USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 678 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 64 GLN : amide:sc= -2.74 K(o=-22,f=-19) USER MOD Set 1.2: A 78 HIS : no HE2:sc= -18.9! C(o=-22!,f=-22!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ -149:sc= 0.52 (180deg=0) USER MOD Set 2.2: A 66 GLN : amide:sc= 0.473 K(o=-0.17,f=-4.6) USER MOD Set 2.3: A 76 ASN : amide:sc= -1.16 K(o=-0.17,f=-7.7!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 175:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 53 GLN : amide:sc= -8.06! C(o=-6.9!,f=-16!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -16.7! C(o=-17!,f=-12!) USER MOD Set 4.2: A 75 THR OG1 : rot -133:sc= -0.403 USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.343 (180deg=-0.932) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= -0.048 (180deg=-0.048) USER MOD Single : A 17 GLN : amide:sc= -18.9! C(o=-19!,f=-17!) USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= -0.387 (180deg=-1.92!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -105:sc= -7.78! (180deg=-15.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -50:sc= 0.124! USER MOD Single : A 46 MET CE :methyl 146:sc= -3.65! (180deg=-7.31!) USER MOD Single : A 47 TYR OH : rot -87:sc= -3.21! USER MOD Single : A 52 CYS SG : rot 65:sc= -2.15! USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.0623 (180deg=-0.216) USER MOD Single : A 70 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-6.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -12.1! C(o=-12!,f=-6.4!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -7.704 -8.657 -7.633 1.00 0.00 N ATOM 97 CA VAL A 8 -6.820 -7.657 -7.073 1.00 0.00 C ATOM 98 C VAL A 8 -6.266 -6.754 -8.177 1.00 0.00 C ATOM 99 O VAL A 8 -6.249 -7.093 -9.343 1.00 0.00 O ATOM 100 CB VAL A 8 -5.664 -8.349 -6.351 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.215 -9.455 -5.449 1.00 0.00 C ATOM 102 CG2 VAL A 8 -4.711 -8.960 -7.381 1.00 0.00 C ATOM 0 HA VAL A 8 -7.382 -7.044 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.126 -7.620 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.391 -9.949 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.894 -9.021 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.753 -10.184 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.887 -9.453 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.249 -9.689 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.318 -8.173 -8.025 1.00 0.00 H new ATOM 112 N LEU A 9 -5.887 -5.570 -7.792 1.00 0.00 N ATOM 113 CA LEU A 9 -5.421 -4.594 -8.766 1.00 0.00 C ATOM 114 C LEU A 9 -3.883 -4.530 -8.851 1.00 0.00 C ATOM 115 O LEU A 9 -3.347 -4.511 -9.941 1.00 0.00 O ATOM 116 CB LEU A 9 -5.955 -3.213 -8.387 1.00 0.00 C ATOM 117 CG LEU A 9 -5.365 -2.163 -9.331 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.916 -2.378 -10.742 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.749 -0.765 -8.843 1.00 0.00 C ATOM 0 H LEU A 9 -5.887 -5.248 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.793 -4.905 -9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.043 -3.202 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.691 -2.980 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.279 -2.258 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.496 -1.630 -11.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.644 -3.374 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.002 -2.283 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.329 -0.017 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.835 -0.670 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.357 -0.610 -7.838 1.00 0.00 H new ATOM 131 N LEU A 10 -3.144 -4.494 -7.770 1.00 0.00 N ATOM 132 CA LEU A 10 -1.701 -4.432 -7.942 1.00 0.00 C ATOM 133 C LEU A 10 -0.999 -4.893 -6.675 1.00 0.00 C ATOM 134 O LEU A 10 -1.435 -4.630 -5.582 1.00 0.00 O ATOM 135 CB LEU A 10 -1.284 -2.997 -8.265 1.00 0.00 C ATOM 136 CG LEU A 10 0.234 -2.855 -8.132 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.795 -2.170 -9.380 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.561 -2.010 -6.899 1.00 0.00 C ATOM 0 H LEU A 10 -3.485 -4.505 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.415 -5.089 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.595 -2.737 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.784 -2.303 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 10 0.682 -3.843 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.876 -2.069 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.563 -2.770 -10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.346 -1.182 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.642 -1.909 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.112 -1.023 -7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.162 -2.496 -6.009 1.00 0.00 H new ATOM 150 N ILE A 11 0.092 -5.584 -6.813 1.00 0.00 N ATOM 151 CA ILE A 11 0.799 -6.044 -5.639 1.00 0.00 C ATOM 152 C ILE A 11 2.306 -5.910 -5.860 1.00 0.00 C ATOM 153 O ILE A 11 2.820 -6.223 -6.915 1.00 0.00 O ATOM 154 CB ILE A 11 0.450 -7.512 -5.375 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.547 -8.160 -4.508 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.324 -8.253 -6.710 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.706 -8.654 -5.383 1.00 0.00 C ATOM 0 H ILE A 11 0.512 -5.842 -7.706 1.00 0.00 H new ATOM 0 HA ILE A 11 0.505 -5.440 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.499 -7.572 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.916 -7.438 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.128 -8.994 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.076 -9.298 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.463 -7.794 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.270 -8.195 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.470 -9.108 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.336 -9.393 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.137 -7.812 -5.926 1.00 0.00 H new ATOM 169 N VAL A 12 3.021 -5.481 -4.860 1.00 0.00 N ATOM 170 CA VAL A 12 4.452 -5.375 -5.005 1.00 0.00 C ATOM 171 C VAL A 12 5.109 -6.434 -4.117 1.00 0.00 C ATOM 172 O VAL A 12 5.147 -6.324 -2.906 1.00 0.00 O ATOM 173 CB VAL A 12 4.940 -3.980 -4.613 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.879 -3.057 -5.831 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.058 -3.411 -3.506 1.00 0.00 C ATOM 0 H VAL A 12 2.651 -5.203 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 12 4.723 -5.538 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 12 5.967 -4.050 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.227 -2.062 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.515 -3.455 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.851 -2.995 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.413 -2.417 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.029 -3.345 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.101 -4.064 -2.634 1.00 0.00 H new ATOM 185 N LYS A 13 5.631 -7.456 -4.732 1.00 0.00 N ATOM 186 CA LYS A 13 6.291 -8.525 -4.004 1.00 0.00 C ATOM 187 C LYS A 13 7.412 -7.955 -3.149 1.00 0.00 C ATOM 188 O LYS A 13 7.891 -8.564 -2.213 1.00 0.00 O ATOM 189 CB LYS A 13 6.860 -9.519 -5.013 1.00 0.00 C ATOM 190 CG LYS A 13 8.231 -9.050 -5.522 1.00 0.00 C ATOM 191 CD LYS A 13 8.290 -9.201 -7.042 1.00 0.00 C ATOM 192 CE LYS A 13 7.818 -10.602 -7.436 1.00 0.00 C ATOM 193 NZ LYS A 13 6.533 -10.501 -8.183 1.00 0.00 N ATOM 0 H LYS A 13 5.617 -7.581 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 13 5.577 -9.026 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.955 -10.501 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.173 -9.627 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.398 -8.010 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.023 -9.636 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.662 -8.447 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.308 -9.036 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.572 -11.091 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.686 -11.217 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.938 -11.325 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.036 -9.631 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.726 -10.476 -9.205 1.00 0.00 H new ATOM 207 N LYS A 14 7.828 -6.792 -3.481 1.00 0.00 N ATOM 208 CA LYS A 14 8.885 -6.174 -2.729 1.00 0.00 C ATOM 209 C LYS A 14 8.371 -4.901 -2.054 1.00 0.00 C ATOM 210 O LYS A 14 7.966 -3.960 -2.707 1.00 0.00 O ATOM 211 CB LYS A 14 10.037 -5.841 -3.668 1.00 0.00 C ATOM 212 CG LYS A 14 11.226 -6.752 -3.347 1.00 0.00 C ATOM 213 CD LYS A 14 10.749 -8.202 -3.244 1.00 0.00 C ATOM 214 CE LYS A 14 11.930 -9.146 -3.477 1.00 0.00 C ATOM 215 NZ LYS A 14 11.523 -10.229 -4.416 1.00 0.00 N ATOM 0 H LYS A 14 7.466 -6.241 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 14 9.233 -6.860 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.728 -5.977 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.323 -4.795 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.985 -6.663 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.690 -6.444 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.313 -8.384 -2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.967 -8.392 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.775 -8.594 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.258 -9.575 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.326 -10.871 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.729 -10.762 -4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.230 -9.811 -5.322 1.00 0.00 H new ATOM 229 N VAL A 15 8.495 -4.825 -0.756 1.00 0.00 N ATOM 230 CA VAL A 15 8.143 -3.598 -0.088 1.00 0.00 C ATOM 231 C VAL A 15 8.981 -3.475 1.167 1.00 0.00 C ATOM 232 O VAL A 15 9.349 -4.453 1.788 1.00 0.00 O ATOM 233 CB VAL A 15 6.641 -3.505 0.189 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.367 -2.615 1.409 1.00 0.00 C ATOM 235 CG2 VAL A 15 5.995 -2.870 -1.034 1.00 0.00 C ATOM 0 H VAL A 15 8.828 -5.576 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 15 8.362 -2.752 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 15 6.239 -4.498 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.293 -2.563 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.861 -3.036 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.753 -1.613 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.920 -2.786 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.417 -1.878 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.185 -3.491 -1.910 1.00 0.00 H new ATOM 245 N ARG A 16 9.282 -2.282 1.545 1.00 0.00 N ATOM 246 CA ARG A 16 10.070 -2.082 2.725 1.00 0.00 C ATOM 247 C ARG A 16 9.266 -1.245 3.685 1.00 0.00 C ATOM 248 O ARG A 16 8.507 -0.391 3.297 1.00 0.00 O ATOM 249 CB ARG A 16 11.364 -1.352 2.352 1.00 0.00 C ATOM 250 CG ARG A 16 11.996 -0.724 3.599 1.00 0.00 C ATOM 251 CD ARG A 16 13.518 -0.890 3.547 1.00 0.00 C ATOM 252 NE ARG A 16 13.845 -2.238 3.126 1.00 0.00 N ATOM 253 CZ ARG A 16 15.055 -2.528 2.726 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.981 -1.607 2.708 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.339 -3.743 2.342 1.00 0.00 N ATOM 0 H ARG A 16 8.999 -1.429 1.062 1.00 0.00 H new ATOM 0 HA ARG A 16 10.326 -3.037 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.064 -2.050 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.154 -0.579 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.738 0.333 3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.599 -1.198 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.950 -0.167 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.950 -0.689 4.528 1.00 0.00 H new ATOM 0 HE ARG A 16 13.128 -2.963 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.761 -0.657 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.924 -1.838 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.617 -4.464 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.283 -3.972 2.029 1.00 0.00 H new ATOM 269 N GLN A 17 9.430 -1.489 4.932 1.00 0.00 N ATOM 270 CA GLN A 17 8.718 -0.729 5.910 1.00 0.00 C ATOM 271 C GLN A 17 9.614 -0.695 7.140 1.00 0.00 C ATOM 272 O GLN A 17 10.187 -1.700 7.510 1.00 0.00 O ATOM 273 CB GLN A 17 7.359 -1.389 6.191 1.00 0.00 C ATOM 274 CG GLN A 17 7.526 -2.891 6.363 1.00 0.00 C ATOM 275 CD GLN A 17 6.187 -3.524 6.752 1.00 0.00 C ATOM 276 OE1 GLN A 17 6.143 -4.671 7.147 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.086 -2.827 6.660 1.00 0.00 N ATOM 0 H GLN A 17 10.049 -2.207 5.308 1.00 0.00 H new ATOM 0 HA GLN A 17 8.499 0.286 5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.918 -0.960 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.671 -1.184 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.892 -3.333 5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.272 -3.097 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.119 -1.863 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.193 -3.247 6.920 1.00 0.00 H new ATOM 286 N LYS A 18 9.833 0.467 7.700 1.00 0.00 N ATOM 287 CA LYS A 18 10.771 0.591 8.810 1.00 0.00 C ATOM 288 C LYS A 18 10.702 -0.627 9.735 1.00 0.00 C ATOM 289 O LYS A 18 11.660 -0.942 10.413 1.00 0.00 O ATOM 290 CB LYS A 18 10.443 1.853 9.610 1.00 0.00 C ATOM 291 CG LYS A 18 11.725 2.657 9.838 1.00 0.00 C ATOM 292 CD LYS A 18 11.580 4.043 9.205 1.00 0.00 C ATOM 293 CE LYS A 18 12.559 4.176 8.037 1.00 0.00 C ATOM 294 NZ LYS A 18 13.924 3.776 8.483 1.00 0.00 N ATOM 0 H LYS A 18 9.385 1.338 7.417 1.00 0.00 H new ATOM 0 HA LYS A 18 11.779 0.653 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.712 2.458 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.994 1.584 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.922 2.752 10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.577 2.134 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.558 4.190 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.777 4.816 9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.238 3.548 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.570 5.204 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.632 4.376 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.000 3.892 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.093 2.781 8.233 1.00 0.00 H new ATOM 308 N LYS A 19 9.612 -1.334 9.762 1.00 0.00 N ATOM 309 CA LYS A 19 9.556 -2.501 10.606 1.00 0.00 C ATOM 310 C LYS A 19 10.298 -3.676 9.941 1.00 0.00 C ATOM 311 O LYS A 19 11.126 -4.330 10.545 1.00 0.00 O ATOM 312 CB LYS A 19 8.079 -2.894 10.858 1.00 0.00 C ATOM 313 CG LYS A 19 7.394 -3.423 9.570 1.00 0.00 C ATOM 314 CD LYS A 19 5.910 -3.678 9.845 1.00 0.00 C ATOM 315 CE LYS A 19 5.306 -2.471 10.564 1.00 0.00 C ATOM 316 NZ LYS A 19 3.828 -2.637 10.657 1.00 0.00 N ATOM 0 H LYS A 19 8.767 -1.135 9.226 1.00 0.00 H new ATOM 0 HA LYS A 19 10.038 -2.271 11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.034 -3.659 11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.532 -2.029 11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.505 -2.699 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.877 -4.343 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.382 -3.858 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.792 -4.574 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.736 -2.376 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.547 -1.555 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.417 -1.816 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.426 -2.708 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.609 -3.503 11.190 1.00 0.00 H new ATOM 330 N GLN A 20 9.933 -3.988 8.733 1.00 0.00 N ATOM 331 CA GLN A 20 10.485 -5.125 8.034 1.00 0.00 C ATOM 332 C GLN A 20 10.454 -4.878 6.531 1.00 0.00 C ATOM 333 O GLN A 20 9.780 -3.993 6.054 1.00 0.00 O ATOM 334 CB GLN A 20 9.648 -6.360 8.338 1.00 0.00 C ATOM 335 CG GLN A 20 10.559 -7.580 8.425 1.00 0.00 C ATOM 336 CD GLN A 20 10.063 -8.661 7.463 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.651 -8.882 6.424 1.00 0.00 O ATOM 338 NE2 GLN A 20 8.997 -9.351 7.768 1.00 0.00 N ATOM 0 H GLN A 20 9.242 -3.463 8.197 1.00 0.00 H new ATOM 0 HA GLN A 20 11.514 -5.274 8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.110 -6.226 9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.899 -6.506 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.583 -7.300 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.572 -7.965 9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.502 -9.166 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.659 -10.075 7.134 1.00 0.00 H new ATOM 347 N ASP A 21 11.117 -5.689 5.768 1.00 0.00 N ATOM 348 CA ASP A 21 11.034 -5.524 4.339 1.00 0.00 C ATOM 349 C ASP A 21 10.148 -6.697 3.956 1.00 0.00 C ATOM 350 O ASP A 21 10.360 -7.819 4.370 1.00 0.00 O ATOM 351 CB ASP A 21 12.410 -5.651 3.674 1.00 0.00 C ATOM 352 CG ASP A 21 13.437 -4.832 4.457 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.045 -3.845 5.058 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.598 -5.206 4.443 1.00 0.00 O ATOM 0 H ASP A 21 11.708 -6.454 6.092 1.00 0.00 H new ATOM 0 HA ASP A 21 10.660 -4.548 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.714 -6.697 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.360 -5.301 2.643 1.00 0.00 H new ATOM 359 N GLY A 22 9.104 -6.423 3.231 1.00 0.00 N ATOM 360 CA GLY A 22 8.172 -7.474 2.910 1.00 0.00 C ATOM 361 C GLY A 22 7.287 -7.115 1.724 1.00 0.00 C ATOM 362 O GLY A 22 7.294 -6.000 1.233 1.00 0.00 O ATOM 0 H GLY A 22 8.875 -5.503 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.721 -8.389 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.547 -7.681 3.779 1.00 0.00 H new ATOM 366 N ALA A 23 6.629 -8.101 1.189 1.00 0.00 N ATOM 367 CA ALA A 23 5.843 -7.903 -0.001 1.00 0.00 C ATOM 368 C ALA A 23 4.448 -7.365 0.320 1.00 0.00 C ATOM 369 O ALA A 23 3.743 -7.819 1.193 1.00 0.00 O ATOM 370 CB ALA A 23 5.685 -9.254 -0.695 1.00 0.00 C ATOM 0 H ALA A 23 6.619 -9.053 1.555 1.00 0.00 H new ATOM 0 HA ALA A 23 6.353 -7.175 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.092 -9.130 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.668 -9.646 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.182 -9.951 -0.025 1.00 0.00 H new ATOM 376 N LEU A 24 4.139 -6.308 -0.365 1.00 0.00 N ATOM 377 CA LEU A 24 2.903 -5.590 -0.129 1.00 0.00 C ATOM 378 C LEU A 24 1.953 -5.862 -1.294 1.00 0.00 C ATOM 379 O LEU A 24 2.344 -5.930 -2.439 1.00 0.00 O ATOM 380 CB LEU A 24 3.218 -4.092 -0.070 1.00 0.00 C ATOM 381 CG LEU A 24 2.919 -3.518 1.306 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.898 -1.993 1.197 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.560 -4.002 1.801 1.00 0.00 C ATOM 0 H LEU A 24 4.725 -5.912 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 24 2.443 -5.911 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.268 -3.929 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.631 -3.565 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 24 3.684 -3.845 2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.685 -1.561 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.868 -1.640 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.126 -1.689 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.361 -3.582 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.784 -3.680 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.562 -5.090 1.864 1.00 0.00 H new ATOM 395 N TYR A 25 0.703 -6.063 -0.976 1.00 0.00 N ATOM 396 CA TYR A 25 -0.298 -6.381 -1.976 1.00 0.00 C ATOM 397 C TYR A 25 -1.363 -5.293 -2.000 1.00 0.00 C ATOM 398 O TYR A 25 -1.817 -4.853 -0.964 1.00 0.00 O ATOM 399 CB TYR A 25 -1.005 -7.671 -1.550 1.00 0.00 C ATOM 400 CG TYR A 25 -0.403 -8.883 -2.209 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.770 -9.450 -1.700 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.042 -9.458 -3.308 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.307 -10.599 -2.292 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.507 -10.606 -3.909 1.00 0.00 C ATOM 405 CZ TYR A 25 0.669 -11.179 -3.399 1.00 0.00 C ATOM 406 OH TYR A 25 1.195 -12.311 -3.986 1.00 0.00 O ATOM 0 H TYR A 25 0.344 -6.013 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 25 0.183 -6.475 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.944 -7.778 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.063 -7.607 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.262 -9.001 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.949 -9.019 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.211 -11.039 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.998 -11.049 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 25 0.629 -12.582 -4.739 1.00 0.00 H new ATOM 416 N LEU A 26 -1.816 -4.876 -3.145 1.00 0.00 N ATOM 417 CA LEU A 26 -2.868 -3.885 -3.168 1.00 0.00 C ATOM 418 C LEU A 26 -4.097 -4.558 -3.769 1.00 0.00 C ATOM 419 O LEU A 26 -4.028 -5.189 -4.813 1.00 0.00 O ATOM 420 CB LEU A 26 -2.473 -2.672 -4.015 1.00 0.00 C ATOM 421 CG LEU A 26 -3.534 -1.583 -3.849 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.897 -0.213 -4.068 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.646 -1.795 -4.879 1.00 0.00 C ATOM 0 H LEU A 26 -1.489 -5.192 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.063 -3.522 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.497 -2.298 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.387 -2.957 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.952 -1.634 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.653 0.563 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.103 -0.060 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.480 -0.162 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.403 -1.020 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.226 -1.743 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.102 -2.773 -4.726 1.00 0.00 H new ATOM 435 N MET A 27 -5.219 -4.413 -3.131 1.00 0.00 N ATOM 436 CA MET A 27 -6.425 -5.020 -3.636 1.00 0.00 C ATOM 437 C MET A 27 -7.459 -3.930 -3.877 1.00 0.00 C ATOM 438 O MET A 27 -7.444 -2.899 -3.232 1.00 0.00 O ATOM 439 CB MET A 27 -6.951 -6.027 -2.609 1.00 0.00 C ATOM 440 CG MET A 27 -8.319 -6.553 -3.046 1.00 0.00 C ATOM 441 SD MET A 27 -8.391 -8.346 -2.797 1.00 0.00 S ATOM 442 CE MET A 27 -7.494 -8.404 -1.226 1.00 0.00 C ATOM 0 H MET A 27 -5.330 -3.885 -2.266 1.00 0.00 H new ATOM 0 HA MET A 27 -6.223 -5.541 -4.572 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.249 -6.855 -2.507 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.030 -5.553 -1.630 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.107 -6.065 -2.473 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.493 -6.314 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.486 -8.783 -1.396 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.438 -7.402 -0.802 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.017 -9.063 -0.533 1.00 0.00 H new ATOM 452 N ALA A 28 -8.342 -4.149 -4.811 1.00 0.00 N ATOM 453 CA ALA A 28 -9.350 -3.158 -5.127 1.00 0.00 C ATOM 454 C ALA A 28 -9.830 -2.444 -3.861 1.00 0.00 C ATOM 455 O ALA A 28 -9.945 -1.235 -3.841 1.00 0.00 O ATOM 456 CB ALA A 28 -10.537 -3.846 -5.807 1.00 0.00 C ATOM 0 H ALA A 28 -8.390 -5.001 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.913 -2.416 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.299 -3.104 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.201 -4.330 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.958 -4.594 -5.135 1.00 0.00 H new ATOM 462 N GLU A 29 -10.155 -3.158 -2.817 1.00 0.00 N ATOM 463 CA GLU A 29 -10.654 -2.487 -1.633 1.00 0.00 C ATOM 464 C GLU A 29 -9.651 -2.528 -0.468 1.00 0.00 C ATOM 465 O GLU A 29 -9.930 -2.000 0.585 1.00 0.00 O ATOM 466 CB GLU A 29 -11.956 -3.177 -1.207 1.00 0.00 C ATOM 467 CG GLU A 29 -12.434 -2.650 0.153 1.00 0.00 C ATOM 468 CD GLU A 29 -13.926 -2.324 0.073 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.300 -1.567 -0.808 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.670 -2.837 0.893 1.00 0.00 O ATOM 0 H GLU A 29 -10.089 -4.174 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.819 -1.438 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.726 -3.006 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.800 -4.254 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.254 -3.395 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.870 -1.759 0.429 1.00 0.00 H new ATOM 477 N ARG A 30 -8.501 -3.144 -0.585 1.00 0.00 N ATOM 478 CA ARG A 30 -7.634 -3.146 0.590 1.00 0.00 C ATOM 479 C ARG A 30 -6.162 -3.376 0.263 1.00 0.00 C ATOM 480 O ARG A 30 -5.794 -3.809 -0.804 1.00 0.00 O ATOM 481 CB ARG A 30 -8.100 -4.234 1.564 1.00 0.00 C ATOM 482 CG ARG A 30 -7.516 -5.597 1.185 1.00 0.00 C ATOM 483 CD ARG A 30 -8.651 -6.609 1.040 1.00 0.00 C ATOM 484 NE ARG A 30 -9.430 -6.278 -0.139 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.303 -7.129 -0.612 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.464 -8.292 -0.040 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.017 -6.817 -1.659 1.00 0.00 N ATOM 0 H ARG A 30 -8.151 -3.622 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.712 -2.153 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.796 -3.974 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.189 -4.287 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.960 -5.520 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.812 -5.929 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.247 -7.618 0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.285 -6.594 1.927 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.296 -5.378 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.908 -8.539 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.146 -8.953 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.894 -5.910 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.698 -7.481 -2.028 1.00 0.00 H new ATOM 501 N ILE A 31 -5.330 -3.086 1.224 1.00 0.00 N ATOM 502 CA ILE A 31 -3.902 -3.269 1.056 1.00 0.00 C ATOM 503 C ILE A 31 -3.478 -4.467 1.914 1.00 0.00 C ATOM 504 O ILE A 31 -3.996 -4.679 2.992 1.00 0.00 O ATOM 505 CB ILE A 31 -3.169 -1.992 1.502 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.094 -1.018 0.322 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.748 -2.326 1.972 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.058 -1.515 -0.689 1.00 0.00 C ATOM 0 H ILE A 31 -5.609 -2.721 2.135 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.651 -3.458 0.012 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.717 -1.540 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.070 -0.933 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.824 -0.023 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.244 -1.411 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.796 -3.019 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.193 -2.786 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.006 -0.821 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.082 -1.577 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.348 -2.501 -1.052 1.00 0.00 H new ATOM 520 N ALA A 32 -2.570 -5.274 1.435 1.00 0.00 N ATOM 521 CA ALA A 32 -2.172 -6.438 2.202 1.00 0.00 C ATOM 522 C ALA A 32 -0.654 -6.539 2.309 1.00 0.00 C ATOM 523 O ALA A 32 0.080 -6.070 1.467 1.00 0.00 O ATOM 524 CB ALA A 32 -2.714 -7.697 1.524 1.00 0.00 C ATOM 0 H ALA A 32 -2.097 -5.158 0.539 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.580 -6.341 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.417 -8.575 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.802 -7.645 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.310 -7.769 0.514 1.00 0.00 H new ATOM 530 N TRP A 33 -0.192 -7.176 3.345 1.00 0.00 N ATOM 531 CA TRP A 33 1.239 -7.337 3.504 1.00 0.00 C ATOM 532 C TRP A 33 1.585 -8.811 3.615 1.00 0.00 C ATOM 533 O TRP A 33 0.903 -9.567 4.258 1.00 0.00 O ATOM 534 CB TRP A 33 1.736 -6.612 4.737 1.00 0.00 C ATOM 535 CG TRP A 33 3.211 -6.586 4.686 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.929 -6.282 3.589 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.175 -6.901 5.729 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.260 -6.295 3.929 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.465 -6.697 5.209 1.00 0.00 C ATOM 540 CE3 TRP A 33 4.065 -7.318 7.062 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.607 -6.888 5.960 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.220 -7.534 7.829 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.493 -7.315 7.278 1.00 0.00 C ATOM 0 H TRP A 33 -0.764 -7.588 4.083 1.00 0.00 H new ATOM 0 HA TRP A 33 1.725 -6.908 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.338 -5.598 4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.395 -7.118 5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.528 -6.065 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.011 -6.032 3.291 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.090 -7.473 7.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.580 -6.707 5.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.129 -7.871 8.851 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.378 -7.477 7.875 1.00 0.00 H new ATOM 554 N ALA A 34 2.647 -9.218 2.986 1.00 0.00 N ATOM 555 CA ALA A 34 3.036 -10.614 3.045 1.00 0.00 C ATOM 556 C ALA A 34 4.557 -10.779 2.875 1.00 0.00 C ATOM 557 O ALA A 34 5.207 -9.946 2.273 1.00 0.00 O ATOM 558 CB ALA A 34 2.307 -11.382 1.955 1.00 0.00 C ATOM 0 H ALA A 34 3.259 -8.620 2.430 1.00 0.00 H new ATOM 0 HA ALA A 34 2.765 -11.009 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.596 -12.432 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.231 -11.295 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.571 -10.970 0.981 1.00 0.00 H new ATOM 564 N PRO A 35 5.071 -11.878 3.389 1.00 0.00 N ATOM 565 CA PRO A 35 6.524 -12.129 3.234 1.00 0.00 C ATOM 566 C PRO A 35 6.743 -13.307 2.274 1.00 0.00 C ATOM 567 O PRO A 35 6.005 -14.272 2.286 1.00 0.00 O ATOM 568 CB PRO A 35 7.044 -12.485 4.631 1.00 0.00 C ATOM 569 CG PRO A 35 5.832 -12.527 5.582 1.00 0.00 C ATOM 570 CD PRO A 35 4.592 -12.133 4.770 1.00 0.00 C ATOM 0 HA PRO A 35 7.044 -11.262 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.553 -13.449 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.771 -11.746 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.712 -13.524 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.977 -11.842 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.847 -12.929 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.117 -11.245 5.188 1.00 0.00 H new ATOM 678 N THR A 42 -0.131 -11.419 5.163 1.00 0.00 N ATOM 679 CA THR A 42 0.207 -11.160 6.542 1.00 0.00 C ATOM 680 C THR A 42 -0.546 -9.903 7.007 1.00 0.00 C ATOM 681 O THR A 42 -0.589 -9.591 8.180 1.00 0.00 O ATOM 682 CB THR A 42 1.743 -10.956 6.637 1.00 0.00 C ATOM 683 OG1 THR A 42 2.262 -11.790 7.662 1.00 0.00 O ATOM 684 CG2 THR A 42 2.111 -9.497 6.941 1.00 0.00 C ATOM 0 HA THR A 42 -0.080 -11.993 7.183 1.00 0.00 H new ATOM 0 HB THR A 42 2.175 -11.217 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.232 -11.666 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.195 -9.400 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.731 -8.853 6.148 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.669 -9.201 7.892 1.00 0.00 H new ATOM 692 N ILE A 43 -1.152 -9.193 6.091 1.00 0.00 N ATOM 693 CA ILE A 43 -1.893 -8.007 6.478 1.00 0.00 C ATOM 694 C ILE A 43 -2.997 -7.720 5.470 1.00 0.00 C ATOM 695 O ILE A 43 -2.897 -8.074 4.312 1.00 0.00 O ATOM 696 CB ILE A 43 -0.932 -6.816 6.585 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.979 -6.268 8.013 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.295 -5.689 5.590 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.526 -4.813 8.004 1.00 0.00 C ATOM 0 H ILE A 43 -1.152 -9.403 5.093 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.359 -8.174 7.449 1.00 0.00 H new ATOM 0 HB ILE A 43 0.071 -7.165 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.990 -6.344 8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.334 -6.859 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.589 -4.866 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.248 -6.074 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.304 -5.332 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.557 -4.416 9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.493 -4.751 7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.189 -4.229 7.366 1.00 0.00 H new ATOM 711 N SER A 44 -4.023 -7.040 5.896 1.00 0.00 N ATOM 712 CA SER A 44 -5.082 -6.694 4.980 1.00 0.00 C ATOM 713 C SER A 44 -5.925 -5.560 5.573 1.00 0.00 C ATOM 714 O SER A 44 -6.742 -5.774 6.446 1.00 0.00 O ATOM 715 CB SER A 44 -5.964 -7.916 4.723 1.00 0.00 C ATOM 716 OG SER A 44 -5.143 -9.069 4.590 1.00 0.00 O ATOM 0 H SER A 44 -4.152 -6.717 6.855 1.00 0.00 H new ATOM 0 HA SER A 44 -4.648 -6.363 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.668 -8.050 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.554 -7.769 3.818 1.00 0.00 H new ATOM 0 HG SER A 44 -4.424 -8.887 3.949 1.00 0.00 H new ATOM 722 N HIS A 45 -5.744 -4.354 5.095 1.00 0.00 N ATOM 723 CA HIS A 45 -6.532 -3.248 5.613 1.00 0.00 C ATOM 724 C HIS A 45 -7.522 -2.801 4.542 1.00 0.00 C ATOM 725 O HIS A 45 -7.136 -2.287 3.507 1.00 0.00 O ATOM 726 CB HIS A 45 -5.661 -2.038 5.961 1.00 0.00 C ATOM 727 CG HIS A 45 -4.192 -2.348 5.845 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.339 -2.297 6.936 1.00 0.00 N ATOM 729 CD2 HIS A 45 -3.402 -2.651 4.768 1.00 0.00 C ATOM 730 CE1 HIS A 45 -2.097 -2.559 6.490 1.00 0.00 C ATOM 731 NE2 HIS A 45 -2.080 -2.785 5.175 1.00 0.00 N ATOM 0 H HIS A 45 -5.075 -4.109 4.365 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.034 -3.598 6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.910 -1.209 5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.883 -1.711 6.977 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.604 -2.097 7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.754 -2.768 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.220 -2.583 7.120 1.00 0.00 H new ATOM 739 N MET A 46 -8.789 -2.984 4.780 1.00 0.00 N ATOM 740 CA MET A 46 -9.774 -2.581 3.808 1.00 0.00 C ATOM 741 C MET A 46 -9.790 -1.063 3.671 1.00 0.00 C ATOM 742 O MET A 46 -10.210 -0.360 4.553 1.00 0.00 O ATOM 743 CB MET A 46 -11.153 -3.059 4.252 1.00 0.00 C ATOM 744 CG MET A 46 -11.718 -4.025 3.211 1.00 0.00 C ATOM 745 SD MET A 46 -11.600 -5.721 3.832 1.00 0.00 S ATOM 746 CE MET A 46 -11.705 -6.555 2.229 1.00 0.00 C ATOM 0 H MET A 46 -9.166 -3.405 5.629 1.00 0.00 H new ATOM 0 HA MET A 46 -9.520 -3.024 2.845 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.084 -3.552 5.221 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.823 -2.208 4.375 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.757 -3.777 2.996 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.167 -3.930 2.275 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.092 -7.456 2.247 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.741 -6.825 2.027 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.345 -5.887 1.447 1.00 0.00 H new ATOM 756 N TYR A 47 -9.300 -0.578 2.570 1.00 0.00 N ATOM 757 CA TYR A 47 -9.251 0.853 2.318 1.00 0.00 C ATOM 758 C TYR A 47 -10.443 1.564 3.006 1.00 0.00 C ATOM 759 O TYR A 47 -10.272 2.568 3.657 1.00 0.00 O ATOM 760 CB TYR A 47 -9.320 1.077 0.802 1.00 0.00 C ATOM 761 CG TYR A 47 -7.938 1.018 0.166 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.760 0.975 0.941 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.837 1.022 -1.229 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.512 0.939 0.309 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.602 0.983 -1.847 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.432 0.944 -1.086 1.00 0.00 C ATOM 767 OH TYR A 47 -4.201 0.908 -1.708 1.00 0.00 O ATOM 0 H TYR A 47 -8.921 -1.151 1.816 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.327 1.266 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.962 0.321 0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.775 2.046 0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.821 0.970 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.734 1.056 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.609 0.907 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.541 0.983 -2.925 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.858 1.821 -1.808 1.00 0.00 H new ATOM 777 N ALA A 48 -11.640 1.041 2.904 1.00 0.00 N ATOM 778 CA ALA A 48 -12.775 1.688 3.565 1.00 0.00 C ATOM 779 C ALA A 48 -12.634 1.548 5.089 1.00 0.00 C ATOM 780 O ALA A 48 -12.825 2.485 5.838 1.00 0.00 O ATOM 781 CB ALA A 48 -14.075 1.027 3.106 1.00 0.00 C ATOM 0 H ALA A 48 -11.864 0.191 2.386 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.793 2.746 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.921 1.508 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.175 1.132 2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.057 -0.031 3.367 1.00 0.00 H new ATOM 787 N ASP A 49 -12.271 0.379 5.532 1.00 0.00 N ATOM 788 CA ASP A 49 -12.073 0.130 6.951 1.00 0.00 C ATOM 789 C ASP A 49 -10.857 0.921 7.443 1.00 0.00 C ATOM 790 O ASP A 49 -10.562 0.958 8.621 1.00 0.00 O ATOM 791 CB ASP A 49 -11.835 -1.363 7.182 1.00 0.00 C ATOM 792 CG ASP A 49 -13.119 -2.138 6.878 1.00 0.00 C ATOM 793 OD1 ASP A 49 -14.124 -1.500 6.609 1.00 0.00 O ATOM 794 OD2 ASP A 49 -13.075 -3.357 6.919 1.00 0.00 O ATOM 0 H ASP A 49 -12.102 -0.430 4.934 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.960 0.445 7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.025 -1.716 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.528 -1.538 8.213 1.00 0.00 H new ATOM 799 N ILE A 50 -10.158 1.562 6.549 1.00 0.00 N ATOM 800 CA ILE A 50 -9.010 2.330 6.961 1.00 0.00 C ATOM 801 C ILE A 50 -9.145 3.748 6.398 1.00 0.00 C ATOM 802 O ILE A 50 -9.435 3.912 5.235 1.00 0.00 O ATOM 803 CB ILE A 50 -7.750 1.669 6.414 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.773 1.720 4.890 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.704 0.209 6.863 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.598 0.914 4.337 1.00 0.00 C ATOM 0 H ILE A 50 -10.355 1.571 5.548 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.948 2.374 8.048 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.873 2.197 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.714 1.316 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.712 2.753 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.803 -0.264 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.694 0.163 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.582 -0.315 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.613 0.949 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.662 1.338 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.680 -0.122 4.667 1.00 0.00 H new ATOM 818 N LYS A 51 -8.937 4.794 7.163 1.00 0.00 N ATOM 819 CA LYS A 51 -9.077 6.090 6.539 1.00 0.00 C ATOM 820 C LYS A 51 -8.128 7.113 7.129 1.00 0.00 C ATOM 821 O LYS A 51 -8.351 7.675 8.182 1.00 0.00 O ATOM 822 CB LYS A 51 -10.488 6.620 6.719 1.00 0.00 C ATOM 823 CG LYS A 51 -10.560 7.981 6.026 1.00 0.00 C ATOM 824 CD LYS A 51 -9.986 7.871 4.609 1.00 0.00 C ATOM 825 CE LYS A 51 -10.421 9.086 3.788 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.313 10.081 3.748 1.00 0.00 N ATOM 0 H LYS A 51 -8.687 4.784 8.152 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.845 5.947 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.214 5.931 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.729 6.716 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.594 8.324 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.001 8.721 6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.898 7.816 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.334 6.954 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.685 8.779 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.312 9.535 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.576 10.868 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.139 10.445 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.450 9.625 3.388 1.00 0.00 H new ATOM 840 N CYS A 52 -7.104 7.388 6.402 1.00 0.00 N ATOM 841 CA CYS A 52 -6.151 8.381 6.790 1.00 0.00 C ATOM 842 C CYS A 52 -5.007 8.323 5.807 1.00 0.00 C ATOM 843 O CYS A 52 -4.430 7.282 5.611 1.00 0.00 O ATOM 844 CB CYS A 52 -5.628 8.090 8.166 1.00 0.00 C ATOM 845 SG CYS A 52 -6.418 9.188 9.371 1.00 0.00 S ATOM 0 H CYS A 52 -6.897 6.930 5.514 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.618 9.366 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.823 7.050 8.426 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.547 8.227 8.190 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.690 8.926 9.428 1.00 0.00 H new ATOM 851 N GLN A 53 -4.724 9.371 5.130 1.00 0.00 N ATOM 852 CA GLN A 53 -3.685 9.251 4.133 1.00 0.00 C ATOM 853 C GLN A 53 -2.826 10.499 4.065 1.00 0.00 C ATOM 854 O GLN A 53 -3.272 11.604 3.830 1.00 0.00 O ATOM 855 CB GLN A 53 -4.324 9.006 2.766 1.00 0.00 C ATOM 856 CG GLN A 53 -4.912 7.595 2.722 1.00 0.00 C ATOM 857 CD GLN A 53 -6.434 7.671 2.869 1.00 0.00 C ATOM 858 OE1 GLN A 53 -7.013 8.733 2.761 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.109 6.581 3.111 1.00 0.00 N ATOM 0 H GLN A 53 -5.162 10.287 5.225 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.045 8.414 4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.106 9.743 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.580 9.126 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.651 7.110 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.489 6.988 3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.622 5.689 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.123 6.621 3.210 1.00 0.00 H new ATOM 868 N LYS A 54 -1.565 10.270 4.301 1.00 0.00 N ATOM 869 CA LYS A 54 -0.574 11.312 4.306 1.00 0.00 C ATOM 870 C LYS A 54 0.489 10.955 3.259 1.00 0.00 C ATOM 871 O LYS A 54 1.066 9.887 3.297 1.00 0.00 O ATOM 872 CB LYS A 54 0.035 11.351 5.722 1.00 0.00 C ATOM 873 CG LYS A 54 1.553 11.563 5.674 1.00 0.00 C ATOM 874 CD LYS A 54 2.000 12.339 6.915 1.00 0.00 C ATOM 875 CE LYS A 54 3.519 12.236 7.064 1.00 0.00 C ATOM 876 NZ LYS A 54 3.861 10.995 7.814 1.00 0.00 N ATOM 0 H LYS A 54 -1.190 9.342 4.498 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.992 12.289 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.428 12.153 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.187 10.419 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.064 10.601 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.826 12.110 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.703 13.384 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.509 11.940 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.991 12.222 6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.904 13.110 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.732 11.149 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.083 10.755 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.007 10.213 7.144 1.00 0.00 H new ATOM 988 N LYS A 62 12.457 7.791 -0.795 1.00 0.00 N ATOM 989 CA LYS A 62 11.963 7.244 -2.034 1.00 0.00 C ATOM 990 C LYS A 62 10.446 7.281 -2.033 1.00 0.00 C ATOM 991 O LYS A 62 9.813 7.997 -2.783 1.00 0.00 O ATOM 992 CB LYS A 62 12.452 5.808 -2.263 1.00 0.00 C ATOM 993 CG LYS A 62 12.808 5.146 -0.939 1.00 0.00 C ATOM 994 CD LYS A 62 14.315 4.901 -0.858 1.00 0.00 C ATOM 995 CE LYS A 62 14.789 4.186 -2.126 1.00 0.00 C ATOM 996 NZ LYS A 62 15.770 5.047 -2.844 1.00 0.00 N ATOM 0 HA LYS A 62 12.351 7.854 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.678 5.231 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.323 5.815 -2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.490 5.779 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.273 4.201 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.842 5.848 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.549 4.299 0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.247 3.231 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.939 3.968 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.811 4.766 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.474 6.042 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.710 4.935 -2.414 1.00 0.00 H new ATOM 1010 N ILE A 63 9.876 6.454 -1.232 1.00 0.00 N ATOM 1011 CA ILE A 63 8.427 6.371 -1.220 1.00 0.00 C ATOM 1012 C ILE A 63 7.847 5.650 0.011 1.00 0.00 C ATOM 1013 O ILE A 63 7.498 4.490 -0.042 1.00 0.00 O ATOM 1014 CB ILE A 63 7.968 5.732 -2.531 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.600 5.061 -2.362 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.001 4.695 -2.999 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.819 5.151 -3.674 1.00 0.00 C ATOM 0 H ILE A 63 10.360 5.832 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 63 8.034 7.384 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 63 7.877 6.518 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.729 4.018 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.042 5.546 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.667 4.244 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.962 5.184 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.108 3.920 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.847 4.674 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.678 6.198 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.375 4.646 -4.464 1.00 0.00 H new ATOM 1029 N GLN A 64 7.692 6.354 1.101 1.00 0.00 N ATOM 1030 CA GLN A 64 7.088 5.755 2.281 1.00 0.00 C ATOM 1031 C GLN A 64 5.723 6.415 2.480 1.00 0.00 C ATOM 1032 O GLN A 64 5.619 7.625 2.511 1.00 0.00 O ATOM 1033 CB GLN A 64 7.945 5.991 3.527 1.00 0.00 C ATOM 1034 CG GLN A 64 8.474 7.429 3.539 1.00 0.00 C ATOM 1035 CD GLN A 64 9.979 7.424 3.257 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.776 7.615 4.153 1.00 0.00 O ATOM 1037 NE2 GLN A 64 10.405 7.214 2.041 1.00 0.00 N ATOM 0 H GLN A 64 7.968 7.330 1.205 1.00 0.00 H new ATOM 0 HA GLN A 64 6.999 4.678 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.355 5.805 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.778 5.289 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.955 8.025 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.276 7.892 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.737 7.053 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.406 7.211 1.845 1.00 0.00 H new ATOM 1046 N LEU A 65 4.669 5.656 2.596 1.00 0.00 N ATOM 1047 CA LEU A 65 3.373 6.290 2.752 1.00 0.00 C ATOM 1048 C LEU A 65 2.779 6.023 4.142 1.00 0.00 C ATOM 1049 O LEU A 65 3.235 5.162 4.874 1.00 0.00 O ATOM 1050 CB LEU A 65 2.416 5.826 1.642 1.00 0.00 C ATOM 1051 CG LEU A 65 2.366 4.292 1.516 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.591 3.787 0.755 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.324 3.634 2.893 1.00 0.00 C ATOM 0 H LEU A 65 4.668 4.636 2.587 1.00 0.00 H new ATOM 0 HA LEU A 65 3.510 7.368 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.415 6.204 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.730 6.256 0.691 1.00 0.00 H new ATOM 0 HG LEU A 65 1.460 4.028 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.545 2.701 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.607 4.227 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.496 4.072 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.289 2.551 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.216 3.910 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.437 3.970 3.430 1.00 0.00 H new ATOM 1065 N GLN A 66 1.762 6.772 4.508 1.00 0.00 N ATOM 1066 CA GLN A 66 1.148 6.594 5.814 1.00 0.00 C ATOM 1067 C GLN A 66 -0.382 6.502 5.680 1.00 0.00 C ATOM 1068 O GLN A 66 -1.017 7.317 5.043 1.00 0.00 O ATOM 1069 CB GLN A 66 1.506 7.783 6.708 1.00 0.00 C ATOM 1070 CG GLN A 66 1.910 7.278 8.094 1.00 0.00 C ATOM 1071 CD GLN A 66 2.415 8.451 8.937 1.00 0.00 C ATOM 1072 OE1 GLN A 66 1.782 9.486 9.001 1.00 0.00 O ATOM 1073 NE2 GLN A 66 3.539 8.333 9.591 1.00 0.00 N ATOM 0 H GLN A 66 1.344 7.502 3.931 1.00 0.00 H new ATOM 0 HA GLN A 66 1.520 5.670 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.323 8.352 6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.655 8.459 6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.058 6.805 8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.688 6.520 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.071 7.464 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.885 9.109 10.155 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.959 5.496 6.278 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.394 5.315 6.202 1.00 0.00 C ATOM 1084 C LEU A 67 -2.921 4.978 7.593 1.00 0.00 C ATOM 1085 O LEU A 67 -2.337 4.187 8.305 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.723 4.170 5.231 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.181 4.283 4.767 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.317 3.751 3.337 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.078 3.457 5.687 1.00 0.00 C ATOM 0 H LEU A 67 -0.466 4.789 6.823 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.863 6.230 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.054 4.207 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.561 3.209 5.719 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.480 5.331 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.355 3.835 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.682 4.334 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.011 2.705 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.113 3.539 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.768 2.412 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.994 3.830 6.708 1.00 0.00 H new ATOM 1101 N VAL A 68 -4.023 5.549 7.992 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.536 5.221 9.305 1.00 0.00 C ATOM 1103 C VAL A 68 -5.876 4.540 9.175 1.00 0.00 C ATOM 1104 O VAL A 68 -6.557 4.605 8.167 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.648 6.426 10.236 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.566 5.941 11.679 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.482 7.361 10.009 1.00 0.00 C ATOM 0 H VAL A 68 -4.571 6.221 7.455 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.812 4.547 9.763 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.590 6.938 10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.645 6.793 12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.382 5.245 11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.613 5.437 11.840 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.568 8.219 10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.549 6.835 10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.487 7.704 8.975 1.00 0.00 H new ATOM 1117 N LEU A 69 -6.217 3.838 10.185 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.427 3.074 10.183 1.00 0.00 C ATOM 1119 C LEU A 69 -8.564 3.903 10.766 1.00 0.00 C ATOM 1120 O LEU A 69 -8.346 4.720 11.638 1.00 0.00 O ATOM 1121 CB LEU A 69 -7.151 1.832 11.044 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.930 1.028 10.494 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.361 -0.336 10.003 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.248 1.716 9.307 1.00 0.00 C ATOM 0 H LEU A 69 -5.672 3.768 11.045 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.725 2.786 9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.958 2.135 12.073 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.034 1.193 11.060 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.234 0.959 11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.494 -0.877 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.807 -0.895 10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.093 -0.220 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.407 1.110 8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.963 1.830 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.887 2.698 9.614 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.782 3.694 10.307 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.899 4.447 10.858 1.00 0.00 C ATOM 1138 C HIS A 70 -10.718 4.446 12.373 1.00 0.00 C ATOM 1139 O HIS A 70 -11.041 5.387 13.072 1.00 0.00 O ATOM 1140 CB HIS A 70 -12.217 3.764 10.490 1.00 0.00 C ATOM 1141 CG HIS A 70 -12.698 4.285 9.164 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -13.675 5.263 9.064 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -12.345 3.974 7.875 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -13.875 5.503 7.755 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -13.090 4.744 6.987 1.00 0.00 N ATOM 0 H HIS A 70 -10.024 3.028 9.573 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.925 5.463 10.464 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.078 2.684 10.440 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.965 3.953 11.260 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.602 3.243 7.593 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -14.584 6.222 7.372 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -13.046 4.731 5.968 1.00 0.00 H new ATOM 1153 N ALA A 71 -10.142 3.379 12.855 1.00 0.00 N ATOM 1154 CA ALA A 71 -9.858 3.261 14.261 1.00 0.00 C ATOM 1155 C ALA A 71 -8.576 4.050 14.543 1.00 0.00 C ATOM 1156 O ALA A 71 -8.354 5.103 13.980 1.00 0.00 O ATOM 1157 CB ALA A 71 -9.657 1.789 14.627 1.00 0.00 C ATOM 0 H ALA A 71 -9.859 2.576 12.294 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.685 3.652 14.854 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.442 1.705 15.692 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.563 1.229 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.822 1.383 14.056 1.00 0.00 H new ATOM 1163 N GLY A 72 -7.750 3.578 15.429 1.00 0.00 N ATOM 1164 CA GLY A 72 -6.539 4.312 15.760 1.00 0.00 C ATOM 1165 C GLY A 72 -5.314 3.479 15.405 1.00 0.00 C ATOM 1166 O GLY A 72 -4.453 3.227 16.225 1.00 0.00 O ATOM 0 H GLY A 72 -7.878 2.702 15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.516 5.257 15.217 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.529 4.554 16.823 1.00 0.00 H new ATOM 1170 N ASP A 73 -5.251 3.036 14.192 1.00 0.00 N ATOM 1171 CA ASP A 73 -4.133 2.215 13.784 1.00 0.00 C ATOM 1172 C ASP A 73 -3.523 2.800 12.523 1.00 0.00 C ATOM 1173 O ASP A 73 -4.214 3.207 11.614 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.611 0.787 13.519 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.599 -0.006 14.827 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -4.685 0.615 15.874 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.504 -1.221 14.760 1.00 0.00 O ATOM 0 H ASP A 73 -5.945 3.219 13.467 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.383 2.194 14.575 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.617 0.801 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.965 0.306 12.784 1.00 0.00 H new ATOM 1182 N THR A 74 -2.227 2.867 12.474 1.00 0.00 N ATOM 1183 CA THR A 74 -1.585 3.442 11.319 1.00 0.00 C ATOM 1184 C THR A 74 -0.902 2.353 10.506 1.00 0.00 C ATOM 1185 O THR A 74 -0.459 1.347 11.025 1.00 0.00 O ATOM 1186 CB THR A 74 -0.543 4.465 11.774 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.805 4.839 13.120 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.612 5.701 10.876 1.00 0.00 C ATOM 0 H THR A 74 -1.597 2.538 13.205 1.00 0.00 H new ATOM 0 HA THR A 74 -2.337 3.932 10.700 1.00 0.00 H new ATOM 0 HB THR A 74 0.452 4.025 11.706 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.137 5.493 13.414 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.131 6.429 11.201 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.410 5.413 9.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.606 6.143 10.941 1.00 0.00 H new ATOM 1196 N THR A 75 -0.793 2.571 9.232 1.00 0.00 N ATOM 1197 CA THR A 75 -0.135 1.620 8.374 1.00 0.00 C ATOM 1198 C THR A 75 0.997 2.376 7.685 1.00 0.00 C ATOM 1199 O THR A 75 0.757 3.244 6.869 1.00 0.00 O ATOM 1200 CB THR A 75 -1.123 1.095 7.328 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.337 0.729 7.970 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.529 -0.126 6.624 1.00 0.00 C ATOM 0 H THR A 75 -1.150 3.400 8.757 1.00 0.00 H new ATOM 0 HA THR A 75 0.242 0.768 8.939 1.00 0.00 H new ATOM 0 HB THR A 75 -1.319 1.874 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.618 -0.156 7.657 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.235 -0.497 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.402 0.155 6.132 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.330 -0.908 7.357 1.00 0.00 H new ATOM 1210 N ASN A 76 2.224 2.082 8.002 1.00 0.00 N ATOM 1211 CA ASN A 76 3.308 2.803 7.372 1.00 0.00 C ATOM 1212 C ASN A 76 4.041 1.872 6.423 1.00 0.00 C ATOM 1213 O ASN A 76 4.384 0.760 6.773 1.00 0.00 O ATOM 1214 CB ASN A 76 4.286 3.293 8.436 1.00 0.00 C ATOM 1215 CG ASN A 76 3.548 4.170 9.450 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.343 4.082 9.582 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.224 5.018 10.175 1.00 0.00 N ATOM 0 H ASN A 76 2.503 1.368 8.675 1.00 0.00 H new ATOM 0 HA ASN A 76 2.905 3.655 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.744 2.443 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.092 3.859 7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.741 5.608 10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.235 5.091 10.064 1.00 0.00 H new ATOM 1224 N PHE A 77 4.289 2.305 5.226 1.00 0.00 N ATOM 1225 CA PHE A 77 4.983 1.436 4.310 1.00 0.00 C ATOM 1226 C PHE A 77 6.033 2.212 3.509 1.00 0.00 C ATOM 1227 O PHE A 77 6.034 3.423 3.440 1.00 0.00 O ATOM 1228 CB PHE A 77 3.984 0.751 3.380 1.00 0.00 C ATOM 1229 CG PHE A 77 3.949 -0.725 3.700 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.141 -1.445 3.719 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.736 -1.379 3.968 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.140 -2.802 3.998 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.736 -2.746 4.250 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.947 -3.452 4.261 1.00 0.00 C ATOM 0 H PHE A 77 4.034 3.223 4.862 1.00 0.00 H new ATOM 0 HA PHE A 77 5.504 0.670 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.993 1.187 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.271 0.904 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.074 -0.941 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.808 -0.827 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.069 -3.352 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.808 -3.257 4.459 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.949 -4.510 4.476 1.00 0.00 H new ATOM 1244 N HIS A 78 6.953 1.479 2.961 1.00 0.00 N ATOM 1245 CA HIS A 78 8.059 2.051 2.216 1.00 0.00 C ATOM 1246 C HIS A 78 8.383 1.138 1.034 1.00 0.00 C ATOM 1247 O HIS A 78 7.912 0.022 0.951 1.00 0.00 O ATOM 1248 CB HIS A 78 9.292 2.220 3.123 1.00 0.00 C ATOM 1249 CG HIS A 78 10.398 2.895 2.353 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.414 2.169 1.761 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.657 4.214 2.039 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.217 3.037 1.129 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.805 4.290 1.278 1.00 0.00 N ATOM 0 H HIS A 78 6.968 0.460 3.012 1.00 0.00 H new ATOM 0 HA HIS A 78 7.779 3.038 1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.032 2.812 4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.627 1.247 3.483 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.532 1.156 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.054 5.057 2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.093 2.751 0.566 1.00 0.00 H new ATOM 1261 N PHE A 79 9.207 1.589 0.139 1.00 0.00 N ATOM 1262 CA PHE A 79 9.578 0.759 -0.982 1.00 0.00 C ATOM 1263 C PHE A 79 11.088 0.860 -1.191 1.00 0.00 C ATOM 1264 O PHE A 79 11.684 1.884 -0.959 1.00 0.00 O ATOM 1265 CB PHE A 79 8.879 1.235 -2.233 1.00 0.00 C ATOM 1266 CG PHE A 79 7.386 0.980 -2.151 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.576 1.842 -1.403 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.804 -0.090 -2.848 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.191 1.641 -1.353 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.426 -0.291 -2.792 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.619 0.571 -2.051 1.00 0.00 C ATOM 0 H PHE A 79 9.635 2.515 0.155 1.00 0.00 H new ATOM 0 HA PHE A 79 9.289 -0.272 -0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.063 2.300 -2.374 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.292 0.723 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.020 2.665 -0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.424 -0.758 -3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.567 2.309 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.981 -1.118 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.551 0.413 -2.015 1.00 0.00 H new ATOM 1346 N ALA A 85 13.395 0.891 -6.746 1.00 0.00 N ATOM 1347 CA ALA A 85 13.018 1.806 -5.687 1.00 0.00 C ATOM 1348 C ALA A 85 12.458 3.135 -6.233 1.00 0.00 C ATOM 1349 O ALA A 85 12.516 4.138 -5.551 1.00 0.00 O ATOM 1350 CB ALA A 85 14.230 2.090 -4.799 1.00 0.00 C ATOM 0 HA ALA A 85 12.227 1.328 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.945 2.778 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.587 1.158 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.023 2.537 -5.398 1.00 0.00 H new ATOM 1356 N VAL A 86 11.957 3.201 -7.442 1.00 0.00 N ATOM 1357 CA VAL A 86 11.483 4.498 -7.922 1.00 0.00 C ATOM 1358 C VAL A 86 10.103 4.401 -8.610 1.00 0.00 C ATOM 1359 O VAL A 86 9.152 3.938 -8.018 1.00 0.00 O ATOM 1360 CB VAL A 86 12.520 5.068 -8.892 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.837 5.304 -8.152 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.750 4.074 -10.033 1.00 0.00 C ATOM 0 H VAL A 86 11.864 2.421 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 86 11.359 5.158 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 86 12.157 6.012 -9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.575 5.710 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.675 6.010 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.201 4.360 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.489 4.479 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.113 3.130 -9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.812 3.904 -10.562 1.00 0.00 H new ATOM 1372 N LYS A 87 9.985 4.875 -9.842 1.00 0.00 N ATOM 1373 CA LYS A 87 8.701 4.863 -10.548 1.00 0.00 C ATOM 1374 C LYS A 87 7.883 3.633 -10.161 1.00 0.00 C ATOM 1375 O LYS A 87 6.726 3.730 -9.815 1.00 0.00 O ATOM 1376 CB LYS A 87 8.956 4.846 -12.057 1.00 0.00 C ATOM 1377 CG LYS A 87 9.669 6.135 -12.470 1.00 0.00 C ATOM 1378 CD LYS A 87 10.706 5.822 -13.551 1.00 0.00 C ATOM 1379 CE LYS A 87 10.906 7.052 -14.439 1.00 0.00 C ATOM 1380 NZ LYS A 87 9.949 7.001 -15.580 1.00 0.00 N ATOM 0 H LYS A 87 10.757 5.273 -10.377 1.00 0.00 H new ATOM 0 HA LYS A 87 8.141 5.756 -10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.563 3.981 -12.324 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.013 4.752 -12.595 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.945 6.859 -12.844 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.155 6.587 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.651 5.535 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.375 4.976 -14.153 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.749 7.962 -13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.930 7.083 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.084 7.837 -16.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.119 6.140 -16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.975 6.991 -15.216 1.00 0.00 H new ATOM 1394 N GLU A 88 8.481 2.489 -10.186 1.00 0.00 N ATOM 1395 CA GLU A 88 7.772 1.279 -9.791 1.00 0.00 C ATOM 1396 C GLU A 88 7.022 1.533 -8.480 1.00 0.00 C ATOM 1397 O GLU A 88 5.804 1.586 -8.419 1.00 0.00 O ATOM 1398 CB GLU A 88 8.780 0.157 -9.523 1.00 0.00 C ATOM 1399 CG GLU A 88 10.158 0.735 -9.188 1.00 0.00 C ATOM 1400 CD GLU A 88 11.089 0.573 -10.391 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.737 -0.172 -11.292 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.138 1.195 -10.392 1.00 0.00 O ATOM 0 H GLU A 88 9.450 2.348 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 88 7.084 1.002 -10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.430 -0.463 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.854 -0.489 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.067 1.789 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.576 0.225 -8.320 1.00 0.00 H new ATOM 1409 N ARG A 89 7.774 1.710 -7.435 1.00 0.00 N ATOM 1410 CA ARG A 89 7.195 1.978 -6.141 1.00 0.00 C ATOM 1411 C ARG A 89 6.380 3.252 -6.268 1.00 0.00 C ATOM 1412 O ARG A 89 5.187 3.286 -6.014 1.00 0.00 O ATOM 1413 CB ARG A 89 8.316 2.188 -5.122 1.00 0.00 C ATOM 1414 CG ARG A 89 9.409 1.128 -5.320 1.00 0.00 C ATOM 1415 CD ARG A 89 8.796 -0.267 -5.180 1.00 0.00 C ATOM 1416 NE ARG A 89 9.208 -1.101 -6.292 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.065 -2.399 -6.228 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.562 -2.953 -5.157 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.426 -3.144 -7.236 1.00 0.00 N ATOM 0 H ARG A 89 8.793 1.675 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 89 6.569 1.149 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.740 3.186 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.916 2.125 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.865 1.240 -6.304 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.201 1.265 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.110 -0.719 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.709 -0.195 -5.152 1.00 0.00 H new ATOM 0 HE ARG A 89 9.610 -0.674 -7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.279 -2.373 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.452 -3.966 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.819 -2.714 -8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.315 -4.157 -7.187 1.00 0.00 H new ATOM 1433 N ASP A 90 7.052 4.302 -6.655 1.00 0.00 N ATOM 1434 CA ASP A 90 6.399 5.594 -6.821 1.00 0.00 C ATOM 1435 C ASP A 90 4.995 5.367 -7.386 1.00 0.00 C ATOM 1436 O ASP A 90 4.041 6.021 -7.009 1.00 0.00 O ATOM 1437 CB ASP A 90 7.209 6.459 -7.788 1.00 0.00 C ATOM 1438 CG ASP A 90 8.133 7.385 -6.995 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.688 8.460 -6.628 1.00 0.00 O ATOM 1440 OD2 ASP A 90 9.269 7.004 -6.768 1.00 0.00 O ATOM 0 H ASP A 90 8.050 4.300 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 90 6.334 6.103 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.796 5.826 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.539 7.047 -8.415 1.00 0.00 H new ATOM 1445 N ALA A 91 4.865 4.416 -8.272 1.00 0.00 N ATOM 1446 CA ALA A 91 3.570 4.117 -8.834 1.00 0.00 C ATOM 1447 C ALA A 91 2.693 3.530 -7.732 1.00 0.00 C ATOM 1448 O ALA A 91 1.610 4.017 -7.477 1.00 0.00 O ATOM 1449 CB ALA A 91 3.723 3.101 -9.967 1.00 0.00 C ATOM 0 H ALA A 91 5.631 3.838 -8.619 1.00 0.00 H new ATOM 0 HA ALA A 91 3.115 5.023 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.744 2.877 -10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.367 3.515 -10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.168 2.185 -9.577 1.00 0.00 H new ATOM 1455 N VAL A 92 3.153 2.485 -7.073 1.00 0.00 N ATOM 1456 CA VAL A 92 2.350 1.891 -6.004 1.00 0.00 C ATOM 1457 C VAL A 92 1.718 3.009 -5.181 1.00 0.00 C ATOM 1458 O VAL A 92 0.520 3.053 -4.987 1.00 0.00 O ATOM 1459 CB VAL A 92 3.209 1.042 -5.064 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.288 0.192 -4.188 1.00 0.00 C ATOM 1461 CG2 VAL A 92 4.126 0.117 -5.856 1.00 0.00 C ATOM 0 H VAL A 92 4.052 2.034 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 92 1.593 1.256 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 92 3.822 1.705 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.889 -0.418 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.637 0.844 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.681 -0.456 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.727 -0.477 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.525 -0.547 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.783 0.712 -6.491 1.00 0.00 H new ATOM 1471 N LYS A 93 2.520 3.927 -4.714 1.00 0.00 N ATOM 1472 CA LYS A 93 1.977 5.028 -3.945 1.00 0.00 C ATOM 1473 C LYS A 93 0.866 5.674 -4.776 1.00 0.00 C ATOM 1474 O LYS A 93 -0.284 5.750 -4.349 1.00 0.00 O ATOM 1475 CB LYS A 93 3.091 6.040 -3.653 1.00 0.00 C ATOM 1476 CG LYS A 93 2.487 7.393 -3.274 1.00 0.00 C ATOM 1477 CD LYS A 93 3.364 8.067 -2.217 1.00 0.00 C ATOM 1478 CE LYS A 93 4.000 9.326 -2.809 1.00 0.00 C ATOM 1479 NZ LYS A 93 5.136 8.941 -3.692 1.00 0.00 N ATOM 0 H LYS A 93 3.531 3.942 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 93 1.573 4.681 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.721 5.675 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.731 6.151 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.410 8.028 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.476 7.257 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.765 8.325 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.139 7.379 -1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.259 9.888 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.352 9.979 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.568 9.797 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.846 8.422 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.787 8.335 -4.462 1.00 0.00 H new ATOM 1493 N ASP A 94 1.206 6.108 -5.977 1.00 0.00 N ATOM 1494 CA ASP A 94 0.224 6.712 -6.869 1.00 0.00 C ATOM 1495 C ASP A 94 -1.097 5.964 -6.719 1.00 0.00 C ATOM 1496 O ASP A 94 -2.095 6.513 -6.296 1.00 0.00 O ATOM 1497 CB ASP A 94 0.713 6.594 -8.314 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.091 7.543 -9.205 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.237 8.695 -8.829 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.546 7.103 -10.247 1.00 0.00 O ATOM 0 H ASP A 94 2.150 6.055 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 94 0.088 7.764 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.774 6.837 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.601 5.568 -8.664 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.096 4.709 -7.054 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.307 3.920 -6.929 1.00 0.00 C ATOM 1507 C LEU A 95 -2.961 4.211 -5.581 1.00 0.00 C ATOM 1508 O LEU A 95 -4.131 4.525 -5.518 1.00 0.00 O ATOM 1509 CB LEU A 95 -1.996 2.422 -6.998 1.00 0.00 C ATOM 1510 CG LEU A 95 -0.757 2.167 -7.851 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -0.594 0.663 -8.041 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -0.922 2.840 -9.216 1.00 0.00 C ATOM 0 H LEU A 95 -0.286 4.204 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.972 4.186 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.838 2.032 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.848 1.887 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 95 0.123 2.578 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.289 0.467 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.478 0.184 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.476 0.262 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.035 2.656 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.798 2.431 -9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.051 3.914 -9.079 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.226 4.092 -4.497 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.797 4.340 -3.179 1.00 0.00 C ATOM 1526 C LEU A 96 -3.740 5.542 -3.222 1.00 0.00 C ATOM 1527 O LEU A 96 -4.933 5.415 -3.021 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.666 4.630 -2.185 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.636 3.492 -2.198 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.174 3.526 -0.902 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.350 2.143 -2.313 1.00 0.00 C ATOM 0 H LEU A 96 -1.241 3.828 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.358 3.458 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.180 5.571 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.076 4.746 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 96 0.029 3.621 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.906 2.719 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.690 4.483 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.496 3.401 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.612 1.341 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.019 2.012 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.928 2.115 -3.237 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.221 6.713 -3.481 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.097 7.882 -3.527 1.00 0.00 C ATOM 1545 C GLN A 97 -5.004 7.808 -4.753 1.00 0.00 C ATOM 1546 O GLN A 97 -5.875 8.632 -4.952 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.292 9.169 -3.596 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.527 9.252 -4.913 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.034 9.182 -4.624 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.390 10.188 -4.399 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.459 8.022 -4.621 1.00 0.00 N ATOM 0 H GLN A 97 -2.233 6.894 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.694 7.884 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.958 10.027 -3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.594 9.213 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.822 8.435 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.767 10.181 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.005 7.182 -4.811 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.540 7.949 -4.429 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.818 6.812 -5.555 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.643 6.638 -6.727 1.00 0.00 C ATOM 1562 C GLN A 98 -6.901 5.851 -6.327 1.00 0.00 C ATOM 1563 O GLN A 98 -7.967 6.046 -6.876 1.00 0.00 O ATOM 1564 CB GLN A 98 -4.849 5.863 -7.778 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.375 6.203 -9.174 1.00 0.00 C ATOM 1566 CD GLN A 98 -5.857 4.925 -9.862 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.044 4.684 -9.960 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -4.980 4.089 -10.346 1.00 0.00 N ATOM 0 H GLN A 98 -4.101 6.098 -5.428 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.936 7.603 -7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.791 6.114 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.936 4.792 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.192 6.920 -9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.590 6.673 -9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.984 4.291 -10.264 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.291 3.234 -10.806 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.784 4.973 -5.358 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.943 4.208 -4.917 1.00 0.00 C ATOM 1579 C LEU A 99 -8.611 4.959 -3.771 1.00 0.00 C ATOM 1580 O LEU A 99 -9.786 4.801 -3.506 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.522 2.830 -4.381 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.187 2.398 -4.977 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.140 2.413 -3.878 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.291 0.977 -5.512 1.00 0.00 C ATOM 0 H LEU A 99 -5.916 4.768 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.614 4.079 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.445 2.866 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.288 2.093 -4.622 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.917 3.077 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.178 2.106 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.056 3.420 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.434 1.724 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.333 0.677 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.556 0.301 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.059 0.934 -6.285 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.849 5.756 -3.074 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.381 6.489 -1.947 1.00 0.00 C ATOM 1598 C LEU A 100 -9.742 7.066 -2.324 1.00 0.00 C ATOM 1599 O LEU A 100 -10.621 7.196 -1.495 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.419 7.617 -1.556 1.00 0.00 C ATOM 1601 CG LEU A 100 -6.274 7.053 -0.708 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.445 8.207 -0.144 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.842 6.226 0.448 1.00 0.00 C ATOM 0 H LEU A 100 -6.860 5.918 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.495 5.819 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.020 8.094 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.953 8.385 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.645 6.417 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.630 7.808 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.035 8.795 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.079 8.841 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.023 5.828 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.474 6.858 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.434 5.402 0.049 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.868 7.367 -3.583 1.00 0.00 N ATOM 1616 CA PRO A 101 -11.149 7.905 -4.076 1.00 0.00 C ATOM 1617 C PRO A 101 -12.254 6.834 -4.080 1.00 0.00 C ATOM 1618 O PRO A 101 -13.410 7.127 -3.844 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.826 8.350 -5.499 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.318 8.617 -5.554 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.709 7.879 -4.365 1.00 0.00 C ATOM 0 HA PRO A 101 -11.529 8.710 -3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.108 7.580 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.386 9.248 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.894 8.260 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.110 9.685 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.067 7.063 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.092 8.546 -3.763 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.919 5.608 -4.374 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.933 4.561 -4.424 1.00 0.00 C ATOM 1631 C LYS A 102 -13.700 4.452 -3.113 1.00 0.00 C ATOM 1632 O LYS A 102 -14.866 4.110 -3.101 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.279 3.208 -4.656 1.00 0.00 C ATOM 1634 CG LYS A 102 -11.305 3.281 -5.818 1.00 0.00 C ATOM 1635 CD LYS A 102 -11.381 1.990 -6.633 1.00 0.00 C ATOM 1636 CE LYS A 102 -10.468 2.102 -7.856 1.00 0.00 C ATOM 1637 NZ LYS A 102 -9.930 0.755 -8.198 1.00 0.00 N ATOM 0 H LYS A 102 -10.969 5.300 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.612 4.827 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.755 2.891 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.043 2.458 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.541 4.137 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.291 3.429 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.080 1.142 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.408 1.807 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.023 2.509 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.649 2.791 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.309 0.830 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.387 0.383 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.718 0.110 -8.411 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.066 4.692 -2.008 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.776 4.545 -0.760 1.00 0.00 C ATOM 1653 C PHE A 103 -13.954 5.905 -0.091 1.00 0.00 C ATOM 1654 O PHE A 103 -14.619 6.027 0.918 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.013 3.599 0.181 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.534 3.632 -0.130 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.057 3.059 -1.314 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.641 4.232 0.766 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.692 3.084 -1.603 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.271 4.257 0.477 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.797 3.679 -0.709 1.00 0.00 C ATOM 0 H PHE A 103 -12.091 4.982 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.758 4.120 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.180 3.893 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.392 2.583 0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.746 2.597 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.009 4.675 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.327 2.643 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.581 4.721 1.166 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.740 3.693 -0.932 1.00 0.00 H new