USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 669 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ 141:sc= 1.3 (180deg=0) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -6.53! C(o=-5.2!,f=-12!) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0492) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 29 MET CE :methyl 145:sc= -2.66 (180deg=-6.02!) USER MOD Single : A 30 SER OG : rot 60:sc= 0.331 USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0106 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.238 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -42:sc= 1.17 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 18:sc= -1.24 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -151:sc= -0.352 (180deg=-1.67!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 13.439 17.176 -2.639 1.00 0.00 N ATOM 86 CA GLY A 9 12.334 17.035 -3.569 1.00 0.00 C ATOM 87 C GLY A 9 10.988 17.269 -2.910 1.00 0.00 C ATOM 88 O GLY A 9 10.920 17.658 -1.745 1.00 0.00 O ATOM 0 HA2 GLY A 9 12.461 17.741 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.354 16.035 -4.003 1.00 0.00 H new ATOM 92 N ASP A 10 9.917 17.032 -3.659 1.00 0.00 N ATOM 93 CA ASP A 10 8.566 17.221 -3.141 1.00 0.00 C ATOM 94 C ASP A 10 7.698 16.001 -3.432 1.00 0.00 C ATOM 95 O ASP A 10 7.089 15.900 -4.497 1.00 0.00 O ATOM 96 CB ASP A 10 7.932 18.471 -3.752 1.00 0.00 C ATOM 97 CG ASP A 10 8.741 19.723 -3.478 1.00 0.00 C ATOM 98 OD1 ASP A 10 8.507 20.363 -2.432 1.00 0.00 O ATOM 99 OD2 ASP A 10 9.608 20.065 -4.310 1.00 0.00 O ATOM 0 H ASP A 10 9.957 16.709 -4.626 1.00 0.00 H new ATOM 0 HA ASP A 10 8.632 17.349 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.832 18.335 -4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.926 18.597 -3.352 1.00 0.00 H new ATOM 104 N ALA A 11 7.647 15.076 -2.479 1.00 0.00 N ATOM 105 CA ALA A 11 6.852 13.863 -2.633 1.00 0.00 C ATOM 106 C ALA A 11 5.460 14.183 -3.166 1.00 0.00 C ATOM 107 O ALA A 11 4.922 13.454 -3.999 1.00 0.00 O ATOM 108 CB ALA A 11 6.755 13.125 -1.306 1.00 0.00 C ATOM 0 H ALA A 11 8.147 15.143 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 11 7.351 13.220 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.159 12.222 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.755 12.855 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.282 13.769 -0.565 1.00 0.00 H new ATOM 114 N ARG A 12 4.882 15.277 -2.681 1.00 0.00 N ATOM 115 CA ARG A 12 3.551 15.692 -3.108 1.00 0.00 C ATOM 116 C ARG A 12 3.514 15.932 -4.614 1.00 0.00 C ATOM 117 O ARG A 12 2.506 15.667 -5.270 1.00 0.00 O ATOM 118 CB ARG A 12 3.128 16.962 -2.368 1.00 0.00 C ATOM 119 CG ARG A 12 3.166 16.827 -0.854 1.00 0.00 C ATOM 120 CD ARG A 12 3.321 18.180 -0.178 1.00 0.00 C ATOM 121 NE ARG A 12 3.457 18.055 1.271 1.00 0.00 N ATOM 122 CZ ARG A 12 2.442 17.787 2.084 1.00 0.00 C ATOM 123 NH1 ARG A 12 1.222 17.616 1.593 1.00 0.00 N ATOM 124 NH2 ARG A 12 2.646 17.689 3.392 1.00 0.00 N ATOM 0 H ARG A 12 5.315 15.892 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 12 2.853 14.890 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.781 17.781 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.117 17.232 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.250 16.349 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.993 16.178 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.196 18.689 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.456 18.802 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 12 4.383 18.180 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.062 17.690 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.444 17.410 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.583 17.820 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.866 17.483 4.016 1.00 0.00 H new ATOM 138 N ARG A 13 4.618 16.435 -5.156 1.00 0.00 N ATOM 139 CA ARG A 13 4.711 16.712 -6.584 1.00 0.00 C ATOM 140 C ARG A 13 4.869 15.419 -7.380 1.00 0.00 C ATOM 141 O ARG A 13 4.412 15.320 -8.518 1.00 0.00 O ATOM 142 CB ARG A 13 5.889 17.645 -6.869 1.00 0.00 C ATOM 143 CG ARG A 13 5.593 19.107 -6.575 1.00 0.00 C ATOM 144 CD ARG A 13 4.612 19.689 -7.580 1.00 0.00 C ATOM 145 NE ARG A 13 3.800 20.755 -6.998 1.00 0.00 N ATOM 146 CZ ARG A 13 3.100 21.623 -7.720 1.00 0.00 C ATOM 147 NH1 ARG A 13 3.112 21.551 -9.044 1.00 0.00 N ATOM 148 NH2 ARG A 13 2.386 22.565 -7.118 1.00 0.00 N ATOM 0 H ARG A 13 5.461 16.659 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 13 3.787 17.199 -6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.744 17.329 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.176 17.545 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.184 19.202 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.521 19.679 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.160 20.078 -8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.960 18.898 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 13 3.769 20.837 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.660 20.828 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.574 22.219 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.374 22.623 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.849 23.231 -7.673 1.00 0.00 H new ATOM 162 N ALA A 14 5.518 14.432 -6.772 1.00 0.00 N ATOM 163 CA ALA A 14 5.735 13.145 -7.422 1.00 0.00 C ATOM 164 C ALA A 14 4.411 12.504 -7.825 1.00 0.00 C ATOM 165 O ALA A 14 3.374 12.758 -7.212 1.00 0.00 O ATOM 166 CB ALA A 14 6.516 12.215 -6.506 1.00 0.00 C ATOM 0 H ALA A 14 5.903 14.499 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 14 6.317 13.317 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.670 11.258 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.482 12.662 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.956 12.057 -5.584 1.00 0.00 H new ATOM 172 N LYS A 15 4.453 11.673 -8.861 1.00 0.00 N ATOM 173 CA LYS A 15 3.257 10.994 -9.346 1.00 0.00 C ATOM 174 C LYS A 15 3.485 9.489 -9.439 1.00 0.00 C ATOM 175 O LYS A 15 4.589 9.036 -9.743 1.00 0.00 O ATOM 176 CB LYS A 15 2.854 11.545 -10.716 1.00 0.00 C ATOM 177 CG LYS A 15 1.893 12.720 -10.640 1.00 0.00 C ATOM 178 CD LYS A 15 0.448 12.255 -10.577 1.00 0.00 C ATOM 179 CE LYS A 15 -0.121 12.014 -11.967 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.435 13.290 -12.667 1.00 0.00 N ATOM 0 H LYS A 15 5.303 11.453 -9.381 1.00 0.00 H new ATOM 0 HA LYS A 15 2.452 11.178 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.751 11.854 -11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.394 10.747 -11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.121 13.322 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.032 13.362 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.385 11.337 -9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.154 13.003 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.594 11.442 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.025 11.410 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.973 13.087 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.002 13.898 -12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.450 13.777 -12.915 1.00 0.00 H new ATOM 194 N VAL A 16 2.435 8.718 -9.177 1.00 0.00 N ATOM 195 CA VAL A 16 2.520 7.264 -9.233 1.00 0.00 C ATOM 196 C VAL A 16 1.337 6.672 -9.991 1.00 0.00 C ATOM 197 O VAL A 16 0.180 6.929 -9.654 1.00 0.00 O ATOM 198 CB VAL A 16 2.572 6.649 -7.822 1.00 0.00 C ATOM 199 CG1 VAL A 16 3.964 6.792 -7.227 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.529 7.295 -6.922 1.00 0.00 C ATOM 0 H VAL A 16 1.514 9.077 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 16 3.443 7.022 -9.760 1.00 0.00 H new ATOM 0 HB VAL A 16 2.345 5.586 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.981 6.352 -6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.686 6.279 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.225 7.848 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.579 6.849 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.723 8.365 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.536 7.134 -7.342 1.00 0.00 H new ATOM 210 N TYR A 17 1.633 5.879 -11.014 1.00 0.00 N ATOM 211 CA TYR A 17 0.593 5.252 -11.821 1.00 0.00 C ATOM 212 C TYR A 17 1.038 3.878 -12.311 1.00 0.00 C ATOM 213 O TYR A 17 2.216 3.656 -12.588 1.00 0.00 O ATOM 214 CB TYR A 17 0.239 6.141 -13.014 1.00 0.00 C ATOM 215 CG TYR A 17 1.431 6.851 -13.616 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.175 6.263 -14.632 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.813 8.110 -13.168 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.265 6.908 -15.183 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.901 8.762 -13.715 1.00 0.00 C ATOM 220 CZ TYR A 17 3.624 8.157 -14.722 1.00 0.00 C ATOM 221 OH TYR A 17 4.709 8.803 -15.270 1.00 0.00 O ATOM 0 H TYR A 17 2.585 5.655 -11.304 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.291 5.126 -11.195 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.236 5.531 -13.782 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.494 6.883 -12.698 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.896 5.285 -14.997 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.250 8.586 -12.379 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.833 6.436 -15.971 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.184 9.740 -13.356 1.00 0.00 H new ATOM 0 HH TYR A 17 4.688 9.750 -15.017 1.00 0.00 H new ATOM 231 N GLY A 18 0.085 2.957 -12.415 1.00 0.00 N ATOM 232 CA GLY A 18 0.396 1.615 -12.872 1.00 0.00 C ATOM 233 C GLY A 18 -0.733 0.637 -12.613 1.00 0.00 C ATOM 234 O GLY A 18 -1.905 1.012 -12.640 1.00 0.00 O ATOM 0 H GLY A 18 -0.897 3.116 -12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.613 1.640 -13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.298 1.264 -12.371 1.00 0.00 H new ATOM 238 N ARG A 19 -0.380 -0.620 -12.363 1.00 0.00 N ATOM 239 CA ARG A 19 -1.373 -1.654 -12.101 1.00 0.00 C ATOM 240 C ARG A 19 -1.143 -2.295 -10.736 1.00 0.00 C ATOM 241 O ARG A 19 -2.079 -2.780 -10.101 1.00 0.00 O ATOM 242 CB ARG A 19 -1.325 -2.725 -13.193 1.00 0.00 C ATOM 243 CG ARG A 19 -2.494 -3.695 -13.146 1.00 0.00 C ATOM 244 CD ARG A 19 -2.590 -4.514 -14.424 1.00 0.00 C ATOM 245 NE ARG A 19 -2.779 -3.670 -15.601 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.542 -4.077 -16.843 1.00 0.00 C ATOM 247 NH1 ARG A 19 -2.108 -5.309 -17.069 1.00 0.00 N ATOM 248 NH2 ARG A 19 -2.738 -3.251 -17.863 1.00 0.00 N ATOM 0 H ARG A 19 0.586 -0.946 -12.336 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.357 -1.186 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.307 -2.238 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.395 -3.285 -13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.380 -4.363 -12.292 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.421 -3.142 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.683 -5.106 -14.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.420 -5.216 -14.344 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.111 -2.716 -15.462 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.955 -5.947 -16.288 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.927 -5.619 -18.024 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.071 -2.302 -17.694 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.555 -3.565 -18.816 1.00 0.00 H new ATOM 262 N GLY A 20 0.109 -2.293 -10.290 1.00 0.00 N ATOM 263 CA GLY A 20 0.439 -2.878 -9.003 1.00 0.00 C ATOM 264 C GLY A 20 0.318 -1.882 -7.866 1.00 0.00 C ATOM 265 O GLY A 20 0.908 -2.069 -6.801 1.00 0.00 O ATOM 0 H GLY A 20 0.901 -1.897 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.220 -3.725 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.457 -3.267 -9.034 1.00 0.00 H new ATOM 269 N LEU A 21 -0.449 -0.821 -8.091 1.00 0.00 N ATOM 270 CA LEU A 21 -0.645 0.210 -7.077 1.00 0.00 C ATOM 271 C LEU A 21 -2.081 0.201 -6.563 1.00 0.00 C ATOM 272 O LEU A 21 -2.335 0.505 -5.398 1.00 0.00 O ATOM 273 CB LEU A 21 -0.304 1.587 -7.649 1.00 0.00 C ATOM 274 CG LEU A 21 1.126 1.766 -8.160 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.235 3.022 -9.011 1.00 0.00 C ATOM 276 CD2 LEU A 21 2.105 1.822 -6.997 1.00 0.00 C ATOM 0 H LEU A 21 -0.945 -0.652 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 21 0.022 -0.004 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.991 1.798 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.489 2.335 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 21 1.379 0.907 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.260 3.133 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.562 2.943 -9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.962 3.891 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.118 1.950 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.853 2.662 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.047 0.895 -6.427 1.00 0.00 H new ATOM 288 N SER A 22 -3.016 -0.151 -7.440 1.00 0.00 N ATOM 289 CA SER A 22 -4.427 -0.198 -7.075 1.00 0.00 C ATOM 290 C SER A 22 -4.886 -1.637 -6.864 1.00 0.00 C ATOM 291 O SER A 22 -5.294 -2.015 -5.766 1.00 0.00 O ATOM 292 CB SER A 22 -5.278 0.467 -8.159 1.00 0.00 C ATOM 293 OG SER A 22 -6.474 0.998 -7.614 1.00 0.00 O ATOM 0 H SER A 22 -2.822 -0.408 -8.408 1.00 0.00 H new ATOM 0 HA SER A 22 -4.553 0.346 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.707 1.263 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.519 -0.261 -8.934 1.00 0.00 H new ATOM 0 HG SER A 22 -6.999 1.419 -8.326 1.00 0.00 H new ATOM 299 N GLU A 23 -4.815 -2.436 -7.924 1.00 0.00 N ATOM 300 CA GLU A 23 -5.224 -3.834 -7.855 1.00 0.00 C ATOM 301 C GLU A 23 -4.038 -4.761 -8.103 1.00 0.00 C ATOM 302 O GLU A 23 -2.914 -4.306 -8.312 1.00 0.00 O ATOM 303 CB GLU A 23 -6.328 -4.117 -8.876 1.00 0.00 C ATOM 304 CG GLU A 23 -6.062 -3.511 -10.243 1.00 0.00 C ATOM 305 CD GLU A 23 -6.569 -2.086 -10.359 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.682 -1.811 -9.862 1.00 0.00 O ATOM 307 OE2 GLU A 23 -5.855 -1.247 -10.946 1.00 0.00 O ATOM 0 H GLU A 23 -4.478 -2.139 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.608 -4.024 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.445 -5.195 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.273 -3.730 -8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.990 -3.529 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.538 -4.125 -11.007 1.00 0.00 H new ATOM 314 N GLY A 24 -4.297 -6.065 -8.077 1.00 0.00 N ATOM 315 CA GLY A 24 -3.241 -7.036 -8.300 1.00 0.00 C ATOM 316 C GLY A 24 -3.757 -8.461 -8.310 1.00 0.00 C ATOM 317 O GLY A 24 -4.937 -8.703 -8.054 1.00 0.00 O ATOM 0 H GLY A 24 -5.219 -6.466 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.751 -6.824 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.485 -6.932 -7.521 1.00 0.00 H new ATOM 321 N ARG A 25 -2.873 -9.407 -8.610 1.00 0.00 N ATOM 322 CA ARG A 25 -3.246 -10.815 -8.656 1.00 0.00 C ATOM 323 C ARG A 25 -2.083 -11.701 -8.220 1.00 0.00 C ATOM 324 O ARG A 25 -0.918 -11.318 -8.338 1.00 0.00 O ATOM 325 CB ARG A 25 -3.693 -11.200 -10.068 1.00 0.00 C ATOM 326 CG ARG A 25 -5.183 -11.015 -10.307 1.00 0.00 C ATOM 327 CD ARG A 25 -5.694 -11.955 -11.387 1.00 0.00 C ATOM 328 NE ARG A 25 -7.067 -11.644 -11.779 1.00 0.00 N ATOM 329 CZ ARG A 25 -7.818 -12.446 -12.524 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.333 -13.602 -12.956 1.00 0.00 N ATOM 331 NH2 ARG A 25 -9.058 -12.093 -12.838 1.00 0.00 N ATOM 0 H ARG A 25 -1.893 -9.223 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.075 -10.968 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.140 -10.600 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.431 -12.242 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.727 -11.195 -9.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.381 -9.983 -10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.045 -11.891 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.644 -12.983 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.470 -10.762 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.381 -13.877 -12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.912 -14.216 -13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.435 -11.205 -12.507 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.634 -12.710 -13.410 1.00 0.00 H new ATOM 345 N THR A 26 -2.406 -12.887 -7.715 1.00 0.00 N ATOM 346 CA THR A 26 -1.389 -13.827 -7.259 1.00 0.00 C ATOM 347 C THR A 26 -0.677 -14.481 -8.438 1.00 0.00 C ATOM 348 O THR A 26 -1.296 -14.789 -9.457 1.00 0.00 O ATOM 349 CB THR A 26 -1.998 -14.925 -6.368 1.00 0.00 C ATOM 350 OG1 THR A 26 -3.242 -15.371 -6.921 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.221 -14.413 -4.953 1.00 0.00 C ATOM 0 H THR A 26 -3.365 -13.220 -7.611 1.00 0.00 H new ATOM 0 HA THR A 26 -0.668 -13.254 -6.675 1.00 0.00 H new ATOM 0 HB THR A 26 -1.298 -15.760 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.622 -16.070 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.652 -15.207 -4.343 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.268 -14.102 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.903 -13.563 -4.977 1.00 0.00 H new ATOM 359 N PHE A 27 0.627 -14.691 -8.293 1.00 0.00 N ATOM 360 CA PHE A 27 1.423 -15.309 -9.346 1.00 0.00 C ATOM 361 C PHE A 27 1.362 -14.485 -10.629 1.00 0.00 C ATOM 362 O PHE A 27 1.300 -15.033 -11.729 1.00 0.00 O ATOM 363 CB PHE A 27 0.933 -16.733 -9.618 1.00 0.00 C ATOM 364 CG PHE A 27 1.400 -17.732 -8.599 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.335 -17.443 -7.245 1.00 0.00 C ATOM 366 CD2 PHE A 27 1.904 -18.960 -8.994 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.764 -18.361 -6.305 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.334 -19.882 -8.058 1.00 0.00 C ATOM 369 CZ PHE A 27 2.265 -19.582 -6.712 1.00 0.00 C ATOM 0 H PHE A 27 1.155 -14.442 -7.456 1.00 0.00 H new ATOM 0 HA PHE A 27 2.458 -15.347 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.157 -16.735 -9.644 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.276 -17.045 -10.605 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.945 -16.490 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.962 -19.200 -10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.707 -18.124 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.724 -20.837 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.602 -20.300 -5.979 1.00 0.00 H new ATOM 379 N GLU A 28 1.379 -13.164 -10.478 1.00 0.00 N ATOM 380 CA GLU A 28 1.323 -12.264 -11.624 1.00 0.00 C ATOM 381 C GLU A 28 2.224 -11.051 -11.408 1.00 0.00 C ATOM 382 O GLU A 28 1.993 -10.246 -10.507 1.00 0.00 O ATOM 383 CB GLU A 28 -0.116 -11.806 -11.872 1.00 0.00 C ATOM 384 CG GLU A 28 -1.021 -12.905 -12.402 1.00 0.00 C ATOM 385 CD GLU A 28 -0.979 -13.018 -13.914 1.00 0.00 C ATOM 386 OE1 GLU A 28 -0.789 -11.979 -14.580 1.00 0.00 O ATOM 387 OE2 GLU A 28 -1.136 -14.144 -14.430 1.00 0.00 O ATOM 0 H GLU A 28 1.431 -12.694 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 28 1.679 -12.809 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.532 -11.422 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.108 -10.979 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.725 -13.857 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.046 -12.711 -12.084 1.00 0.00 H new ATOM 394 N MET A 29 3.252 -10.930 -12.241 1.00 0.00 N ATOM 395 CA MET A 29 4.188 -9.815 -12.141 1.00 0.00 C ATOM 396 C MET A 29 3.454 -8.481 -12.218 1.00 0.00 C ATOM 397 O MET A 29 2.945 -8.101 -13.273 1.00 0.00 O ATOM 398 CB MET A 29 5.235 -9.900 -13.254 1.00 0.00 C ATOM 399 CG MET A 29 6.570 -9.277 -12.881 1.00 0.00 C ATOM 400 SD MET A 29 7.613 -10.392 -11.920 1.00 0.00 S ATOM 401 CE MET A 29 8.058 -9.337 -10.543 1.00 0.00 C ATOM 0 H MET A 29 3.458 -11.589 -12.992 1.00 0.00 H new ATOM 0 HA MET A 29 4.689 -9.878 -11.175 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.392 -10.947 -13.515 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.848 -9.404 -14.144 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.097 -8.986 -13.790 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.394 -8.366 -12.308 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.130 -9.935 -9.635 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.019 -8.864 -10.743 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.296 -8.569 -10.412 1.00 0.00 H new ATOM 411 N SER A 30 3.403 -7.773 -11.095 1.00 0.00 N ATOM 412 CA SER A 30 2.728 -6.482 -11.034 1.00 0.00 C ATOM 413 C SER A 30 3.733 -5.351 -10.836 1.00 0.00 C ATOM 414 O SER A 30 4.365 -5.245 -9.785 1.00 0.00 O ATOM 415 CB SER A 30 1.702 -6.472 -9.899 1.00 0.00 C ATOM 416 OG SER A 30 0.756 -7.515 -10.058 1.00 0.00 O ATOM 0 H SER A 30 3.821 -8.072 -10.214 1.00 0.00 H new ATOM 0 HA SER A 30 2.213 -6.325 -11.982 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.212 -6.582 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.188 -5.511 -9.877 1.00 0.00 H new ATOM 0 HG SER A 30 1.218 -8.379 -10.056 1.00 0.00 H new ATOM 422 N ASP A 31 3.875 -4.509 -11.854 1.00 0.00 N ATOM 423 CA ASP A 31 4.802 -3.385 -11.793 1.00 0.00 C ATOM 424 C ASP A 31 4.062 -2.061 -11.947 1.00 0.00 C ATOM 425 O ASP A 31 2.853 -2.037 -12.180 1.00 0.00 O ATOM 426 CB ASP A 31 5.869 -3.517 -12.881 1.00 0.00 C ATOM 427 CG ASP A 31 5.313 -4.090 -14.170 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.183 -3.716 -14.547 1.00 0.00 O ATOM 429 OD2 ASP A 31 6.009 -4.911 -14.802 1.00 0.00 O ATOM 0 H ASP A 31 3.360 -4.584 -12.731 1.00 0.00 H new ATOM 0 HA ASP A 31 5.286 -3.398 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.304 -2.538 -13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.675 -4.156 -12.520 1.00 0.00 H new ATOM 434 N PHE A 32 4.794 -0.960 -11.814 1.00 0.00 N ATOM 435 CA PHE A 32 4.206 0.369 -11.935 1.00 0.00 C ATOM 436 C PHE A 32 5.285 1.421 -12.176 1.00 0.00 C ATOM 437 O PHE A 32 6.461 1.197 -11.886 1.00 0.00 O ATOM 438 CB PHE A 32 3.412 0.716 -10.675 1.00 0.00 C ATOM 439 CG PHE A 32 4.215 0.605 -9.410 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.319 -0.606 -8.745 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.865 1.711 -8.887 1.00 0.00 C ATOM 442 CE1 PHE A 32 5.058 -0.712 -7.581 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.605 1.611 -7.725 1.00 0.00 C ATOM 444 CZ PHE A 32 5.701 0.398 -7.070 1.00 0.00 C ATOM 0 H PHE A 32 5.796 -0.962 -11.622 1.00 0.00 H new ATOM 0 HA PHE A 32 3.531 0.363 -12.791 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.029 1.733 -10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.548 0.055 -10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.817 -1.477 -9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.792 2.662 -9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.132 -1.662 -7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.108 2.480 -7.329 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.278 0.318 -6.160 1.00 0.00 H new ATOM 454 N ILE A 33 4.877 2.567 -12.708 1.00 0.00 N ATOM 455 CA ILE A 33 5.807 3.654 -12.988 1.00 0.00 C ATOM 456 C ILE A 33 5.864 4.641 -11.827 1.00 0.00 C ATOM 457 O ILE A 33 4.883 4.826 -11.106 1.00 0.00 O ATOM 458 CB ILE A 33 5.420 4.411 -14.272 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.876 3.631 -15.507 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.025 5.807 -14.267 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.355 3.311 -15.507 1.00 0.00 C ATOM 0 H ILE A 33 3.908 2.768 -12.954 1.00 0.00 H new ATOM 0 HA ILE A 33 6.789 3.201 -13.126 1.00 0.00 H new ATOM 0 HB ILE A 33 4.335 4.507 -14.306 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.311 2.701 -15.568 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.637 4.208 -16.400 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.742 6.329 -15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.656 6.361 -13.404 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.111 5.733 -14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.607 2.757 -16.411 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.928 4.238 -15.477 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.597 2.707 -14.632 1.00 0.00 H new ATOM 473 N VAL A 34 7.019 5.275 -11.652 1.00 0.00 N ATOM 474 CA VAL A 34 7.204 6.247 -10.581 1.00 0.00 C ATOM 475 C VAL A 34 7.734 7.569 -11.123 1.00 0.00 C ATOM 476 O VAL A 34 8.889 7.662 -11.541 1.00 0.00 O ATOM 477 CB VAL A 34 8.174 5.719 -9.506 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.618 6.848 -8.589 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.526 4.597 -8.710 1.00 0.00 C ATOM 0 H VAL A 34 7.841 5.133 -12.239 1.00 0.00 H new ATOM 0 HA VAL A 34 6.226 6.410 -10.129 1.00 0.00 H new ATOM 0 HB VAL A 34 9.057 5.317 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.302 6.457 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.123 7.616 -9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.747 7.281 -8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.225 4.236 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.626 4.970 -8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.263 3.780 -9.381 1.00 0.00 H new ATOM 489 N ASP A 35 6.884 8.589 -11.114 1.00 0.00 N ATOM 490 CA ASP A 35 7.267 9.909 -11.603 1.00 0.00 C ATOM 491 C ASP A 35 7.873 10.749 -10.484 1.00 0.00 C ATOM 492 O ASP A 35 7.177 11.161 -9.555 1.00 0.00 O ATOM 493 CB ASP A 35 6.055 10.627 -12.198 1.00 0.00 C ATOM 494 CG ASP A 35 6.327 12.093 -12.471 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.303 12.392 -13.192 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.565 12.942 -11.964 1.00 0.00 O ATOM 0 H ASP A 35 5.924 8.528 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 35 8.019 9.777 -12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.765 10.135 -13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.212 10.538 -11.513 1.00 0.00 H new ATOM 501 N THR A 36 9.176 11.000 -10.577 1.00 0.00 N ATOM 502 CA THR A 36 9.876 11.788 -9.572 1.00 0.00 C ATOM 503 C THR A 36 10.744 12.860 -10.221 1.00 0.00 C ATOM 504 O THR A 36 11.588 13.470 -9.564 1.00 0.00 O ATOM 505 CB THR A 36 10.761 10.900 -8.677 1.00 0.00 C ATOM 506 OG1 THR A 36 11.438 9.922 -9.474 1.00 0.00 O ATOM 507 CG2 THR A 36 9.926 10.204 -7.612 1.00 0.00 C ATOM 0 H THR A 36 9.767 10.668 -11.339 1.00 0.00 H new ATOM 0 HA THR A 36 9.113 12.265 -8.957 1.00 0.00 H new ATOM 0 HB THR A 36 11.495 11.536 -8.183 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.298 9.700 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.572 9.582 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.435 10.951 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.173 9.579 -8.091 1.00 0.00 H new ATOM 515 N ARG A 37 10.532 13.084 -11.514 1.00 0.00 N ATOM 516 CA ARG A 37 11.297 14.083 -12.251 1.00 0.00 C ATOM 517 C ARG A 37 10.741 15.483 -12.006 1.00 0.00 C ATOM 518 O ARG A 37 11.496 16.447 -11.876 1.00 0.00 O ATOM 519 CB ARG A 37 11.275 13.769 -13.748 1.00 0.00 C ATOM 520 CG ARG A 37 11.981 12.472 -14.109 1.00 0.00 C ATOM 521 CD ARG A 37 11.384 11.841 -15.357 1.00 0.00 C ATOM 522 NE ARG A 37 11.119 12.831 -16.397 1.00 0.00 N ATOM 523 CZ ARG A 37 12.048 13.293 -17.226 1.00 0.00 C ATOM 524 NH1 ARG A 37 13.297 12.857 -17.137 1.00 0.00 N ATOM 525 NH2 ARG A 37 11.729 14.193 -18.147 1.00 0.00 N ATOM 0 H ARG A 37 9.838 12.588 -12.072 1.00 0.00 H new ATOM 0 HA ARG A 37 12.327 14.052 -11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.240 13.715 -14.084 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.743 14.591 -14.290 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.041 12.666 -14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.908 11.773 -13.276 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.067 11.084 -15.743 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.456 11.331 -15.097 1.00 0.00 H new ATOM 0 HE ARG A 37 10.168 13.187 -16.492 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.546 12.165 -16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.008 13.214 -17.775 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.769 14.531 -18.219 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.443 14.547 -18.783 1.00 0.00 H new ATOM 539 N ASP A 38 9.418 15.586 -11.946 1.00 0.00 N ATOM 540 CA ASP A 38 8.761 16.868 -11.716 1.00 0.00 C ATOM 541 C ASP A 38 8.736 17.207 -10.229 1.00 0.00 C ATOM 542 O ASP A 38 8.445 18.339 -9.845 1.00 0.00 O ATOM 543 CB ASP A 38 7.336 16.841 -12.269 1.00 0.00 C ATOM 544 CG ASP A 38 7.293 17.050 -13.770 1.00 0.00 C ATOM 545 OD1 ASP A 38 8.121 17.832 -14.284 1.00 0.00 O ATOM 546 OD2 ASP A 38 6.434 16.432 -14.431 1.00 0.00 O ATOM 0 H ASP A 38 8.779 14.798 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 38 9.330 17.638 -12.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.873 15.885 -12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.745 17.616 -11.780 1.00 0.00 H new ATOM 551 N ALA A 39 9.043 16.218 -9.396 1.00 0.00 N ATOM 552 CA ALA A 39 9.056 16.411 -7.952 1.00 0.00 C ATOM 553 C ALA A 39 10.283 17.206 -7.516 1.00 0.00 C ATOM 554 O ALA A 39 10.184 18.122 -6.701 1.00 0.00 O ATOM 555 CB ALA A 39 9.015 15.068 -7.239 1.00 0.00 C ATOM 0 H ALA A 39 9.286 15.274 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 39 8.169 16.982 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.025 15.228 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.106 14.535 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.885 14.477 -7.526 1.00 0.00 H new ATOM 561 N GLY A 40 11.440 16.847 -8.064 1.00 0.00 N ATOM 562 CA GLY A 40 12.670 17.537 -7.719 1.00 0.00 C ATOM 563 C GLY A 40 13.856 16.598 -7.634 1.00 0.00 C ATOM 564 O GLY A 40 14.332 16.093 -8.651 1.00 0.00 O ATOM 0 H GLY A 40 11.548 16.091 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.872 18.307 -8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.543 18.044 -6.763 1.00 0.00 H new ATOM 568 N TYR A 41 14.338 16.364 -6.418 1.00 0.00 N ATOM 569 CA TYR A 41 15.479 15.482 -6.204 1.00 0.00 C ATOM 570 C TYR A 41 15.296 14.650 -4.938 1.00 0.00 C ATOM 571 O TYR A 41 14.445 14.951 -4.102 1.00 0.00 O ATOM 572 CB TYR A 41 16.769 16.298 -6.109 1.00 0.00 C ATOM 573 CG TYR A 41 18.020 15.483 -6.346 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.617 14.772 -5.312 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.605 15.423 -7.605 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.761 14.027 -5.525 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.748 14.679 -7.827 1.00 0.00 C ATOM 578 CZ TYR A 41 20.322 13.983 -6.784 1.00 0.00 C ATOM 579 OH TYR A 41 21.460 13.241 -7.000 1.00 0.00 O ATOM 0 H TYR A 41 13.956 16.773 -5.565 1.00 0.00 H new ATOM 0 HA TYR A 41 15.546 14.804 -7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.730 17.109 -6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.826 16.758 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.179 14.802 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.159 15.967 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.213 13.482 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.189 14.643 -8.812 1.00 0.00 H new ATOM 0 HH TYR A 41 21.725 13.315 -7.940 1.00 0.00 H new ATOM 589 N GLY A 42 16.102 13.601 -4.805 1.00 0.00 N ATOM 590 CA GLY A 42 16.014 12.741 -3.640 1.00 0.00 C ATOM 591 C GLY A 42 15.924 11.274 -4.008 1.00 0.00 C ATOM 592 O GLY A 42 15.720 10.929 -5.171 1.00 0.00 O ATOM 0 H GLY A 42 16.814 13.332 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.887 12.901 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.139 13.019 -3.052 1.00 0.00 H new ATOM 596 N GLY A 43 16.080 10.405 -3.013 1.00 0.00 N ATOM 597 CA GLY A 43 16.014 8.976 -3.259 1.00 0.00 C ATOM 598 C GLY A 43 14.642 8.401 -2.971 1.00 0.00 C ATOM 599 O GLY A 43 13.846 9.006 -2.252 1.00 0.00 O ATOM 0 H GLY A 43 16.251 10.665 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.277 8.777 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.754 8.469 -2.640 1.00 0.00 H new ATOM 603 N ILE A 44 14.362 7.231 -3.535 1.00 0.00 N ATOM 604 CA ILE A 44 13.076 6.575 -3.336 1.00 0.00 C ATOM 605 C ILE A 44 13.228 5.309 -2.499 1.00 0.00 C ATOM 606 O ILE A 44 14.123 4.499 -2.738 1.00 0.00 O ATOM 607 CB ILE A 44 12.414 6.213 -4.679 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.222 7.468 -5.532 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.082 5.518 -4.442 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.108 7.180 -7.013 1.00 0.00 C ATOM 0 H ILE A 44 15.009 6.718 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 44 12.439 7.284 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 44 13.069 5.527 -5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.323 7.989 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.061 8.143 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.626 5.268 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.245 4.605 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.419 6.182 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.974 8.115 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.016 6.687 -7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.252 6.530 -7.192 1.00 0.00 H new ATOM 622 N SER A 45 12.346 5.145 -1.519 1.00 0.00 N ATOM 623 CA SER A 45 12.383 3.978 -0.645 1.00 0.00 C ATOM 624 C SER A 45 11.131 3.125 -0.824 1.00 0.00 C ATOM 625 O SER A 45 10.028 3.536 -0.459 1.00 0.00 O ATOM 626 CB SER A 45 12.513 4.413 0.816 1.00 0.00 C ATOM 627 OG SER A 45 13.843 4.798 1.118 1.00 0.00 O ATOM 0 H SER A 45 11.597 5.805 -1.310 1.00 0.00 H new ATOM 0 HA SER A 45 13.252 3.378 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.837 5.245 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.210 3.595 1.470 1.00 0.00 H new ATOM 0 HG SER A 45 13.899 5.073 2.057 1.00 0.00 H new ATOM 633 N LEU A 46 11.309 1.936 -1.388 1.00 0.00 N ATOM 634 CA LEU A 46 10.194 1.023 -1.616 1.00 0.00 C ATOM 635 C LEU A 46 10.221 -0.130 -0.618 1.00 0.00 C ATOM 636 O LEU A 46 11.278 -0.691 -0.331 1.00 0.00 O ATOM 637 CB LEU A 46 10.241 0.477 -3.044 1.00 0.00 C ATOM 638 CG LEU A 46 10.400 1.515 -4.155 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.052 0.892 -5.380 1.00 0.00 C ATOM 640 CD2 LEU A 46 9.051 2.120 -4.517 1.00 0.00 C ATOM 0 H LEU A 46 12.214 1.581 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 46 9.267 1.579 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.068 -0.230 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.325 -0.084 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 46 11.048 2.312 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.157 1.646 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.036 0.508 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.431 0.075 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.183 2.857 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.380 1.333 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.622 2.604 -3.640 1.00 0.00 H new ATOM 652 N ALA A 47 9.051 -0.478 -0.093 1.00 0.00 N ATOM 653 CA ALA A 47 8.939 -1.567 0.870 1.00 0.00 C ATOM 654 C ALA A 47 7.508 -2.086 0.949 1.00 0.00 C ATOM 655 O ALA A 47 6.610 -1.391 1.425 1.00 0.00 O ATOM 656 CB ALA A 47 9.413 -1.108 2.242 1.00 0.00 C ATOM 0 H ALA A 47 8.167 -0.022 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 47 9.575 -2.385 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.324 -1.931 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.455 -0.793 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.800 -0.271 2.578 1.00 0.00 H new ATOM 662 N VAL A 48 7.301 -3.312 0.478 1.00 0.00 N ATOM 663 CA VAL A 48 5.978 -3.924 0.495 1.00 0.00 C ATOM 664 C VAL A 48 5.778 -4.765 1.751 1.00 0.00 C ATOM 665 O VAL A 48 6.571 -5.660 2.043 1.00 0.00 O ATOM 666 CB VAL A 48 5.754 -4.811 -0.744 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.382 -5.466 -0.691 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.917 -3.997 -2.018 1.00 0.00 C ATOM 0 H VAL A 48 8.033 -3.901 0.080 1.00 0.00 H new ATOM 0 HA VAL A 48 5.253 -3.110 0.486 1.00 0.00 H new ATOM 0 HB VAL A 48 6.506 -5.600 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.242 -6.089 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.308 -6.084 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.612 -4.695 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.755 -4.640 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.189 -3.186 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.924 -3.581 -2.058 1.00 0.00 H new ATOM 678 N GLU A 49 4.713 -4.471 2.491 1.00 0.00 N ATOM 679 CA GLU A 49 4.410 -5.200 3.716 1.00 0.00 C ATOM 680 C GLU A 49 3.074 -5.928 3.599 1.00 0.00 C ATOM 681 O GLU A 49 2.019 -5.363 3.886 1.00 0.00 O ATOM 682 CB GLU A 49 4.379 -4.245 4.911 1.00 0.00 C ATOM 683 CG GLU A 49 5.758 -3.899 5.449 1.00 0.00 C ATOM 684 CD GLU A 49 6.271 -4.927 6.439 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.677 -5.048 7.531 1.00 0.00 O ATOM 686 OE2 GLU A 49 7.268 -5.609 6.122 1.00 0.00 O ATOM 0 H GLU A 49 4.046 -3.733 2.263 1.00 0.00 H new ATOM 0 HA GLU A 49 5.196 -5.939 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.871 -3.326 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.789 -4.695 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.459 -3.819 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.722 -2.922 5.931 1.00 0.00 H new ATOM 693 N GLY A 50 3.127 -7.188 3.176 1.00 0.00 N ATOM 694 CA GLY A 50 1.916 -7.973 3.027 1.00 0.00 C ATOM 695 C GLY A 50 1.974 -9.279 3.794 1.00 0.00 C ATOM 696 O GLY A 50 2.825 -9.478 4.661 1.00 0.00 O ATOM 0 H GLY A 50 3.988 -7.679 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.063 -7.389 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.750 -8.183 1.970 1.00 0.00 H new ATOM 700 N PRO A 51 1.050 -10.198 3.475 1.00 0.00 N ATOM 701 CA PRO A 51 0.978 -11.508 4.130 1.00 0.00 C ATOM 702 C PRO A 51 2.148 -12.410 3.751 1.00 0.00 C ATOM 703 O PRO A 51 2.261 -13.534 4.240 1.00 0.00 O ATOM 704 CB PRO A 51 -0.338 -12.092 3.611 1.00 0.00 C ATOM 705 CG PRO A 51 -0.564 -11.413 2.304 1.00 0.00 C ATOM 706 CD PRO A 51 0.005 -10.029 2.452 1.00 0.00 C ATOM 0 HA PRO A 51 1.024 -11.424 5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.271 -13.173 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.157 -11.900 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.073 -11.952 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.626 -11.374 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.418 -9.662 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.755 -9.314 2.768 1.00 0.00 H new ATOM 714 N SER A 52 3.015 -11.910 2.877 1.00 0.00 N ATOM 715 CA SER A 52 4.175 -12.673 2.430 1.00 0.00 C ATOM 716 C SER A 52 5.151 -11.782 1.668 1.00 0.00 C ATOM 717 O SER A 52 4.745 -10.932 0.875 1.00 0.00 O ATOM 718 CB SER A 52 3.734 -13.840 1.544 1.00 0.00 C ATOM 719 OG SER A 52 4.637 -14.927 1.645 1.00 0.00 O ATOM 0 H SER A 52 2.937 -10.981 2.464 1.00 0.00 H new ATOM 0 HA SER A 52 4.682 -13.066 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.735 -14.165 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.672 -13.510 0.507 1.00 0.00 H new ATOM 0 HG SER A 52 4.332 -15.660 1.071 1.00 0.00 H new ATOM 725 N LYS A 53 6.441 -11.983 1.913 1.00 0.00 N ATOM 726 CA LYS A 53 7.477 -11.199 1.251 1.00 0.00 C ATOM 727 C LYS A 53 7.327 -11.270 -0.266 1.00 0.00 C ATOM 728 O LYS A 53 6.967 -12.311 -0.816 1.00 0.00 O ATOM 729 CB LYS A 53 8.864 -11.701 1.660 1.00 0.00 C ATOM 730 CG LYS A 53 9.418 -11.016 2.897 1.00 0.00 C ATOM 731 CD LYS A 53 10.358 -11.928 3.666 1.00 0.00 C ATOM 732 CE LYS A 53 11.742 -11.963 3.035 1.00 0.00 C ATOM 733 NZ LYS A 53 12.573 -10.802 3.457 1.00 0.00 N ATOM 0 H LYS A 53 6.794 -12.683 2.566 1.00 0.00 H new ATOM 0 HA LYS A 53 7.366 -10.160 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.814 -12.775 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.555 -11.550 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.948 -10.109 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.596 -10.711 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.436 -11.585 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.945 -12.936 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.245 -12.889 3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.646 -11.966 1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.508 -10.862 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.106 -9.918 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.686 -10.813 4.491 1.00 0.00 H new ATOM 747 N VAL A 54 7.605 -10.156 -0.936 1.00 0.00 N ATOM 748 CA VAL A 54 7.503 -10.093 -2.389 1.00 0.00 C ATOM 749 C VAL A 54 8.697 -9.361 -2.992 1.00 0.00 C ATOM 750 O VAL A 54 8.839 -8.148 -2.834 1.00 0.00 O ATOM 751 CB VAL A 54 6.206 -9.389 -2.830 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.045 -10.371 -2.851 1.00 0.00 C ATOM 753 CG2 VAL A 54 5.903 -8.211 -1.916 1.00 0.00 C ATOM 0 H VAL A 54 7.902 -9.285 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 54 7.490 -11.121 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 54 6.346 -9.008 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.138 -9.855 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.264 -11.178 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.900 -10.785 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.983 -7.725 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.783 -8.566 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.725 -7.497 -1.958 1.00 0.00 H new ATOM 763 N ASP A 55 9.552 -10.105 -3.684 1.00 0.00 N ATOM 764 CA ASP A 55 10.734 -9.527 -4.314 1.00 0.00 C ATOM 765 C ASP A 55 10.390 -8.216 -5.015 1.00 0.00 C ATOM 766 O ASP A 55 9.284 -8.049 -5.531 1.00 0.00 O ATOM 767 CB ASP A 55 11.338 -10.512 -5.315 1.00 0.00 C ATOM 768 CG ASP A 55 11.789 -11.802 -4.658 1.00 0.00 C ATOM 769 OD1 ASP A 55 12.820 -11.781 -3.954 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.109 -12.832 -4.847 1.00 0.00 O ATOM 0 H ASP A 55 9.449 -11.110 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 55 11.466 -9.320 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.602 -10.739 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.188 -10.045 -5.813 1.00 0.00 H new ATOM 775 N ILE A 56 11.342 -7.291 -5.028 1.00 0.00 N ATOM 776 CA ILE A 56 11.140 -5.996 -5.666 1.00 0.00 C ATOM 777 C ILE A 56 12.315 -5.638 -6.569 1.00 0.00 C ATOM 778 O ILE A 56 13.417 -5.370 -6.093 1.00 0.00 O ATOM 779 CB ILE A 56 10.950 -4.878 -4.623 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.793 -5.220 -3.682 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.701 -3.546 -5.314 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.448 -4.106 -2.719 1.00 0.00 C ATOM 0 H ILE A 56 12.262 -7.414 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 56 10.235 -6.079 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 56 11.862 -4.794 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.912 -5.462 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.050 -6.114 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.569 -2.766 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.553 -3.300 -5.947 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.802 -3.616 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.620 -4.418 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.316 -3.879 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.160 -3.217 -3.280 1.00 0.00 H new ATOM 794 N GLN A 57 12.070 -5.634 -7.876 1.00 0.00 N ATOM 795 CA GLN A 57 13.108 -5.307 -8.846 1.00 0.00 C ATOM 796 C GLN A 57 12.877 -3.925 -9.447 1.00 0.00 C ATOM 797 O GLN A 57 11.800 -3.636 -9.971 1.00 0.00 O ATOM 798 CB GLN A 57 13.147 -6.359 -9.956 1.00 0.00 C ATOM 799 CG GLN A 57 13.759 -7.681 -9.521 1.00 0.00 C ATOM 800 CD GLN A 57 13.673 -8.746 -10.597 1.00 0.00 C ATOM 801 OE1 GLN A 57 13.845 -8.462 -11.783 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.407 -9.981 -10.188 1.00 0.00 N ATOM 0 H GLN A 57 11.162 -5.853 -8.287 1.00 0.00 H new ATOM 0 HA GLN A 57 14.066 -5.301 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.132 -6.538 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.715 -5.965 -10.799 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.804 -7.523 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.251 -8.034 -8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.272 -10.171 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.338 -10.739 -10.867 1.00 0.00 H new ATOM 811 N THR A 58 13.893 -3.072 -9.367 1.00 0.00 N ATOM 812 CA THR A 58 13.800 -1.719 -9.901 1.00 0.00 C ATOM 813 C THR A 58 14.856 -1.478 -10.974 1.00 0.00 C ATOM 814 O THR A 58 15.901 -2.129 -10.986 1.00 0.00 O ATOM 815 CB THR A 58 13.963 -0.665 -8.790 1.00 0.00 C ATOM 816 OG1 THR A 58 15.166 -0.910 -8.054 1.00 0.00 O ATOM 817 CG2 THR A 58 12.771 -0.686 -7.845 1.00 0.00 C ATOM 0 H THR A 58 14.791 -3.294 -8.937 1.00 0.00 H new ATOM 0 HA THR A 58 12.808 -1.620 -10.343 1.00 0.00 H new ATOM 0 HB THR A 58 14.018 0.318 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.263 -0.234 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.909 0.067 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.860 -0.469 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.689 -1.671 -7.385 1.00 0.00 H new ATOM 825 N GLU A 59 14.577 -0.539 -11.872 1.00 0.00 N ATOM 826 CA GLU A 59 15.504 -0.212 -12.949 1.00 0.00 C ATOM 827 C GLU A 59 15.188 1.157 -13.543 1.00 0.00 C ATOM 828 O GLU A 59 14.026 1.554 -13.632 1.00 0.00 O ATOM 829 CB GLU A 59 15.446 -1.281 -14.042 1.00 0.00 C ATOM 830 CG GLU A 59 16.147 -0.874 -15.328 1.00 0.00 C ATOM 831 CD GLU A 59 17.636 -0.659 -15.139 1.00 0.00 C ATOM 832 OE1 GLU A 59 18.242 -1.394 -14.331 1.00 0.00 O ATOM 833 OE2 GLU A 59 18.194 0.243 -15.797 1.00 0.00 O ATOM 0 H GLU A 59 13.717 0.009 -11.875 1.00 0.00 H new ATOM 0 HA GLU A 59 16.511 -0.183 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.899 -2.198 -13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.403 -1.507 -14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.988 -1.644 -16.083 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.697 0.043 -15.708 1.00 0.00 H new ATOM 840 N ASP A 60 16.230 1.875 -13.946 1.00 0.00 N ATOM 841 CA ASP A 60 16.065 3.200 -14.532 1.00 0.00 C ATOM 842 C ASP A 60 15.580 3.100 -15.975 1.00 0.00 C ATOM 843 O ASP A 60 16.223 2.468 -16.815 1.00 0.00 O ATOM 844 CB ASP A 60 17.383 3.974 -14.477 1.00 0.00 C ATOM 845 CG ASP A 60 17.476 5.038 -15.552 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.887 6.124 -15.366 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.137 4.786 -16.581 1.00 0.00 O ATOM 0 H ASP A 60 17.198 1.562 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 60 15.314 3.735 -13.951 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.486 4.441 -13.498 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.214 3.278 -14.586 1.00 0.00 H new ATOM 852 N LEU A 61 14.443 3.725 -16.257 1.00 0.00 N ATOM 853 CA LEU A 61 13.871 3.706 -17.598 1.00 0.00 C ATOM 854 C LEU A 61 14.429 4.845 -18.445 1.00 0.00 C ATOM 855 O LEU A 61 15.234 5.646 -17.971 1.00 0.00 O ATOM 856 CB LEU A 61 12.346 3.809 -17.526 1.00 0.00 C ATOM 857 CG LEU A 61 11.618 2.595 -16.949 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.122 2.859 -16.867 1.00 0.00 C ATOM 859 CD2 LEU A 61 11.896 1.357 -17.790 1.00 0.00 C ATOM 0 H LEU A 61 13.898 4.252 -15.574 1.00 0.00 H new ATOM 0 HA LEU A 61 14.143 2.761 -18.068 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.089 4.681 -16.925 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.966 3.991 -18.531 1.00 0.00 H new ATOM 0 HG LEU A 61 11.992 2.417 -15.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.620 1.984 -16.454 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.939 3.720 -16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.733 3.063 -17.865 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.370 0.502 -17.365 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.550 1.525 -18.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.967 1.156 -17.798 1.00 0.00 H new ATOM 871 N GLU A 62 13.995 4.910 -19.700 1.00 0.00 N ATOM 872 CA GLU A 62 14.452 5.952 -20.612 1.00 0.00 C ATOM 873 C GLU A 62 13.807 7.293 -20.273 1.00 0.00 C ATOM 874 O GLU A 62 14.421 8.348 -20.436 1.00 0.00 O ATOM 875 CB GLU A 62 14.131 5.572 -22.059 1.00 0.00 C ATOM 876 CG GLU A 62 12.643 5.549 -22.366 1.00 0.00 C ATOM 877 CD GLU A 62 12.127 6.889 -22.852 1.00 0.00 C ATOM 878 OE1 GLU A 62 12.764 7.917 -22.542 1.00 0.00 O ATOM 879 OE2 GLU A 62 11.086 6.910 -23.542 1.00 0.00 O ATOM 0 H GLU A 62 13.328 4.254 -20.108 1.00 0.00 H new ATOM 0 HA GLU A 62 15.532 6.048 -20.500 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.621 6.279 -22.729 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.552 4.589 -22.270 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.444 4.791 -23.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.095 5.256 -21.470 1.00 0.00 H new ATOM 886 N ASP A 63 12.567 7.243 -19.799 1.00 0.00 N ATOM 887 CA ASP A 63 11.838 8.453 -19.436 1.00 0.00 C ATOM 888 C ASP A 63 12.436 9.093 -18.186 1.00 0.00 C ATOM 889 O ASP A 63 12.142 10.243 -17.864 1.00 0.00 O ATOM 890 CB ASP A 63 10.361 8.134 -19.204 1.00 0.00 C ATOM 891 CG ASP A 63 9.572 8.069 -20.497 1.00 0.00 C ATOM 892 OD1 ASP A 63 9.051 9.119 -20.928 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.477 6.968 -21.078 1.00 0.00 O ATOM 0 H ASP A 63 12.046 6.378 -19.657 1.00 0.00 H new ATOM 0 HA ASP A 63 11.923 9.160 -20.261 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.276 7.181 -18.682 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.926 8.893 -18.554 1.00 0.00 H new ATOM 898 N GLY A 64 13.276 8.338 -17.485 1.00 0.00 N ATOM 899 CA GLY A 64 13.901 8.847 -16.278 1.00 0.00 C ATOM 900 C GLY A 64 13.087 8.549 -15.035 1.00 0.00 C ATOM 901 O GLY A 64 13.165 9.275 -14.043 1.00 0.00 O ATOM 0 H GLY A 64 13.535 7.383 -17.731 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.893 8.408 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.038 9.925 -16.370 1.00 0.00 H new ATOM 905 N THR A 65 12.300 7.479 -15.086 1.00 0.00 N ATOM 906 CA THR A 65 11.466 7.088 -13.956 1.00 0.00 C ATOM 907 C THR A 65 11.880 5.725 -13.413 1.00 0.00 C ATOM 908 O THR A 65 12.704 5.032 -14.010 1.00 0.00 O ATOM 909 CB THR A 65 9.977 7.042 -14.347 1.00 0.00 C ATOM 910 OG1 THR A 65 9.782 6.122 -15.427 1.00 0.00 O ATOM 911 CG2 THR A 65 9.481 8.421 -14.754 1.00 0.00 C ATOM 0 H THR A 65 12.223 6.867 -15.898 1.00 0.00 H new ATOM 0 HA THR A 65 11.608 7.842 -13.182 1.00 0.00 H new ATOM 0 HB THR A 65 9.407 6.710 -13.479 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.870 6.213 -15.774 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.427 8.363 -15.026 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.603 9.112 -13.920 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.057 8.777 -15.608 1.00 0.00 H new ATOM 919 N CYS A 66 11.303 5.347 -12.278 1.00 0.00 N ATOM 920 CA CYS A 66 11.612 4.065 -11.653 1.00 0.00 C ATOM 921 C CYS A 66 10.428 3.109 -11.758 1.00 0.00 C ATOM 922 O CYS A 66 9.336 3.399 -11.268 1.00 0.00 O ATOM 923 CB CYS A 66 11.991 4.268 -10.185 1.00 0.00 C ATOM 924 SG CYS A 66 13.646 4.951 -9.938 1.00 0.00 S ATOM 0 H CYS A 66 10.619 5.909 -11.772 1.00 0.00 H new ATOM 0 HA CYS A 66 12.458 3.626 -12.182 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.262 4.933 -9.721 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.924 3.311 -9.668 1.00 0.00 H new ATOM 0 HG CYS A 66 13.873 5.088 -8.665 1.00 0.00 H new ATOM 930 N LYS A 67 10.651 1.969 -12.402 1.00 0.00 N ATOM 931 CA LYS A 67 9.603 0.969 -12.573 1.00 0.00 C ATOM 932 C LYS A 67 9.805 -0.200 -11.615 1.00 0.00 C ATOM 933 O LYS A 67 10.702 -1.023 -11.805 1.00 0.00 O ATOM 934 CB LYS A 67 9.584 0.462 -14.017 1.00 0.00 C ATOM 935 CG LYS A 67 8.702 -0.757 -14.222 1.00 0.00 C ATOM 936 CD LYS A 67 8.842 -1.317 -15.628 1.00 0.00 C ATOM 937 CE LYS A 67 7.849 -0.676 -16.585 1.00 0.00 C ATOM 938 NZ LYS A 67 8.186 -0.961 -18.007 1.00 0.00 N ATOM 0 H LYS A 67 11.548 1.714 -12.815 1.00 0.00 H new ATOM 0 HA LYS A 67 8.646 1.440 -12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.239 1.264 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.602 0.219 -14.321 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.967 -1.525 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.662 -0.489 -14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.857 -1.149 -15.988 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.686 -2.396 -15.608 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.846 -1.045 -16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.834 0.402 -16.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.486 -0.507 -18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.132 -0.587 -18.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.175 -1.989 -18.167 1.00 0.00 H new ATOM 952 N VAL A 68 8.966 -0.269 -10.587 1.00 0.00 N ATOM 953 CA VAL A 68 9.051 -1.340 -9.601 1.00 0.00 C ATOM 954 C VAL A 68 8.339 -2.596 -10.090 1.00 0.00 C ATOM 955 O VAL A 68 7.332 -2.516 -10.793 1.00 0.00 O ATOM 956 CB VAL A 68 8.444 -0.910 -8.252 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.656 -1.991 -7.202 1.00 0.00 C ATOM 958 CG2 VAL A 68 9.041 0.412 -7.796 1.00 0.00 C ATOM 0 H VAL A 68 8.219 0.404 -10.415 1.00 0.00 H new ATOM 0 HA VAL A 68 10.110 -1.558 -9.461 1.00 0.00 H new ATOM 0 HB VAL A 68 7.371 -0.771 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.221 -1.670 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.176 -2.914 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.724 -2.165 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.601 0.700 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.119 0.303 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.832 1.181 -8.539 1.00 0.00 H new ATOM 968 N SER A 69 8.869 -3.755 -9.712 1.00 0.00 N ATOM 969 CA SER A 69 8.286 -5.029 -10.115 1.00 0.00 C ATOM 970 C SER A 69 8.326 -6.033 -8.967 1.00 0.00 C ATOM 971 O SER A 69 9.354 -6.199 -8.309 1.00 0.00 O ATOM 972 CB SER A 69 9.029 -5.594 -11.327 1.00 0.00 C ATOM 973 OG SER A 69 9.025 -4.672 -12.403 1.00 0.00 O ATOM 0 H SER A 69 9.701 -3.838 -9.127 1.00 0.00 H new ATOM 0 HA SER A 69 7.245 -4.854 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.056 -5.830 -11.050 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.561 -6.527 -11.642 1.00 0.00 H new ATOM 0 HG SER A 69 9.507 -5.056 -13.165 1.00 0.00 H new ATOM 979 N TYR A 70 7.201 -6.698 -8.731 1.00 0.00 N ATOM 980 CA TYR A 70 7.106 -7.684 -7.661 1.00 0.00 C ATOM 981 C TYR A 70 6.222 -8.856 -8.077 1.00 0.00 C ATOM 982 O TYR A 70 5.333 -8.711 -8.916 1.00 0.00 O ATOM 983 CB TYR A 70 6.550 -7.036 -6.391 1.00 0.00 C ATOM 984 CG TYR A 70 5.071 -6.732 -6.465 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.614 -5.528 -6.987 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.129 -7.648 -6.011 1.00 0.00 C ATOM 987 CE1 TYR A 70 3.264 -5.246 -7.055 1.00 0.00 C ATOM 988 CE2 TYR A 70 2.777 -7.374 -6.076 1.00 0.00 C ATOM 989 CZ TYR A 70 2.349 -6.172 -6.599 1.00 0.00 C ATOM 990 OH TYR A 70 1.003 -5.895 -6.665 1.00 0.00 O ATOM 0 H TYR A 70 6.342 -6.572 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 70 8.108 -8.063 -7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.735 -7.698 -5.545 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.093 -6.111 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.327 -4.800 -7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.460 -8.590 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.926 -4.305 -7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.059 -8.097 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 70 0.495 -6.652 -6.304 1.00 0.00 H new ATOM 1000 N PHE A 71 6.473 -10.017 -7.482 1.00 0.00 N ATOM 1001 CA PHE A 71 5.701 -11.216 -7.790 1.00 0.00 C ATOM 1002 C PHE A 71 5.041 -11.775 -6.533 1.00 0.00 C ATOM 1003 O PHE A 71 5.666 -12.469 -5.730 1.00 0.00 O ATOM 1004 CB PHE A 71 6.601 -12.279 -8.423 1.00 0.00 C ATOM 1005 CG PHE A 71 5.844 -13.323 -9.193 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.303 -13.031 -10.435 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.675 -14.598 -8.676 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.606 -13.990 -11.145 1.00 0.00 C ATOM 1009 CE2 PHE A 71 4.979 -15.561 -9.382 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.445 -15.257 -10.618 1.00 0.00 C ATOM 0 H PHE A 71 7.204 -10.154 -6.784 1.00 0.00 H new ATOM 0 HA PHE A 71 4.919 -10.943 -8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.312 -11.791 -9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.181 -12.766 -7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.428 -12.043 -10.853 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.092 -14.842 -7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.187 -13.749 -12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.853 -16.550 -8.967 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.902 -16.008 -11.172 1.00 0.00 H new ATOM 1020 N PRO A 72 3.748 -11.467 -6.357 1.00 0.00 N ATOM 1021 CA PRO A 72 2.974 -11.928 -5.200 1.00 0.00 C ATOM 1022 C PRO A 72 2.712 -13.429 -5.240 1.00 0.00 C ATOM 1023 O PRO A 72 2.501 -14.006 -6.307 1.00 0.00 O ATOM 1024 CB PRO A 72 1.660 -11.152 -5.320 1.00 0.00 C ATOM 1025 CG PRO A 72 1.537 -10.838 -6.771 1.00 0.00 C ATOM 1026 CD PRO A 72 2.941 -10.645 -7.274 1.00 0.00 C ATOM 0 HA PRO A 72 3.502 -11.756 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.816 -11.746 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.681 -10.243 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.039 -11.648 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.940 -9.939 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.046 -10.975 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.239 -9.597 -7.242 1.00 0.00 H new ATOM 1034 N THR A 73 2.726 -14.059 -4.069 1.00 0.00 N ATOM 1035 CA THR A 73 2.490 -15.494 -3.969 1.00 0.00 C ATOM 1036 C THR A 73 1.322 -15.796 -3.038 1.00 0.00 C ATOM 1037 O THR A 73 0.716 -16.865 -3.112 1.00 0.00 O ATOM 1038 CB THR A 73 3.742 -16.235 -3.462 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.096 -15.763 -2.158 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.912 -16.035 -4.414 1.00 0.00 C ATOM 0 H THR A 73 2.898 -13.597 -3.176 1.00 0.00 H new ATOM 0 HA THR A 73 2.250 -15.846 -4.973 1.00 0.00 H new ATOM 0 HB THR A 73 3.512 -17.299 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.892 -16.240 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.784 -16.567 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.650 -16.422 -5.399 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.141 -14.972 -4.491 1.00 0.00 H new ATOM 1048 N VAL A 74 1.011 -14.848 -2.160 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.087 -15.012 -1.214 1.00 0.00 C ATOM 1050 C VAL A 74 -1.084 -13.864 -1.324 1.00 0.00 C ATOM 1051 O VAL A 74 -0.726 -12.688 -1.245 1.00 0.00 O ATOM 1052 CB VAL A 74 0.429 -15.092 0.235 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.734 -15.129 1.215 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.326 -16.308 0.414 1.00 0.00 C ATOM 0 H VAL A 74 1.504 -13.958 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.586 -15.948 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 74 1.019 -14.199 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.350 -15.186 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.333 -14.225 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.353 -16.003 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.682 -16.349 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.762 -17.213 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.178 -16.234 -0.262 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.366 -14.210 -1.511 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.442 -13.222 -1.635 1.00 0.00 C ATOM 1066 C PRO A 75 -3.725 -12.505 -0.319 1.00 0.00 C ATOM 1067 O PRO A 75 -3.635 -13.098 0.755 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.649 -14.064 -2.055 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.357 -15.430 -1.537 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.864 -15.591 -1.614 1.00 0.00 C ATOM 0 HA PRO A 75 -3.190 -12.431 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.573 -13.670 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.771 -14.069 -3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.709 -15.542 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.863 -16.190 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.485 -16.216 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.558 -16.060 -2.549 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.067 -11.223 -0.411 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.358 -10.446 0.780 1.00 0.00 C ATOM 1080 C GLY A 76 -4.200 -8.956 0.553 1.00 0.00 C ATOM 1081 O GLY A 76 -4.427 -8.461 -0.552 1.00 0.00 O ATOM 0 H GLY A 76 -4.148 -10.709 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.377 -10.655 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.695 -10.760 1.586 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.811 -8.237 1.601 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.623 -6.794 1.511 1.00 0.00 C ATOM 1087 C VAL A 77 -2.148 -6.424 1.613 1.00 0.00 C ATOM 1088 O VAL A 77 -1.533 -6.566 2.671 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.404 -6.056 2.615 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.008 -4.588 2.659 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.902 -6.207 2.399 1.00 0.00 C ATOM 0 H VAL A 77 -3.620 -8.630 2.522 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.005 -6.486 0.538 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.152 -6.504 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.570 -4.083 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.941 -4.505 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.229 -4.123 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.438 -5.680 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.174 -5.786 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.168 -7.264 2.423 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.585 -5.949 0.508 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.180 -5.560 0.472 1.00 0.00 C ATOM 1103 C TYR A 78 -0.029 -4.049 0.618 1.00 0.00 C ATOM 1104 O TYR A 78 -0.681 -3.278 -0.087 1.00 0.00 O ATOM 1105 CB TYR A 78 0.467 -6.025 -0.834 1.00 0.00 C ATOM 1106 CG TYR A 78 0.737 -7.512 -0.880 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.253 -8.406 -1.269 1.00 0.00 C ATOM 1108 CD2 TYR A 78 1.982 -8.023 -0.534 1.00 0.00 C ATOM 1109 CE1 TYR A 78 -0.011 -9.766 -1.312 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.233 -9.381 -0.575 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.234 -10.248 -0.965 1.00 0.00 C ATOM 1112 OH TYR A 78 1.480 -11.601 -1.006 1.00 0.00 O ATOM 0 H TYR A 78 -2.080 -5.824 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 78 0.325 -6.040 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.182 -5.756 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.406 -5.489 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.228 -8.032 -1.542 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.767 -7.347 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.792 -10.447 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.206 -9.762 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 78 0.709 -12.085 -0.644 1.00 0.00 H new ATOM 1122 N ILE A 79 0.836 -3.634 1.537 1.00 0.00 N ATOM 1123 CA ILE A 79 1.075 -2.215 1.774 1.00 0.00 C ATOM 1124 C ILE A 79 2.367 -1.756 1.107 1.00 0.00 C ATOM 1125 O ILE A 79 3.462 -2.027 1.598 1.00 0.00 O ATOM 1126 CB ILE A 79 1.148 -1.902 3.280 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.138 -2.346 3.980 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.392 -0.416 3.501 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.395 -1.827 3.318 1.00 0.00 C ATOM 0 H ILE A 79 1.383 -4.259 2.129 1.00 0.00 H new ATOM 0 HA ILE A 79 0.234 -1.676 1.339 1.00 0.00 H new ATOM 0 HB ILE A 79 1.982 -2.456 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.172 -3.435 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.115 -2.006 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.441 -0.210 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.333 -0.128 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.577 0.156 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.268 -2.181 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.383 -0.737 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.441 -2.189 2.291 1.00 0.00 H new ATOM 1141 N VAL A 80 2.230 -1.057 -0.015 1.00 0.00 N ATOM 1142 CA VAL A 80 3.386 -0.556 -0.749 1.00 0.00 C ATOM 1143 C VAL A 80 3.825 0.805 -0.221 1.00 0.00 C ATOM 1144 O VAL A 80 3.210 1.827 -0.524 1.00 0.00 O ATOM 1145 CB VAL A 80 3.087 -0.438 -2.255 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.252 0.215 -2.982 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.778 -1.806 -2.846 1.00 0.00 C ATOM 0 H VAL A 80 1.330 -0.825 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 80 4.191 -1.276 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 80 2.209 0.195 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.022 0.290 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.421 1.213 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.150 -0.388 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.569 -1.704 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.635 -2.465 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.908 -2.231 -2.345 1.00 0.00 H new ATOM 1157 N SER A 81 4.894 0.810 0.569 1.00 0.00 N ATOM 1158 CA SER A 81 5.414 2.046 1.143 1.00 0.00 C ATOM 1159 C SER A 81 6.264 2.801 0.125 1.00 0.00 C ATOM 1160 O SER A 81 7.430 2.473 -0.094 1.00 0.00 O ATOM 1161 CB SER A 81 6.244 1.744 2.392 1.00 0.00 C ATOM 1162 OG SER A 81 5.432 1.736 3.554 1.00 0.00 O ATOM 0 H SER A 81 5.417 -0.027 0.826 1.00 0.00 H new ATOM 0 HA SER A 81 4.567 2.673 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.735 0.777 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.031 2.491 2.499 1.00 0.00 H new ATOM 0 HG SER A 81 5.985 1.539 4.338 1.00 0.00 H new ATOM 1168 N THR A 82 5.670 3.817 -0.495 1.00 0.00 N ATOM 1169 CA THR A 82 6.370 4.619 -1.490 1.00 0.00 C ATOM 1170 C THR A 82 6.842 5.941 -0.897 1.00 0.00 C ATOM 1171 O THR A 82 6.038 6.832 -0.619 1.00 0.00 O ATOM 1172 CB THR A 82 5.475 4.907 -2.710 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.708 3.744 -3.041 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.312 5.326 -3.909 1.00 0.00 C ATOM 0 H THR A 82 4.706 4.103 -0.325 1.00 0.00 H new ATOM 0 HA THR A 82 7.235 4.039 -1.812 1.00 0.00 H new ATOM 0 HB THR A 82 4.802 5.725 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.141 3.936 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.658 5.524 -4.758 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.872 6.229 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.007 4.526 -4.165 1.00 0.00 H new ATOM 1182 N LYS A 83 8.151 6.065 -0.705 1.00 0.00 N ATOM 1183 CA LYS A 83 8.732 7.280 -0.147 1.00 0.00 C ATOM 1184 C LYS A 83 9.661 7.951 -1.153 1.00 0.00 C ATOM 1185 O LYS A 83 10.263 7.286 -1.997 1.00 0.00 O ATOM 1186 CB LYS A 83 9.499 6.959 1.138 1.00 0.00 C ATOM 1187 CG LYS A 83 8.648 7.043 2.392 1.00 0.00 C ATOM 1188 CD LYS A 83 9.504 7.185 3.639 1.00 0.00 C ATOM 1189 CE LYS A 83 10.190 5.875 3.996 1.00 0.00 C ATOM 1190 NZ LYS A 83 9.355 5.042 4.905 1.00 0.00 N ATOM 0 H LYS A 83 8.830 5.338 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 83 7.919 7.969 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.918 5.956 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.338 7.648 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.970 7.893 2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.030 6.149 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.255 7.959 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.883 7.511 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.403 5.316 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.148 6.085 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.440 4.041 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.681 5.164 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.361 5.338 4.831 1.00 0.00 H new ATOM 1204 N PHE A 84 9.775 9.271 -1.058 1.00 0.00 N ATOM 1205 CA PHE A 84 10.633 10.032 -1.959 1.00 0.00 C ATOM 1206 C PHE A 84 11.247 11.231 -1.243 1.00 0.00 C ATOM 1207 O PHE A 84 10.570 12.226 -0.983 1.00 0.00 O ATOM 1208 CB PHE A 84 9.836 10.504 -3.177 1.00 0.00 C ATOM 1209 CG PHE A 84 10.569 11.507 -4.021 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.601 11.107 -4.856 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.228 12.849 -3.980 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.278 12.027 -5.634 1.00 0.00 C ATOM 1213 CE2 PHE A 84 10.901 13.773 -4.757 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.928 13.362 -5.584 1.00 0.00 C ATOM 0 H PHE A 84 9.284 9.837 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 84 11.440 9.378 -2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.582 9.641 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.897 10.942 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.879 10.064 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.427 13.177 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.080 11.702 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.624 14.816 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.456 14.083 -6.190 1.00 0.00 H new ATOM 1224 N ALA A 85 12.534 11.129 -0.927 1.00 0.00 N ATOM 1225 CA ALA A 85 13.240 12.205 -0.243 1.00 0.00 C ATOM 1226 C ALA A 85 12.766 12.342 1.200 1.00 0.00 C ATOM 1227 O ALA A 85 12.551 13.451 1.690 1.00 0.00 O ATOM 1228 CB ALA A 85 13.054 13.517 -0.989 1.00 0.00 C ATOM 0 H ALA A 85 13.109 10.312 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 85 14.301 11.957 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.587 14.311 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.449 13.420 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.993 13.762 -1.036 1.00 0.00 H new ATOM 1234 N ASP A 86 12.604 11.209 1.875 1.00 0.00 N ATOM 1235 CA ASP A 86 12.155 11.203 3.262 1.00 0.00 C ATOM 1236 C ASP A 86 10.743 11.767 3.379 1.00 0.00 C ATOM 1237 O ASP A 86 10.439 12.519 4.305 1.00 0.00 O ATOM 1238 CB ASP A 86 13.115 12.014 4.135 1.00 0.00 C ATOM 1239 CG ASP A 86 12.795 11.896 5.612 1.00 0.00 C ATOM 1240 OD1 ASP A 86 12.746 10.756 6.118 1.00 0.00 O ATOM 1241 OD2 ASP A 86 12.593 12.943 6.261 1.00 0.00 O ATOM 0 H ASP A 86 12.777 10.283 1.484 1.00 0.00 H new ATOM 0 HA ASP A 86 12.144 10.170 3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.136 11.675 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.072 13.062 3.840 1.00 0.00 H new ATOM 1246 N GLU A 87 9.884 11.400 2.433 1.00 0.00 N ATOM 1247 CA GLU A 87 8.504 11.872 2.429 1.00 0.00 C ATOM 1248 C GLU A 87 7.605 10.917 1.649 1.00 0.00 C ATOM 1249 O GLU A 87 7.800 10.701 0.452 1.00 0.00 O ATOM 1250 CB GLU A 87 8.423 13.275 1.826 1.00 0.00 C ATOM 1251 CG GLU A 87 8.762 14.382 2.810 1.00 0.00 C ATOM 1252 CD GLU A 87 8.546 15.766 2.229 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.389 16.236 2.228 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.535 16.379 1.775 1.00 0.00 O ATOM 0 H GLU A 87 10.119 10.778 1.660 1.00 0.00 H new ATOM 0 HA GLU A 87 8.156 11.909 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.103 13.336 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.416 13.438 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.150 14.268 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.802 14.281 3.121 1.00 0.00 H new ATOM 1261 N HIS A 88 6.619 10.348 2.335 1.00 0.00 N ATOM 1262 CA HIS A 88 5.689 9.417 1.707 1.00 0.00 C ATOM 1263 C HIS A 88 4.777 10.141 0.721 1.00 0.00 C ATOM 1264 O HIS A 88 4.226 11.198 1.030 1.00 0.00 O ATOM 1265 CB HIS A 88 4.849 8.707 2.769 1.00 0.00 C ATOM 1266 CG HIS A 88 5.458 7.429 3.258 1.00 0.00 C ATOM 1267 ND1 HIS A 88 5.078 6.188 2.792 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.426 7.204 4.177 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.785 5.255 3.404 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.610 5.845 4.249 1.00 0.00 N ATOM 0 H HIS A 88 6.444 10.515 3.326 1.00 0.00 H new ATOM 0 HA HIS A 88 6.271 8.676 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.705 9.379 3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.862 8.496 2.358 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.363 6.017 2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.955 7.953 4.747 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.702 4.191 3.241 1.00 0.00 H new ATOM 1279 N VAL A 89 4.623 9.566 -0.467 1.00 0.00 N ATOM 1280 CA VAL A 89 3.778 10.157 -1.499 1.00 0.00 C ATOM 1281 C VAL A 89 2.426 10.572 -0.930 1.00 0.00 C ATOM 1282 O VAL A 89 1.964 10.050 0.085 1.00 0.00 O ATOM 1283 CB VAL A 89 3.553 9.179 -2.667 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.770 9.145 -3.578 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.230 7.788 -2.143 1.00 0.00 C ATOM 0 H VAL A 89 5.072 8.692 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 89 4.300 11.040 -1.869 1.00 0.00 H new ATOM 0 HB VAL A 89 2.702 9.529 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.592 8.448 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.950 10.141 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.641 8.821 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.074 7.110 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.059 7.427 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.325 7.829 -1.537 1.00 0.00 H new ATOM 1295 N PRO A 90 1.774 11.535 -1.598 1.00 0.00 N ATOM 1296 CA PRO A 90 0.464 12.042 -1.178 1.00 0.00 C ATOM 1297 C PRO A 90 -0.646 11.016 -1.377 1.00 0.00 C ATOM 1298 O PRO A 90 -1.331 11.019 -2.399 1.00 0.00 O ATOM 1299 CB PRO A 90 0.243 13.252 -2.088 1.00 0.00 C ATOM 1300 CG PRO A 90 1.065 12.971 -3.298 1.00 0.00 C ATOM 1301 CD PRO A 90 2.264 12.203 -2.815 1.00 0.00 C ATOM 0 HA PRO A 90 0.442 12.282 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.810 13.368 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.557 14.176 -1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.499 12.392 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.366 13.897 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.606 11.483 -3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.104 12.863 -2.600 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.818 10.138 -0.393 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.847 9.118 -0.481 1.00 0.00 C ATOM 1311 C GLY A 91 -1.376 7.773 0.036 1.00 0.00 C ATOM 1312 O GLY A 91 -2.132 6.802 0.037 1.00 0.00 O ATOM 0 H GLY A 91 -0.264 10.115 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.720 9.437 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.164 9.014 -1.519 1.00 0.00 H new ATOM 1316 N SER A 92 -0.123 7.716 0.476 1.00 0.00 N ATOM 1317 CA SER A 92 0.450 6.479 0.993 1.00 0.00 C ATOM 1318 C SER A 92 0.043 6.257 2.446 1.00 0.00 C ATOM 1319 O SER A 92 -0.381 7.177 3.146 1.00 0.00 O ATOM 1320 CB SER A 92 1.975 6.511 0.877 1.00 0.00 C ATOM 1321 OG SER A 92 2.407 5.923 -0.337 1.00 0.00 O ATOM 0 H SER A 92 0.515 8.512 0.485 1.00 0.00 H new ATOM 0 HA SER A 92 0.065 5.652 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.325 7.542 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.418 5.980 1.720 1.00 0.00 H new ATOM 0 HG SER A 92 1.655 5.875 -0.963 1.00 0.00 H new ATOM 1327 N PRO A 93 0.174 5.007 2.913 1.00 0.00 N ATOM 1328 CA PRO A 93 0.678 3.904 2.089 1.00 0.00 C ATOM 1329 C PRO A 93 -0.308 3.498 0.999 1.00 0.00 C ATOM 1330 O PRO A 93 -1.416 4.028 0.921 1.00 0.00 O ATOM 1331 CB PRO A 93 0.861 2.765 3.095 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.095 3.073 4.195 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.158 4.573 4.280 1.00 0.00 C ATOM 0 HA PRO A 93 1.592 4.175 1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.644 1.798 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.886 2.722 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.079 2.652 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.243 2.642 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.147 4.917 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.552 4.964 5.009 1.00 0.00 H new ATOM 1341 N PHE A 94 0.103 2.554 0.158 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.745 2.078 -0.929 1.00 0.00 C ATOM 1343 C PHE A 94 -1.295 0.688 -0.620 1.00 0.00 C ATOM 1344 O PHE A 94 -0.545 -0.284 -0.530 1.00 0.00 O ATOM 1345 CB PHE A 94 0.042 2.047 -2.241 1.00 0.00 C ATOM 1346 CG PHE A 94 0.037 3.358 -2.974 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.243 4.548 -2.293 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.173 3.401 -4.343 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.239 5.756 -2.964 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.177 4.607 -5.019 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.028 5.785 -4.329 1.00 0.00 C ATOM 0 H PHE A 94 1.017 2.104 0.208 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.583 2.767 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.073 1.761 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.376 1.276 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.408 4.531 -1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.335 2.483 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.401 6.676 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.340 4.628 -6.086 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.023 6.728 -4.856 1.00 0.00 H new ATOM 1361 N THR A 95 -2.612 0.603 -0.459 1.00 0.00 N ATOM 1362 CA THR A 95 -3.264 -0.666 -0.159 1.00 0.00 C ATOM 1363 C THR A 95 -3.640 -1.407 -1.437 1.00 0.00 C ATOM 1364 O THR A 95 -4.646 -1.094 -2.075 1.00 0.00 O ATOM 1365 CB THR A 95 -4.531 -0.458 0.693 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.197 0.213 1.913 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.196 -1.790 1.006 1.00 0.00 C ATOM 0 H THR A 95 -3.248 1.397 -0.531 1.00 0.00 H new ATOM 0 HA THR A 95 -2.549 -1.264 0.406 1.00 0.00 H new ATOM 0 HB THR A 95 -5.230 0.154 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.008 0.343 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.088 -1.619 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.476 -2.285 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.501 -2.423 1.559 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.827 -2.391 -1.806 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.075 -3.179 -3.007 1.00 0.00 C ATOM 1377 C VAL A 96 -3.737 -4.509 -2.665 1.00 0.00 C ATOM 1378 O VAL A 96 -3.116 -5.388 -2.066 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.771 -3.450 -3.780 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.070 -4.116 -5.115 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -0.994 -2.158 -3.982 1.00 0.00 C ATOM 0 H VAL A 96 -1.990 -2.662 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.746 -2.594 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.155 -4.130 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.137 -4.300 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.582 -5.063 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.706 -3.463 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.075 -2.368 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.602 -1.453 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.747 -1.726 -3.012 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.000 -4.652 -3.051 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.747 -5.876 -2.787 1.00 0.00 C ATOM 1393 C LYS A 97 -5.522 -6.900 -3.895 1.00 0.00 C ATOM 1394 O LYS A 97 -5.773 -6.624 -5.068 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.241 -5.568 -2.659 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.671 -5.218 -1.245 1.00 0.00 C ATOM 1397 CD LYS A 97 -7.059 -3.906 -0.785 1.00 0.00 C ATOM 1398 CE LYS A 97 -7.910 -2.717 -1.205 1.00 0.00 C ATOM 1399 NZ LYS A 97 -7.625 -2.297 -2.605 1.00 0.00 N ATOM 0 H LYS A 97 -5.528 -3.935 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.387 -6.297 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.491 -4.739 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.812 -6.432 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.758 -5.149 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.375 -6.017 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.952 -3.913 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.058 -3.804 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.965 -2.974 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.724 -1.881 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.805 -1.278 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.630 -2.497 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.241 -2.823 -3.257 1.00 0.00 H new ATOM 1413 N ILE A 98 -5.048 -8.082 -3.514 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.792 -9.147 -4.476 1.00 0.00 C ATOM 1415 C ILE A 98 -5.923 -10.169 -4.478 1.00 0.00 C ATOM 1416 O ILE A 98 -6.343 -10.648 -3.425 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.464 -9.868 -4.176 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.316 -8.859 -4.101 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.182 -10.921 -5.237 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.079 -8.116 -5.397 1.00 0.00 C ATOM 0 H ILE A 98 -4.834 -8.326 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.728 -8.678 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.548 -10.366 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.528 -8.138 -3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.402 -9.381 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.241 -11.422 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.989 -11.653 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.114 -10.443 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.251 -7.418 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.836 -8.828 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.979 -7.565 -5.671 1.00 0.00 H new ATOM 1432 N SER A 99 -6.411 -10.500 -5.669 1.00 0.00 N ATOM 1433 CA SER A 99 -7.496 -11.465 -5.809 1.00 0.00 C ATOM 1434 C SER A 99 -7.116 -12.804 -5.186 1.00 0.00 C ATOM 1435 O SER A 99 -7.623 -13.176 -4.129 1.00 0.00 O ATOM 1436 CB SER A 99 -7.847 -11.658 -7.286 1.00 0.00 C ATOM 1437 OG SER A 99 -8.107 -10.415 -7.915 1.00 0.00 O ATOM 0 H SER A 99 -6.073 -10.115 -6.551 1.00 0.00 H new ATOM 0 HA SER A 99 -8.367 -11.074 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.026 -12.162 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.721 -12.304 -7.374 1.00 0.00 H new ATOM 0 HG SER A 99 -8.327 -10.565 -8.858 1.00 0.00 H new