89 2.152 1.640 -11.511 1.00 0.00 O ATOM 1337 CB HIS A 89 3.864 1.562 -14.318 1.00 0.00 C ATOM 1338 CG HIS A 89 5.351 1.799 -14.254 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.320 0.900 -14.635 1.00 0.00 N ATOM 1340 CD2 HIS A 89 5.992 2.932 -13.831 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.517 1.485 -14.470 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.372 2.725 -13.969 1.00 0.00 N ATOM 0 HA HIS A 89 4.117 -0.225 -13.161 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.602 1.186 -15.307 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.343 2.511 -14.190 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.518 3.828 -13.457 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.465 1.024 -14.707 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.116 3.382 -13.736 1.00 0.00 H new ATOM 1350 N VAL A 90 4.364 1.373 -11.177 1.00 0.00 N ATOM 1351 CA VAL A 90 4.450 1.979 -9.855 1.00 0.00 C ATOM 1352 C VAL A 90 5.711 2.846 -9.870 1.00 0.00 C ATOM 1353 O VAL A 90 6.763 2.375 -10.296 1.00 0.00 O ATOM 1354 CB VAL A 90 4.541 0.875 -8.777 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.443 1.483 -7.371 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.455 -0.208 -8.906 1.00 0.00 C ATOM 0 H VAL A 90 5.269 1.053 -11.521 1.00 0.00 H new ATOM 0 HA VAL A 90 3.571 2.580 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 90 5.509 0.400 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.509 0.690 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.260 2.189 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.490 2.002 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.583 -0.948 -8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.471 0.251 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.541 -0.696 -9.877 1.00 0.00 H new ATOM 1366 N TYR A 91 5.630 4.106 -9.445 1.00 0.00 N ATOM 1367 CA TYR A 91 6.751 5.051 -9.476 1.00 0.00 C ATOM 1368 C TYR A 91 6.401 6.308 -8.672 1.00 0.00 C ATOM 1369 O TYR A 91 5.411 6.310 -7.940 1.00 0.00 O ATOM 1370 CB TYR A 91 7.154 5.381 -10.931 1.00 0.00 C ATOM 1371 CG TYR A 91 6.169 6.095 -11.851 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.825 6.347 -11.500 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.630 6.481 -13.124 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.955 6.955 -12.417 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.767 7.102 -14.044 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.417 7.336 -13.697 1.00 0.00 C ATOM 1377 OH TYR A 91 3.561 7.936 -14.571 1.00 0.00 O ATOM 0 H TYR A 91 4.773 4.507 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 91 7.619 4.589 -9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.057 5.990 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.426 4.442 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.465 6.070 -10.520 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.659 6.298 -13.397 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.926 7.133 -12.143 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.135 7.400 -15.015 1.00 0.00 H new ATOM 0 HH TYR A 91 4.033 8.136 -15.406 1.00 0.00 H new ATOM 1387 N GLY A 92 7.164 7.393 -8.825 1.00 0.00 N ATOM 1388 CA GLY A 92 6.902 8.641 -8.121 1.00 0.00 C ATOM 1389 C GLY A 92 7.240 8.554 -6.638 1.00 0.00 C ATOM 1390 O GLY A 92 7.979 7.666 -6.201 1.00 0.00 O ATOM 0 H GLY A 92 7.977 7.427 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.485 9.441 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.851 8.906 -8.236 1.00 0.00 H new ATOM 1394 N TYR A 93 6.753 9.537 -5.882 1.00 0.00 N ATOM 1395 CA TYR A 93 7.068 9.712 -4.470 1.00 0.00 C ATOM 1396 C TYR A 93 6.087 10.678 -3.805 1.00 0.00 C ATOM 1397 O TYR A 93 5.462 11.503 -4.478 1.00 0.00 O ATOM 1398 CB TYR A 93 8.502 10.258 -4.311 1.00 0.00 C ATOM 1399 CG TYR A 93 8.894 11.435 -5.191 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.554 12.751 -4.821 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.640 11.214 -6.366 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.940 13.838 -5.626 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.039 12.295 -7.172 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.685 13.616 -6.806 1.00 0.00 C ATOM 1405 OH TYR A 93 10.058 14.677 -7.576 1.00 0.00 O ATOM 0 H TYR A 93 6.116 10.247 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 93 6.987 8.739 -3.986 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.639 10.553 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.199 9.443 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.994 12.926 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.907 10.207 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.667 14.843 -5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 93 10.614 12.118 -8.069 1.00 0.00 H new ATOM 0 HH TYR A 93 10.565 14.357 -8.351 1.00 0.00 H new ATOM 1415 N SER A 94 5.958 10.567 -2.484 1.00 0.00 N ATOM 1416 CA SER A 94 5.274 11.554 -1.656 1.00 0.00 C ATOM 1417 C SER A 94 6.291 12.675 -1.398 1.00 0.00 C ATOM 1418 O SER A 94 7.500 12.432 -1.488 1.00 0.00 O ATOM 1419 CB SER A 94 4.822 10.866 -0.360 1.00 0.00 C ATOM 1420 OG SER A 94 4.587 11.765 0.700 1.00 0.00 O ATOM 0 H SER A 94 6.331 9.779 -1.954 1.00 0.00 H new ATOM 0 HA SER A 94 4.385 11.973 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.910 10.301 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.583 10.147 -0.055 1.00 0.00 H new ATOM 0 HG SER A 94 3.625 11.932 0.780 1.00 0.00 H new ATOM 1426 N MET A 95 5.846 13.880 -1.025 1.00 0.00 N ATOM 1427 CA MET A 95 6.769 14.913 -0.559 1.00 0.00 C ATOM 1428 C MET A 95 6.844 14.912 0.968 1.00 0.00 C ATOM 1429 O MET A 95 7.924 15.160 1.509 1.00 0.00 O ATOM 1430 CB MET A 95 6.421 16.297 -1.123 1.00 0.00 C ATOM 1431 CG MET A 95 5.070 16.845 -0.655 1.00 0.00 C ATOM 1432 SD MET A 95 4.705 18.535 -1.223 1.00 0.00 S ATOM 1433 CE MET A 95 5.859 19.496 -0.201 1.00 0.00 C ATOM 0 H MET A 95 4.865 14.159 -1.037 1.00 0.00 H new ATOM 0 HA MET A 95 7.761 14.675 -0.942 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.204 17.000 -0.838 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.421 16.244 -2.212 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.281 16.179 -1.005 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.042 16.827 0.435 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.658 20.560 -0.328 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.730 19.225 0.847 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.883 19.281 -0.508 1.00 0.00 H new ATOM 1443 N ALA A 96 5.749 14.602 1.676 1.00 0.00 N ATOM 1444 CA ALA A 96 5.785 14.523 3.133 1.00 0.00 C ATOM 1445 C ALA A 96 6.484 13.246 3.624 1.00 0.00 C ATOM 1446 O ALA A 96 7.037 13.252 4.727 1.00 0.00 O ATOM 1447 CB ALA A 96 4.366 14.609 3.697 1.00 0.00 C ATOM 0 H ALA A 96 4.838 14.404 1.263 1.00 0.00 H new ATOM 0 HA ALA A 96 6.369 15.369 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.403 14.549 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.913 15.555 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.769 13.784 3.308 1.00 0.00 H new ATOM 1453 N TYR A 97 6.498 12.178 2.817 1.00 0.00 N ATOM 1454 CA TYR A 97 6.927 10.842 3.235 1.00 0.00 C ATOM 1455 C TYR A 97 7.917 10.182 2.261 1.00 0.00 C ATOM 1456 O TYR A 97 8.460 9.123 2.582 1.00 0.00 O ATOM 1457 CB TYR A 97 5.680 9.964 3.447 1.00 0.00 C ATOM 1458 CG TYR A 97 4.587 10.610 4.288 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.769 10.777 5.674 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.408 11.087 3.682 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.775 11.397 6.453 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.401 11.686 4.454 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.585 11.858 5.846 1.00 0.00 C ATOM 1464 OH TYR A 97 1.645 12.490 6.604 1.00 0.00 O ATOM 0 H TYR A 97 6.207 12.221 1.840 1.00 0.00 H new ATOM 0 HA TYR A 97 7.477 10.946 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.265 9.703 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.984 9.032 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.677 10.427 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.278 10.991 2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.922 11.521 7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.485 12.016 3.985 1.00 0.00 H new ATOM 0 HH TYR A 97 0.887 12.746 6.038 1.00 0.00 H new ATOM 1474 N GLY A 98 8.207 10.802 1.110 1.00 0.00 N ATOM 1475 CA GLY A 98 9.240 10.340 0.185 1.00 0.00 C ATOM 1476 C GLY A 98 8.823 9.110 -0.634 1.00 0.00 C ATOM 1477 O GLY A 98 7.676 8.655 -0.539 1.00 0.00 O ATOM 0 H GLY A 98 7.725 11.644 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.495 11.151 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.142 10.102 0.749 1.00 0.00 H new ATOM 1481 N PRO A 99 9.727 8.579 -1.477 1.00 0.00 N ATOM 1482 CA PRO A 99 9.501 7.342 -2.212 1.00 0.00 C ATOM 1483 C PRO A 99 9.496 6.147 -1.255 1.00 0.00 C ATOM 1484 O PRO A 99 10.334 6.056 -0.352 1.00 0.00 O ATOM 1485 CB PRO A 99 10.661 7.220 -3.209 1.00 0.00 C ATOM 1486 CG PRO A 99 11.783 8.038 -2.570 1.00 0.00 C ATOM 1487 CD PRO A 99 11.051 9.115 -1.769 1.00 0.00 C ATOM 0 HA PRO A 99 8.537 7.353 -2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.956 6.181 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.389 7.612 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.410 7.420 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.435 8.477 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.588 9.348 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.978 10.041 -2.339 1.00 0.00 H new ATOM 1495 N ALA A 100 8.566 5.217 -1.465 1.00 0.00 N ATOM 1496 CA ALA A 100 8.580 3.926 -0.790 1.00 0.00 C ATOM 1497 C ALA A 100 9.604 2.998 -1.457 1.00 0.00 C ATOM 1498 O ALA A 100 10.130 3.299 -2.533 1.00 0.00 O ATOM 1499 CB ALA A 100 7.201 3.285 -0.929 1.00 0.00 C ATOM 0 H ALA A 100 7.783 5.340 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 100 8.840 4.073 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.197 2.317 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.451 3.932 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.968 3.148 -1.985 1.00 0.00 H new ATOM 1505 N GLN A 101 9.851 1.837 -0.843 1.00 0.00 N ATOM 1506 CA GLN A 101 10.601 0.761 -1.477 1.00 0.00 C ATOM 1507 C GLN A 101 9.630 0.090 -2.446 1.00 0.00 C ATOM 1508 O GLN A 101 8.990 -0.904 -2.101 1.00 0.00 O ATOM 1509 CB GLN A 101 11.145 -0.251 -0.453 1.00 0.00 C ATOM 1510 CG GLN A 101 12.304 0.287 0.391 1.00 0.00 C ATOM 1511 CD GLN A 101 13.503 0.730 -0.452 1.00 0.00 C ATOM 1512 OE1 GLN A 101 14.080 -0.051 -1.205 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.899 1.990 -0.366 1.00 0.00 N ATOM 0 H GLN A 101 9.536 1.622 0.103 1.00 0.00 H new ATOM 0 HA GLN A 101 11.478 1.155 -1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.335 -0.554 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.476 -1.145 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.953 1.131 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.625 -0.484 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.417 2.635 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.686 2.317 -0.926 1.00 0.00 H new ATOM 1522 N HIS A 102 9.497 0.647 -3.651 1.00 0.00 N ATOM 1523 CA HIS A 102 8.554 0.183 -4.666 1.00 0.00 C ATOM 1524 C HIS A 102 8.733 -1.285 -5.065 1.00 0.00 C ATOM 1525 O HIS A 102 7.820 -1.867 -5.646 1.00 0.00 O ATOM 1526 CB HIS A 102 8.583 1.137 -5.868 1.00 0.00 C ATOM 1527 CG HIS A 102 7.947 2.453 -5.504 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.541 3.691 -5.400 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.674 2.587 -5.029 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.644 4.541 -4.874 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.488 3.908 -4.616 1.00 0.00 N ATOM 0 H HIS A 102 10.052 1.448 -3.953 1.00 0.00 H new ATOM 0 HA HIS A 102 7.559 0.208 -4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.612 1.299 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.054 0.690 -6.709 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.496 3.922 -5.675 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.934 1.802 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.827 5.588 -4.685 1.00 0.00 H new ATOM 1539 N ALA A 103 9.862 -1.893 -4.689 1.00 0.00 N ATOM 1540 CA ALA A 103 10.113 -3.320 -4.794 1.00 0.00 C ATOM 1541 C ALA A 103 9.057 -4.117 -4.018 1.00 0.00 C ATOM 1542 O ALA A 103 8.538 -5.113 -4.521 1.00 0.00 O ATOM 1543 CB ALA A 103 11.514 -3.600 -4.230 1.00 0.00 C ATOM 0 H ALA A 103 10.649 -1.381 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 103 10.057 -3.630 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.727 -4.667 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.255 -3.045 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.555 -3.287 -3.187 1.00 0.00 H new ATOM 1549 N ILE A 104 8.729 -3.681 -2.796 1.00 0.00 N ATOM 1550 CA ILE A 104 7.728 -4.330 -1.961 1.00 0.00 C ATOM 1551 C ILE A 104 6.375 -4.192 -2.666 1.00 0.00 C ATOM 1552 O ILE A 104 5.649 -5.178 -2.802 1.00 0.00 O ATOM 1553 CB ILE A 104 7.716 -3.706 -0.542 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.119 -3.729 0.113 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.700 -4.444 0.352 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.180 -2.996 1.458 1.00 0.00 C ATOM 0 H ILE A 104 9.157 -2.863 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 104 7.957 -5.387 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 104 7.419 -2.662 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.426 -4.765 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.838 -3.277 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.699 -3.998 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.704 -4.361 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.977 -5.496 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.192 -3.053 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.905 -1.951 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.487 -3.462 2.158 1.00 0.00 H new ATOM 1568 N SER A 105 6.048 -2.985 -3.135 1.00 0.00 N ATOM 1569 CA SER A 105 4.769 -2.668 -3.737 1.00 0.00 C ATOM 1570 C SER A 105 4.516 -3.559 -4.952 1.00 0.00 C ATOM 1571 O SER A 105 3.473 -4.212 -5.017 1.00 0.00 O ATOM 1572 CB SER A 105 4.731 -1.175 -4.105 1.00 0.00 C ATOM 1573 OG SER A 105 5.509 -0.421 -3.189 1.00 0.00 O ATOM 0 H SER A 105 6.686 -2.190 -3.102 1.00 0.00 H new ATOM 0 HA SER A 105 3.969 -2.863 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.110 -1.033 -5.117 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.701 -0.818 -4.098 1.00 0.00 H new ATOM 0 HG SER A 105 5.147 0.487 -3.123 1.00 0.00 H new ATOM 1579 N THR A 106 5.465 -3.641 -5.889 1.00 0.00 N ATOM 1580 CA THR A 106 5.276 -4.447 -7.081 1.00 0.00 C ATOM 1581 C THR A 106 5.194 -5.922 -6.714 1.00 0.00 C ATOM 1582 O THR A 106 4.268 -6.577 -7.178 1.00 0.00 O ATOM 1583 CB THR A 106 6.367 -4.172 -8.123 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.653 -4.248 -7.542 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.171 -2.786 -8.739 1.00 0.00 C ATOM 0 H THR A 106 6.363 -3.160 -5.839 1.00 0.00 H new ATOM 0 HA THR A 106 4.329 -4.165 -7.541 1.00 0.00 H new ATOM 0 HB THR A 106 6.287 -4.932 -8.900 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.268 -3.661 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.952 -2.602 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.195 -2.737 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.226 -2.029 -7.957 1.00 0.00 H new ATOM 1593 N GLU A 107 6.079 -6.455 -5.864 1.00 0.00 N ATOM 1594 CA GLU A 107 6.042 -7.871 -5.512 1.00 0.00 C ATOM 1595 C GLU A 107 4.694 -8.245 -4.889 1.00 0.00 C ATOM 1596 O GLU A 107 4.116 -9.270 -5.257 1.00 0.00 O ATOM 1597 CB GLU A 107 7.207 -8.243 -4.581 1.00 0.00 C ATOM 1598 CG GLU A 107 8.528 -8.383 -5.354 1.00 0.00 C ATOM 1599 CD GLU A 107 9.683 -8.831 -4.438 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.727 -10.020 -4.045 1.00 0.00 O ATOM 1601 OE2 GLU A 107 10.584 -8.019 -4.128 1.00 0.00 O ATOM 0 H GLU A 107 6.825 -5.927 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 107 6.157 -8.447 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.315 -7.480 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.982 -9.180 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.402 -9.106 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.781 -7.429 -5.817 1.00 0.00 H new ATOM 1608 N LYS A 108 4.148 -7.406 -4.000 1.00 0.00 N ATOM 1609 CA LYS A 108 2.847 -7.667 -3.394 1.00 0.00 C ATOM 1610 C LYS A 108 1.733 -7.623 -4.435 1.00 0.00 C ATOM 1611 O LYS A 108 0.900 -8.533 -4.452 1.00 0.00 O ATOM 1612 CB LYS A 108 2.575 -6.676 -2.253 1.00 0.00 C ATOM 1613 CG LYS A 108 3.402 -7.016 -1.005 1.00 0.00 C ATOM 1614 CD LYS A 108 3.052 -6.070 0.152 1.00 0.00 C ATOM 1615 CE LYS A 108 3.766 -6.450 1.456 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.326 -7.769 1.969 1.00 0.00 N ATOM 0 H LYS A 108 4.591 -6.542 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 108 2.865 -8.673 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.812 -5.665 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.514 -6.689 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.213 -8.048 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.465 -6.940 -1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.321 -5.050 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.974 -6.082 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.843 -6.468 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.574 -5.686 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.701 -7.911 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.287 -7.802 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.681 -8.521 1.344 1.00 0.00 H new ATOM 1630 N ILE A 109 1.700 -6.612 -5.313 1.00 0.00 N ATOM 1631 CA ILE A 109 0.632 -6.514 -6.303 1.00 0.00 C ATOM 1632 C ILE A 109 0.755 -7.714 -7.249 1.00 0.00 C ATOM 1633 O ILE A 109 -0.245 -8.369 -7.512 1.00 0.00 O ATOM 1634 CB ILE A 109 0.652 -5.148 -7.032 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.452 -3.962 -6.053 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.473 -5.077 -8.086 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.932 -2.622 -6.628 1.00 0.00 C ATOM 0 H ILE A 109 2.392 -5.863 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.344 -6.552 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 109 1.632 -5.068 -7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.605 -3.884 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.990 -4.167 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.442 -4.109 -8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.334 -5.870 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.439 -5.201 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.765 -1.831 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.996 -2.685 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.376 -2.397 -7.538 1.00 0.00 H new ATOM 1649 N LYS A 110 1.959 -8.065 -7.710 1.00 0.00 N ATOM 1650 CA LYS A 110 2.187 -9.176 -8.637 1.00 0.00 C ATOM 1651 C LYS A 110 1.772 -10.501 -8.011 1.00 0.00 C ATOM 1652 O LYS A 110 1.184 -11.327 -8.703 1.00 0.00 O ATOM 1653 CB LYS A 110 3.667 -9.219 -9.064 1.00 0.00 C ATOM 1654 CG LYS A 110 4.012 -8.005 -9.939 1.00 0.00 C ATOM 1655 CD LYS A 110 5.516 -7.739 -10.097 1.00 0.00 C ATOM 1656 CE LYS A 110 6.157 -8.673 -11.133 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.232 -8.001 -11.906 1.00 0.00 N ATOM 0 H LYS A 110 2.815 -7.578 -7.445 1.00 0.00 H new ATOM 0 HA LYS A 110 1.572 -9.015 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.306 -9.231 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.866 -10.139 -9.614 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.576 -8.150 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.543 -7.119 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.672 -6.703 -10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.011 -7.870 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.568 -9.547 -10.627 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.390 -9.033 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.507 -8.600 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.886 -7.085 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.057 -7.847 -11.292 1.00 0.00 H new ATOM 1786 N VAL A 118 3.357 -6.338 -13.455 1.00 0.00 N ATOM 1787 CA VAL A 118 3.490 -4.987 -12.919 1.00 0.00 C ATOM 1788 C VAL A 118 4.991 -4.669 -12.907 1.00 0.00 C ATOM 1789 O VAL A 118 5.808 -5.579 -12.710 1.00 0.00 O ATOM 1790 CB VAL A 118 2.876 -4.890 -11.497 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.735 -3.435 -11.030 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.503 -5.572 -11.378 1.00 0.00 C ATOM 0 HA VAL A 118 2.949 -4.265 -13.532 1.00 0.00 H new ATOM 0 HB VAL A 118 3.582 -5.419 -10.857 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.301 -3.414 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.717 -2.963 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.086 -2.893 -11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.132 -5.467 -10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.803 -5.103 -12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.600 -6.630 -11.621 1.00 0.00 H new ATOM 1802 N THR A 119 5.359 -3.403 -13.090 1.00 0.00 N ATOM 1803 CA THR A 119 6.743 -2.942 -13.143 1.00 0.00 C ATOM 1804 C THR A 119 6.918 -1.684 -12.283 1.00 0.00 C ATOM 1805 O THR A 119 5.936 -1.082 -11.836 1.00 0.00 O ATOM 1806 CB THR A 119 7.137 -2.702 -14.617 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.159 -1.929 -15.295 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.317 -4.024 -15.365 1.00 0.00 C ATOM 0 H THR A 119 4.683 -2.649 -13.209 1.00 0.00 H new ATOM 0 HA THR A 119 7.409 -3.701 -12.732 1.00 0.00 H new ATOM 0 HB THR A 119 8.082 -2.159 -14.603 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.210 -0.998 -14.992 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.594 -3.822 -16.400 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.103 -4.609 -14.887 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.383 -4.585 -15.343 1.00 0.00 H new ATOM 1816 N TRP A 120 8.167 -1.272 -12.049 1.00 0.00 N ATOM 1817 CA TRP A 120 8.481 0.014 -11.436 1.00 0.00 C ATOM 1818 C TRP A 120 9.785 0.561 -12.013 1.00 0.00 C ATOM 1819 O TRP A 120 10.629 -0.204 -12.490 1.00 0.00 O ATOM 1820 CB TRP A 120 8.564 -0.079 -9.903 1.00 0.00 C ATOM 1821 CG TRP A 120 9.716 -0.827 -9.310 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.847 -2.170 -9.258 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.909 -0.286 -8.660 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.012 -2.504 -8.601 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.706 -1.382 -8.205 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.401 1.017 -8.409 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 12.918 -1.200 -7.523 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.623 1.203 -7.733 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.378 0.104 -7.286 1.00 0.00 C ATOM 0 H TRP A 120 8.991 -1.827 -12.282 1.00 0.00 H new ATOM 0 HA TRP A 120 7.667 0.700 -11.670 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.584 0.936 -9.507 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.644 -0.542 -9.545 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.143 -2.878 -9.670 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.321 -3.461 -8.430 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.835 1.876 -8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.489 -2.052 -7.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.985 2.205 -7.555 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.309 0.263 -6.762 1.00 0.00 H new