USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 612 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 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc=-0.00898 USER MOD Set 2.1: A 61 THR OG1 : rot 171:sc= -0.785 USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -2.12! USER MOD Set 3.1: A 35 TYR OH : rot -13:sc= -7.93! USER MOD Set 3.2: A 39 THR OG1 : rot 52:sc= 1.81 USER MOD Set 3.3: A 60 THR OG1 : rot 80:sc= 0.827 USER MOD Set 3.4: A 69 THR OG1 : rot 77:sc= 0.526 USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.769 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.58 K(o=0.58,f=-5.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -52:sc= 0.425 USER MOD Single : A 25 THR OG1 : rot -33:sc= 0.828 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -60:sc= -2.79! USER MOD Single : A 41 ASN : amide:sc= -8.2! C(o=-8.2!,f=-18!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 56 SER OG : rot 169:sc= -2.48! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -1.91! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.88) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc=-3.5e-06 X(o=-3.5e-06,f=0) USER MOD Single : A 82 SER OG : rot -32:sc= -0.751! USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 86 TYR OH : rot 102:sc= -1.68! USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 89 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.3!) USER MOD Single : A 92 TYR OH : rot 69:sc= -3.57! USER MOD Single : A 93 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-0.94) USER MOD Single : A 95 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.063) USER MOD Single : A 100 SER OG : rot -105:sc= -1.15! USER MOD Single : A 101 THR OG1 : rot 170:sc= -0.125 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 8 1.612 8.942 -4.988 1.00 0.00 N ATOM 113 CA THR A 8 1.313 7.862 -5.912 1.00 0.00 C ATOM 114 C THR A 8 1.673 6.512 -5.290 1.00 0.00 C ATOM 115 O THR A 8 2.772 6.340 -4.763 1.00 0.00 O ATOM 116 CB THR A 8 2.052 8.145 -7.222 1.00 0.00 C ATOM 117 OG1 THR A 8 2.730 9.374 -6.981 1.00 0.00 O ATOM 118 CG2 THR A 8 1.100 8.464 -8.375 1.00 0.00 C ATOM 0 HA THR A 8 0.246 7.809 -6.128 1.00 0.00 H new ATOM 0 HB THR A 8 2.664 7.283 -7.486 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.979 9.430 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.676 8.657 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.434 7.617 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.510 9.346 -8.126 1.00 0.00 H new ATOM 126 N VAL A 9 0.728 5.587 -5.373 1.00 0.00 N ATOM 127 CA VAL A 9 0.932 4.257 -4.825 1.00 0.00 C ATOM 128 C VAL A 9 0.515 3.213 -5.863 1.00 0.00 C ATOM 129 O VAL A 9 -0.470 3.398 -6.576 1.00 0.00 O ATOM 130 CB VAL A 9 0.179 4.117 -3.500 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.300 3.809 -3.740 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.824 3.048 -2.615 1.00 0.00 C ATOM 0 H VAL A 9 -0.181 5.733 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 9 1.986 4.092 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 9 0.242 5.071 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.812 3.714 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.751 4.618 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.392 2.875 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.271 2.968 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.805 2.088 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.857 3.326 -2.403 1.00 0.00 H new ATOM 142 N LYS A 10 1.288 2.137 -5.915 1.00 0.00 N ATOM 143 CA LYS A 10 1.011 1.064 -6.855 1.00 0.00 C ATOM 144 C LYS A 10 1.160 -0.282 -6.142 1.00 0.00 C ATOM 145 O LYS A 10 1.809 -0.368 -5.101 1.00 0.00 O ATOM 146 CB LYS A 10 1.889 1.201 -8.101 1.00 0.00 C ATOM 147 CG LYS A 10 1.306 2.231 -9.071 1.00 0.00 C ATOM 148 CD LYS A 10 2.231 3.441 -9.208 1.00 0.00 C ATOM 149 CE LYS A 10 1.564 4.552 -10.021 1.00 0.00 C ATOM 150 NZ LYS A 10 2.584 5.449 -10.609 1.00 0.00 N ATOM 0 H LYS A 10 2.104 1.986 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.017 1.126 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.896 1.499 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.974 0.235 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.156 1.771 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.327 2.555 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.493 3.817 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.160 3.140 -9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.955 4.116 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.892 5.125 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.114 6.197 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.148 5.880 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.208 4.901 -11.235 1.00 0.00 H new ATOM 164 N ILE A 11 0.550 -1.299 -6.732 1.00 0.00 N ATOM 165 CA ILE A 11 0.607 -2.637 -6.169 1.00 0.00 C ATOM 166 C ILE A 11 0.954 -3.638 -7.273 1.00 0.00 C ATOM 167 O ILE A 11 0.188 -3.814 -8.218 1.00 0.00 O ATOM 168 CB ILE A 11 -0.692 -2.962 -5.428 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.403 -3.582 -4.060 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.599 -3.851 -6.279 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.773 -4.557 -4.137 1.00 0.00 C ATOM 0 H ILE A 11 0.013 -1.223 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 11 1.398 -2.702 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.227 -2.029 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.181 -2.795 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.289 -4.104 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.515 -4.067 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.845 -3.336 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.084 -4.784 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.957 -4.983 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.538 -5.356 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.663 -4.027 -4.475 1.00 0.00 H new ATOM 183 N LEU A 12 2.109 -4.268 -7.114 1.00 0.00 N ATOM 184 CA LEU A 12 2.566 -5.246 -8.087 1.00 0.00 C ATOM 185 C LEU A 12 2.809 -6.583 -7.382 1.00 0.00 C ATOM 186 O LEU A 12 3.434 -6.626 -6.323 1.00 0.00 O ATOM 187 CB LEU A 12 3.786 -4.719 -8.844 1.00 0.00 C ATOM 188 CG LEU A 12 3.592 -3.399 -9.592 1.00 0.00 C ATOM 189 CD1 LEU A 12 4.907 -2.922 -10.211 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.477 -3.516 -10.632 1.00 0.00 C ATOM 0 H LEU A 12 2.741 -4.121 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 12 1.801 -5.418 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.604 -4.595 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.099 -5.478 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 12 3.281 -2.641 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.742 -1.982 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.646 -2.772 -9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.271 -3.671 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.360 -2.564 -11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.733 -4.292 -11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.542 -3.776 -10.136 1.00 0.00 H new ATOM 202 N GLN A 13 2.304 -7.640 -7.998 1.00 0.00 N ATOM 203 CA GLN A 13 2.458 -8.974 -7.443 1.00 0.00 C ATOM 204 C GLN A 13 3.500 -9.764 -8.241 1.00 0.00 C ATOM 205 O GLN A 13 3.610 -9.601 -9.456 1.00 0.00 O ATOM 206 CB GLN A 13 1.118 -9.714 -7.410 1.00 0.00 C ATOM 207 CG GLN A 13 -0.038 -8.768 -7.742 1.00 0.00 C ATOM 208 CD GLN A 13 -0.229 -8.646 -9.256 1.00 0.00 C ATOM 209 OE1 GLN A 13 0.371 -7.815 -9.919 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.096 -9.516 -9.763 1.00 0.00 N ATOM 0 H GLN A 13 1.787 -7.601 -8.877 1.00 0.00 H new ATOM 0 HA GLN A 13 2.809 -8.880 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.135 -10.538 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.964 -10.151 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.956 -9.136 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.159 -7.784 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.564 -10.185 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.294 -9.515 -10.764 1.00 0.00 H new ATOM 219 N SER A 14 4.237 -10.600 -7.525 1.00 0.00 N ATOM 220 CA SER A 14 5.264 -11.414 -8.150 1.00 0.00 C ATOM 221 C SER A 14 5.152 -12.861 -7.666 1.00 0.00 C ATOM 222 O SER A 14 5.937 -13.302 -6.827 1.00 0.00 O ATOM 223 CB SER A 14 6.661 -10.862 -7.852 1.00 0.00 C ATOM 224 OG SER A 14 7.431 -10.693 -9.039 1.00 0.00 O ATOM 0 H SER A 14 4.143 -10.731 -6.518 1.00 0.00 H new ATOM 0 HA SER A 14 5.113 -11.386 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.571 -9.905 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.182 -11.539 -7.175 1.00 0.00 H new ATOM 0 HG SER A 14 8.315 -10.338 -8.808 1.00 0.00 H new ATOM 230 N SER A 15 4.170 -13.561 -8.215 1.00 0.00 N ATOM 231 CA SER A 15 3.946 -14.949 -7.850 1.00 0.00 C ATOM 232 C SER A 15 3.982 -15.832 -9.099 1.00 0.00 C ATOM 233 O SER A 15 3.129 -16.700 -9.274 1.00 0.00 O ATOM 234 CB SER A 15 2.612 -15.118 -7.119 1.00 0.00 C ATOM 235 OG SER A 15 2.431 -16.446 -6.635 1.00 0.00 O ATOM 0 H SER A 15 3.521 -13.193 -8.910 1.00 0.00 H new ATOM 0 HA SER A 15 4.743 -15.257 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.565 -14.419 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.795 -14.864 -7.794 1.00 0.00 H new ATOM 0 HG SER A 15 2.568 -17.083 -7.367 1.00 0.00 H new ATOM 351 N THR A 25 6.124 -19.023 -2.805 1.00 0.00 N ATOM 352 CA THR A 25 5.801 -17.866 -1.987 1.00 0.00 C ATOM 353 C THR A 25 5.131 -16.783 -2.836 1.00 0.00 C ATOM 354 O THR A 25 4.749 -17.032 -3.977 1.00 0.00 O ATOM 355 CB THR A 25 7.087 -17.397 -1.305 1.00 0.00 C ATOM 356 OG1 THR A 25 8.093 -17.577 -2.297 1.00 0.00 O ATOM 357 CG2 THR A 25 7.517 -18.323 -0.165 1.00 0.00 C ATOM 0 HA THR A 25 5.078 -18.118 -1.211 1.00 0.00 H new ATOM 0 HB THR A 25 6.945 -16.388 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.875 -18.360 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.435 -17.944 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.731 -18.360 0.590 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.691 -19.325 -0.556 1.00 0.00 H new ATOM 365 N ILE A 26 5.011 -15.604 -2.242 1.00 0.00 N ATOM 366 CA ILE A 26 4.393 -14.481 -2.929 1.00 0.00 C ATOM 367 C ILE A 26 5.279 -13.244 -2.769 1.00 0.00 C ATOM 368 O ILE A 26 5.737 -12.943 -1.669 1.00 0.00 O ATOM 369 CB ILE A 26 2.959 -14.279 -2.443 1.00 0.00 C ATOM 370 CG1 ILE A 26 1.987 -14.187 -3.621 1.00 0.00 C ATOM 371 CG2 ILE A 26 2.857 -13.061 -1.522 1.00 0.00 C ATOM 372 CD1 ILE A 26 0.687 -13.495 -3.209 1.00 0.00 C ATOM 0 H ILE A 26 5.330 -15.402 -1.295 1.00 0.00 H new ATOM 0 HA ILE A 26 4.315 -14.682 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 26 2.673 -15.152 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.452 -13.636 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.768 -15.187 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.826 -12.941 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.502 -13.205 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.171 -12.168 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.015 -13.443 -4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.211 -14.061 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.907 -12.486 -2.859 1.00 0.00 H new ATOM 384 N GLN A 27 5.491 -12.559 -3.884 1.00 0.00 N ATOM 385 CA GLN A 27 6.312 -11.359 -3.879 1.00 0.00 C ATOM 386 C GLN A 27 5.479 -10.145 -4.293 1.00 0.00 C ATOM 387 O GLN A 27 5.478 -9.757 -5.461 1.00 0.00 O ATOM 388 CB GLN A 27 7.530 -11.527 -4.791 1.00 0.00 C ATOM 389 CG GLN A 27 8.814 -11.657 -3.971 1.00 0.00 C ATOM 390 CD GLN A 27 9.270 -13.116 -3.891 1.00 0.00 C ATOM 391 OE1 GLN A 27 8.474 -14.040 -3.869 1.00 0.00 O ATOM 392 NE2 GLN A 27 10.589 -13.268 -3.848 1.00 0.00 N ATOM 0 H GLN A 27 5.109 -12.812 -4.796 1.00 0.00 H new ATOM 0 HA GLN A 27 6.678 -11.194 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.402 -12.411 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.608 -10.671 -5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.600 -11.051 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.649 -11.269 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.198 -12.450 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.993 -14.203 -3.793 1.00 0.00 H new ATOM 401 N LEU A 28 4.790 -9.578 -3.315 1.00 0.00 N ATOM 402 CA LEU A 28 3.955 -8.415 -3.563 1.00 0.00 C ATOM 403 C LEU A 28 4.695 -7.154 -3.107 1.00 0.00 C ATOM 404 O LEU A 28 4.853 -6.924 -1.910 1.00 0.00 O ATOM 405 CB LEU A 28 2.583 -8.592 -2.911 1.00 0.00 C ATOM 406 CG LEU A 28 2.008 -10.011 -2.934 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.434 -10.390 -1.567 1.00 0.00 C ATOM 408 CD2 LEU A 28 0.976 -10.166 -4.053 1.00 0.00 C ATOM 0 H LEU A 28 4.793 -9.902 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 28 3.763 -8.304 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.651 -8.265 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.877 -7.927 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 28 2.820 -10.707 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.032 -11.402 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.222 -10.344 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.638 -9.694 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.583 -11.183 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.160 -9.461 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.449 -9.965 -5.014 1.00 0.00 H new ATOM 420 N LEU A 29 5.126 -6.374 -4.087 1.00 0.00 N ATOM 421 CA LEU A 29 5.844 -5.143 -3.800 1.00 0.00 C ATOM 422 C LEU A 29 4.978 -3.947 -4.200 1.00 0.00 C ATOM 423 O LEU A 29 4.468 -3.891 -5.319 1.00 0.00 O ATOM 424 CB LEU A 29 7.220 -5.158 -4.471 1.00 0.00 C ATOM 425 CG LEU A 29 7.326 -5.963 -5.767 1.00 0.00 C ATOM 426 CD1 LEU A 29 6.429 -5.371 -6.855 1.00 0.00 C ATOM 427 CD2 LEU A 29 8.782 -6.077 -6.223 1.00 0.00 C ATOM 0 H LEU A 29 4.992 -6.570 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 29 6.036 -5.054 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.511 -4.129 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.945 -5.555 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 29 6.969 -6.974 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.523 -5.962 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.392 -5.385 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.731 -4.343 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.830 -6.654 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.188 -5.080 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.367 -6.578 -5.451 1.00 0.00 H new ATOM 439 N CYS A 30 4.838 -3.020 -3.265 1.00 0.00 N ATOM 440 CA CYS A 30 4.042 -1.828 -3.507 1.00 0.00 C ATOM 441 C CYS A 30 4.963 -0.739 -4.064 1.00 0.00 C ATOM 442 O CYS A 30 6.113 -0.622 -3.644 1.00 0.00 O ATOM 443 CB CYS A 30 3.314 -1.369 -2.243 1.00 0.00 C ATOM 444 SG CYS A 30 1.511 -1.123 -2.442 1.00 0.00 S ATOM 0 H CYS A 30 5.262 -3.069 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 30 3.262 -2.050 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.481 -2.105 -1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.759 -0.433 -1.904 1.00 0.00 H new ATOM 449 N LEU A 31 4.423 0.027 -4.999 1.00 0.00 N ATOM 450 CA LEU A 31 5.182 1.103 -5.615 1.00 0.00 C ATOM 451 C LEU A 31 4.585 2.448 -5.196 1.00 0.00 C ATOM 452 O LEU A 31 3.598 2.900 -5.773 1.00 0.00 O ATOM 453 CB LEU A 31 5.251 0.906 -7.131 1.00 0.00 C ATOM 454 CG LEU A 31 4.557 -0.342 -7.678 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.324 -0.223 -9.186 1.00 0.00 C ATOM 456 CD2 LEU A 31 5.337 -1.607 -7.318 1.00 0.00 C ATOM 0 H LEU A 31 3.469 -0.075 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 31 6.215 1.091 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.813 1.781 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.300 0.873 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 31 3.578 -0.422 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.829 -1.123 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.696 0.644 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.281 -0.105 -9.694 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.821 -2.479 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.339 -1.550 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.408 -1.695 -6.234 1.00 0.00 H new ATOM 468 N VAL A 32 5.211 3.050 -4.194 1.00 0.00 N ATOM 469 CA VAL A 32 4.756 4.333 -3.692 1.00 0.00 C ATOM 470 C VAL A 32 5.934 5.308 -3.650 1.00 0.00 C ATOM 471 O VAL A 32 6.929 5.058 -2.970 1.00 0.00 O ATOM 472 CB VAL A 32 4.083 4.153 -2.328 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.125 4.061 -1.212 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.086 5.279 -2.057 1.00 0.00 C ATOM 0 H VAL A 32 6.029 2.671 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 32 4.005 4.758 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 32 3.530 3.214 -2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.621 3.934 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.779 3.208 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.718 4.975 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.622 5.127 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.607 6.236 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.317 5.277 -2.829 1.00 0.00 H new ATOM 484 N SER A 33 5.786 6.397 -4.390 1.00 0.00 N ATOM 485 CA SER A 33 6.826 7.412 -4.446 1.00 0.00 C ATOM 486 C SER A 33 6.222 8.759 -4.849 1.00 0.00 C ATOM 487 O SER A 33 5.019 8.858 -5.089 1.00 0.00 O ATOM 488 CB SER A 33 7.929 7.012 -5.428 1.00 0.00 C ATOM 489 OG SER A 33 7.402 6.544 -6.666 1.00 0.00 O ATOM 0 H SER A 33 4.962 6.599 -4.956 1.00 0.00 H new ATOM 0 HA SER A 33 7.271 7.502 -3.455 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.578 7.868 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.547 6.234 -4.980 1.00 0.00 H new ATOM 0 HG SER A 33 8.139 6.301 -7.264 1.00 0.00 H new ATOM 495 N GLY A 34 7.084 9.763 -4.906 1.00 0.00 N ATOM 496 CA GLY A 34 6.651 11.100 -5.274 1.00 0.00 C ATOM 497 C GLY A 34 6.114 11.856 -4.057 1.00 0.00 C ATOM 498 O GLY A 34 6.436 13.027 -3.858 1.00 0.00 O ATOM 0 H GLY A 34 8.080 9.678 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.486 11.650 -5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.877 11.038 -6.039 1.00 0.00 H new ATOM 502 N TYR A 35 5.307 11.157 -3.274 1.00 0.00 N ATOM 503 CA TYR A 35 4.722 11.747 -2.083 1.00 0.00 C ATOM 504 C TYR A 35 5.802 12.078 -1.050 1.00 0.00 C ATOM 505 O TYR A 35 6.875 11.477 -1.052 1.00 0.00 O ATOM 506 CB TYR A 35 3.786 10.685 -1.501 1.00 0.00 C ATOM 507 CG TYR A 35 4.501 9.428 -1.005 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.331 9.497 0.097 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.320 8.226 -1.658 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.004 8.312 0.564 1.00 0.00 C ATOM 511 CE2 TYR A 35 4.995 7.043 -1.191 1.00 0.00 C ATOM 512 CZ TYR A 35 5.804 7.146 -0.103 1.00 0.00 C ATOM 513 OH TYR A 35 6.441 6.027 0.339 1.00 0.00 O ATOM 0 H TYR A 35 5.044 10.186 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 35 4.202 12.673 -2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.227 11.123 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.059 10.400 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.475 10.438 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.672 8.172 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.654 8.350 1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.862 6.096 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 35 7.136 6.279 0.983 1.00 0.00 H new ATOM 523 N THR A 36 5.481 13.034 -0.190 1.00 0.00 N ATOM 524 CA THR A 36 6.409 13.452 0.846 1.00 0.00 C ATOM 525 C THR A 36 7.792 13.714 0.248 1.00 0.00 C ATOM 526 O THR A 36 8.215 13.020 -0.675 1.00 0.00 O ATOM 527 CB THR A 36 6.412 12.382 1.939 1.00 0.00 C ATOM 528 OG1 THR A 36 5.040 12.022 2.078 1.00 0.00 O ATOM 529 CG2 THR A 36 6.790 12.945 3.310 1.00 0.00 C ATOM 0 H THR A 36 4.590 13.531 -0.190 1.00 0.00 H new ATOM 0 HA THR A 36 6.100 14.395 1.297 1.00 0.00 H new ATOM 0 HB THR A 36 7.110 11.590 1.667 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.520 12.811 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.777 12.144 4.049 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.789 13.378 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.074 13.715 3.597 1.00 0.00 H new ATOM 537 N PRO A 37 8.477 14.744 0.812 1.00 0.00 N ATOM 538 CA PRO A 37 9.805 15.107 0.345 1.00 0.00 C ATOM 539 C PRO A 37 10.849 14.101 0.831 1.00 0.00 C ATOM 540 O PRO A 37 11.983 14.098 0.353 1.00 0.00 O ATOM 541 CB PRO A 37 10.038 16.511 0.878 1.00 0.00 C ATOM 542 CG PRO A 37 9.038 16.703 2.006 1.00 0.00 C ATOM 543 CD PRO A 37 8.008 15.589 1.907 1.00 0.00 C ATOM 0 HA PRO A 37 9.890 15.089 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.060 16.627 1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.890 17.255 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.541 16.673 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.556 17.677 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.941 15.028 2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.014 15.986 1.702 1.00 0.00 H new ATOM 551 N GLY A 38 10.432 13.269 1.773 1.00 0.00 N ATOM 552 CA GLY A 38 11.318 12.261 2.329 1.00 0.00 C ATOM 553 C GLY A 38 10.705 10.865 2.207 1.00 0.00 C ATOM 554 O GLY A 38 11.343 9.945 1.699 1.00 0.00 O ATOM 0 H GLY A 38 9.491 13.272 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.276 12.288 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.517 12.485 3.377 1.00 0.00 H new ATOM 558 N THR A 39 9.472 10.752 2.681 1.00 0.00 N ATOM 559 CA THR A 39 8.765 9.484 2.631 1.00 0.00 C ATOM 560 C THR A 39 7.598 9.484 3.621 1.00 0.00 C ATOM 561 O THR A 39 7.456 10.411 4.417 1.00 0.00 O ATOM 562 CB THR A 39 9.779 8.366 2.888 1.00 0.00 C ATOM 563 OG1 THR A 39 10.136 7.915 1.586 1.00 0.00 O ATOM 564 CG2 THR A 39 9.144 7.139 3.547 1.00 0.00 C ATOM 0 H THR A 39 8.945 11.518 3.101 1.00 0.00 H new ATOM 0 HA THR A 39 8.319 9.319 1.650 1.00 0.00 H new ATOM 0 HB THR A 39 10.582 8.743 3.521 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.401 8.681 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.906 6.377 3.707 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.710 7.424 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.363 6.741 2.899 1.00 0.00 H new ATOM 572 N ILE A 40 6.793 8.436 3.538 1.00 0.00 N ATOM 573 CA ILE A 40 5.643 8.304 4.417 1.00 0.00 C ATOM 574 C ILE A 40 5.822 7.070 5.304 1.00 0.00 C ATOM 575 O ILE A 40 6.933 6.771 5.740 1.00 0.00 O ATOM 576 CB ILE A 40 4.346 8.294 3.604 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.315 7.111 2.635 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.140 9.628 2.886 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.399 7.399 1.445 1.00 0.00 C ATOM 0 H ILE A 40 6.914 7.670 2.876 1.00 0.00 H new ATOM 0 HA ILE A 40 5.570 9.166 5.081 1.00 0.00 H new ATOM 0 HB ILE A 40 3.512 8.167 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.324 6.902 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.969 6.218 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.212 9.595 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.086 10.432 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.975 9.810 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.396 6.541 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.386 7.584 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.761 8.277 0.911 1.00 0.00 H new ATOM 591 N ASN A 41 4.713 6.388 5.544 1.00 0.00 N ATOM 592 CA ASN A 41 4.734 5.192 6.371 1.00 0.00 C ATOM 593 C ASN A 41 4.430 3.970 5.503 1.00 0.00 C ATOM 594 O ASN A 41 3.438 3.953 4.775 1.00 0.00 O ATOM 595 CB ASN A 41 3.675 5.266 7.471 1.00 0.00 C ATOM 596 CG ASN A 41 3.087 6.675 7.575 1.00 0.00 C ATOM 597 OD1 ASN A 41 2.665 7.273 6.600 1.00 0.00 O ATOM 598 ND2 ASN A 41 3.085 7.172 8.809 1.00 0.00 N ATOM 0 H ASN A 41 3.794 6.640 5.181 1.00 0.00 H new ATOM 0 HA ASN A 41 5.722 5.114 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.879 4.551 7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.117 4.982 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.715 8.107 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.454 6.618 9.582 1.00 0.00 H new ATOM 605 N ILE A 42 5.302 2.979 5.608 1.00 0.00 N ATOM 606 CA ILE A 42 5.139 1.755 4.839 1.00 0.00 C ATOM 607 C ILE A 42 4.671 0.634 5.769 1.00 0.00 C ATOM 608 O ILE A 42 5.382 0.254 6.698 1.00 0.00 O ATOM 609 CB ILE A 42 6.424 1.426 4.075 1.00 0.00 C ATOM 610 CG1 ILE A 42 6.607 2.364 2.880 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.452 -0.045 3.660 1.00 0.00 C ATOM 612 CD1 ILE A 42 5.990 3.735 3.161 1.00 0.00 C ATOM 0 H ILE A 42 6.123 2.997 6.213 1.00 0.00 H new ATOM 0 HA ILE A 42 4.369 1.882 4.078 1.00 0.00 H new ATOM 0 HB ILE A 42 7.270 1.588 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.669 2.477 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.144 1.927 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.375 -0.253 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.402 -0.675 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.598 -0.258 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.134 4.383 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.924 3.621 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.472 4.180 4.031 1.00 0.00 H new ATOM 624 N THR A 43 3.477 0.135 5.485 1.00 0.00 N ATOM 625 CA THR A 43 2.904 -0.936 6.285 1.00 0.00 C ATOM 626 C THR A 43 1.999 -1.819 5.424 1.00 0.00 C ATOM 627 O THR A 43 1.641 -1.445 4.309 1.00 0.00 O ATOM 628 CB THR A 43 2.183 -0.303 7.476 1.00 0.00 C ATOM 629 OG1 THR A 43 1.715 -1.418 8.230 1.00 0.00 O ATOM 630 CG2 THR A 43 0.906 0.432 7.065 1.00 0.00 C ATOM 0 H THR A 43 2.890 0.452 4.713 1.00 0.00 H new ATOM 0 HA THR A 43 3.678 -1.599 6.672 1.00 0.00 H new ATOM 0 HB THR A 43 2.855 0.392 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.236 -1.099 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.434 0.862 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.154 1.227 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.219 -0.269 6.591 1.00 0.00 H new ATOM 638 N TRP A 44 1.652 -2.972 5.976 1.00 0.00 N ATOM 639 CA TRP A 44 0.793 -3.910 5.273 1.00 0.00 C ATOM 640 C TRP A 44 -0.192 -4.498 6.284 1.00 0.00 C ATOM 641 O TRP A 44 0.212 -4.985 7.339 1.00 0.00 O ATOM 642 CB TRP A 44 1.622 -4.978 4.554 1.00 0.00 C ATOM 643 CG TRP A 44 2.663 -4.412 3.587 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.653 -3.551 3.853 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.777 -4.704 2.179 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.395 -3.267 2.724 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.844 -3.992 1.673 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.002 -5.544 1.358 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.236 -4.045 0.330 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.407 -5.587 0.019 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.478 -4.875 -0.505 1.00 0.00 C ATOM 0 H TRP A 44 1.950 -3.278 6.902 1.00 0.00 H new ATOM 0 HA TRP A 44 0.227 -3.404 4.491 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.129 -5.592 5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.949 -5.635 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.847 -3.131 4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.199 -2.641 2.671 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.162 -6.110 1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.076 -3.477 -0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.847 -6.219 -0.655 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.725 -4.961 -1.553 1.00 0.00 H new ATOM 662 N LEU A 45 -1.465 -4.435 5.927 1.00 0.00 N ATOM 663 CA LEU A 45 -2.513 -4.954 6.790 1.00 0.00 C ATOM 664 C LEU A 45 -2.736 -6.435 6.478 1.00 0.00 C ATOM 665 O LEU A 45 -3.226 -6.780 5.403 1.00 0.00 O ATOM 666 CB LEU A 45 -3.779 -4.102 6.669 1.00 0.00 C ATOM 667 CG LEU A 45 -5.077 -4.761 7.140 1.00 0.00 C ATOM 668 CD1 LEU A 45 -4.956 -5.235 8.590 1.00 0.00 C ATOM 669 CD2 LEU A 45 -6.271 -3.826 6.940 1.00 0.00 C ATOM 0 H LEU A 45 -1.796 -4.032 5.050 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.213 -4.889 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.632 -3.185 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.900 -3.812 5.625 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.254 -5.644 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.892 -5.700 8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.147 -5.961 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.743 -4.382 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.181 -4.319 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.116 -2.911 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.368 -3.581 5.882 1.00 0.00 H new ATOM 681 N GLU A 46 -2.367 -7.271 7.437 1.00 0.00 N ATOM 682 CA GLU A 46 -2.521 -8.707 7.278 1.00 0.00 C ATOM 683 C GLU A 46 -3.761 -9.196 8.030 1.00 0.00 C ATOM 684 O GLU A 46 -4.073 -8.697 9.109 1.00 0.00 O ATOM 685 CB GLU A 46 -1.268 -9.448 7.749 1.00 0.00 C ATOM 686 CG GLU A 46 -0.816 -10.478 6.712 1.00 0.00 C ATOM 687 CD GLU A 46 -1.240 -11.890 7.120 1.00 0.00 C ATOM 688 OE1 GLU A 46 -0.405 -12.674 7.598 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.484 -12.163 6.926 1.00 0.00 O ATOM 0 H GLU A 46 -1.962 -6.981 8.327 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.655 -8.922 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.465 -8.733 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.471 -9.946 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.244 -10.233 5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.268 -10.437 6.602 1.00 0.00 H new ATOM 697 N ASP A 47 -4.435 -10.163 7.425 1.00 0.00 N ATOM 698 CA ASP A 47 -5.635 -10.724 8.024 1.00 0.00 C ATOM 699 C ASP A 47 -5.671 -12.231 7.767 1.00 0.00 C ATOM 700 O ASP A 47 -6.015 -12.669 6.670 1.00 0.00 O ATOM 701 CB ASP A 47 -6.896 -10.108 7.412 1.00 0.00 C ATOM 702 CG ASP A 47 -7.711 -9.227 8.360 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.797 -9.616 8.819 1.00 0.00 O ATOM 704 OD2 ASP A 47 -7.184 -8.080 8.627 1.00 0.00 O ATOM 0 H ASP A 47 -4.174 -10.572 6.528 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.611 -10.509 9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.608 -9.513 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.535 -10.912 7.048 1.00 0.00 H new ATOM 796 N ASP A 54 5.077 -14.235 7.105 1.00 0.00 N ATOM 797 CA ASP A 54 5.126 -13.438 5.893 1.00 0.00 C ATOM 798 C ASP A 54 4.891 -11.966 6.245 1.00 0.00 C ATOM 799 O ASP A 54 3.883 -11.625 6.860 1.00 0.00 O ATOM 800 CB ASP A 54 4.037 -13.866 4.907 1.00 0.00 C ATOM 801 CG ASP A 54 2.607 -13.547 5.344 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.174 -12.386 5.315 1.00 0.00 O ATOM 803 OD2 ASP A 54 1.915 -14.565 5.731 1.00 0.00 O ATOM 0 HA ASP A 54 6.105 -13.582 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.225 -13.381 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.119 -14.940 4.742 1.00 0.00 H new ATOM 809 N LEU A 55 5.841 -11.135 5.839 1.00 0.00 N ATOM 810 CA LEU A 55 5.751 -9.710 6.103 1.00 0.00 C ATOM 811 C LEU A 55 6.197 -8.935 4.862 1.00 0.00 C ATOM 812 O LEU A 55 6.894 -9.479 4.004 1.00 0.00 O ATOM 813 CB LEU A 55 6.533 -9.349 7.369 1.00 0.00 C ATOM 814 CG LEU A 55 7.678 -8.351 7.186 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.668 -8.841 6.125 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.144 -6.953 6.869 1.00 0.00 C ATOM 0 H LEU A 55 6.676 -11.422 5.329 1.00 0.00 H new ATOM 0 HA LEU A 55 4.718 -9.424 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.835 -8.941 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.941 -10.266 7.795 1.00 0.00 H new ATOM 0 HG LEU A 55 8.222 -8.281 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.472 -8.114 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.086 -9.800 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.152 -8.959 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.979 -6.264 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.560 -6.986 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.511 -6.611 7.688 1.00 0.00 H new ATOM 828 N SER A 56 5.780 -7.679 4.804 1.00 0.00 N ATOM 829 CA SER A 56 6.128 -6.827 3.681 1.00 0.00 C ATOM 830 C SER A 56 6.790 -5.542 4.186 1.00 0.00 C ATOM 831 O SER A 56 6.311 -4.923 5.136 1.00 0.00 O ATOM 832 CB SER A 56 4.895 -6.491 2.841 1.00 0.00 C ATOM 833 OG SER A 56 3.686 -6.854 3.499 1.00 0.00 O ATOM 0 H SER A 56 5.204 -7.231 5.517 1.00 0.00 H new ATOM 0 HA SER A 56 6.831 -7.368 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.884 -5.423 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.956 -7.009 1.884 1.00 0.00 H new ATOM 0 HG SER A 56 2.924 -6.462 3.023 1.00 0.00 H new ATOM 839 N THR A 57 7.883 -5.180 3.530 1.00 0.00 N ATOM 840 CA THR A 57 8.616 -3.981 3.901 1.00 0.00 C ATOM 841 C THR A 57 8.933 -3.145 2.658 1.00 0.00 C ATOM 842 O THR A 57 9.029 -3.677 1.554 1.00 0.00 O ATOM 843 CB THR A 57 9.863 -4.412 4.678 1.00 0.00 C ATOM 844 OG1 THR A 57 9.663 -5.803 4.912 1.00 0.00 O ATOM 845 CG2 THR A 57 9.916 -3.800 6.079 1.00 0.00 C ATOM 0 H THR A 57 8.279 -5.696 2.744 1.00 0.00 H new ATOM 0 HA THR A 57 8.020 -3.335 4.546 1.00 0.00 H new ATOM 0 HB THR A 57 10.756 -4.126 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.426 -6.164 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.819 -4.136 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.927 -2.713 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.040 -4.114 6.647 1.00 0.00 H new ATOM 853 N ALA A 58 9.087 -1.847 2.882 1.00 0.00 N ATOM 854 CA ALA A 58 9.391 -0.933 1.795 1.00 0.00 C ATOM 855 C ALA A 58 10.507 0.019 2.232 1.00 0.00 C ATOM 856 O ALA A 58 10.653 0.307 3.419 1.00 0.00 O ATOM 857 CB ALA A 58 8.120 -0.188 1.384 1.00 0.00 C ATOM 0 H ALA A 58 9.007 -1.408 3.799 1.00 0.00 H new ATOM 0 HA ALA A 58 9.746 -1.480 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.348 0.498 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.368 -0.905 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.737 0.375 2.235 1.00 0.00 H new ATOM 863 N SER A 59 11.267 0.478 1.249 1.00 0.00 N ATOM 864 CA SER A 59 12.366 1.390 1.517 1.00 0.00 C ATOM 865 C SER A 59 12.030 2.785 0.985 1.00 0.00 C ATOM 866 O SER A 59 11.142 2.937 0.148 1.00 0.00 O ATOM 867 CB SER A 59 13.668 0.883 0.892 1.00 0.00 C ATOM 868 OG SER A 59 14.604 0.458 1.878 1.00 0.00 O ATOM 0 H SER A 59 11.144 0.236 0.266 1.00 0.00 H new ATOM 0 HA SER A 59 12.510 1.444 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.448 0.054 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.112 1.674 0.288 1.00 0.00 H new ATOM 0 HG SER A 59 15.420 0.140 1.439 1.00 0.00 H new ATOM 874 N THR A 60 12.758 3.769 1.495 1.00 0.00 N ATOM 875 CA THR A 60 12.549 5.146 1.082 1.00 0.00 C ATOM 876 C THR A 60 13.660 5.592 0.130 1.00 0.00 C ATOM 877 O THR A 60 14.805 5.160 0.260 1.00 0.00 O ATOM 878 CB THR A 60 12.445 6.006 2.341 1.00 0.00 C ATOM 879 OG1 THR A 60 12.474 7.344 1.853 1.00 0.00 O ATOM 880 CG2 THR A 60 13.692 5.905 3.225 1.00 0.00 C ATOM 0 H THR A 60 13.493 3.639 2.190 1.00 0.00 H new ATOM 0 HA THR A 60 11.621 5.254 0.520 1.00 0.00 H new ATOM 0 HB THR A 60 11.568 5.704 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.586 7.589 1.518 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.566 6.535 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.834 4.870 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.564 6.238 2.663 1.00 0.00 H new ATOM 888 N THR A 61 13.284 6.451 -0.805 1.00 0.00 N ATOM 889 CA THR A 61 14.235 6.960 -1.779 1.00 0.00 C ATOM 890 C THR A 61 13.997 8.452 -2.028 1.00 0.00 C ATOM 891 O THR A 61 12.921 8.970 -1.730 1.00 0.00 O ATOM 892 CB THR A 61 14.119 6.108 -3.045 1.00 0.00 C ATOM 893 OG1 THR A 61 12.768 5.657 -3.037 1.00 0.00 O ATOM 894 CG2 THR A 61 14.941 4.820 -2.959 1.00 0.00 C ATOM 0 H THR A 61 12.334 6.808 -0.909 1.00 0.00 H new ATOM 0 HA THR A 61 15.258 6.882 -1.410 1.00 0.00 H new ATOM 0 HB THR A 61 14.444 6.691 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.564 5.221 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.824 4.252 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.993 5.068 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.592 4.221 -2.118 1.00 0.00 H new ATOM 902 N GLN A 62 15.017 9.099 -2.570 1.00 0.00 N ATOM 903 CA GLN A 62 14.932 10.521 -2.862 1.00 0.00 C ATOM 904 C GLN A 62 14.830 10.747 -4.372 1.00 0.00 C ATOM 905 O GLN A 62 15.616 10.194 -5.140 1.00 0.00 O ATOM 906 CB GLN A 62 16.127 11.273 -2.273 1.00 0.00 C ATOM 907 CG GLN A 62 15.817 11.773 -0.860 1.00 0.00 C ATOM 908 CD GLN A 62 15.517 10.605 0.081 1.00 0.00 C ATOM 909 OE1 GLN A 62 14.404 10.415 0.541 1.00 0.00 O ATOM 910 NE2 GLN A 62 16.570 9.834 0.339 1.00 0.00 N ATOM 0 H GLN A 62 15.907 8.666 -2.815 1.00 0.00 H new ATOM 0 HA GLN A 62 14.030 10.916 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.997 10.617 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.382 12.117 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.664 12.344 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.963 12.450 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.475 10.050 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.473 9.027 0.955 1.00 0.00 H new ATOM 919 N GLU A 63 13.855 11.560 -4.752 1.00 0.00 N ATOM 920 CA GLU A 63 13.642 11.867 -6.155 1.00 0.00 C ATOM 921 C GLU A 63 13.519 13.380 -6.356 1.00 0.00 C ATOM 922 O GLU A 63 12.466 13.872 -6.757 1.00 0.00 O ATOM 923 CB GLU A 63 12.408 11.141 -6.692 1.00 0.00 C ATOM 924 CG GLU A 63 12.620 9.626 -6.695 1.00 0.00 C ATOM 925 CD GLU A 63 11.720 8.948 -7.730 1.00 0.00 C ATOM 926 OE1 GLU A 63 12.210 8.487 -8.772 1.00 0.00 O ATOM 927 OE2 GLU A 63 10.468 8.906 -7.418 1.00 0.00 O ATOM 0 H GLU A 63 13.204 12.015 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 63 14.506 11.515 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.541 11.389 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.192 11.483 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.664 9.402 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.408 9.224 -5.704 1.00 0.00 H new ATOM 935 N GLY A 64 14.611 14.072 -6.068 1.00 0.00 N ATOM 936 CA GLY A 64 14.639 15.519 -6.211 1.00 0.00 C ATOM 937 C GLY A 64 13.792 16.194 -5.129 1.00 0.00 C ATOM 938 O GLY A 64 14.184 16.232 -3.964 1.00 0.00 O ATOM 0 H GLY A 64 15.483 13.659 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.667 15.874 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.266 15.798 -7.196 1.00 0.00 H new ATOM 942 N GLU A 65 12.648 16.708 -5.553 1.00 0.00 N ATOM 943 CA GLU A 65 11.743 17.378 -4.636 1.00 0.00 C ATOM 944 C GLU A 65 10.665 16.409 -4.149 1.00 0.00 C ATOM 945 O GLU A 65 9.831 16.768 -3.319 1.00 0.00 O ATOM 946 CB GLU A 65 11.116 18.613 -5.287 1.00 0.00 C ATOM 947 CG GLU A 65 10.460 19.513 -4.239 1.00 0.00 C ATOM 948 CD GLU A 65 11.105 20.899 -4.226 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.116 21.589 -5.257 1.00 0.00 O ATOM 950 OE2 GLU A 65 11.610 21.257 -3.094 1.00 0.00 O ATOM 0 H GLU A 65 12.327 16.674 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 65 12.317 17.715 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.881 19.173 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.373 18.303 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.395 19.606 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.551 19.056 -3.254 1.00 0.00 H new ATOM 958 N LEU A 66 10.717 15.198 -4.685 1.00 0.00 N ATOM 959 CA LEU A 66 9.755 14.174 -4.315 1.00 0.00 C ATOM 960 C LEU A 66 10.459 13.092 -3.493 1.00 0.00 C ATOM 961 O LEU A 66 11.679 13.126 -3.331 1.00 0.00 O ATOM 962 CB LEU A 66 9.042 13.634 -5.556 1.00 0.00 C ATOM 963 CG LEU A 66 9.089 14.528 -6.797 1.00 0.00 C ATOM 964 CD1 LEU A 66 10.101 14.000 -7.815 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.695 14.692 -7.407 1.00 0.00 C ATOM 0 H LEU A 66 11.410 14.903 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 66 8.973 14.597 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.479 12.669 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.998 13.454 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 66 9.426 15.519 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.115 14.654 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.093 13.977 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.818 12.993 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.756 15.332 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.306 13.715 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.028 15.146 -6.674 1.00 0.00 H new ATOM 977 N ALA A 67 9.662 12.160 -2.994 1.00 0.00 N ATOM 978 CA ALA A 67 10.194 11.070 -2.193 1.00 0.00 C ATOM 979 C ALA A 67 9.544 9.757 -2.630 1.00 0.00 C ATOM 980 O ALA A 67 8.326 9.609 -2.562 1.00 0.00 O ATOM 981 CB ALA A 67 9.963 11.369 -0.709 1.00 0.00 C ATOM 0 H ALA A 67 8.651 12.136 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 67 11.269 10.971 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.361 10.552 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.469 12.297 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.894 11.471 -0.520 1.00 0.00 H new ATOM 987 N SER A 68 10.388 8.835 -3.071 1.00 0.00 N ATOM 988 CA SER A 68 9.912 7.537 -3.520 1.00 0.00 C ATOM 989 C SER A 68 9.942 6.539 -2.361 1.00 0.00 C ATOM 990 O SER A 68 10.403 6.864 -1.268 1.00 0.00 O ATOM 991 CB SER A 68 10.752 7.017 -4.690 1.00 0.00 C ATOM 992 OG SER A 68 10.531 5.631 -4.929 1.00 0.00 O ATOM 0 H SER A 68 11.399 8.961 -3.127 1.00 0.00 H new ATOM 0 HA SER A 68 8.885 7.651 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.511 7.583 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.808 7.185 -4.481 1.00 0.00 H new ATOM 0 HG SER A 68 11.083 5.337 -5.683 1.00 0.00 H new ATOM 998 N THR A 69 9.442 5.344 -2.639 1.00 0.00 N ATOM 999 CA THR A 69 9.405 4.295 -1.633 1.00 0.00 C ATOM 1000 C THR A 69 9.014 2.961 -2.269 1.00 0.00 C ATOM 1001 O THR A 69 7.915 2.821 -2.804 1.00 0.00 O ATOM 1002 CB THR A 69 8.453 4.742 -0.521 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.282 5.491 0.365 1.00 0.00 O ATOM 1004 CG2 THR A 69 7.960 3.570 0.331 1.00 0.00 C ATOM 0 H THR A 69 9.059 5.078 -3.546 1.00 0.00 H new ATOM 0 HA THR A 69 10.389 4.132 -1.193 1.00 0.00 H new ATOM 0 HB THR A 69 7.599 5.258 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.448 6.379 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.288 3.940 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.428 2.859 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.812 3.075 0.797 1.00 0.00 H new ATOM 1012 N GLN A 70 9.935 2.012 -2.188 1.00 0.00 N ATOM 1013 CA GLN A 70 9.700 0.690 -2.748 1.00 0.00 C ATOM 1014 C GLN A 70 9.280 -0.286 -1.648 1.00 0.00 C ATOM 1015 O GLN A 70 10.025 -0.511 -0.695 1.00 0.00 O ATOM 1016 CB GLN A 70 10.937 0.182 -3.490 1.00 0.00 C ATOM 1017 CG GLN A 70 10.541 -0.706 -4.672 1.00 0.00 C ATOM 1018 CD GLN A 70 11.298 -0.303 -5.939 1.00 0.00 C ATOM 1019 OE1 GLN A 70 10.871 0.545 -6.704 1.00 0.00 O ATOM 1020 NE2 GLN A 70 12.444 -0.956 -6.115 1.00 0.00 N ATOM 0 H GLN A 70 10.845 2.131 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 70 8.887 0.762 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.524 1.028 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.571 -0.380 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.752 -1.749 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.468 -0.629 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.742 -1.655 -5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.024 -0.758 -6.930 1.00 0.00 H new ATOM 1029 N SER A 71 8.090 -0.843 -1.816 1.00 0.00 N ATOM 1030 CA SER A 71 7.562 -1.789 -0.849 1.00 0.00 C ATOM 1031 C SER A 71 7.543 -3.195 -1.451 1.00 0.00 C ATOM 1032 O SER A 71 7.323 -3.359 -2.650 1.00 0.00 O ATOM 1033 CB SER A 71 6.158 -1.389 -0.393 1.00 0.00 C ATOM 1034 OG SER A 71 6.037 0.019 -0.213 1.00 0.00 O ATOM 0 H SER A 71 7.476 -0.657 -2.609 1.00 0.00 H new ATOM 0 HA SER A 71 8.213 -1.782 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.428 -1.724 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.922 -1.896 0.543 1.00 0.00 H new ATOM 0 HG SER A 71 5.126 0.235 0.077 1.00 0.00 H new ATOM 1040 N GLU A 72 7.777 -4.176 -0.592 1.00 0.00 N ATOM 1041 CA GLU A 72 7.791 -5.563 -1.023 1.00 0.00 C ATOM 1042 C GLU A 72 7.045 -6.440 -0.015 1.00 0.00 C ATOM 1043 O GLU A 72 6.842 -6.041 1.130 1.00 0.00 O ATOM 1044 CB GLU A 72 9.222 -6.060 -1.228 1.00 0.00 C ATOM 1045 CG GLU A 72 9.267 -7.587 -1.317 1.00 0.00 C ATOM 1046 CD GLU A 72 10.687 -8.080 -1.601 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.353 -8.605 -0.695 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.094 -7.903 -2.810 1.00 0.00 O ATOM 0 H GLU A 72 7.959 -4.037 0.402 1.00 0.00 H new ATOM 0 HA GLU A 72 7.278 -5.629 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.634 -5.627 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.849 -5.722 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.908 -8.020 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.596 -7.928 -2.105 1.00 0.00 H new ATOM 1056 N LEU A 73 6.655 -7.619 -0.480 1.00 0.00 N ATOM 1057 CA LEU A 73 5.936 -8.556 0.366 1.00 0.00 C ATOM 1058 C LEU A 73 6.463 -9.969 0.117 1.00 0.00 C ATOM 1059 O LEU A 73 6.746 -10.339 -1.020 1.00 0.00 O ATOM 1060 CB LEU A 73 4.426 -8.417 0.156 1.00 0.00 C ATOM 1061 CG LEU A 73 3.547 -9.385 0.950 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.082 -9.575 2.369 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.086 -8.932 0.943 1.00 0.00 C ATOM 0 H LEU A 73 6.824 -7.946 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 73 6.111 -8.331 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.136 -7.399 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.213 -8.550 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 73 3.584 -10.358 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.438 -10.268 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.094 -9.978 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.096 -8.615 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.483 -9.638 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.010 -7.942 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.722 -8.893 -0.084 1.00 0.00 H new ATOM 1075 N THR A 74 6.580 -10.723 1.201 1.00 0.00 N ATOM 1076 CA THR A 74 7.068 -12.087 1.117 1.00 0.00 C ATOM 1077 C THR A 74 6.226 -13.012 1.997 1.00 0.00 C ATOM 1078 O THR A 74 6.211 -12.868 3.218 1.00 0.00 O ATOM 1079 CB THR A 74 8.552 -12.082 1.487 1.00 0.00 C ATOM 1080 OG1 THR A 74 8.828 -10.720 1.798 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.457 -12.383 0.289 1.00 0.00 C ATOM 0 H THR A 74 6.344 -10.413 2.144 1.00 0.00 H new ATOM 0 HA THR A 74 6.971 -12.479 0.104 1.00 0.00 H new ATOM 0 HB THR A 74 8.732 -12.818 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.770 -10.627 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.499 -12.367 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.215 -13.367 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.302 -11.629 -0.483 1.00 0.00 H new ATOM 1089 N LEU A 75 5.544 -13.942 1.343 1.00 0.00 N ATOM 1090 CA LEU A 75 4.701 -14.888 2.052 1.00 0.00 C ATOM 1091 C LEU A 75 4.812 -16.262 1.386 1.00 0.00 C ATOM 1092 O LEU A 75 5.168 -16.359 0.212 1.00 0.00 O ATOM 1093 CB LEU A 75 3.267 -14.365 2.144 1.00 0.00 C ATOM 1094 CG LEU A 75 2.309 -14.836 1.047 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.693 -16.191 1.401 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.241 -13.778 0.760 1.00 0.00 C ATOM 0 H LEU A 75 5.559 -14.060 0.330 1.00 0.00 H new ATOM 0 HA LEU A 75 5.041 -15.003 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.855 -14.659 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.297 -13.276 2.129 1.00 0.00 H new ATOM 0 HG LEU A 75 2.881 -14.973 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.017 -16.502 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.484 -16.932 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.139 -16.106 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.574 -14.138 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.667 -13.586 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.721 -12.856 0.432 1.00 0.00 H new ATOM 1108 N SER A 76 4.504 -17.287 2.163 1.00 0.00 N ATOM 1109 CA SER A 76 4.564 -18.651 1.664 1.00 0.00 C ATOM 1110 C SER A 76 3.244 -19.020 0.986 1.00 0.00 C ATOM 1111 O SER A 76 2.170 -18.703 1.496 1.00 0.00 O ATOM 1112 CB SER A 76 4.876 -19.638 2.791 1.00 0.00 C ATOM 1113 OG SER A 76 4.977 -20.977 2.315 1.00 0.00 O ATOM 0 H SER A 76 4.211 -17.202 3.136 1.00 0.00 H new ATOM 0 HA SER A 76 5.370 -18.711 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.811 -19.353 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.095 -19.581 3.550 1.00 0.00 H new ATOM 0 HG SER A 76 5.179 -21.576 3.064 1.00 0.00 H new ATOM 1119 N GLN A 77 3.365 -19.685 -0.154 1.00 0.00 N ATOM 1120 CA GLN A 77 2.194 -20.101 -0.906 1.00 0.00 C ATOM 1121 C GLN A 77 1.235 -20.882 -0.006 1.00 0.00 C ATOM 1122 O GLN A 77 0.018 -20.812 -0.181 1.00 0.00 O ATOM 1123 CB GLN A 77 2.594 -20.926 -2.130 1.00 0.00 C ATOM 1124 CG GLN A 77 1.738 -20.558 -3.344 1.00 0.00 C ATOM 1125 CD GLN A 77 0.519 -21.475 -3.455 1.00 0.00 C ATOM 1126 OE1 GLN A 77 0.583 -22.668 -3.206 1.00 0.00 O ATOM 1127 NE2 GLN A 77 -0.592 -20.853 -3.841 1.00 0.00 N ATOM 0 H GLN A 77 4.257 -19.946 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 77 1.679 -19.209 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.646 -20.757 -2.358 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.482 -21.988 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.411 -19.521 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.337 -20.632 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.575 -19.851 -4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.461 -21.378 -3.945 1.00 0.00 H new ATOM 1136 N LYS A 78 1.817 -21.608 0.935 1.00 0.00 N ATOM 1137 CA LYS A 78 1.029 -22.402 1.864 1.00 0.00 C ATOM 1138 C LYS A 78 -0.017 -21.508 2.533 1.00 0.00 C ATOM 1139 O LYS A 78 -1.204 -21.829 2.535 1.00 0.00 O ATOM 1140 CB LYS A 78 1.939 -23.130 2.854 1.00 0.00 C ATOM 1141 CG LYS A 78 2.225 -24.560 2.386 1.00 0.00 C ATOM 1142 CD LYS A 78 3.725 -24.861 2.431 1.00 0.00 C ATOM 1143 CE LYS A 78 3.995 -26.204 3.114 1.00 0.00 C ATOM 1144 NZ LYS A 78 4.100 -26.028 4.579 1.00 0.00 N ATOM 0 H LYS A 78 2.826 -21.664 1.075 1.00 0.00 H new ATOM 0 HA LYS A 78 0.487 -23.184 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.876 -22.584 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.469 -23.152 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.689 -25.268 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.853 -24.695 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.127 -24.877 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.243 -24.066 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.192 -26.904 2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.917 -26.637 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.283 -26.949 5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.881 -25.376 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.210 -25.635 4.946 1.00 0.00 H new ATOM 1158 N HIS A 79 0.464 -20.402 3.086 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.415 -19.459 3.757 1.00 0.00 C ATOM 1160 C HIS A 79 -1.484 -18.968 2.777 1.00 0.00 C ATOM 1161 O HIS A 79 -2.634 -18.761 3.162 1.00 0.00 O ATOM 1162 CB HIS A 79 0.390 -18.318 4.380 1.00 0.00 C ATOM 1163 CG HIS A 79 0.863 -18.595 5.787 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.511 -19.765 6.142 1.00 0.00 N ATOM 1165 CD2 HIS A 79 0.775 -17.842 6.922 1.00 0.00 C ATOM 1166 CE1 HIS A 79 1.795 -19.709 7.435 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.338 -18.517 7.917 1.00 0.00 N ATOM 0 H HIS A 79 1.450 -20.139 3.083 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.929 -19.955 4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.256 -18.113 3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.222 -17.416 4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.324 -16.864 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.300 -20.473 8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.416 -18.197 8.882 1.00 0.00 H new ATOM 1175 N TRP A 80 -1.065 -18.793 1.534 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.971 -18.330 0.498 1.00 0.00 C ATOM 1177 C TRP A 80 -3.115 -19.340 0.381 1.00 0.00 C ATOM 1178 O TRP A 80 -4.281 -18.957 0.298 1.00 0.00 O ATOM 1179 CB TRP A 80 -1.230 -18.112 -0.823 1.00 0.00 C ATOM 1180 CG TRP A 80 -2.102 -17.535 -1.939 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.927 -18.192 -2.765 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -2.203 -16.148 -2.321 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -3.551 -17.334 -3.648 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -3.096 -16.050 -3.369 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -1.562 -15.011 -1.800 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -3.428 -14.837 -3.985 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.904 -13.806 -2.426 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.801 -13.692 -3.480 1.00 0.00 C ATOM 0 H TRP A 80 -0.110 -18.964 1.220 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.390 -17.359 0.761 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.389 -17.440 -0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.815 -19.063 -1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.084 -19.260 -2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -4.222 -17.594 -4.371 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.860 -15.063 -0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.129 -14.788 -4.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.437 -12.902 -2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.014 -12.724 -3.908 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.740 -20.612 0.379 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.720 -21.679 0.275 1.00 0.00 C ATOM 1201 C LEU A 81 -4.530 -21.750 1.570 1.00 0.00 C ATOM 1202 O LEU A 81 -5.706 -22.111 1.551 1.00 0.00 O ATOM 1203 CB LEU A 81 -3.036 -22.998 -0.095 1.00 0.00 C ATOM 1204 CG LEU A 81 -3.819 -23.919 -1.032 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -2.876 -24.815 -1.836 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -4.861 -24.731 -0.260 1.00 0.00 C ATOM 0 H LEU A 81 -1.772 -20.926 0.448 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.424 -21.473 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.077 -22.769 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.822 -23.544 0.824 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.359 -23.298 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.459 -25.459 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.207 -24.196 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.288 -25.429 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.403 -25.377 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.362 -25.342 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.561 -24.053 0.229 1.00 0.00 H new ATOM 1218 N SER A 82 -3.872 -21.398 2.665 1.00 0.00 N ATOM 1219 CA SER A 82 -4.517 -21.416 3.966 1.00 0.00 C ATOM 1220 C SER A 82 -5.407 -20.182 4.126 1.00 0.00 C ATOM 1221 O SER A 82 -5.911 -19.913 5.214 1.00 0.00 O ATOM 1222 CB SER A 82 -3.483 -21.475 5.093 1.00 0.00 C ATOM 1223 OG SER A 82 -4.096 -21.483 6.380 1.00 0.00 O ATOM 0 H SER A 82 -2.897 -21.098 2.677 1.00 0.00 H new ATOM 0 HA SER A 82 -5.135 -22.312 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.871 -22.370 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.813 -20.619 5.016 1.00 0.00 H new ATOM 0 HG SER A 82 -4.927 -20.964 6.350 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.573 -19.464 3.024 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.394 -18.265 3.029 1.00 0.00 C ATOM 1231 C ASP A 83 -5.704 -17.185 3.865 1.00 0.00 C ATOM 1232 O ASP A 83 -5.023 -17.491 4.843 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.764 -18.538 3.647 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.362 -17.372 4.437 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.819 -17.540 5.578 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.348 -16.235 3.827 1.00 0.00 O ATOM 0 H ASP A 83 -5.153 -19.690 2.122 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.524 -17.940 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.457 -18.811 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.682 -19.401 4.308 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.905 -15.943 3.451 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.311 -14.814 4.149 1.00 0.00 C ATOM 1244 C ARG A 84 -5.668 -13.506 3.441 1.00 0.00 C ATOM 1245 O ARG A 84 -6.298 -13.518 2.385 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.790 -14.951 4.222 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.330 -15.210 5.658 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.014 -15.989 5.681 1.00 0.00 C ATOM 1249 NE ARG A 84 -2.286 -17.436 5.835 1.00 0.00 N ATOM 1250 CZ ARG A 84 -2.787 -17.999 6.955 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -3.075 -17.237 8.034 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -2.990 -19.302 6.982 1.00 0.00 N ATOM 0 H ARG A 84 -6.471 -15.693 2.640 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.711 -14.802 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.464 -15.769 3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.321 -14.042 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.204 -14.261 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.097 -15.769 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.460 -15.811 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.388 -15.639 6.502 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.082 -18.047 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.914 -16.230 8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.453 -17.669 8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.769 -19.870 6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.368 -19.742 7.821 1.00 0.00 H new ATOM 1266 N THR A 85 -5.245 -12.408 4.051 1.00 0.00 N ATOM 1267 CA THR A 85 -5.510 -11.092 3.493 1.00 0.00 C ATOM 1268 C THR A 85 -4.264 -10.210 3.589 1.00 0.00 C ATOM 1269 O THR A 85 -3.951 -9.688 4.657 1.00 0.00 O ATOM 1270 CB THR A 85 -6.727 -10.508 4.214 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.821 -10.818 3.357 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.704 -8.979 4.253 1.00 0.00 C ATOM 0 H THR A 85 -4.721 -12.403 4.926 1.00 0.00 H new ATOM 0 HA THR A 85 -5.744 -11.153 2.430 1.00 0.00 H new ATOM 0 HB THR A 85 -6.768 -10.897 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.651 -10.477 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.589 -8.615 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.809 -8.642 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.697 -8.589 3.235 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.586 -10.072 2.460 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.381 -9.262 2.404 1.00 0.00 C ATOM 1282 C TYR A 86 -2.628 -7.965 1.632 1.00 0.00 C ATOM 1283 O TYR A 86 -3.055 -7.994 0.481 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.345 -10.100 1.651 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.871 -11.451 1.166 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.682 -11.518 0.054 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.534 -12.607 1.843 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.177 -12.791 -0.404 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -2.027 -13.879 1.387 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.825 -13.909 0.286 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.292 -15.112 -0.144 1.00 0.00 O ATOM 0 H TYR A 86 -3.848 -10.508 1.576 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.052 -8.993 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.988 -9.531 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.487 -10.268 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.947 -10.615 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.900 -12.556 2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.813 -12.856 -1.275 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.769 -14.790 1.907 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.582 -15.585 -0.626 1.00 0.00 H new ATOM 1301 N THR A 87 -2.347 -6.854 2.300 1.00 0.00 N ATOM 1302 CA THR A 87 -2.533 -5.549 1.692 1.00 0.00 C ATOM 1303 C THR A 87 -1.442 -4.582 2.159 1.00 0.00 C ATOM 1304 O THR A 87 -1.168 -4.481 3.354 1.00 0.00 O ATOM 1305 CB THR A 87 -3.949 -5.071 2.020 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.787 -6.125 1.553 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.368 -3.861 1.183 1.00 0.00 C ATOM 0 H THR A 87 -1.992 -6.833 3.256 1.00 0.00 H new ATOM 0 HA THR A 87 -2.435 -5.601 0.608 1.00 0.00 H new ATOM 0 HB THR A 87 -4.011 -4.817 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.725 -5.899 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.380 -3.563 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.683 -3.034 1.371 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.339 -4.123 0.125 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.850 -3.896 1.193 1.00 0.00 N ATOM 1316 CA CYS A 88 0.204 -2.940 1.490 1.00 0.00 C ATOM 1317 C CYS A 88 -0.439 -1.575 1.739 1.00 0.00 C ATOM 1318 O CYS A 88 -0.791 -0.871 0.792 1.00 0.00 O ATOM 1319 CB CYS A 88 1.248 -2.885 0.374 1.00 0.00 C ATOM 1320 SG CYS A 88 0.729 -1.961 -1.118 1.00 0.00 S ATOM 0 H CYS A 88 -1.080 -3.983 0.203 1.00 0.00 H new ATOM 0 HA CYS A 88 0.741 -3.254 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.157 -2.430 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.502 -3.904 0.083 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.576 -1.244 3.013 1.00 0.00 N ATOM 1326 CA GLN A 89 -1.171 0.024 3.397 1.00 0.00 C ATOM 1327 C GLN A 89 -0.089 1.094 3.553 1.00 0.00 C ATOM 1328 O GLN A 89 0.697 1.052 4.497 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.989 -0.119 4.682 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.513 1.238 5.154 1.00 0.00 C ATOM 1331 CD GLN A 89 -3.586 1.068 6.231 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -4.675 0.576 5.985 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.220 1.501 7.434 1.00 0.00 N ATOM 0 H GLN A 89 -0.285 -1.832 3.794 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.852 0.336 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.826 -0.796 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.372 -0.566 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.689 1.833 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.926 1.787 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.292 1.903 7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.867 1.431 8.220 1.00 0.00 H new ATOM 1342 N VAL A 90 -0.083 2.027 2.611 1.00 0.00 N ATOM 1343 CA VAL A 90 0.890 3.106 2.633 1.00 0.00 C ATOM 1344 C VAL A 90 0.232 4.371 3.186 1.00 0.00 C ATOM 1345 O VAL A 90 -0.795 4.815 2.673 1.00 0.00 O ATOM 1346 CB VAL A 90 1.485 3.301 1.237 1.00 0.00 C ATOM 1347 CG1 VAL A 90 1.993 4.733 1.053 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.597 2.286 0.968 1.00 0.00 C ATOM 0 H VAL A 90 -0.736 2.058 1.828 1.00 0.00 H new ATOM 0 HA VAL A 90 1.720 2.858 3.294 1.00 0.00 H new ATOM 0 HB VAL A 90 0.693 3.130 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.411 4.845 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.166 5.432 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.764 4.944 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.003 2.447 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.390 2.411 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.192 1.276 1.037 1.00 0.00 H new ATOM 1358 N THR A 91 0.848 4.916 4.224 1.00 0.00 N ATOM 1359 CA THR A 91 0.335 6.121 4.851 1.00 0.00 C ATOM 1360 C THR A 91 1.196 7.327 4.473 1.00 0.00 C ATOM 1361 O THR A 91 2.301 7.169 3.959 1.00 0.00 O ATOM 1362 CB THR A 91 0.264 5.875 6.360 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.869 5.024 6.520 1.00 0.00 O ATOM 1364 CG2 THR A 91 -0.106 7.138 7.142 1.00 0.00 C ATOM 0 H THR A 91 1.699 4.545 4.647 1.00 0.00 H new ATOM 0 HA THR A 91 -0.669 6.354 4.497 1.00 0.00 H new ATOM 0 HB THR A 91 1.224 5.498 6.712 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.988 4.813 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.143 6.909 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.643 7.910 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.082 7.496 6.814 1.00 0.00 H new ATOM 1372 N TYR A 92 0.655 8.508 4.742 1.00 0.00 N ATOM 1373 CA TYR A 92 1.360 9.742 4.434 1.00 0.00 C ATOM 1374 C TYR A 92 1.160 10.776 5.544 1.00 0.00 C ATOM 1375 O TYR A 92 0.182 10.712 6.288 1.00 0.00 O ATOM 1376 CB TYR A 92 0.738 10.270 3.140 1.00 0.00 C ATOM 1377 CG TYR A 92 0.844 9.306 1.958 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.211 8.080 2.009 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.574 9.660 0.842 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.309 7.171 0.897 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.674 8.750 -0.272 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.036 7.553 -0.188 1.00 0.00 C ATOM 1383 OH TYR A 92 1.131 6.694 -1.239 1.00 0.00 O ATOM 0 H TYR A 92 -0.262 8.636 5.169 1.00 0.00 H new ATOM 0 HA TYR A 92 2.431 9.561 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.314 10.493 3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.222 11.209 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.358 7.803 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.070 10.618 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.182 6.210 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.242 9.013 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 92 0.258 6.617 -1.678 1.00 0.00 H new ATOM 1393 N GLN A 93 2.102 11.704 5.617 1.00 0.00 N ATOM 1394 CA GLN A 93 2.042 12.751 6.624 1.00 0.00 C ATOM 1395 C GLN A 93 0.666 13.420 6.614 1.00 0.00 C ATOM 1396 O GLN A 93 0.265 14.039 7.597 1.00 0.00 O ATOM 1397 CB GLN A 93 3.153 13.782 6.408 1.00 0.00 C ATOM 1398 CG GLN A 93 3.394 14.025 4.918 1.00 0.00 C ATOM 1399 CD GLN A 93 3.995 15.413 4.679 1.00 0.00 C ATOM 1400 OE1 GLN A 93 4.482 16.070 5.583 1.00 0.00 O ATOM 1401 NE2 GLN A 93 3.930 15.819 3.414 1.00 0.00 N ATOM 0 H GLN A 93 2.910 11.753 4.997 1.00 0.00 H new ATOM 0 HA GLN A 93 2.196 12.296 7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.883 14.720 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.073 13.434 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.065 13.261 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.454 13.933 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.508 15.218 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.302 16.732 3.152 1.00 0.00 H new ATOM 1410 N GLY A 94 -0.021 13.271 5.490 1.00 0.00 N ATOM 1411 CA GLY A 94 -1.344 13.853 5.339 1.00 0.00 C ATOM 1412 C GLY A 94 -2.145 13.118 4.260 1.00 0.00 C ATOM 1413 O GLY A 94 -2.934 13.730 3.544 1.00 0.00 O ATOM 0 H GLY A 94 0.314 12.756 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.877 13.806 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.254 14.907 5.076 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.913 11.816 4.181 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.604 10.992 3.203 1.00 0.00 C ATOM 1419 C HIS A 95 -2.503 9.519 3.610 1.00 0.00 C ATOM 1420 O HIS A 95 -1.874 9.191 4.615 1.00 0.00 O ATOM 1421 CB HIS A 95 -2.069 11.256 1.795 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.120 11.176 0.713 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -4.065 12.166 0.514 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.361 10.217 -0.225 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.837 11.807 -0.501 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.401 10.599 -0.957 1.00 0.00 N ATOM 0 H HIS A 95 -1.257 11.312 4.777 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.661 11.256 3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.612 12.245 1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.281 10.535 1.576 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.801 9.302 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.667 12.373 -0.898 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.807 10.075 -1.732 1.00 0.00 H new ATOM 1434 N THR A 96 -3.131 8.673 2.807 1.00 0.00 N ATOM 1435 CA THR A 96 -3.119 7.244 3.070 1.00 0.00 C ATOM 1436 C THR A 96 -3.462 6.465 1.799 1.00 0.00 C ATOM 1437 O THR A 96 -3.942 7.042 0.823 1.00 0.00 O ATOM 1438 CB THR A 96 -4.081 6.969 4.229 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.711 5.670 4.684 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.528 6.803 3.762 1.00 0.00 C ATOM 0 H THR A 96 -3.651 8.949 1.974 1.00 0.00 H new ATOM 0 HA THR A 96 -2.126 6.904 3.364 1.00 0.00 H new ATOM 0 HB THR A 96 -4.025 7.784 4.950 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.283 5.412 5.437 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.168 6.610 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.856 7.715 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.592 5.966 3.067 1.00 0.00 H new ATOM 1448 N PHE A 97 -3.202 5.167 1.851 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.476 4.303 0.714 1.00 0.00 C ATOM 1450 C PHE A 97 -3.434 2.831 1.124 1.00 0.00 C ATOM 1451 O PHE A 97 -2.858 2.484 2.155 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.382 4.565 -0.321 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.771 5.588 -1.392 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.787 5.315 -2.253 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -2.098 6.766 -1.482 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.147 6.263 -3.248 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -2.457 7.714 -2.476 1.00 0.00 C ATOM 1458 CZ PHE A 97 -3.474 7.443 -3.337 1.00 0.00 C ATOM 0 H PHE A 97 -2.805 4.692 2.662 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.469 4.513 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.486 4.914 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.124 3.625 -0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.320 4.378 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.291 6.980 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.954 6.048 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.923 8.650 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.748 8.165 -4.092 1.00 0.00 H new ATOM 1468 N GLU A 98 -4.050 2.000 0.295 1.00 0.00 N ATOM 1469 CA GLU A 98 -4.088 0.572 0.558 1.00 0.00 C ATOM 1470 C GLU A 98 -4.365 -0.199 -0.735 1.00 0.00 C ATOM 1471 O GLU A 98 -5.402 -0.006 -1.367 1.00 0.00 O ATOM 1472 CB GLU A 98 -5.130 0.240 1.628 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.480 -0.440 2.835 1.00 0.00 C ATOM 1474 CD GLU A 98 -5.508 -1.241 3.635 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -6.164 -0.688 4.530 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.615 -2.482 3.297 1.00 0.00 O ATOM 0 H GLU A 98 -4.527 2.289 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.114 0.266 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.632 1.153 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.894 -0.413 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.682 -1.101 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.021 0.312 3.477 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.419 -1.056 -1.090 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.548 -1.857 -2.296 1.00 0.00 C ATOM 1486 C ASP A 99 -2.780 -3.168 -2.116 1.00 0.00 C ATOM 1487 O ASP A 99 -1.600 -3.158 -1.766 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.961 -1.127 -3.506 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.763 0.088 -3.979 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -3.554 1.215 -3.506 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -4.646 -0.161 -4.885 1.00 0.00 O ATOM 0 H ASP A 99 -2.560 -1.213 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.608 -2.043 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.950 -0.803 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.878 -1.833 -4.332 1.00 0.00 H new ATOM 1497 N SER A 100 -3.480 -4.264 -2.367 1.00 0.00 N ATOM 1498 CA SER A 100 -2.880 -5.582 -2.237 1.00 0.00 C ATOM 1499 C SER A 100 -3.829 -6.645 -2.790 1.00 0.00 C ATOM 1500 O SER A 100 -4.618 -6.372 -3.693 1.00 0.00 O ATOM 1501 CB SER A 100 -2.531 -5.887 -0.780 1.00 0.00 C ATOM 1502 OG SER A 100 -1.471 -6.835 -0.671 1.00 0.00 O ATOM 0 H SER A 100 -4.457 -4.267 -2.660 1.00 0.00 H new ATOM 0 HA SER A 100 -1.955 -5.595 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.245 -4.964 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.414 -6.270 -0.268 1.00 0.00 H new ATOM 0 HG SER A 100 -1.835 -7.703 -0.398 1.00 0.00 H new ATOM 1508 N THR A 101 -3.723 -7.840 -2.224 1.00 0.00 N ATOM 1509 CA THR A 101 -4.562 -8.946 -2.648 1.00 0.00 C ATOM 1510 C THR A 101 -5.094 -9.709 -1.434 1.00 0.00 C ATOM 1511 O THR A 101 -4.732 -9.405 -0.298 1.00 0.00 O ATOM 1512 CB THR A 101 -3.746 -9.819 -3.603 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.653 -10.846 -3.996 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.618 -10.571 -2.892 1.00 0.00 C ATOM 0 H THR A 101 -3.068 -8.065 -1.475 1.00 0.00 H new ATOM 0 HA THR A 101 -5.444 -8.591 -3.181 1.00 0.00 H new ATOM 0 HB THR A 101 -3.326 -9.196 -4.393 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.264 -11.361 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.071 -11.175 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.939 -9.855 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.040 -11.219 -2.124 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.947 -10.683 -1.714 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.533 -11.493 -0.658 1.00 0.00 C ATOM 1524 C LYS A 102 -7.289 -12.667 -1.281 1.00 0.00 C ATOM 1525 O LYS A 102 -7.713 -12.595 -2.433 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.393 -10.626 0.263 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.626 -10.099 -0.472 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.069 -8.749 0.097 1.00 0.00 C ATOM 1529 CE LYS A 102 -10.588 -8.590 0.009 1.00 0.00 C ATOM 1530 NZ LYS A 102 -11.197 -8.672 1.355 1.00 0.00 N ATOM 0 H LYS A 102 -6.247 -10.930 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.754 -11.917 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.704 -11.208 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.803 -9.789 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.404 -9.995 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.440 -10.819 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.750 -8.666 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.583 -7.942 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.833 -7.632 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.004 -9.367 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.228 -8.562 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.978 -9.596 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.813 -7.915 1.956 1.00 0.00 H new