USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 78 MET CE :methyl 148:sc= -3.92! (180deg=-6.8!) USER MOD Set 1.2: A 110 THR OG1 : rot 82:sc= 0.886 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -4.19! C(o=-4.2!,f=-5.5!) USER MOD Single : A 19 HIS : no HE2:sc= -0.0237 K(o=-0.024,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -1.41 (180deg=-1.7) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=-0.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -3.59 F(o=-10!,f=-3.6) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.869! C(o=-0.87!,f=-4.2!) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0559) USER MOD Single : A 79 GLN : amide:sc= -1.32! X(o=-1.3!,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -1.48! C(o=-1.5!,f=-2.5!) USER MOD Single : A 85 MET CE :methyl -143:sc= -1.4 (180deg=-6.01!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 158:sc= -1! USER MOD Single : A 90 HIS : no HE2:sc= -3.84! C(o=-3.8!,f=-7!) USER MOD Single : A 92 GLN : amide:sc= 0.867 K(o=0.87,f=-7.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.665) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -1.09 F(o=-3.6!,f=-1.1) USER MOD Single : A 113 SER OG : rot -44:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -14.820 7.318 3.755 1.00 1.00 N ATOM 140 CA THR A 10 -14.480 6.600 4.957 1.00 1.07 C ATOM 141 C THR A 10 -14.192 5.154 4.621 1.00 0.92 C ATOM 142 O THR A 10 -15.030 4.257 4.722 1.00 0.99 O ATOM 143 CB THR A 10 -15.554 6.715 6.035 1.00 1.30 C ATOM 144 OG1 THR A 10 -15.318 5.781 7.097 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.925 6.502 5.440 1.00 1.90 C ATOM 0 HA THR A 10 -13.584 7.058 5.376 1.00 1.07 H new ATOM 0 HB THR A 10 -15.508 7.721 6.452 1.00 1.30 H new ATOM 0 HG1 THR A 10 -16.018 5.874 7.776 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.679 6.587 6.223 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.110 7.255 4.674 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.977 5.509 4.993 1.00 1.90 H new ATOM 153 N ALA A 11 -12.996 4.990 4.142 1.00 0.83 N ATOM 154 CA ALA A 11 -12.416 3.694 3.885 1.00 0.74 C ATOM 155 C ALA A 11 -11.889 3.092 5.180 1.00 0.77 C ATOM 156 O ALA A 11 -11.909 3.734 6.232 1.00 0.96 O ATOM 157 CB ALA A 11 -11.303 3.823 2.856 1.00 0.70 C ATOM 0 H ALA A 11 -12.377 5.767 3.912 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.182 3.029 3.486 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.868 2.842 2.665 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.710 4.226 1.929 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.532 4.494 3.236 1.00 0.70 H new ATOM 163 N VAL A 12 -11.388 1.879 5.091 1.00 0.65 N ATOM 164 CA VAL A 12 -10.940 1.147 6.270 1.00 0.72 C ATOM 165 C VAL A 12 -9.466 0.791 6.144 1.00 0.54 C ATOM 166 O VAL A 12 -9.023 0.308 5.111 1.00 0.54 O ATOM 167 CB VAL A 12 -11.776 -0.137 6.511 1.00 0.89 C ATOM 168 CG1 VAL A 12 -13.210 0.214 6.894 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.764 -1.035 5.279 1.00 1.38 C ATOM 0 H VAL A 12 -11.278 1.372 4.213 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.083 1.801 7.130 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.320 -0.681 7.338 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -13.777 -0.702 7.058 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -13.208 0.808 7.808 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -13.671 0.787 6.090 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.357 -1.928 5.474 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -12.188 -0.496 4.432 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -10.738 -1.324 5.049 1.00 1.38 H new ATOM 179 N VAL A 13 -8.703 1.047 7.191 1.00 0.52 N ATOM 180 CA VAL A 13 -7.265 0.821 7.147 1.00 0.44 C ATOM 181 C VAL A 13 -6.937 -0.627 7.503 1.00 0.41 C ATOM 182 O VAL A 13 -7.170 -1.070 8.628 1.00 0.50 O ATOM 183 CB VAL A 13 -6.523 1.762 8.110 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.026 1.692 7.879 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.017 3.188 7.965 1.00 1.02 C ATOM 0 H VAL A 13 -9.050 1.410 8.079 1.00 0.52 H new ATOM 0 HA VAL A 13 -6.933 1.028 6.130 1.00 0.44 H new ATOM 0 HB VAL A 13 -6.731 1.433 9.128 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -4.519 2.365 8.570 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -4.679 0.672 8.046 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -4.802 1.988 6.854 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.476 3.833 8.657 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -6.848 3.529 6.944 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.083 3.228 8.189 1.00 1.02 H new ATOM 195 N GLN A 14 -6.411 -1.360 6.535 1.00 0.37 N ATOM 196 CA GLN A 14 -6.072 -2.767 6.745 1.00 0.40 C ATOM 197 C GLN A 14 -4.557 -3.012 6.703 1.00 0.32 C ATOM 198 O GLN A 14 -3.776 -2.137 6.330 1.00 0.41 O ATOM 199 CB GLN A 14 -6.800 -3.648 5.731 1.00 0.51 C ATOM 200 CG GLN A 14 -6.374 -3.431 4.306 1.00 0.53 C ATOM 201 CD GLN A 14 -5.707 -4.650 3.724 1.00 0.64 C ATOM 202 OE1 GLN A 14 -6.369 -5.521 3.153 1.00 1.39 O ATOM 203 NE2 GLN A 14 -4.398 -4.722 3.875 1.00 0.55 N ATOM 0 H GLN A 14 -6.208 -1.010 5.598 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.406 -3.038 7.746 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.636 -4.694 5.992 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.871 -3.464 5.810 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -7.244 -3.171 3.703 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.689 -2.585 4.257 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -3.898 -3.974 4.355 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -3.886 -5.526 3.511 1.00 0.55 H new ATOM 212 N ARG A 15 -4.156 -4.222 7.090 1.00 0.32 N ATOM 213 CA ARG A 15 -2.748 -4.573 7.236 1.00 0.39 C ATOM 214 C ARG A 15 -2.281 -5.551 6.170 1.00 0.33 C ATOM 215 O ARG A 15 -3.002 -6.465 5.774 1.00 0.55 O ATOM 216 CB ARG A 15 -2.503 -5.199 8.609 1.00 0.70 C ATOM 217 CG ARG A 15 -2.384 -4.198 9.735 1.00 0.75 C ATOM 218 CD ARG A 15 -1.162 -3.319 9.558 1.00 1.44 C ATOM 219 NE ARG A 15 -0.899 -2.531 10.760 1.00 2.26 N ATOM 220 CZ ARG A 15 0.280 -1.991 11.067 1.00 2.85 C ATOM 221 NH1 ARG A 15 1.304 -2.086 10.224 1.00 2.98 N ATOM 222 NH2 ARG A 15 0.431 -1.355 12.223 1.00 3.63 N ATOM 0 H ARG A 15 -4.798 -4.984 7.310 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.181 -3.649 7.126 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.319 -5.886 8.833 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.590 -5.792 8.567 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -3.280 -3.578 9.770 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.323 -4.724 10.688 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.295 -3.939 9.329 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -1.310 -2.653 8.708 1.00 1.44 H new ATOM 0 HE ARG A 15 -1.672 -2.384 11.409 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.190 -2.575 9.336 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.204 -1.670 10.465 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -0.353 -1.282 12.871 1.00 3.63 H new ATOM 0 HH22 ARG A 15 1.331 -0.940 12.463 1.00 3.63 H new ATOM 236 N VAL A 16 -1.059 -5.339 5.713 1.00 0.25 N ATOM 237 CA VAL A 16 -0.375 -6.270 4.852 1.00 0.30 C ATOM 238 C VAL A 16 1.010 -6.526 5.430 1.00 0.26 C ATOM 239 O VAL A 16 1.725 -5.586 5.774 1.00 0.40 O ATOM 240 CB VAL A 16 -0.262 -5.732 3.402 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.752 -6.522 2.591 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.614 -5.777 2.715 1.00 0.64 C ATOM 0 H VAL A 16 -0.514 -4.506 5.935 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.946 -7.197 4.805 1.00 0.30 H new ATOM 0 HB VAL A 16 0.080 -4.699 3.461 1.00 0.51 H new ATOM 0 HG11 VAL A 16 0.805 -6.117 1.580 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.732 -6.449 3.063 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.448 -7.568 2.547 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.518 -5.396 1.698 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.973 -6.806 2.685 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.324 -5.161 3.268 1.00 0.64 H new ATOM 252 N GLU A 17 1.366 -7.781 5.592 1.00 0.22 N ATOM 253 CA GLU A 17 2.667 -8.126 6.135 1.00 0.25 C ATOM 254 C GLU A 17 3.209 -9.365 5.459 1.00 0.24 C ATOM 255 O GLU A 17 2.591 -10.427 5.507 1.00 0.28 O ATOM 256 CB GLU A 17 2.575 -8.343 7.647 1.00 0.33 C ATOM 257 CG GLU A 17 3.894 -8.736 8.294 1.00 0.44 C ATOM 258 CD GLU A 17 3.887 -8.503 9.788 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.646 -7.351 10.207 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.132 -9.462 10.547 1.00 1.31 O ATOM 0 H GLU A 17 0.777 -8.580 5.357 1.00 0.22 H new ATOM 0 HA GLU A 17 3.351 -7.299 5.944 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.211 -7.428 8.114 1.00 0.33 H new ATOM 0 HB3 GLU A 17 1.837 -9.119 7.849 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.097 -9.788 8.093 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.704 -8.163 7.842 1.00 0.44 H new ATOM 267 N ILE A 18 4.355 -9.232 4.816 1.00 0.24 N ATOM 268 CA ILE A 18 4.954 -10.350 4.148 1.00 0.24 C ATOM 269 C ILE A 18 6.460 -10.237 4.261 1.00 0.27 C ATOM 270 O ILE A 18 6.989 -9.142 4.376 1.00 0.33 O ATOM 271 CB ILE A 18 4.516 -10.408 2.671 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.825 -11.783 2.093 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.177 -9.308 1.853 1.00 0.27 C ATOM 274 CD1 ILE A 18 4.024 -12.880 2.740 1.00 0.61 C ATOM 0 H ILE A 18 4.880 -8.360 4.748 1.00 0.24 H new ATOM 0 HA ILE A 18 4.623 -11.275 4.621 1.00 0.24 H new ATOM 0 HB ILE A 18 3.440 -10.242 2.623 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.624 -11.776 1.022 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.887 -11.994 2.216 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.847 -9.377 0.816 1.00 0.27 H new ATOM 0 HG22 ILE A 18 4.898 -8.335 2.259 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.260 -9.422 1.897 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.286 -13.837 2.288 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.244 -12.910 3.807 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.961 -12.689 2.594 1.00 0.61 H new ATOM 286 N HIS A 19 7.154 -11.350 4.269 1.00 0.30 N ATOM 287 CA HIS A 19 8.595 -11.307 4.366 1.00 0.33 C ATOM 288 C HIS A 19 9.184 -11.013 2.998 1.00 0.35 C ATOM 289 O HIS A 19 8.981 -11.784 2.064 1.00 0.40 O ATOM 290 CB HIS A 19 9.140 -12.611 4.952 1.00 0.39 C ATOM 291 CG HIS A 19 8.881 -12.755 6.426 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.879 -12.975 7.351 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.725 -12.711 7.135 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.350 -13.064 8.558 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.043 -12.912 8.456 1.00 0.56 N ATOM 0 H HIS A 19 6.752 -12.286 4.210 1.00 0.30 H new ATOM 0 HA HIS A 19 8.889 -10.507 5.046 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.689 -13.453 4.427 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.214 -12.661 4.772 1.00 0.39 H new ATOM 0 HD1 HIS A 19 10.873 -13.057 7.136 1.00 0.54 H new ATOM 0 HD2 HIS A 19 6.736 -12.548 6.734 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.896 -13.233 9.475 1.00 0.60 H new ATOM 304 N LYS A 20 9.830 -9.840 2.903 1.00 0.34 N ATOM 305 CA LYS A 20 10.532 -9.370 1.691 1.00 0.36 C ATOM 306 C LYS A 20 11.039 -10.527 0.822 1.00 0.36 C ATOM 307 O LYS A 20 11.598 -11.505 1.330 1.00 0.42 O ATOM 308 CB LYS A 20 11.702 -8.444 2.101 1.00 0.40 C ATOM 309 CG LYS A 20 12.757 -9.101 2.981 1.00 1.42 C ATOM 310 CD LYS A 20 13.839 -9.794 2.168 1.00 2.33 C ATOM 311 CE LYS A 20 14.904 -10.409 3.061 1.00 3.13 C ATOM 312 NZ LYS A 20 14.360 -11.472 3.946 1.00 4.00 N ATOM 0 H LYS A 20 9.882 -9.178 3.677 1.00 0.34 H new ATOM 0 HA LYS A 20 9.816 -8.815 1.084 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.184 -8.069 1.198 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.296 -7.580 2.628 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.214 -8.346 3.621 1.00 1.42 H new ATOM 0 HG3 LYS A 20 12.278 -9.827 3.637 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.389 -10.571 1.550 1.00 2.33 H new ATOM 0 HD3 LYS A 20 14.302 -9.076 1.491 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.696 -10.828 2.441 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.356 -9.628 3.672 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 15.100 -11.788 4.604 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.554 -11.096 4.486 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 14.044 -12.277 3.368 1.00 4.00 H new ATOM 326 N LEU A 21 10.848 -10.415 -0.490 1.00 0.33 N ATOM 327 CA LEU A 21 11.210 -11.503 -1.389 1.00 0.37 C ATOM 328 C LEU A 21 12.428 -11.131 -2.219 1.00 0.41 C ATOM 329 O LEU A 21 12.313 -10.432 -3.217 1.00 0.45 O ATOM 330 CB LEU A 21 10.030 -11.847 -2.304 1.00 0.38 C ATOM 331 CG LEU A 21 10.269 -12.992 -3.289 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.501 -14.296 -2.543 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.095 -13.123 -4.248 1.00 0.48 C ATOM 0 H LEU A 21 10.451 -9.594 -0.947 1.00 0.33 H new ATOM 0 HA LEU A 21 11.458 -12.378 -0.789 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.172 -12.101 -1.681 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.760 -10.955 -2.870 1.00 0.38 H new ATOM 0 HG LEU A 21 11.163 -12.767 -3.871 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.669 -15.100 -3.259 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.374 -14.196 -1.898 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.626 -14.528 -1.936 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.282 -13.943 -4.942 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.185 -13.326 -3.683 1.00 0.48 H new ATOM 0 HD23 LEU A 21 8.976 -12.195 -4.807 1.00 0.48 H new ATOM 345 N ARG A 22 13.601 -11.579 -1.801 1.00 0.51 N ATOM 346 CA ARG A 22 14.808 -11.311 -2.554 1.00 0.61 C ATOM 347 C ARG A 22 14.800 -12.026 -3.892 1.00 0.60 C ATOM 348 O ARG A 22 14.430 -13.196 -3.993 1.00 0.66 O ATOM 349 CB ARG A 22 16.046 -11.715 -1.766 1.00 0.88 C ATOM 350 CG ARG A 22 16.465 -10.692 -0.734 1.00 1.19 C ATOM 351 CD ARG A 22 17.803 -11.058 -0.126 1.00 1.94 C ATOM 352 NE ARG A 22 18.328 -10.008 0.751 1.00 2.47 N ATOM 353 CZ ARG A 22 19.633 -9.753 0.909 1.00 3.28 C ATOM 354 NH1 ARG A 22 20.539 -10.473 0.253 1.00 3.78 N ATOM 355 NH2 ARG A 22 20.028 -8.775 1.716 1.00 3.97 N ATOM 0 H ARG A 22 13.739 -12.125 -0.951 1.00 0.51 H new ATOM 0 HA ARG A 22 14.838 -10.237 -2.736 1.00 0.61 H new ATOM 0 HB2 ARG A 22 15.855 -12.665 -1.267 1.00 0.88 H new ATOM 0 HB3 ARG A 22 16.871 -11.879 -2.459 1.00 0.88 H new ATOM 0 HG2 ARG A 22 16.528 -9.707 -1.197 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.710 -10.629 0.049 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.699 -11.983 0.442 1.00 1.94 H new ATOM 0 HD3 ARG A 22 18.520 -11.252 -0.924 1.00 1.94 H new ATOM 0 HE ARG A 22 17.661 -9.438 1.271 1.00 2.47 H new ATOM 0 HH11 ARG A 22 20.240 -11.221 -0.372 1.00 3.78 H new ATOM 0 HH12 ARG A 22 21.532 -10.277 0.375 1.00 3.78 H new ATOM 0 HH21 ARG A 22 19.337 -8.217 2.217 1.00 3.97 H new ATOM 0 HH22 ARG A 22 21.023 -8.582 1.835 1.00 3.97 H new ATOM 369 N GLN A 23 15.197 -11.302 -4.919 1.00 0.68 N ATOM 370 CA GLN A 23 15.390 -11.875 -6.224 1.00 0.81 C ATOM 371 C GLN A 23 16.833 -11.649 -6.629 1.00 0.93 C ATOM 372 O GLN A 23 17.154 -10.602 -7.188 1.00 1.02 O ATOM 373 CB GLN A 23 14.475 -11.199 -7.242 1.00 0.90 C ATOM 374 CG GLN A 23 14.105 -12.094 -8.403 1.00 1.04 C ATOM 375 CD GLN A 23 12.899 -12.981 -8.118 1.00 0.92 C ATOM 376 OE1 GLN A 23 12.690 -13.340 -6.857 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 12.150 -13.334 -9.033 1.00 0.69 N flip ATOM 0 H GLN A 23 15.393 -10.302 -4.867 1.00 0.68 H new ATOM 0 HA GLN A 23 15.155 -12.939 -6.195 1.00 0.81 H new ATOM 0 HB2 GLN A 23 13.564 -10.872 -6.740 1.00 0.90 H new ATOM 0 HB3 GLN A 23 14.967 -10.305 -7.624 1.00 0.90 H new ATOM 0 HG2 GLN A 23 13.895 -11.477 -9.277 1.00 1.04 H new ATOM 0 HG3 GLN A 23 14.959 -12.723 -8.655 1.00 1.04 H new ATOM 0 HE21 GLN A 23 12.341 -13.039 -9.991 1.00 0.69 H new ATOM 0 HE22 GLN A 23 11.340 -13.920 -8.832 1.00 0.69 H new ATOM 386 N GLY A 24 17.693 -12.613 -6.335 1.00 1.03 N ATOM 387 CA GLY A 24 19.103 -12.471 -6.626 1.00 1.19 C ATOM 388 C GLY A 24 19.745 -11.394 -5.778 1.00 1.23 C ATOM 389 O GLY A 24 20.357 -11.683 -4.751 1.00 1.33 O ATOM 0 H GLY A 24 17.436 -13.497 -5.897 1.00 1.03 H new ATOM 0 HA2 GLY A 24 19.608 -13.421 -6.451 1.00 1.19 H new ATOM 0 HA3 GLY A 24 19.234 -12.230 -7.681 1.00 1.19 H new ATOM 393 N GLU A 25 19.582 -10.149 -6.206 1.00 1.27 N ATOM 394 CA GLU A 25 20.153 -9.000 -5.515 1.00 1.43 C ATOM 395 C GLU A 25 19.095 -7.927 -5.282 1.00 1.40 C ATOM 396 O GLU A 25 19.377 -6.834 -4.787 1.00 1.61 O ATOM 397 CB GLU A 25 21.310 -8.445 -6.331 1.00 1.67 C ATOM 398 CG GLU A 25 22.478 -9.403 -6.391 1.00 1.84 C ATOM 399 CD GLU A 25 23.232 -9.467 -5.080 1.00 2.03 C ATOM 400 OE1 GLU A 25 23.855 -8.451 -4.698 1.00 2.33 O ATOM 401 OE2 GLU A 25 23.204 -10.528 -4.423 1.00 2.21 O ATOM 0 H GLU A 25 19.050 -9.907 -7.042 1.00 1.27 H new ATOM 0 HA GLU A 25 20.522 -9.318 -4.540 1.00 1.43 H new ATOM 0 HB2 GLU A 25 20.968 -8.228 -7.343 1.00 1.67 H new ATOM 0 HB3 GLU A 25 21.639 -7.501 -5.897 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.117 -10.398 -6.649 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.158 -9.095 -7.185 1.00 1.84 H new ATOM 408 N ASN A 26 17.871 -8.257 -5.635 1.00 1.21 N ATOM 409 CA ASN A 26 16.759 -7.323 -5.519 1.00 1.23 C ATOM 410 C ASN A 26 15.840 -7.740 -4.387 1.00 1.05 C ATOM 411 O ASN A 26 15.951 -8.849 -3.866 1.00 1.06 O ATOM 412 CB ASN A 26 15.948 -7.284 -6.821 1.00 1.31 C ATOM 413 CG ASN A 26 16.820 -7.174 -8.054 1.00 1.39 C ATOM 414 OD1 ASN A 26 17.113 -6.081 -8.531 1.00 1.87 O ATOM 415 ND2 ASN A 26 17.230 -8.317 -8.579 1.00 1.33 N ATOM 0 H ASN A 26 17.614 -9.171 -6.008 1.00 1.21 H new ATOM 0 HA ASN A 26 17.171 -6.334 -5.317 1.00 1.23 H new ATOM 0 HB2 ASN A 26 15.340 -8.186 -6.891 1.00 1.31 H new ATOM 0 HB3 ASN A 26 15.262 -6.438 -6.791 1.00 1.31 H new ATOM 0 HD21 ASN A 26 17.815 -8.314 -9.415 1.00 1.33 H new ATOM 0 HD22 ASN A 26 16.961 -9.202 -8.148 1.00 1.33 H new ATOM 422 N LEU A 27 14.937 -6.850 -4.014 1.00 0.95 N ATOM 423 CA LEU A 27 13.888 -7.172 -3.076 1.00 0.82 C ATOM 424 C LEU A 27 12.563 -6.921 -3.736 1.00 0.71 C ATOM 425 O LEU A 27 12.287 -5.821 -4.212 1.00 0.81 O ATOM 426 CB LEU A 27 13.993 -6.371 -1.778 1.00 0.93 C ATOM 427 CG LEU A 27 14.757 -7.072 -0.662 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.253 -7.103 -0.953 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.467 -6.406 0.674 1.00 1.62 C ATOM 0 H LEU A 27 14.914 -5.889 -4.354 1.00 0.95 H new ATOM 0 HA LEU A 27 13.988 -8.222 -2.800 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.480 -5.419 -1.992 1.00 0.93 H new ATOM 0 HB3 LEU A 27 12.987 -6.143 -1.425 1.00 0.93 H new ATOM 0 HG LEU A 27 14.416 -8.106 -0.609 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.772 -7.609 -0.139 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.431 -7.638 -1.886 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.627 -6.083 -1.043 1.00 2.28 H new ATOM 0 HD21 LEU A 27 15.019 -6.917 1.463 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.775 -5.361 0.634 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.399 -6.462 0.884 1.00 1.62 H new ATOM 441 N ILE A 28 11.756 -7.946 -3.789 1.00 0.57 N ATOM 442 CA ILE A 28 10.511 -7.870 -4.495 1.00 0.52 C ATOM 443 C ILE A 28 9.379 -7.588 -3.531 1.00 0.44 C ATOM 444 O ILE A 28 9.233 -8.264 -2.502 1.00 0.43 O ATOM 445 CB ILE A 28 10.239 -9.168 -5.287 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.369 -9.412 -6.290 1.00 0.75 C ATOM 447 CG2 ILE A 28 8.894 -9.122 -5.994 1.00 0.47 C ATOM 448 CD1 ILE A 28 11.700 -8.204 -7.148 1.00 0.80 C ATOM 0 H ILE A 28 11.942 -8.847 -3.348 1.00 0.57 H new ATOM 0 HA ILE A 28 10.575 -7.050 -5.210 1.00 0.52 H new ATOM 0 HB ILE A 28 10.204 -9.996 -4.579 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.264 -9.716 -5.747 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.092 -10.242 -6.940 1.00 0.75 H new ATOM 0 HG21 ILE A 28 8.738 -10.052 -6.540 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.100 -8.996 -5.258 1.00 0.47 H new ATOM 0 HG23 ILE A 28 8.878 -8.285 -6.691 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.510 -8.455 -7.833 1.00 0.80 H new ATOM 0 HD12 ILE A 28 10.819 -7.911 -7.719 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.009 -7.377 -6.509 1.00 0.80 H new ATOM 460 N LEU A 29 8.613 -6.555 -3.865 1.00 0.51 N ATOM 461 CA LEU A 29 7.484 -6.122 -3.055 1.00 0.55 C ATOM 462 C LEU A 29 6.268 -6.938 -3.427 1.00 0.73 C ATOM 463 O LEU A 29 5.461 -7.310 -2.579 1.00 1.74 O ATOM 464 CB LEU A 29 7.181 -4.638 -3.301 1.00 0.71 C ATOM 465 CG LEU A 29 8.342 -3.802 -3.848 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.863 -2.411 -4.229 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.476 -3.714 -2.833 1.00 1.33 C ATOM 0 H LEU A 29 8.759 -5.995 -4.705 1.00 0.51 H new ATOM 0 HA LEU A 29 7.731 -6.264 -2.003 1.00 0.55 H new ATOM 0 HB2 LEU A 29 6.347 -4.568 -3.999 1.00 0.71 H new ATOM 0 HB3 LEU A 29 6.849 -4.194 -2.363 1.00 0.71 H new ATOM 0 HG LEU A 29 8.723 -4.296 -4.742 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.701 -1.831 -4.616 1.00 1.28 H new ATOM 0 HD12 LEU A 29 7.091 -2.489 -4.995 1.00 1.28 H new ATOM 0 HD13 LEU A 29 7.453 -1.914 -3.350 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.288 -3.115 -3.246 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.110 -3.248 -1.918 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.842 -4.716 -2.608 1.00 1.33 H new ATOM 479 N GLY A 30 6.150 -7.210 -4.715 1.00 0.40 N ATOM 480 CA GLY A 30 5.027 -7.959 -5.210 1.00 0.32 C ATOM 481 C GLY A 30 3.919 -7.049 -5.677 1.00 0.35 C ATOM 482 O GLY A 30 2.851 -7.513 -6.034 1.00 0.69 O ATOM 0 H GLY A 30 6.820 -6.921 -5.428 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.348 -8.596 -6.034 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.653 -8.617 -4.426 1.00 0.32 H new ATOM 486 N PHE A 31 4.179 -5.753 -5.677 1.00 0.29 N ATOM 487 CA PHE A 31 3.189 -4.767 -6.083 1.00 0.28 C ATOM 488 C PHE A 31 3.892 -3.548 -6.647 1.00 0.31 C ATOM 489 O PHE A 31 5.106 -3.413 -6.478 1.00 0.42 O ATOM 490 CB PHE A 31 2.313 -4.362 -4.890 1.00 0.28 C ATOM 491 CG PHE A 31 3.070 -3.769 -3.727 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.436 -2.430 -3.720 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.399 -4.549 -2.633 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.117 -1.889 -2.648 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.082 -4.015 -1.558 1.00 0.42 C ATOM 496 CZ PHE A 31 4.439 -2.680 -1.566 1.00 0.51 C ATOM 0 H PHE A 31 5.076 -5.355 -5.398 1.00 0.29 H new ATOM 0 HA PHE A 31 2.548 -5.204 -6.849 1.00 0.28 H new ATOM 0 HB2 PHE A 31 1.571 -3.639 -5.230 1.00 0.28 H new ATOM 0 HB3 PHE A 31 1.768 -5.239 -4.542 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.185 -1.804 -4.563 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.117 -5.592 -2.619 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.397 -0.846 -2.657 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.336 -4.639 -0.714 1.00 0.42 H new ATOM 0 HZ PHE A 31 4.970 -2.257 -0.726 1.00 0.51 H new ATOM 506 N SER A 32 3.160 -2.654 -7.307 1.00 0.25 N ATOM 507 CA SER A 32 3.778 -1.422 -7.723 1.00 0.23 C ATOM 508 C SER A 32 3.283 -0.296 -6.828 1.00 0.23 C ATOM 509 O SER A 32 2.352 -0.491 -6.050 1.00 0.29 O ATOM 510 CB SER A 32 3.524 -1.152 -9.196 1.00 0.25 C ATOM 511 OG SER A 32 4.696 -0.695 -9.851 1.00 0.53 O ATOM 0 H SER A 32 2.176 -2.761 -7.553 1.00 0.25 H new ATOM 0 HA SER A 32 4.860 -1.495 -7.614 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.169 -2.063 -9.678 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.734 -0.408 -9.300 1.00 0.25 H new ATOM 0 HG SER A 32 4.500 -0.532 -10.797 1.00 0.53 H new ATOM 517 N ILE A 33 3.894 0.870 -6.906 1.00 0.23 N ATOM 518 CA ILE A 33 3.694 1.860 -5.868 1.00 0.25 C ATOM 519 C ILE A 33 3.594 3.284 -6.432 1.00 0.25 C ATOM 520 O ILE A 33 4.387 3.682 -7.283 1.00 0.32 O ATOM 521 CB ILE A 33 4.860 1.760 -4.849 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.714 2.767 -3.715 1.00 0.33 C ATOM 523 CG2 ILE A 33 6.199 1.955 -5.548 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.886 2.756 -2.748 1.00 0.37 C ATOM 0 H ILE A 33 4.520 1.151 -7.661 1.00 0.23 H new ATOM 0 HA ILE A 33 2.744 1.653 -5.375 1.00 0.25 H new ATOM 0 HB ILE A 33 4.823 0.761 -4.414 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.609 3.767 -4.137 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.797 2.555 -3.166 1.00 0.33 H new ATOM 0 HG21 ILE A 33 7.005 1.882 -4.818 1.00 0.49 H new ATOM 0 HG22 ILE A 33 6.328 1.185 -6.309 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.224 2.938 -6.018 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.719 3.496 -1.965 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.978 1.767 -2.299 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.803 2.997 -3.285 1.00 0.37 H new ATOM 536 N GLY A 34 2.611 4.033 -5.942 1.00 0.26 N ATOM 537 CA GLY A 34 2.463 5.436 -6.292 1.00 0.43 C ATOM 538 C GLY A 34 2.947 6.324 -5.166 1.00 0.30 C ATOM 539 O GLY A 34 3.264 5.824 -4.085 1.00 0.72 O ATOM 0 H GLY A 34 1.902 3.686 -5.297 1.00 0.26 H new ATOM 0 HA2 GLY A 34 3.028 5.651 -7.199 1.00 0.43 H new ATOM 0 HA3 GLY A 34 1.417 5.653 -6.509 1.00 0.43 H new ATOM 543 N GLY A 35 3.004 7.629 -5.392 1.00 0.77 N ATOM 544 CA GLY A 35 3.793 8.465 -4.541 1.00 0.93 C ATOM 545 C GLY A 35 3.083 9.420 -3.628 1.00 0.73 C ATOM 546 O GLY A 35 1.909 9.738 -3.783 1.00 1.42 O ATOM 0 H GLY A 35 2.518 8.112 -6.147 1.00 0.77 H new ATOM 0 HA2 GLY A 35 4.417 7.818 -3.925 1.00 0.93 H new ATOM 0 HA3 GLY A 35 4.463 9.046 -5.174 1.00 0.93 H new ATOM 550 N GLY A 36 3.924 9.939 -2.742 1.00 0.40 N ATOM 551 CA GLY A 36 3.569 10.823 -1.686 1.00 0.39 C ATOM 552 C GLY A 36 3.504 12.276 -2.117 1.00 0.35 C ATOM 553 O GLY A 36 3.043 12.603 -3.206 1.00 0.48 O ATOM 0 H GLY A 36 4.922 9.731 -2.759 1.00 0.40 H new ATOM 0 HA2 GLY A 36 2.600 10.527 -1.284 1.00 0.39 H new ATOM 0 HA3 GLY A 36 4.294 10.723 -0.878 1.00 0.39 H new ATOM 557 N ILE A 37 3.942 13.139 -1.231 1.00 0.37 N ATOM 558 CA ILE A 37 4.029 14.577 -1.488 1.00 0.41 C ATOM 559 C ILE A 37 5.304 14.982 -2.232 1.00 0.38 C ATOM 560 O ILE A 37 5.468 16.148 -2.593 1.00 0.46 O ATOM 561 CB ILE A 37 4.006 15.338 -0.156 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.163 14.828 0.720 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.654 15.193 0.525 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.124 15.326 2.152 1.00 0.49 C ATOM 0 H ILE A 37 4.254 12.870 -0.298 1.00 0.37 H new ATOM 0 HA ILE A 37 3.174 14.827 -2.117 1.00 0.41 H new ATOM 0 HB ILE A 37 4.147 16.405 -0.328 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.147 13.738 0.725 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.107 15.130 0.267 1.00 0.47 H new ATOM 0 HG21 ILE A 37 2.661 15.741 1.467 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.875 15.595 -0.123 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.456 14.139 0.719 1.00 0.52 H new ATOM 0 HD11 ILE A 37 5.974 14.921 2.701 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.173 16.415 2.160 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.197 15.001 2.625 1.00 0.49 H new ATOM 576 N ASP A 38 6.208 14.036 -2.457 1.00 0.35 N ATOM 577 CA ASP A 38 7.513 14.362 -3.043 1.00 0.40 C ATOM 578 C ASP A 38 7.377 14.762 -4.499 1.00 0.56 C ATOM 579 O ASP A 38 8.138 15.592 -4.994 1.00 0.69 O ATOM 580 CB ASP A 38 8.480 13.185 -2.975 1.00 0.39 C ATOM 581 CG ASP A 38 8.044 12.041 -3.850 1.00 0.42 C ATOM 582 OD1 ASP A 38 6.886 11.595 -3.746 1.00 0.72 O ATOM 583 OD2 ASP A 38 8.878 11.580 -4.647 1.00 0.68 O ATOM 0 H ASP A 38 6.069 13.047 -2.247 1.00 0.35 H new ATOM 0 HA ASP A 38 7.905 15.192 -2.456 1.00 0.40 H new ATOM 0 HB2 ASP A 38 9.473 13.515 -3.279 1.00 0.39 H new ATOM 0 HB3 ASP A 38 8.560 12.842 -1.944 1.00 0.39 H new ATOM 588 N GLN A 39 6.402 14.157 -5.174 1.00 0.63 N ATOM 589 CA GLN A 39 6.260 14.322 -6.618 1.00 0.85 C ATOM 590 C GLN A 39 6.063 15.793 -6.933 1.00 0.93 C ATOM 591 O GLN A 39 6.783 16.383 -7.742 1.00 1.19 O ATOM 592 CB GLN A 39 5.094 13.491 -7.168 1.00 0.98 C ATOM 593 CG GLN A 39 5.310 11.998 -7.088 1.00 1.00 C ATOM 594 CD GLN A 39 4.312 11.383 -6.180 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.672 11.354 -4.930 1.00 0.78 O flip ATOM 596 NE2 GLN A 39 3.233 10.951 -6.585 1.00 0.82 N flip ATOM 0 H GLN A 39 5.702 13.551 -4.746 1.00 0.63 H new ATOM 0 HA GLN A 39 7.168 13.962 -7.102 1.00 0.85 H new ATOM 0 HB2 GLN A 39 4.188 13.746 -6.618 1.00 0.98 H new ATOM 0 HB3 GLN A 39 4.924 13.768 -8.208 1.00 0.98 H new ATOM 0 HG2 GLN A 39 5.228 11.558 -8.082 1.00 1.00 H new ATOM 0 HG3 GLN A 39 6.317 11.788 -6.729 1.00 1.00 H new ATOM 0 HE21 GLN A 39 3.004 11.000 -7.578 1.00 0.82 H new ATOM 0 HE22 GLN A 39 2.568 10.544 -5.928 1.00 0.82 H new ATOM 815 N GLY A 54 -0.992 9.794 0.320 1.00 0.78 N ATOM 816 CA GLY A 54 0.324 9.450 0.807 1.00 0.65 C ATOM 817 C GLY A 54 1.065 8.642 -0.221 1.00 0.53 C ATOM 818 O GLY A 54 1.253 9.094 -1.341 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.882 10.357 1.038 1.00 0.65 H new ATOM 0 HA3 GLY A 54 0.240 8.883 1.734 1.00 0.65 H new ATOM 822 N ILE A 55 1.469 7.447 0.141 1.00 0.48 N ATOM 823 CA ILE A 55 1.998 6.519 -0.819 1.00 0.40 C ATOM 824 C ILE A 55 0.951 5.443 -0.972 1.00 0.33 C ATOM 825 O ILE A 55 0.255 5.166 -0.026 1.00 0.43 O ATOM 826 CB ILE A 55 3.359 5.956 -0.352 1.00 0.46 C ATOM 827 CG1 ILE A 55 4.473 6.973 -0.638 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.663 4.621 -1.006 1.00 0.45 C ATOM 829 CD1 ILE A 55 4.385 8.238 0.195 1.00 0.54 C ATOM 0 H ILE A 55 1.439 7.097 1.099 1.00 0.48 H new ATOM 0 HA ILE A 55 2.198 6.995 -1.779 1.00 0.40 H new ATOM 0 HB ILE A 55 3.306 5.784 0.723 1.00 0.46 H new ATOM 0 HG12 ILE A 55 5.438 6.499 -0.459 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.442 7.243 -1.694 1.00 0.51 H new ATOM 0 HG21 ILE A 55 4.628 4.255 -0.654 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.885 3.903 -0.746 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.695 4.745 -2.088 1.00 0.45 H new ATOM 0 HD11 ILE A 55 5.207 8.904 -0.067 1.00 0.54 H new ATOM 0 HD12 ILE A 55 3.436 8.738 -0.001 1.00 0.54 H new ATOM 0 HD13 ILE A 55 4.448 7.982 1.253 1.00 0.54 H new ATOM 841 N TYR A 56 0.783 4.872 -2.142 1.00 0.25 N ATOM 842 CA TYR A 56 -0.355 4.007 -2.361 1.00 0.23 C ATOM 843 C TYR A 56 -0.046 3.003 -3.432 1.00 0.18 C ATOM 844 O TYR A 56 0.609 3.315 -4.420 1.00 0.28 O ATOM 845 CB TYR A 56 -1.617 4.814 -2.697 1.00 0.36 C ATOM 846 CG TYR A 56 -1.428 5.883 -3.743 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.615 6.973 -3.490 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.070 5.810 -4.967 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.436 7.965 -4.425 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.901 6.802 -5.917 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.082 7.880 -5.638 1.00 1.01 C ATOM 852 OH TYR A 56 -0.911 8.877 -6.577 1.00 1.42 O ATOM 0 H TYR A 56 1.405 4.986 -2.942 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.557 3.468 -1.435 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.391 4.126 -3.038 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -1.986 5.281 -1.784 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.110 7.046 -2.538 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.711 4.968 -5.183 1.00 0.83 H new ATOM 0 HE1 TYR A 56 0.207 8.805 -4.209 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.405 6.734 -6.870 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.434 8.665 -7.378 1.00 1.42 H new ATOM 862 N VAL A 57 -0.500 1.793 -3.217 1.00 0.18 N ATOM 863 CA VAL A 57 -0.119 0.704 -4.066 1.00 0.17 C ATOM 864 C VAL A 57 -0.784 0.820 -5.412 1.00 0.16 C ATOM 865 O VAL A 57 -1.975 1.097 -5.501 1.00 0.22 O ATOM 866 CB VAL A 57 -0.436 -0.655 -3.422 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.919 -0.878 -3.223 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.164 -1.785 -4.232 1.00 0.58 C ATOM 0 H VAL A 57 -1.135 1.542 -2.459 1.00 0.18 H new ATOM 0 HA VAL A 57 0.961 0.759 -4.205 1.00 0.17 H new ATOM 0 HB VAL A 57 0.019 -0.644 -2.432 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -2.082 -1.854 -2.765 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.320 -0.100 -2.573 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.425 -0.841 -4.188 1.00 0.51 H new ATOM 0 HG21 VAL A 57 -0.073 -2.738 -3.758 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -0.249 -1.769 -5.241 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.246 -1.663 -4.281 1.00 0.58 H new ATOM 878 N THR A 58 0.016 0.663 -6.441 1.00 0.17 N ATOM 879 CA THR A 58 -0.473 0.625 -7.789 1.00 0.24 C ATOM 880 C THR A 58 0.005 -0.653 -8.459 1.00 0.38 C ATOM 881 O THR A 58 0.892 -0.624 -9.282 1.00 1.11 O ATOM 882 CB THR A 58 -0.026 1.848 -8.607 1.00 0.39 C ATOM 883 OG1 THR A 58 -0.302 3.047 -7.867 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.756 1.884 -9.942 1.00 0.69 C ATOM 0 H THR A 58 1.027 0.558 -6.361 1.00 0.17 H new ATOM 0 HA THR A 58 -1.562 0.647 -7.751 1.00 0.24 H new ATOM 0 HB THR A 58 1.045 1.777 -8.796 1.00 0.39 H new ATOM 0 HG1 THR A 58 -0.015 3.826 -8.388 1.00 0.83 H new ATOM 0 HG21 THR A 58 -0.430 2.755 -10.511 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.531 0.978 -10.504 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.830 1.945 -9.768 1.00 0.69 H new ATOM 892 N ARG A 59 -0.481 -1.764 -7.924 1.00 0.31 N ATOM 893 CA ARG A 59 -0.436 -3.101 -8.544 1.00 0.26 C ATOM 894 C ARG A 59 -0.358 -4.196 -7.495 1.00 0.26 C ATOM 895 O ARG A 59 -0.568 -3.965 -6.299 1.00 0.27 O ATOM 896 CB ARG A 59 0.740 -3.311 -9.505 1.00 0.26 C ATOM 897 CG ARG A 59 0.440 -2.902 -10.928 1.00 0.34 C ATOM 898 CD ARG A 59 1.454 -3.502 -11.890 1.00 0.45 C ATOM 899 NE ARG A 59 1.249 -3.073 -13.273 1.00 1.06 N ATOM 900 CZ ARG A 59 1.447 -3.856 -14.331 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.791 -5.127 -14.162 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.290 -3.368 -15.555 1.00 2.27 N ATOM 0 H ARG A 59 -0.937 -1.770 -7.012 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.363 -3.158 -9.114 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.598 -2.742 -9.146 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.026 -4.363 -9.491 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.564 -3.229 -11.201 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.455 -1.815 -11.009 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.458 -3.221 -11.573 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.396 -4.589 -11.840 1.00 0.45 H new ATOM 0 HE ARG A 59 0.935 -2.116 -13.437 1.00 1.06 H new ATOM 0 HH11 ARG A 59 1.904 -5.504 -13.221 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.943 -5.727 -14.973 1.00 1.52 H new ATOM 0 HH21 ARG A 59 1.018 -2.394 -15.684 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.442 -3.967 -16.366 1.00 2.27 H new ATOM 916 N VAL A 60 -0.172 -5.400 -8.012 1.00 0.26 N ATOM 917 CA VAL A 60 0.291 -6.558 -7.266 1.00 0.27 C ATOM 918 C VAL A 60 0.507 -7.704 -8.248 1.00 0.36 C ATOM 919 O VAL A 60 -0.405 -8.102 -8.969 1.00 0.51 O ATOM 920 CB VAL A 60 -0.641 -6.982 -6.107 1.00 0.33 C ATOM 921 CG1 VAL A 60 -2.060 -7.196 -6.582 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.088 -8.224 -5.417 1.00 0.75 C ATOM 0 H VAL A 60 -0.345 -5.604 -8.996 1.00 0.26 H new ATOM 0 HA VAL A 60 1.226 -6.283 -6.777 1.00 0.27 H new ATOM 0 HB VAL A 60 -0.673 -6.171 -5.380 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -2.685 -7.493 -5.740 1.00 0.83 H new ATOM 0 HG12 VAL A 60 -2.444 -6.270 -7.010 1.00 0.83 H new ATOM 0 HG13 VAL A 60 -2.076 -7.980 -7.339 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -0.752 -8.514 -4.603 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.019 -9.040 -6.137 1.00 0.75 H new ATOM 0 HG23 VAL A 60 0.903 -8.008 -5.018 1.00 0.75 H new ATOM 932 N SER A 61 1.726 -8.195 -8.309 1.00 0.45 N ATOM 933 CA SER A 61 2.084 -9.213 -9.271 1.00 0.56 C ATOM 934 C SER A 61 1.960 -10.595 -8.669 1.00 0.56 C ATOM 935 O SER A 61 2.416 -10.847 -7.549 1.00 0.64 O ATOM 936 CB SER A 61 3.511 -9.003 -9.753 1.00 0.72 C ATOM 937 OG SER A 61 3.739 -7.644 -10.099 1.00 1.65 O ATOM 0 H SER A 61 2.490 -7.903 -7.699 1.00 0.45 H new ATOM 0 HA SER A 61 1.397 -9.132 -10.113 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.210 -9.305 -8.973 1.00 0.72 H new ATOM 0 HB3 SER A 61 3.704 -9.639 -10.617 1.00 0.72 H new ATOM 0 HG SER A 61 4.664 -7.535 -10.404 1.00 1.65 H new ATOM 943 N GLU A 62 1.342 -11.471 -9.430 1.00 0.68 N ATOM 944 CA GLU A 62 1.227 -12.866 -9.078 1.00 0.73 C ATOM 945 C GLU A 62 2.598 -13.497 -8.970 1.00 0.74 C ATOM 946 O GLU A 62 3.414 -13.419 -9.891 1.00 0.84 O ATOM 947 CB GLU A 62 0.391 -13.567 -10.133 1.00 0.86 C ATOM 948 CG GLU A 62 -1.095 -13.298 -9.979 1.00 1.45 C ATOM 949 CD GLU A 62 -1.905 -13.754 -11.175 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.771 -13.142 -12.259 1.00 1.85 O ATOM 951 OE2 GLU A 62 -2.667 -14.730 -11.042 1.00 1.75 O ATOM 0 H GLU A 62 0.902 -11.231 -10.318 1.00 0.68 H new ATOM 0 HA GLU A 62 0.741 -12.964 -8.108 1.00 0.73 H new ATOM 0 HB2 GLU A 62 0.714 -13.241 -11.122 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.569 -14.641 -10.077 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.460 -13.804 -9.085 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.252 -12.230 -9.827 1.00 1.45 H new ATOM 958 N GLY A 63 2.852 -14.083 -7.821 1.00 0.76 N ATOM 959 CA GLY A 63 4.128 -14.715 -7.574 1.00 0.86 C ATOM 960 C GLY A 63 4.982 -13.897 -6.637 1.00 0.80 C ATOM 961 O GLY A 63 6.002 -14.368 -6.132 1.00 0.92 O ATOM 0 H GLY A 63 2.193 -14.135 -7.044 1.00 0.76 H new ATOM 0 HA2 GLY A 63 3.967 -15.706 -7.149 1.00 0.86 H new ATOM 0 HA3 GLY A 63 4.654 -14.855 -8.518 1.00 0.86 H new ATOM 965 N GLY A 64 4.568 -12.659 -6.420 1.00 0.67 N ATOM 966 CA GLY A 64 5.234 -11.819 -5.461 1.00 0.66 C ATOM 967 C GLY A 64 4.592 -11.932 -4.108 1.00 0.63 C ATOM 968 O GLY A 64 3.471 -12.416 -3.988 1.00 0.99 O ATOM 0 H GLY A 64 3.778 -12.223 -6.896 1.00 0.67 H new ATOM 0 HA2 GLY A 64 6.285 -12.101 -5.393 1.00 0.66 H new ATOM 0 HA3 GLY A 64 5.203 -10.782 -5.797 1.00 0.66 H new ATOM 972 N PRO A 65 5.253 -11.430 -3.075 1.00 0.37 N ATOM 973 CA PRO A 65 4.847 -11.657 -1.689 1.00 0.27 C ATOM 974 C PRO A 65 3.623 -10.864 -1.294 1.00 0.23 C ATOM 975 O PRO A 65 2.889 -11.222 -0.371 1.00 0.29 O ATOM 976 CB PRO A 65 6.081 -11.208 -0.933 1.00 0.32 C ATOM 977 CG PRO A 65 6.631 -10.104 -1.757 1.00 0.43 C ATOM 978 CD PRO A 65 6.445 -10.560 -3.169 1.00 0.44 C ATOM 0 HA PRO A 65 4.550 -12.687 -1.491 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.831 -10.868 0.072 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.800 -12.021 -0.825 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.104 -9.169 -1.570 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.683 -9.928 -1.532 1.00 0.43 H new ATOM 0 HD2 PRO A 65 6.282 -9.722 -3.847 1.00 0.44 H new ATOM 0 HD3 PRO A 65 7.315 -11.104 -3.537 1.00 0.44 H new ATOM 986 N ALA A 66 3.406 -9.799 -2.018 1.00 0.22 N ATOM 987 CA ALA A 66 2.253 -8.961 -1.828 1.00 0.24 C ATOM 988 C ALA A 66 0.964 -9.710 -2.112 1.00 0.29 C ATOM 989 O ALA A 66 -0.072 -9.407 -1.536 1.00 0.36 O ATOM 990 CB ALA A 66 2.376 -7.775 -2.738 1.00 0.27 C ATOM 0 H ALA A 66 4.029 -9.486 -2.762 1.00 0.22 H new ATOM 0 HA ALA A 66 2.214 -8.640 -0.787 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.510 -7.126 -2.609 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.283 -7.222 -2.495 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.424 -8.114 -3.773 1.00 0.27 H new ATOM 996 N GLU A 67 1.029 -10.687 -3.002 1.00 0.30 N ATOM 997 CA GLU A 67 -0.135 -11.487 -3.332 1.00 0.42 C ATOM 998 C GLU A 67 -0.506 -12.358 -2.144 1.00 0.39 C ATOM 999 O GLU A 67 -1.681 -12.559 -1.838 1.00 0.45 O ATOM 1000 CB GLU A 67 0.156 -12.354 -4.555 1.00 0.53 C ATOM 1001 CG GLU A 67 -0.934 -13.366 -4.858 1.00 0.77 C ATOM 1002 CD GLU A 67 -0.410 -14.572 -5.606 1.00 1.08 C ATOM 1003 OE1 GLU A 67 0.479 -14.405 -6.466 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -0.883 -15.698 -5.333 1.00 1.79 O ATOM 0 H GLU A 67 1.877 -10.944 -3.508 1.00 0.30 H new ATOM 0 HA GLU A 67 -0.972 -10.828 -3.565 1.00 0.42 H new ATOM 0 HB2 GLU A 67 0.292 -11.709 -5.423 1.00 0.53 H new ATOM 0 HB3 GLU A 67 1.097 -12.882 -4.400 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.393 -13.692 -3.925 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -1.716 -12.888 -5.448 1.00 0.77 H new ATOM 1011 N ILE A 68 0.522 -12.840 -1.464 1.00 0.31 N ATOM 1012 CA ILE A 68 0.354 -13.705 -0.305 1.00 0.31 C ATOM 1013 C ILE A 68 -0.269 -12.932 0.854 1.00 0.28 C ATOM 1014 O ILE A 68 -1.175 -13.427 1.527 1.00 0.34 O ATOM 1015 CB ILE A 68 1.703 -14.327 0.141 1.00 0.30 C ATOM 1016 CG1 ILE A 68 2.228 -15.317 -0.904 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.572 -15.028 1.485 1.00 0.32 C ATOM 1018 CD1 ILE A 68 2.746 -14.679 -2.167 1.00 0.51 C ATOM 0 H ILE A 68 1.495 -12.644 -1.699 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.314 -14.515 -0.596 1.00 0.31 H new ATOM 0 HB ILE A 68 2.415 -13.508 0.241 1.00 0.30 H new ATOM 0 HG12 ILE A 68 3.027 -15.908 -0.457 1.00 0.39 H new ATOM 0 HG13 ILE A 68 1.427 -16.009 -1.164 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.535 -15.453 1.769 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.255 -14.309 2.241 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.832 -15.825 1.409 1.00 0.32 H new ATOM 0 HD11 ILE A 68 3.097 -15.454 -2.849 1.00 0.51 H new ATOM 0 HD12 ILE A 68 1.946 -14.112 -2.643 1.00 0.51 H new ATOM 0 HD13 ILE A 68 3.571 -14.009 -1.924 1.00 0.51 H new ATOM 1030 N ALA A 69 0.212 -11.714 1.080 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.369 -10.854 2.105 1.00 0.24 C ATOM 1032 C ALA A 69 -1.687 -10.282 1.607 1.00 0.31 C ATOM 1033 O ALA A 69 -2.527 -9.834 2.390 1.00 0.41 O ATOM 1034 CB ALA A 69 0.595 -9.742 2.488 1.00 0.24 C ATOM 0 H ALA A 69 0.995 -11.303 0.573 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.559 -11.449 2.999 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.140 -9.114 3.254 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.516 -10.177 2.876 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.821 -9.137 1.610 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.857 -10.308 0.291 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.091 -9.856 -0.313 1.00 0.41 C ATOM 1042 C GLY A 70 -3.101 -8.371 -0.614 1.00 0.36 C ATOM 1043 O GLY A 70 -3.829 -7.621 0.026 1.00 0.45 O ATOM 0 H GLY A 70 -1.155 -10.637 -0.371 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.259 -10.408 -1.238 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.921 -10.090 0.353 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.320 -7.947 -1.603 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.281 -6.538 -1.992 1.00 0.30 C ATOM 1049 C LEU A 71 -3.469 -6.150 -2.863 1.00 0.24 C ATOM 1050 O LEU A 71 -4.242 -6.994 -3.321 1.00 0.33 O ATOM 1051 CB LEU A 71 -0.967 -6.183 -2.691 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.059 -5.227 -1.912 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -0.783 -3.933 -1.588 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.430 -5.881 -0.638 1.00 0.87 C ATOM 0 H LEU A 71 -1.708 -8.554 -2.148 1.00 0.33 H new ATOM 0 HA LEU A 71 -2.344 -5.961 -1.069 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.417 -7.103 -2.888 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -1.196 -5.736 -3.658 1.00 0.38 H new ATOM 0 HG LEU A 71 0.800 -4.993 -2.541 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -0.116 -3.272 -1.035 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -1.090 -3.447 -2.514 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.663 -4.150 -0.983 1.00 0.89 H new ATOM 0 HD21 LEU A 71 1.074 -5.188 -0.097 1.00 0.87 H new ATOM 0 HD22 LEU A 71 -0.424 -6.146 -0.014 1.00 0.87 H new ATOM 0 HD23 LEU A 71 0.993 -6.782 -0.884 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.596 -4.849 -3.073 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.830 -4.246 -3.531 1.00 0.33 C ATOM 1068 C GLN A 72 -4.824 -3.746 -4.973 1.00 0.25 C ATOM 1069 O GLN A 72 -5.894 -3.580 -5.539 1.00 0.35 O ATOM 1070 CB GLN A 72 -5.094 -3.085 -2.603 1.00 0.60 C ATOM 1071 CG GLN A 72 -4.828 -3.454 -1.156 1.00 1.02 C ATOM 1072 CD GLN A 72 -5.810 -4.479 -0.663 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -5.598 -5.684 -0.753 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -6.900 -3.998 -0.155 1.00 0.64 N ATOM 0 H GLN A 72 -2.839 -4.181 -2.928 1.00 0.24 H new ATOM 0 HA GLN A 72 -5.601 -5.016 -3.515 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -4.463 -2.242 -2.886 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.129 -2.760 -2.712 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -3.814 -3.842 -1.058 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -4.889 -2.561 -0.534 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -7.035 -2.988 -0.100 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -7.624 -4.629 0.190 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.642 -3.499 -5.550 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.526 -2.866 -6.872 1.00 0.26 C ATOM 1085 C ILE A 73 -3.634 -1.333 -6.800 1.00 0.23 C ATOM 1086 O ILE A 73 -3.069 -0.652 -7.648 1.00 0.31 O ATOM 1087 CB ILE A 73 -4.563 -3.415 -7.907 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.868 -3.837 -9.203 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -5.652 -2.388 -8.228 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.224 -5.205 -9.145 1.00 0.77 C ATOM 0 H ILE A 73 -2.746 -3.729 -5.120 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.528 -3.130 -7.222 1.00 0.26 H new ATOM 0 HB ILE A 73 -5.035 -4.283 -7.447 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -4.597 -3.825 -10.013 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.105 -3.099 -9.450 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -6.350 -2.811 -8.950 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -6.188 -2.128 -7.315 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -5.195 -1.492 -8.648 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -2.754 -5.427 -10.103 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -2.469 -5.219 -8.359 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.984 -5.956 -8.931 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.287 -0.785 -5.765 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.699 0.612 -5.824 1.00 0.25 C ATOM 1104 C GLY A 74 -5.248 1.116 -4.504 1.00 0.29 C ATOM 1105 O GLY A 74 -6.344 1.660 -4.449 1.00 0.37 O ATOM 0 H GLY A 74 -4.532 -1.275 -4.905 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -3.847 1.226 -6.117 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.458 0.730 -6.597 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.471 0.939 -3.451 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.907 1.280 -2.090 1.00 0.34 C ATOM 1111 C ASP A 75 -3.951 2.291 -1.458 1.00 0.30 C ATOM 1112 O ASP A 75 -2.757 2.269 -1.742 1.00 0.35 O ATOM 1113 CB ASP A 75 -5.001 0.027 -1.212 1.00 0.44 C ATOM 1114 CG ASP A 75 -6.438 -0.343 -0.826 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -7.373 0.375 -1.240 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -6.643 -1.350 -0.120 1.00 0.89 O ATOM 0 H ASP A 75 -3.526 0.559 -3.503 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.899 1.727 -2.159 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -4.548 -0.812 -1.740 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.418 0.185 -0.304 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.471 3.137 -0.573 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.692 4.231 0.019 1.00 0.28 C ATOM 1123 C LYS A 76 -2.848 3.735 1.193 1.00 0.28 C ATOM 1124 O LYS A 76 -3.377 3.382 2.236 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.621 5.346 0.518 1.00 0.34 C ATOM 1126 CG LYS A 76 -5.539 5.940 -0.544 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.420 7.030 0.053 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.419 7.596 -0.951 1.00 1.55 C ATOM 1129 NZ LYS A 76 -6.749 8.198 -2.134 1.00 2.20 N ATOM 0 H LYS A 76 -5.436 3.088 -0.245 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.034 4.618 -0.759 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.234 4.952 1.329 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.011 6.146 0.939 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -4.942 6.353 -1.358 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.163 5.155 -0.972 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -6.961 6.626 0.909 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -5.790 7.837 0.426 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -8.089 6.802 -1.281 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -8.035 8.351 -0.462 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -7.459 8.659 -2.738 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.054 8.904 -1.817 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.265 7.453 -2.675 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.544 3.752 1.037 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.637 3.220 2.045 1.00 0.27 C ATOM 1145 C ILE A 77 -0.316 4.254 3.108 1.00 0.25 C ATOM 1146 O ILE A 77 0.214 5.361 2.807 1.00 0.29 O ATOM 1147 CB ILE A 77 0.672 2.767 1.412 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.411 1.703 0.363 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.662 2.274 2.462 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.429 1.739 -0.743 1.00 0.49 C ATOM 0 H ILE A 77 -1.077 4.132 0.214 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.144 2.372 2.506 1.00 0.27 H new ATOM 0 HB ILE A 77 1.125 3.629 0.923 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.422 0.720 0.834 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.585 1.844 -0.057 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.584 1.959 1.973 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.880 3.080 3.163 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.231 1.430 3.001 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.203 0.960 -1.471 1.00 0.49 H new ATOM 0 HD12 ILE A 77 1.400 2.713 -1.232 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.423 1.570 -0.328 1.00 0.49 H new ATOM 1162 N MET A 78 -0.635 3.848 4.343 1.00 0.22 N ATOM 1163 CA MET A 78 -0.448 4.644 5.538 1.00 0.24 C ATOM 1164 C MET A 78 0.920 4.446 6.168 1.00 0.24 C ATOM 1165 O MET A 78 1.367 5.275 6.961 1.00 0.30 O ATOM 1166 CB MET A 78 -1.516 4.305 6.582 1.00 0.33 C ATOM 1167 CG MET A 78 -2.953 4.478 6.120 1.00 0.32 C ATOM 1168 SD MET A 78 -3.377 6.193 5.772 1.00 0.75 S ATOM 1169 CE MET A 78 -2.625 6.381 4.162 1.00 1.06 C ATOM 0 H MET A 78 -1.040 2.931 4.532 1.00 0.22 H new ATOM 0 HA MET A 78 -0.533 5.685 5.225 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.376 3.272 6.899 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.356 4.932 7.459 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.115 3.880 5.223 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.625 4.092 6.887 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.209 7.084 3.567 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.609 6.759 4.277 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.597 5.415 3.658 1.00 1.06 H new ATOM 1179 N GLN A 79 1.578 3.349 5.845 1.00 0.23 N ATOM 1180 CA GLN A 79 2.842 3.032 6.489 1.00 0.23 C ATOM 1181 C GLN A 79 3.586 1.916 5.776 1.00 0.24 C ATOM 1182 O GLN A 79 2.981 1.071 5.115 1.00 0.24 O ATOM 1183 CB GLN A 79 2.607 2.661 7.961 1.00 0.26 C ATOM 1184 CG GLN A 79 3.463 1.497 8.438 1.00 0.54 C ATOM 1185 CD GLN A 79 3.425 1.295 9.930 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.498 0.164 10.413 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.368 2.386 10.669 1.00 0.43 N ATOM 0 H GLN A 79 1.266 2.670 5.151 1.00 0.23 H new ATOM 0 HA GLN A 79 3.468 3.923 6.435 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.812 3.532 8.584 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.556 2.410 8.101 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.127 0.584 7.947 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.495 1.664 8.128 1.00 0.54 H new ATOM 0 HE21 GLN A 79 3.308 3.301 10.223 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.384 2.314 11.686 1.00 0.43 H new ATOM 1196 N VAL A 80 4.903 1.922 5.930 1.00 0.28 N ATOM 1197 CA VAL A 80 5.735 0.858 5.416 1.00 0.35 C ATOM 1198 C VAL A 80 6.832 0.518 6.424 1.00 0.31 C ATOM 1199 O VAL A 80 7.553 1.395 6.903 1.00 0.31 O ATOM 1200 CB VAL A 80 6.348 1.204 4.037 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.336 2.356 4.133 1.00 0.85 C ATOM 1202 CG2 VAL A 80 7.007 -0.019 3.426 1.00 1.31 C ATOM 0 H VAL A 80 5.415 2.661 6.412 1.00 0.28 H new ATOM 0 HA VAL A 80 5.098 -0.014 5.269 1.00 0.35 H new ATOM 0 HB VAL A 80 5.535 1.525 3.386 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.744 2.569 3.145 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.827 3.241 4.513 1.00 0.85 H new ATOM 0 HG13 VAL A 80 8.146 2.085 4.810 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.432 0.243 2.457 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.799 -0.374 4.086 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.264 -0.806 3.295 1.00 1.31 H new ATOM 1212 N ASN A 81 6.894 -0.757 6.781 1.00 0.34 N ATOM 1213 CA ASN A 81 7.895 -1.285 7.703 1.00 0.38 C ATOM 1214 C ASN A 81 7.961 -0.520 9.020 1.00 0.34 C ATOM 1215 O ASN A 81 9.017 -0.451 9.649 1.00 0.40 O ATOM 1216 CB ASN A 81 9.269 -1.315 7.038 1.00 0.46 C ATOM 1217 CG ASN A 81 9.417 -2.490 6.097 1.00 0.70 C ATOM 1218 OD1 ASN A 81 9.187 -2.382 4.895 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.760 -3.638 6.654 1.00 1.18 N ATOM 0 H ASN A 81 6.244 -1.463 6.436 1.00 0.34 H new ATOM 0 HA ASN A 81 7.585 -2.301 7.948 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.426 -0.387 6.487 1.00 0.46 H new ATOM 0 HB3 ASN A 81 10.042 -1.365 7.805 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.842 -4.478 6.081 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.942 -3.684 7.657 1.00 1.18 H new ATOM 1226 N GLY A 82 6.835 0.037 9.447 1.00 0.32 N ATOM 1227 CA GLY A 82 6.796 0.702 10.734 1.00 0.34 C ATOM 1228 C GLY A 82 6.931 2.206 10.623 1.00 0.31 C ATOM 1229 O GLY A 82 6.737 2.921 11.604 1.00 0.38 O ATOM 0 H GLY A 82 5.956 0.041 8.930 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.857 0.462 11.233 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.599 0.315 11.362 1.00 0.34 H new ATOM 1233 N TRP A 83 7.279 2.695 9.440 1.00 0.28 N ATOM 1234 CA TRP A 83 7.323 4.131 9.208 1.00 0.28 C ATOM 1235 C TRP A 83 5.941 4.653 8.939 1.00 0.29 C ATOM 1236 O TRP A 83 5.103 3.957 8.390 1.00 0.48 O ATOM 1237 CB TRP A 83 8.229 4.496 8.041 1.00 0.30 C ATOM 1238 CG TRP A 83 9.658 4.241 8.320 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.320 3.093 8.073 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.596 5.139 8.912 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.627 3.216 8.453 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.820 4.460 8.979 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.525 6.453 9.378 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.964 5.038 9.501 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.668 7.028 9.904 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.873 6.320 9.956 1.00 0.76 C ATOM 0 H TRP A 83 7.533 2.124 8.634 1.00 0.28 H new ATOM 0 HA TRP A 83 7.730 4.589 10.110 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.928 3.926 7.162 1.00 0.30 H new ATOM 0 HB3 TRP A 83 8.094 5.550 7.799 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.882 2.206 7.639 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.342 2.495 8.359 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.600 7.008 9.329 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.895 4.493 9.546 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.629 8.040 10.280 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.750 6.799 10.365 1.00 0.76 H new ATOM 1257 N ASP A 84 5.728 5.882 9.314 1.00 0.39 N ATOM 1258 CA ASP A 84 4.412 6.499 9.217 1.00 0.41 C ATOM 1259 C ASP A 84 4.344 7.458 8.043 1.00 0.40 C ATOM 1260 O ASP A 84 4.836 8.586 8.110 1.00 0.59 O ATOM 1261 CB ASP A 84 4.091 7.233 10.514 1.00 0.62 C ATOM 1262 CG ASP A 84 2.671 7.770 10.553 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.744 6.991 10.870 1.00 1.89 O ATOM 1264 OD2 ASP A 84 2.477 8.961 10.245 1.00 1.28 O ATOM 0 H ASP A 84 6.451 6.492 9.696 1.00 0.39 H new ATOM 0 HA ASP A 84 3.674 5.714 9.053 1.00 0.41 H new ATOM 0 HB2 ASP A 84 4.241 6.556 11.355 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.790 8.059 10.641 1.00 0.62 H new ATOM 1269 N MET A 85 3.805 6.978 6.939 1.00 0.36 N ATOM 1270 CA MET A 85 3.619 7.806 5.766 1.00 0.46 C ATOM 1271 C MET A 85 2.148 8.025 5.478 1.00 0.36 C ATOM 1272 O MET A 85 1.485 7.162 4.920 1.00 0.56 O ATOM 1273 CB MET A 85 4.314 7.211 4.539 1.00 0.76 C ATOM 1274 CG MET A 85 4.274 5.696 4.444 1.00 0.49 C ATOM 1275 SD MET A 85 5.477 4.914 5.539 1.00 1.01 S ATOM 1276 CE MET A 85 6.989 5.739 5.047 1.00 0.44 C ATOM 0 H MET A 85 3.487 6.015 6.831 1.00 0.36 H new ATOM 0 HA MET A 85 4.078 8.771 5.981 1.00 0.46 H new ATOM 0 HB2 MET A 85 3.854 7.627 3.643 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.356 7.532 4.540 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.273 5.344 4.695 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.470 5.393 3.416 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.816 5.030 5.076 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.879 6.127 4.034 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.193 6.563 5.731 1.00 0.44 H new ATOM 1286 N THR A 86 1.647 9.184 5.836 1.00 0.31 N ATOM 1287 CA THR A 86 0.289 9.550 5.488 1.00 0.35 C ATOM 1288 C THR A 86 0.284 10.440 4.277 1.00 0.46 C ATOM 1289 O THR A 86 -0.643 10.432 3.477 1.00 1.05 O ATOM 1290 CB THR A 86 -0.386 10.282 6.641 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.565 11.117 7.314 1.00 0.47 O ATOM 1292 CG2 THR A 86 -0.976 9.290 7.603 1.00 0.37 C ATOM 0 H THR A 86 2.156 9.890 6.367 1.00 0.31 H new ATOM 0 HA THR A 86 -0.260 8.633 5.274 1.00 0.35 H new ATOM 0 HB THR A 86 -1.186 10.908 6.245 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.124 11.586 8.053 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.457 9.821 8.424 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.714 8.677 7.086 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.186 8.651 7.997 1.00 0.37 H new ATOM 1300 N MET A 87 1.329 11.234 4.172 1.00 0.56 N ATOM 1301 CA MET A 87 1.458 12.172 3.081 1.00 0.65 C ATOM 1302 C MET A 87 2.876 12.160 2.542 1.00 0.76 C ATOM 1303 O MET A 87 3.116 12.614 1.438 1.00 1.49 O ATOM 1304 CB MET A 87 1.146 13.581 3.582 1.00 0.84 C ATOM 1305 CG MET A 87 0.203 13.613 4.791 1.00 0.97 C ATOM 1306 SD MET A 87 -0.097 15.283 5.402 1.00 1.36 S ATOM 1307 CE MET A 87 -1.104 14.932 6.842 1.00 1.62 C ATOM 0 H MET A 87 2.105 11.247 4.834 1.00 0.56 H new ATOM 0 HA MET A 87 0.763 11.885 2.292 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.079 14.077 3.848 1.00 0.84 H new ATOM 0 HB3 MET A 87 0.700 14.155 2.770 1.00 0.84 H new ATOM 0 HG2 MET A 87 -0.748 13.156 4.516 1.00 0.97 H new ATOM 0 HG3 MET A 87 0.628 13.009 5.593 1.00 0.97 H new ATOM 0 HE1 MET A 87 -1.374 15.867 7.334 1.00 1.62 H new ATOM 0 HE2 MET A 87 -2.009 14.409 6.534 1.00 1.62 H new ATOM 0 HE3 MET A 87 -0.542 14.306 7.535 1.00 1.62 H new ATOM 1317 N VAL A 88 3.801 11.585 3.311 1.00 0.40 N ATOM 1318 CA VAL A 88 5.231 11.823 3.128 1.00 0.45 C ATOM 1319 C VAL A 88 5.686 11.482 1.705 1.00 0.36 C ATOM 1320 O VAL A 88 4.942 10.908 0.932 1.00 0.39 O ATOM 1321 CB VAL A 88 6.038 11.021 4.166 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.293 9.609 3.681 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.330 11.741 4.532 1.00 1.09 C ATOM 0 H VAL A 88 3.581 10.945 4.074 1.00 0.40 H new ATOM 0 HA VAL A 88 5.416 12.886 3.280 1.00 0.45 H new ATOM 0 HB VAL A 88 5.443 10.947 5.077 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.865 9.064 4.432 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.341 9.105 3.513 1.00 0.72 H new ATOM 0 HG13 VAL A 88 6.857 9.641 2.749 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.879 11.152 5.266 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.941 11.868 3.639 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.095 12.718 4.953 1.00 1.09 H new ATOM 1333 N THR A 89 6.900 11.856 1.363 1.00 0.31 N ATOM 1334 CA THR A 89 7.399 11.692 0.015 1.00 0.28 C ATOM 1335 C THR A 89 7.322 10.224 -0.448 1.00 0.26 C ATOM 1336 O THR A 89 7.473 9.303 0.355 1.00 0.26 O ATOM 1337 CB THR A 89 8.847 12.219 -0.053 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.673 11.529 0.883 1.00 0.32 O ATOM 1339 CG2 THR A 89 8.883 13.708 0.267 1.00 0.35 C ATOM 0 H THR A 89 7.566 12.280 2.008 1.00 0.31 H new ATOM 0 HA THR A 89 6.770 12.267 -0.664 1.00 0.28 H new ATOM 0 HB THR A 89 9.220 12.050 -1.063 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.611 11.601 0.607 1.00 0.32 H new ATOM 0 HG21 THR A 89 9.911 14.067 0.215 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.273 14.250 -0.455 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.491 13.874 1.270 1.00 0.35 H new ATOM 1347 N HIS A 90 7.046 10.008 -1.739 1.00 0.26 N ATOM 1348 CA HIS A 90 7.040 8.663 -2.327 1.00 0.25 C ATOM 1349 C HIS A 90 8.366 8.026 -2.073 1.00 0.27 C ATOM 1350 O HIS A 90 8.477 6.830 -1.831 1.00 0.30 O ATOM 1351 CB HIS A 90 6.821 8.756 -3.835 1.00 0.25 C ATOM 1352 CG HIS A 90 6.642 7.449 -4.555 1.00 0.26 C ATOM 1353 ND1 HIS A 90 6.662 7.341 -5.931 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.369 6.207 -4.093 1.00 0.27 C ATOM 1355 CE1 HIS A 90 6.399 6.095 -6.278 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.227 5.388 -5.182 1.00 0.32 N ATOM 0 H HIS A 90 6.823 10.752 -2.400 1.00 0.26 H new ATOM 0 HA HIS A 90 6.239 8.074 -1.881 1.00 0.25 H new ATOM 0 HB2 HIS A 90 5.941 9.372 -4.017 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.672 9.277 -4.275 1.00 0.25 H new ATOM 0 HD1 HIS A 90 6.851 8.106 -6.579 1.00 0.32 H new ATOM 0 HD2 HIS A 90 6.280 5.915 -3.057 1.00 0.27 H new ATOM 0 HE1 HIS A 90 6.336 5.720 -7.289 1.00 0.35 H new ATOM 1365 N ASP A 91 9.360 8.871 -2.114 1.00 0.31 N ATOM 1366 CA ASP A 91 10.735 8.425 -1.916 1.00 0.34 C ATOM 1367 C ASP A 91 10.944 7.996 -0.492 1.00 0.32 C ATOM 1368 O ASP A 91 11.705 7.069 -0.225 1.00 0.33 O ATOM 1369 CB ASP A 91 11.762 9.487 -2.290 1.00 0.41 C ATOM 1370 CG ASP A 91 11.585 10.812 -1.567 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.872 10.874 -0.356 1.00 1.67 O ATOM 1372 OD2 ASP A 91 11.154 11.794 -2.202 1.00 1.45 O ATOM 0 H ASP A 91 9.256 9.872 -2.281 1.00 0.31 H new ATOM 0 HA ASP A 91 10.888 7.579 -2.586 1.00 0.34 H new ATOM 0 HB2 ASP A 91 12.759 9.102 -2.078 1.00 0.41 H new ATOM 0 HB3 ASP A 91 11.710 9.663 -3.364 1.00 0.41 H new ATOM 1377 N GLN A 92 10.245 8.642 0.419 1.00 0.31 N ATOM 1378 CA GLN A 92 10.339 8.297 1.798 1.00 0.32 C ATOM 1379 C GLN A 92 9.852 6.879 1.958 1.00 0.29 C ATOM 1380 O GLN A 92 10.518 6.041 2.547 1.00 0.31 O ATOM 1381 CB GLN A 92 9.467 9.240 2.603 1.00 0.36 C ATOM 1382 CG GLN A 92 9.430 8.928 4.064 1.00 0.42 C ATOM 1383 CD GLN A 92 10.694 9.336 4.780 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.654 8.571 4.865 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.687 10.537 5.321 1.00 0.62 N ATOM 0 H GLN A 92 9.606 9.411 0.214 1.00 0.31 H new ATOM 0 HA GLN A 92 11.367 8.378 2.151 1.00 0.32 H new ATOM 0 HB2 GLN A 92 9.829 10.259 2.468 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.452 9.207 2.208 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.580 9.437 4.518 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.270 7.858 4.199 1.00 0.42 H new ATOM 0 HE21 GLN A 92 9.867 11.136 5.223 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.502 10.868 5.837 1.00 0.62 H new ATOM 1394 N ALA A 93 8.706 6.606 1.360 1.00 0.27 N ATOM 1395 CA ALA A 93 8.064 5.313 1.548 1.00 0.28 C ATOM 1396 C ALA A 93 8.769 4.250 0.717 1.00 0.28 C ATOM 1397 O ALA A 93 8.886 3.097 1.123 1.00 0.33 O ATOM 1398 CB ALA A 93 6.579 5.389 1.229 1.00 0.33 C ATOM 0 H ALA A 93 8.205 7.250 0.748 1.00 0.27 H new ATOM 0 HA ALA A 93 8.150 5.029 2.597 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.124 4.410 1.378 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.102 6.114 1.888 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.445 5.698 0.192 1.00 0.33 H new ATOM 1404 N ARG A 94 9.256 4.666 -0.442 1.00 0.27 N ATOM 1405 CA ARG A 94 9.984 3.779 -1.342 1.00 0.30 C ATOM 1406 C ARG A 94 11.288 3.330 -0.703 1.00 0.33 C ATOM 1407 O ARG A 94 11.652 2.154 -0.752 1.00 0.37 O ATOM 1408 CB ARG A 94 10.296 4.502 -2.653 1.00 0.34 C ATOM 1409 CG ARG A 94 10.862 3.599 -3.739 1.00 0.43 C ATOM 1410 CD ARG A 94 11.269 4.390 -4.976 1.00 0.57 C ATOM 1411 NE ARG A 94 12.197 5.475 -4.661 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.014 6.741 -5.043 1.00 1.41 C ATOM 1413 NH1 ARG A 94 10.961 7.069 -5.790 1.00 1.57 N ATOM 1414 NH2 ARG A 94 12.891 7.677 -4.696 1.00 2.10 N ATOM 0 H ARG A 94 9.160 5.622 -0.785 1.00 0.27 H new ATOM 0 HA ARG A 94 9.360 2.908 -1.542 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.384 4.971 -3.023 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.008 5.303 -2.454 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.727 3.061 -3.351 1.00 0.43 H new ATOM 0 HG3 ARG A 94 10.118 2.851 -4.014 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.732 3.718 -5.698 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.378 4.803 -5.450 1.00 0.57 H new ATOM 0 HE ARG A 94 13.032 5.252 -4.119 1.00 1.04 H new ATOM 0 HH11 ARG A 94 10.292 6.352 -6.071 1.00 1.57 H new ATOM 0 HH12 ARG A 94 10.823 8.037 -6.081 1.00 1.57 H new ATOM 0 HH21 ARG A 94 13.707 7.429 -4.136 1.00 2.10 H new ATOM 0 HH22 ARG A 94 12.748 8.643 -4.989 1.00 2.10 H new ATOM 1428 N LYS A 95 11.976 4.276 -0.087 1.00 0.33 N ATOM 1429 CA LYS A 95 13.262 4.026 0.499 1.00 0.40 C ATOM 1430 C LYS A 95 13.110 3.131 1.718 1.00 0.42 C ATOM 1431 O LYS A 95 13.908 2.219 1.939 1.00 0.46 O ATOM 1432 CB LYS A 95 13.899 5.370 0.867 1.00 0.46 C ATOM 1433 CG LYS A 95 15.298 5.284 1.433 1.00 0.64 C ATOM 1434 CD LYS A 95 15.280 4.891 2.903 1.00 0.56 C ATOM 1435 CE LYS A 95 16.481 4.037 3.282 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.750 4.811 3.233 1.00 0.96 N ATOM 0 H LYS A 95 11.650 5.237 0.016 1.00 0.33 H new ATOM 0 HA LYS A 95 13.910 3.509 -0.209 1.00 0.40 H new ATOM 0 HB2 LYS A 95 13.922 5.999 -0.023 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.260 5.870 1.595 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.877 4.554 0.867 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.798 6.246 1.318 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.267 5.791 3.518 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.363 4.343 3.120 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.339 3.636 4.286 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.549 3.185 2.605 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.544 4.193 3.498 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.899 5.173 2.269 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.696 5.609 3.898 1.00 0.96 H new ATOM 1450 N ARG A 96 12.078 3.394 2.505 1.00 0.45 N ATOM 1451 CA ARG A 96 11.840 2.636 3.722 1.00 0.51 C ATOM 1452 C ARG A 96 11.392 1.217 3.392 1.00 0.57 C ATOM 1453 O ARG A 96 11.529 0.305 4.202 1.00 0.72 O ATOM 1454 CB ARG A 96 10.802 3.323 4.615 1.00 0.55 C ATOM 1455 CG ARG A 96 11.140 4.765 4.961 1.00 0.59 C ATOM 1456 CD ARG A 96 12.538 4.915 5.540 1.00 0.72 C ATOM 1457 NE ARG A 96 12.910 6.322 5.694 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.956 6.749 6.399 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.747 5.886 7.020 1.00 1.58 N ATOM 1460 NH2 ARG A 96 14.216 8.048 6.478 1.00 3.57 N ATOM 0 H ARG A 96 11.392 4.127 2.322 1.00 0.45 H new ATOM 0 HA ARG A 96 12.781 2.591 4.271 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.834 3.298 4.115 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.699 2.753 5.539 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.054 5.380 4.065 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.411 5.143 5.678 1.00 0.59 H new ATOM 0 HD2 ARG A 96 12.586 4.417 6.509 1.00 0.72 H new ATOM 0 HD3 ARG A 96 13.257 4.417 4.889 1.00 0.72 H new ATOM 0 HE ARG A 96 12.330 7.022 5.231 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.557 4.886 6.960 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.546 6.222 7.558 1.00 1.58 H new ATOM 0 HH21 ARG A 96 13.615 8.718 5.999 1.00 3.57 H new ATOM 0 HH22 ARG A 96 15.017 8.376 7.018 1.00 3.57 H new ATOM 1474 N LEU A 97 10.840 1.054 2.203 1.00 0.52 N ATOM 1475 CA LEU A 97 10.349 -0.234 1.750 1.00 0.57 C ATOM 1476 C LEU A 97 11.468 -1.102 1.167 1.00 0.64 C ATOM 1477 O LEU A 97 11.576 -2.286 1.486 1.00 0.96 O ATOM 1478 CB LEU A 97 9.251 -0.006 0.708 1.00 0.70 C ATOM 1479 CG LEU A 97 8.852 -1.219 -0.123 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.453 -2.386 0.768 1.00 1.45 C ATOM 1481 CD2 LEU A 97 7.720 -0.851 -1.065 1.00 1.65 C ATOM 0 H LEU A 97 10.720 1.808 1.527 1.00 0.52 H new ATOM 0 HA LEU A 97 9.946 -0.772 2.608 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.364 0.365 1.221 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.580 0.781 0.030 1.00 0.70 H new ATOM 0 HG LEU A 97 9.714 -1.533 -0.712 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.173 -3.238 0.148 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.293 -2.661 1.405 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.606 -2.096 1.390 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.440 -1.723 -1.656 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.860 -0.514 -0.486 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.046 -0.051 -1.730 1.00 1.65 H new ATOM 1493 N THR A 98 12.324 -0.520 0.342 1.00 0.54 N ATOM 1494 CA THR A 98 13.263 -1.325 -0.417 1.00 0.65 C ATOM 1495 C THR A 98 14.659 -1.167 0.113 1.00 0.74 C ATOM 1496 O THR A 98 15.504 -0.455 -0.433 1.00 1.53 O ATOM 1497 CB THR A 98 13.222 -1.036 -1.929 1.00 0.92 C ATOM 1498 OG1 THR A 98 11.867 -0.794 -2.331 1.00 1.15 O ATOM 1499 CG2 THR A 98 13.782 -2.224 -2.715 1.00 1.12 C ATOM 0 H THR A 98 12.387 0.486 0.184 1.00 0.54 H new ATOM 0 HA THR A 98 12.950 -2.361 -0.288 1.00 0.65 H new ATOM 0 HB THR A 98 13.833 -0.157 -2.137 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.839 -0.608 -3.293 1.00 1.15 H new ATOM 0 HG21 THR A 98 13.746 -2.004 -3.782 1.00 1.12 H new ATOM 0 HG22 THR A 98 14.815 -2.404 -2.416 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.185 -3.112 -2.507 1.00 1.12 H new ATOM 1507 N LYS A 99 14.846 -1.814 1.229 1.00 0.79 N ATOM 1508 CA LYS A 99 16.116 -1.934 1.876 1.00 1.12 C ATOM 1509 C LYS A 99 16.532 -3.387 1.880 1.00 1.36 C ATOM 1510 O LYS A 99 15.791 -4.241 2.370 1.00 2.28 O ATOM 1511 CB LYS A 99 15.957 -1.446 3.296 1.00 1.29 C ATOM 1512 CG LYS A 99 16.407 -0.026 3.543 1.00 1.18 C ATOM 1513 CD LYS A 99 15.854 0.446 4.873 1.00 1.56 C ATOM 1514 CE LYS A 99 14.344 0.275 4.896 1.00 1.98 C ATOM 1515 NZ LYS A 99 13.812 0.052 6.267 1.00 2.72 N ATOM 0 H LYS A 99 14.092 -2.287 1.727 1.00 0.79 H new ATOM 0 HA LYS A 99 16.875 -1.348 1.357 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.907 -1.531 3.577 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.518 -2.108 3.955 1.00 1.29 H new ATOM 0 HG2 LYS A 99 17.496 0.028 3.548 1.00 1.18 H new ATOM 0 HG3 LYS A 99 16.060 0.624 2.740 1.00 1.18 H new ATOM 0 HD2 LYS A 99 16.305 -0.122 5.686 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.113 1.493 5.033 1.00 1.56 H new ATOM 0 HE2 LYS A 99 13.876 1.162 4.469 1.00 1.98 H new ATOM 0 HE3 LYS A 99 14.068 -0.568 4.262 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 12.838 -0.307 6.207 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 14.407 -0.643 6.761 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 13.819 0.950 6.792 1.00 2.72 H new ATOM 1529 N ARG A 100 17.702 -3.668 1.334 1.00 1.04 N ATOM 1530 CA ARG A 100 18.247 -5.028 1.322 1.00 1.17 C ATOM 1531 C ARG A 100 18.655 -5.476 2.733 1.00 1.12 C ATOM 1532 O ARG A 100 19.659 -6.164 2.910 1.00 1.39 O ATOM 1533 CB ARG A 100 19.473 -5.110 0.401 1.00 1.55 C ATOM 1534 CG ARG A 100 19.181 -4.836 -1.062 1.00 2.10 C ATOM 1535 CD ARG A 100 20.424 -5.025 -1.919 1.00 2.50 C ATOM 1536 NE ARG A 100 21.057 -6.328 -1.696 1.00 3.10 N ATOM 1537 CZ ARG A 100 21.919 -6.899 -2.540 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.273 -6.289 -3.661 1.00 3.60 N ATOM 1539 NH2 ARG A 100 22.439 -8.088 -2.259 1.00 4.38 N ATOM 0 H ARG A 100 18.301 -2.973 0.889 1.00 1.04 H new ATOM 0 HA ARG A 100 17.463 -5.688 0.951 1.00 1.17 H new ATOM 0 HB2 ARG A 100 20.221 -4.397 0.749 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.913 -6.103 0.491 1.00 1.55 H new ATOM 0 HG2 ARG A 100 18.393 -5.504 -1.409 1.00 2.10 H new ATOM 0 HG3 ARG A 100 18.809 -3.818 -1.176 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.156 -4.928 -2.971 1.00 2.50 H new ATOM 0 HD3 ARG A 100 21.139 -4.233 -1.698 1.00 2.50 H new ATOM 0 HE ARG A 100 20.824 -6.831 -0.840 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.886 -5.373 -3.887 1.00 3.60 H new ATOM 0 HH12 ARG A 100 22.933 -6.735 -4.298 1.00 3.60 H new ATOM 0 HH21 ARG A 100 22.180 -8.567 -1.397 1.00 4.38 H new ATOM 0 HH22 ARG A 100 23.098 -8.522 -2.906 1.00 4.38 H new ATOM 1553 N SER A 101 17.845 -5.129 3.721 1.00 1.05 N ATOM 1554 CA SER A 101 18.183 -5.347 5.119 1.00 1.37 C ATOM 1555 C SER A 101 16.979 -5.893 5.867 1.00 1.22 C ATOM 1556 O SER A 101 17.112 -6.798 6.693 1.00 1.64 O ATOM 1557 CB SER A 101 18.643 -4.036 5.756 1.00 1.90 C ATOM 1558 OG SER A 101 19.687 -3.445 4.999 1.00 2.51 O ATOM 0 H SER A 101 16.936 -4.689 3.577 1.00 1.05 H new ATOM 0 HA SER A 101 18.994 -6.073 5.177 1.00 1.37 H new ATOM 0 HB2 SER A 101 17.802 -3.346 5.825 1.00 1.90 H new ATOM 0 HB3 SER A 101 18.987 -4.222 6.774 1.00 1.90 H new ATOM 0 HG SER A 101 19.965 -2.607 5.424 1.00 2.51 H new ATOM 1564 N GLU A 102 15.805 -5.333 5.572 1.00 1.06 N ATOM 1565 CA GLU A 102 14.560 -5.823 6.153 1.00 1.19 C ATOM 1566 C GLU A 102 14.404 -7.303 5.838 1.00 0.93 C ATOM 1567 O GLU A 102 14.747 -7.742 4.741 1.00 1.34 O ATOM 1568 CB GLU A 102 13.354 -5.070 5.583 1.00 1.63 C ATOM 1569 CG GLU A 102 13.469 -3.554 5.634 1.00 2.12 C ATOM 1570 CD GLU A 102 13.644 -3.011 7.035 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.779 -3.273 7.900 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.633 -2.280 7.265 1.00 2.95 O ATOM 0 H GLU A 102 15.693 -4.543 4.936 1.00 1.06 H new ATOM 0 HA GLU A 102 14.600 -5.663 7.230 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.209 -5.375 4.547 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.462 -5.372 6.132 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.315 -3.241 5.023 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.575 -3.114 5.191 1.00 2.12 H new ATOM 1579 N GLU A 103 13.912 -8.075 6.794 1.00 0.74 N ATOM 1580 CA GLU A 103 13.659 -9.490 6.563 1.00 0.68 C ATOM 1581 C GLU A 103 12.161 -9.726 6.378 1.00 0.54 C ATOM 1582 O GLU A 103 11.733 -10.740 5.828 1.00 0.61 O ATOM 1583 CB GLU A 103 14.215 -10.334 7.721 1.00 0.95 C ATOM 1584 CG GLU A 103 13.424 -10.230 9.015 1.00 1.37 C ATOM 1585 CD GLU A 103 12.609 -11.476 9.295 1.00 2.16 C ATOM 1586 OE1 GLU A 103 12.423 -12.283 8.364 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.144 -11.649 10.444 1.00 2.68 O ATOM 0 H GLU A 103 13.681 -7.749 7.732 1.00 0.74 H new ATOM 0 HA GLU A 103 14.172 -9.799 5.652 1.00 0.68 H new ATOM 0 HB2 GLU A 103 14.244 -11.379 7.411 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.244 -10.030 7.914 1.00 0.95 H new ATOM 0 HG2 GLU A 103 14.110 -10.054 9.844 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.759 -9.368 8.963 1.00 1.37 H new ATOM 1594 N VAL A 104 11.381 -8.745 6.794 1.00 0.40 N ATOM 1595 CA VAL A 104 9.934 -8.814 6.734 1.00 0.33 C ATOM 1596 C VAL A 104 9.408 -7.429 6.388 1.00 0.29 C ATOM 1597 O VAL A 104 10.041 -6.432 6.719 1.00 0.34 O ATOM 1598 CB VAL A 104 9.330 -9.329 8.070 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.870 -8.550 9.252 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.807 -9.284 8.054 1.00 0.37 C ATOM 0 H VAL A 104 11.737 -7.873 7.185 1.00 0.40 H new ATOM 0 HA VAL A 104 9.634 -9.528 5.967 1.00 0.33 H new ATOM 0 HB VAL A 104 9.633 -10.371 8.177 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.429 -8.933 10.172 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.954 -8.660 9.296 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.616 -7.496 9.140 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.422 -9.652 9.005 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.475 -8.257 7.901 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.433 -9.911 7.244 1.00 0.37 H new ATOM 1610 N VAL A 105 8.274 -7.363 5.716 1.00 0.28 N ATOM 1611 CA VAL A 105 7.794 -6.116 5.170 1.00 0.28 C ATOM 1612 C VAL A 105 6.404 -5.802 5.651 1.00 0.26 C ATOM 1613 O VAL A 105 5.453 -6.563 5.456 1.00 0.26 O ATOM 1614 CB VAL A 105 7.821 -6.104 3.645 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.084 -4.888 3.124 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.253 -6.099 3.179 1.00 0.46 C ATOM 0 H VAL A 105 7.669 -8.164 5.537 1.00 0.28 H new ATOM 0 HA VAL A 105 8.477 -5.346 5.529 1.00 0.28 H new ATOM 0 HB VAL A 105 7.323 -6.994 3.259 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.108 -4.887 2.034 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.049 -4.917 3.464 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.564 -3.984 3.498 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.281 -6.090 2.089 1.00 0.46 H new ATOM 0 HG22 VAL A 105 9.757 -5.212 3.562 1.00 0.46 H new ATOM 0 HG23 VAL A 105 9.759 -6.991 3.548 1.00 0.46 H new ATOM 1626 N ARG A 106 6.329 -4.687 6.320 1.00 0.29 N ATOM 1627 CA ARG A 106 5.122 -4.233 6.937 1.00 0.28 C ATOM 1628 C ARG A 106 4.452 -3.171 6.088 1.00 0.26 C ATOM 1629 O ARG A 106 5.107 -2.254 5.608 1.00 0.32 O ATOM 1630 CB ARG A 106 5.459 -3.719 8.320 1.00 0.35 C ATOM 1631 CG ARG A 106 5.956 -4.816 9.245 1.00 0.43 C ATOM 1632 CD ARG A 106 7.355 -5.308 8.880 1.00 0.54 C ATOM 1633 NE ARG A 106 8.181 -5.548 10.067 1.00 0.81 N ATOM 1634 CZ ARG A 106 7.858 -6.382 11.073 1.00 1.26 C ATOM 1635 NH1 ARG A 106 6.726 -7.077 11.062 1.00 1.76 N ATOM 1636 NH2 ARG A 106 8.675 -6.517 12.104 1.00 1.46 N ATOM 0 H ARG A 106 7.121 -4.059 6.453 1.00 0.29 H new ATOM 0 HA ARG A 106 4.411 -5.055 7.026 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.221 -2.943 8.240 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.575 -3.254 8.756 1.00 0.35 H new ATOM 0 HG2 ARG A 106 5.962 -4.446 10.270 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.261 -5.655 9.213 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.276 -6.228 8.302 1.00 0.54 H new ATOM 0 HD3 ARG A 106 7.843 -4.571 8.242 1.00 0.54 H new ATOM 0 HE ARG A 106 9.066 -5.046 10.136 1.00 0.81 H new ATOM 0 HH11 ARG A 106 6.079 -6.985 10.279 1.00 1.76 H new ATOM 0 HH12 ARG A 106 6.504 -7.703 11.837 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.548 -5.990 12.136 1.00 1.46 H new ATOM 0 HH22 ARG A 106 8.433 -7.148 12.868 1.00 1.46 H new ATOM 1650 N LEU A 107 3.165 -3.300 5.894 1.00 0.24 N ATOM 1651 CA LEU A 107 2.422 -2.338 5.102 1.00 0.24 C ATOM 1652 C LEU A 107 1.161 -1.924 5.837 1.00 0.21 C ATOM 1653 O LEU A 107 0.435 -2.776 6.354 1.00 0.28 O ATOM 1654 CB LEU A 107 2.057 -2.947 3.747 1.00 0.37 C ATOM 1655 CG LEU A 107 1.513 -1.960 2.716 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.625 -1.058 2.204 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.847 -2.699 1.567 1.00 1.12 C ATOM 0 H LEU A 107 2.603 -4.062 6.272 1.00 0.24 H new ATOM 0 HA LEU A 107 3.045 -1.458 4.941 1.00 0.24 H new ATOM 0 HB2 LEU A 107 2.943 -3.429 3.333 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.314 -3.728 3.906 1.00 0.37 H new ATOM 0 HG LEU A 107 0.762 -1.336 3.200 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.220 -0.361 1.470 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.053 -0.500 3.037 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.400 -1.665 1.737 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.466 -1.979 0.843 1.00 1.12 H new ATOM 0 HD22 LEU A 107 1.575 -3.350 1.082 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.022 -3.299 1.950 1.00 1.12 H new ATOM 1669 N LEU A 108 0.896 -0.629 5.908 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.355 -0.170 6.425 1.00 0.15 C ATOM 1671 C LEU A 108 -1.113 0.385 5.253 1.00 0.15 C ATOM 1672 O LEU A 108 -0.670 1.341 4.642 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.118 0.894 7.485 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.358 1.414 8.198 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.182 0.245 8.719 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -0.944 2.327 9.346 1.00 0.26 C ATOM 0 H LEU A 108 1.536 0.109 5.612 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.919 -0.972 6.902 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.563 0.488 8.233 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.389 1.738 7.017 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.967 1.985 7.497 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.068 0.623 9.228 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.485 -0.387 7.884 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.583 -0.339 9.418 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.834 2.698 9.855 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.329 1.768 10.051 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.373 3.169 8.954 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.209 -0.229 4.892 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.896 0.176 3.699 1.00 0.21 C ATOM 1690 C VAL A 109 -4.310 0.585 4.023 1.00 0.22 C ATOM 1691 O VAL A 109 -4.958 0.001 4.882 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.874 -0.951 2.644 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.135 -1.793 2.660 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.617 -0.397 1.262 1.00 0.77 C ATOM 0 H VAL A 109 -2.639 -1.001 5.401 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.378 1.037 3.277 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.050 -1.611 2.913 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.064 -2.569 1.898 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.251 -2.256 3.640 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.998 -1.160 2.453 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.607 -1.213 0.539 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.405 0.309 1.001 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.654 0.113 1.248 1.00 0.77 H new ATOM 1704 N THR A 110 -4.772 1.611 3.373 1.00 0.22 N ATOM 1705 CA THR A 110 -6.156 1.988 3.518 1.00 0.25 C ATOM 1706 C THR A 110 -6.981 1.404 2.390 1.00 0.26 C ATOM 1707 O THR A 110 -6.824 1.774 1.227 1.00 0.30 O ATOM 1708 CB THR A 110 -6.338 3.498 3.531 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.170 4.134 4.049 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.521 3.864 4.387 1.00 0.33 C ATOM 0 H THR A 110 -4.224 2.198 2.744 1.00 0.22 H new ATOM 0 HA THR A 110 -6.494 1.592 4.476 1.00 0.25 H new ATOM 0 HB THR A 110 -6.507 3.835 2.508 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.500 4.217 3.338 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.645 4.947 4.392 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.420 3.397 3.984 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.355 3.513 5.406 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.887 0.527 2.778 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.639 -0.305 1.867 1.00 0.37 C ATOM 1720 C ARG A 111 -9.921 0.406 1.465 1.00 0.42 C ATOM 1721 O ARG A 111 -10.862 0.495 2.257 1.00 0.49 O ATOM 1722 CB ARG A 111 -8.944 -1.612 2.597 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.271 -2.785 1.708 1.00 0.47 C ATOM 1724 CD ARG A 111 -9.178 -4.074 2.503 1.00 0.58 C ATOM 1725 NE ARG A 111 -10.435 -4.824 2.538 1.00 1.06 N ATOM 1726 CZ ARG A 111 -10.574 -6.008 3.143 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -9.518 -6.612 3.683 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -11.771 -6.588 3.198 1.00 2.01 N ATOM 0 H ARG A 111 -8.124 0.372 3.758 1.00 0.30 H new ATOM 0 HA ARG A 111 -8.075 -0.508 0.956 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -8.084 -1.873 3.214 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -9.783 -1.444 3.273 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -10.274 -2.673 1.296 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -8.582 -2.817 0.864 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.399 -4.703 2.072 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -8.872 -3.842 3.523 1.00 0.58 H new ATOM 0 HE ARG A 111 -11.250 -4.421 2.075 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -8.599 -6.172 3.636 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -9.628 -7.515 4.144 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -12.580 -6.129 2.779 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -11.879 -7.491 3.659 1.00 2.01 H new ATOM 1742 N GLN A 112 -9.949 0.937 0.250 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.054 1.793 -0.162 1.00 0.71 C ATOM 1744 C GLN A 112 -12.175 1.009 -0.839 1.00 0.89 C ATOM 1745 O GLN A 112 -13.349 1.205 -0.529 1.00 1.36 O ATOM 1746 CB GLN A 112 -10.556 2.949 -1.049 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.200 2.583 -2.480 1.00 0.71 C ATOM 1748 CD GLN A 112 -8.804 3.015 -2.897 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -7.839 2.903 -1.997 1.00 1.97 O flip ATOM 1750 NE2 GLN A 112 -8.590 3.414 -4.042 1.00 0.66 N flip ATOM 0 H GLN A 112 -9.230 0.793 -0.459 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.481 2.224 0.744 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -11.326 3.720 -1.073 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -9.677 3.390 -0.578 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.287 1.503 -2.601 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -10.927 3.038 -3.153 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -9.359 3.487 -4.709 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.644 3.671 -4.324 1.00 0.66 H new ATOM 1759 N SER A 113 -11.814 0.118 -1.741 1.00 0.79 N ATOM 1760 CA SER A 113 -12.801 -0.661 -2.481 1.00 0.96 C ATOM 1761 C SER A 113 -12.141 -1.874 -3.128 1.00 0.89 C ATOM 1762 O SER A 113 -12.720 -2.536 -3.991 1.00 1.18 O ATOM 1763 CB SER A 113 -13.454 0.238 -3.542 1.00 1.25 C ATOM 1764 OG SER A 113 -14.534 -0.404 -4.203 1.00 1.62 O ATOM 0 H SER A 113 -10.845 -0.089 -1.983 1.00 0.79 H new ATOM 0 HA SER A 113 -13.569 -1.024 -1.799 1.00 0.96 H new ATOM 0 HB2 SER A 113 -13.813 1.152 -3.069 1.00 1.25 H new ATOM 0 HB3 SER A 113 -12.705 0.532 -4.277 1.00 1.25 H new ATOM 0 HG SER A 113 -14.282 -1.325 -4.423 1.00 1.62 H new ATOM 1770 N LEU A 114 -10.936 -2.184 -2.682 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.167 -3.264 -3.268 1.00 0.94 C ATOM 1772 C LEU A 114 -10.422 -4.547 -2.509 1.00 1.13 C ATOM 1773 O LEU A 114 -9.692 -4.899 -1.578 1.00 1.65 O ATOM 1774 CB LEU A 114 -8.675 -2.919 -3.278 1.00 0.90 C ATOM 1775 CG LEU A 114 -8.263 -1.876 -4.321 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -8.774 -2.299 -5.683 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -8.783 -0.491 -3.955 1.00 1.23 C ATOM 0 H LEU A 114 -10.470 -1.701 -1.914 1.00 0.90 H new ATOM 0 HA LEU A 114 -10.483 -3.404 -4.302 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.394 -2.554 -2.290 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.107 -3.832 -3.454 1.00 0.90 H new ATOM 0 HG LEU A 114 -7.175 -1.817 -4.346 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -8.482 -1.558 -6.427 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -8.347 -3.267 -5.947 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -9.861 -2.377 -5.656 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -8.474 0.226 -4.715 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -9.871 -0.514 -3.899 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.376 -0.193 -2.988 1.00 1.23 H new