USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 770 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 61 ASN : amide:sc= 1.83 K(o=3,f=-6.2!) USER MOD Set 1.2: A 84 THR OG1 : rot 13:sc= 1.14 USER MOD Set 2.1: A 15 MET CE :methyl 149:sc= -3.69! (180deg=-2.31) USER MOD Set 2.2: A 49 SER OG : rot -39:sc= -0.873! USER MOD Set 3.1: A 35 GLN : amide:sc= -1.56 K(o=-1.9,f=-2.6) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.385 K(o=-1.9,f=-2.5) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-2.5!) USER MOD Set 4.2: A 28 SER OG : rot 180:sc=-0.00433 USER MOD Single : A 13 CYS SG : rot -90:sc= 0.466 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0582 (180deg=-0.417) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -140:sc= 0.0997 USER MOD Single : A 25 ASN : amide:sc= -0.54 K(o=-0.54,f=-5.4!) USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 44 SER OG : rot -109:sc= 1.81 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc=-0.00821 USER MOD Single : A 65 MET CE :methyl -170:sc= -3.46 (180deg=-3.84!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0692 K(o=-0.069,f=-0.71) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= 2.22 (180deg=1.76) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 151:sc= 0.634 USER MOD Single : A 105 SER OG : rot 180:sc= -0.178 USER MOD Single : A 106 GLN : amide:sc= -3.08! C(o=-3.1!,f=-4.7!) USER MOD Single : A 108 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-1.5) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.353 -8.236 -0.546 1.00 0.80 N ATOM 107 CA LEU A 8 -8.004 -6.990 -1.221 1.00 0.56 C ATOM 108 C LEU A 8 -7.639 -5.918 -0.203 1.00 0.48 C ATOM 109 O LEU A 8 -8.267 -4.863 -0.133 1.00 0.47 O ATOM 110 CB LEU A 8 -9.162 -6.505 -2.091 1.00 0.47 C ATOM 111 CG LEU A 8 -9.601 -7.467 -3.187 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.725 -6.851 -4.001 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.423 -7.829 -4.075 1.00 0.72 C ATOM 0 HA LEU A 8 -7.142 -7.181 -1.860 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.017 -6.299 -1.447 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -8.876 -5.560 -2.553 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.972 -8.383 -2.727 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.032 -7.546 -4.782 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.573 -6.640 -3.349 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.378 -5.924 -4.457 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.752 -8.517 -4.854 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.023 -6.925 -4.535 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.647 -8.305 -3.475 1.00 0.72 H new ATOM 125 N ARG A 9 -6.613 -6.196 0.573 1.00 0.52 N ATOM 126 CA ARG A 9 -6.194 -5.311 1.637 1.00 0.51 C ATOM 127 C ARG A 9 -4.715 -5.000 1.478 1.00 0.43 C ATOM 128 O ARG A 9 -4.000 -5.724 0.783 1.00 0.47 O ATOM 129 CB ARG A 9 -6.480 -5.950 3.005 1.00 0.69 C ATOM 130 CG ARG A 9 -5.779 -7.280 3.228 1.00 1.15 C ATOM 131 CD ARG A 9 -6.205 -7.920 4.537 1.00 1.21 C ATOM 132 NE ARG A 9 -5.554 -9.212 4.748 1.00 1.84 N ATOM 133 CZ ARG A 9 -6.180 -10.303 5.188 1.00 2.23 C ATOM 134 NH1 ARG A 9 -7.470 -10.251 5.506 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.503 -11.436 5.333 1.00 3.09 N ATOM 0 H ARG A 9 -6.047 -7.040 0.484 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.757 -4.379 1.581 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.177 -5.256 3.789 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.555 -6.097 3.108 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.004 -7.954 2.402 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.700 -7.128 3.230 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.963 -7.252 5.364 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.287 -8.053 4.541 1.00 1.21 H new ATOM 0 HE ARG A 9 -4.557 -9.283 4.545 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.983 -9.374 5.413 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -7.946 -11.088 5.842 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -4.509 -11.468 5.108 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -5.977 -12.274 5.669 1.00 3.09 H new ATOM 149 N PRO A 10 -4.239 -3.912 2.095 1.00 0.36 N ATOM 150 CA PRO A 10 -2.839 -3.497 1.987 1.00 0.30 C ATOM 151 C PRO A 10 -1.892 -4.505 2.636 1.00 0.28 C ATOM 152 O PRO A 10 -2.324 -5.518 3.189 1.00 0.38 O ATOM 153 CB PRO A 10 -2.820 -2.164 2.744 1.00 0.29 C ATOM 154 CG PRO A 10 -3.945 -2.268 3.704 1.00 0.47 C ATOM 155 CD PRO A 10 -5.013 -3.005 2.959 1.00 0.40 C ATOM 0 HA PRO A 10 -2.502 -3.420 0.953 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.871 -2.013 3.259 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.953 -1.321 2.066 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.648 -2.805 4.605 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.289 -1.283 4.019 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.672 -3.552 3.633 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.641 -2.330 2.378 1.00 0.40 H new ATOM 163 N ARG A 11 -0.603 -4.233 2.565 1.00 0.29 N ATOM 164 CA ARG A 11 0.377 -5.075 3.228 1.00 0.34 C ATOM 165 C ARG A 11 1.428 -4.216 3.909 1.00 0.27 C ATOM 166 O ARG A 11 1.934 -3.257 3.323 1.00 0.27 O ATOM 167 CB ARG A 11 1.043 -6.057 2.248 1.00 0.49 C ATOM 168 CG ARG A 11 1.796 -5.399 1.098 1.00 0.63 C ATOM 169 CD ARG A 11 0.935 -5.258 -0.151 1.00 1.00 C ATOM 170 NE ARG A 11 0.551 -6.560 -0.700 1.00 1.22 N ATOM 171 CZ ARG A 11 0.558 -6.856 -2.003 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.947 -5.956 -2.898 1.00 1.95 N ATOM 173 NH2 ARG A 11 0.190 -8.069 -2.407 1.00 2.37 N ATOM 0 H ARG A 11 -0.210 -3.440 2.058 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.147 -5.666 3.979 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.736 -6.689 2.803 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.276 -6.712 1.834 1.00 0.49 H new ATOM 0 HG2 ARG A 11 2.143 -4.414 1.410 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.681 -5.989 0.862 1.00 0.63 H new ATOM 0 HD2 ARG A 11 0.038 -4.687 0.089 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.481 -4.692 -0.906 1.00 1.00 H new ATOM 0 HE ARG A 11 0.260 -7.287 -0.046 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.244 -5.029 -2.593 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.949 -6.191 -3.890 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.096 -8.769 -1.723 1.00 2.37 H new ATOM 0 HH22 ARG A 11 0.194 -8.299 -3.401 1.00 2.37 H new ATOM 187 N LEU A 12 1.721 -4.537 5.161 1.00 0.29 N ATOM 188 CA LEU A 12 2.786 -3.862 5.882 1.00 0.26 C ATOM 189 C LEU A 12 4.081 -4.633 5.727 1.00 0.25 C ATOM 190 O LEU A 12 4.240 -5.720 6.281 1.00 0.32 O ATOM 191 CB LEU A 12 2.455 -3.730 7.369 1.00 0.34 C ATOM 192 CG LEU A 12 2.099 -2.322 7.851 1.00 0.60 C ATOM 193 CD1 LEU A 12 1.942 -2.306 9.363 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.155 -1.317 7.418 1.00 1.28 C ATOM 0 H LEU A 12 1.237 -5.258 5.696 1.00 0.29 H new ATOM 0 HA LEU A 12 2.893 -2.862 5.461 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.620 -4.393 7.596 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.310 -4.085 7.945 1.00 0.34 H new ATOM 0 HG LEU A 12 1.151 -2.036 7.396 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.689 -1.298 9.692 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.147 -2.993 9.654 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.877 -2.616 9.829 1.00 1.32 H new ATOM 0 HD21 LEU A 12 2.879 -0.324 7.773 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.120 -1.598 7.840 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.224 -1.308 6.330 1.00 1.28 H new ATOM 206 N CYS A 13 5.005 -4.065 4.986 1.00 0.23 N ATOM 207 CA CYS A 13 6.298 -4.678 4.792 1.00 0.25 C ATOM 208 C CYS A 13 7.250 -4.173 5.864 1.00 0.22 C ATOM 209 O CYS A 13 7.532 -2.978 5.936 1.00 0.24 O ATOM 210 CB CYS A 13 6.828 -4.332 3.400 1.00 0.29 C ATOM 211 SG CYS A 13 5.614 -4.564 2.079 1.00 0.40 S ATOM 0 H CYS A 13 4.883 -3.174 4.505 1.00 0.23 H new ATOM 0 HA CYS A 13 6.213 -5.762 4.870 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.162 -3.294 3.396 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.702 -4.949 3.190 1.00 0.29 H new ATOM 0 HG CYS A 13 5.702 -5.776 1.617 1.00 0.40 H new ATOM 217 N THR A 14 7.727 -5.070 6.710 1.00 0.23 N ATOM 218 CA THR A 14 8.676 -4.684 7.738 1.00 0.24 C ATOM 219 C THR A 14 10.062 -5.117 7.301 1.00 0.22 C ATOM 220 O THR A 14 10.335 -6.310 7.166 1.00 0.25 O ATOM 221 CB THR A 14 8.332 -5.327 9.095 1.00 0.31 C ATOM 222 OG1 THR A 14 6.949 -5.092 9.405 1.00 0.35 O ATOM 223 CG2 THR A 14 9.210 -4.756 10.204 1.00 0.35 C ATOM 0 H THR A 14 7.476 -6.059 6.706 1.00 0.23 H new ATOM 0 HA THR A 14 8.635 -3.602 7.867 1.00 0.24 H new ATOM 0 HB THR A 14 8.516 -6.399 9.025 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.733 -5.504 10.268 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.949 -5.225 11.153 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.258 -4.954 9.977 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.052 -3.680 10.276 1.00 0.35 H new ATOM 231 N MET A 15 10.936 -4.152 7.103 1.00 0.20 N ATOM 232 CA MET A 15 12.242 -4.421 6.530 1.00 0.19 C ATOM 233 C MET A 15 13.300 -3.592 7.228 1.00 0.21 C ATOM 234 O MET A 15 13.104 -2.404 7.472 1.00 0.21 O ATOM 235 CB MET A 15 12.231 -4.105 5.029 1.00 0.21 C ATOM 236 CG MET A 15 11.848 -2.666 4.719 1.00 0.24 C ATOM 237 SD MET A 15 11.939 -2.261 2.965 1.00 0.88 S ATOM 238 CE MET A 15 10.450 -3.049 2.356 1.00 0.28 C ATOM 0 H MET A 15 10.767 -3.172 7.330 1.00 0.20 H new ATOM 0 HA MET A 15 12.476 -5.476 6.668 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.219 -4.308 4.615 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.532 -4.775 4.529 1.00 0.21 H new ATOM 0 HG2 MET A 15 10.834 -2.484 5.074 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.505 -1.996 5.273 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.063 -2.487 1.506 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.679 -4.068 2.044 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.701 -3.072 3.147 1.00 0.28 H new ATOM 248 N LYS A 16 14.403 -4.218 7.575 1.00 0.29 N ATOM 249 CA LYS A 16 15.504 -3.504 8.172 1.00 0.37 C ATOM 250 C LYS A 16 16.682 -3.446 7.218 1.00 0.40 C ATOM 251 O LYS A 16 16.816 -4.275 6.316 1.00 0.48 O ATOM 252 CB LYS A 16 15.913 -4.138 9.493 1.00 0.50 C ATOM 253 CG LYS A 16 16.328 -5.578 9.365 1.00 0.90 C ATOM 254 CD LYS A 16 16.928 -6.102 10.657 1.00 1.09 C ATOM 255 CE LYS A 16 17.653 -7.417 10.441 1.00 1.96 C ATOM 256 NZ LYS A 16 18.850 -7.258 9.568 1.00 2.58 N ATOM 0 H LYS A 16 14.559 -5.219 7.453 1.00 0.29 H new ATOM 0 HA LYS A 16 15.175 -2.485 8.376 1.00 0.37 H new ATOM 0 HB2 LYS A 16 16.737 -3.567 9.921 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.080 -4.069 10.193 1.00 0.50 H new ATOM 0 HG2 LYS A 16 15.464 -6.184 9.092 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.055 -5.678 8.559 1.00 0.90 H new ATOM 0 HD2 LYS A 16 17.622 -5.365 11.062 1.00 1.09 H new ATOM 0 HD3 LYS A 16 16.139 -6.238 11.397 1.00 1.09 H new ATOM 0 HE2 LYS A 16 17.959 -7.825 11.404 1.00 1.96 H new ATOM 0 HE3 LYS A 16 16.970 -8.138 9.992 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 19.502 -8.053 9.724 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 18.553 -7.244 8.571 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.332 -6.366 9.798 1.00 2.58 H new ATOM 270 N LYS A 17 17.518 -2.449 7.430 1.00 0.41 N ATOM 271 CA LYS A 17 18.600 -2.115 6.527 1.00 0.50 C ATOM 272 C LYS A 17 19.569 -3.272 6.340 1.00 0.60 C ATOM 273 O LYS A 17 20.280 -3.662 7.264 1.00 0.67 O ATOM 274 CB LYS A 17 19.328 -0.895 7.067 1.00 0.51 C ATOM 275 CG LYS A 17 19.507 0.202 6.037 1.00 0.52 C ATOM 276 CD LYS A 17 20.006 1.485 6.671 1.00 0.53 C ATOM 277 CE LYS A 17 19.043 1.985 7.738 1.00 0.62 C ATOM 278 NZ LYS A 17 19.562 3.189 8.434 1.00 0.92 N ATOM 0 H LYS A 17 17.463 -1.840 8.246 1.00 0.41 H new ATOM 0 HA LYS A 17 18.177 -1.899 5.546 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.775 -0.498 7.918 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.307 -1.199 7.437 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.213 -0.126 5.274 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.558 0.389 5.534 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.988 1.316 7.114 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.130 2.249 5.903 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.082 2.217 7.279 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.865 1.193 8.466 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.892 3.477 9.175 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.483 2.971 8.865 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.675 3.964 7.750 1.00 0.92 H new ATOM 292 N GLY A 18 19.572 -3.820 5.139 1.00 0.68 N ATOM 293 CA GLY A 18 20.505 -4.871 4.799 1.00 0.85 C ATOM 294 C GLY A 18 21.536 -4.388 3.805 1.00 1.05 C ATOM 295 O GLY A 18 22.416 -3.610 4.160 1.00 1.28 O ATOM 0 H GLY A 18 18.939 -3.553 4.385 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.004 -5.224 5.702 1.00 0.85 H new ATOM 0 HA3 GLY A 18 19.964 -5.720 4.382 1.00 0.85 H new ATOM 299 N PRO A 19 21.438 -4.826 2.543 1.00 1.24 N ATOM 300 CA PRO A 19 22.321 -4.368 1.466 1.00 1.57 C ATOM 301 C PRO A 19 22.183 -2.867 1.207 1.00 1.57 C ATOM 302 O PRO A 19 21.275 -2.438 0.491 1.00 2.23 O ATOM 303 CB PRO A 19 21.848 -5.161 0.239 1.00 1.91 C ATOM 304 CG PRO A 19 21.069 -6.309 0.785 1.00 1.86 C ATOM 305 CD PRO A 19 20.470 -5.827 2.074 1.00 1.40 C ATOM 0 HA PRO A 19 23.371 -4.528 1.711 1.00 1.57 H new ATOM 0 HB2 PRO A 19 21.232 -4.543 -0.414 1.00 1.91 H new ATOM 0 HB3 PRO A 19 22.694 -5.507 -0.355 1.00 1.91 H new ATOM 0 HG2 PRO A 19 20.292 -6.621 0.087 1.00 1.86 H new ATOM 0 HG3 PRO A 19 21.713 -7.173 0.953 1.00 1.86 H new ATOM 0 HD2 PRO A 19 19.483 -5.391 1.921 1.00 1.40 H new ATOM 0 HD3 PRO A 19 20.352 -6.639 2.791 1.00 1.40 H new ATOM 313 N SER A 20 23.071 -2.083 1.828 1.00 1.40 N ATOM 314 CA SER A 20 23.130 -0.628 1.649 1.00 1.65 C ATOM 315 C SER A 20 21.961 0.087 2.338 1.00 1.43 C ATOM 316 O SER A 20 22.168 1.010 3.127 1.00 1.93 O ATOM 317 CB SER A 20 23.174 -0.262 0.160 1.00 2.14 C ATOM 318 OG SER A 20 23.344 1.133 -0.020 1.00 2.87 O ATOM 0 H SER A 20 23.774 -2.443 2.474 1.00 1.40 H new ATOM 0 HA SER A 20 24.050 -0.287 2.124 1.00 1.65 H new ATOM 0 HB2 SER A 20 23.991 -0.796 -0.324 1.00 2.14 H new ATOM 0 HB3 SER A 20 22.252 -0.584 -0.324 1.00 2.14 H new ATOM 0 HG SER A 20 23.370 1.338 -0.978 1.00 2.87 H new ATOM 324 N GLY A 21 20.743 -0.346 2.056 1.00 1.04 N ATOM 325 CA GLY A 21 19.578 0.323 2.587 1.00 0.94 C ATOM 326 C GLY A 21 18.297 -0.342 2.145 1.00 0.97 C ATOM 327 O GLY A 21 17.630 0.141 1.229 1.00 1.93 O ATOM 0 H GLY A 21 20.541 -1.153 1.466 1.00 1.04 H new ATOM 0 HA2 GLY A 21 19.627 0.328 3.676 1.00 0.94 H new ATOM 0 HA3 GLY A 21 19.578 1.364 2.263 1.00 0.94 H new ATOM 331 N TYR A 22 17.970 -1.459 2.801 1.00 0.74 N ATOM 332 CA TYR A 22 16.746 -2.226 2.530 1.00 0.70 C ATOM 333 C TYR A 22 16.837 -2.942 1.177 1.00 0.89 C ATOM 334 O TYR A 22 16.847 -4.171 1.121 1.00 1.82 O ATOM 335 CB TYR A 22 15.505 -1.320 2.596 1.00 0.64 C ATOM 336 CG TYR A 22 15.445 -0.465 3.849 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.277 -1.039 5.101 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.572 0.917 3.776 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.241 -0.262 6.244 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.535 1.700 4.913 1.00 0.54 C ATOM 341 CZ TYR A 22 15.369 1.109 6.144 1.00 0.46 C ATOM 342 OH TYR A 22 15.335 1.888 7.280 1.00 0.59 O ATOM 0 H TYR A 22 18.548 -1.860 3.539 1.00 0.74 H new ATOM 0 HA TYR A 22 16.645 -2.987 3.304 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.493 -0.670 1.721 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.610 -1.940 2.545 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.173 -2.111 5.184 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.702 1.387 2.812 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.113 -0.726 7.211 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.636 2.772 4.836 1.00 0.54 H new ATOM 0 HH TYR A 22 14.820 2.703 7.103 1.00 0.59 H new ATOM 352 N GLY A 23 16.921 -2.173 0.101 1.00 0.43 N ATOM 353 CA GLY A 23 17.100 -2.746 -1.218 1.00 0.42 C ATOM 354 C GLY A 23 15.856 -2.648 -2.080 1.00 0.39 C ATOM 355 O GLY A 23 15.221 -3.660 -2.382 1.00 0.39 O ATOM 0 H GLY A 23 16.868 -1.155 0.119 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.924 -2.239 -1.720 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.384 -3.793 -1.118 1.00 0.42 H new ATOM 359 N PHE A 24 15.513 -1.430 -2.483 1.00 0.37 N ATOM 360 CA PHE A 24 14.392 -1.206 -3.386 1.00 0.36 C ATOM 361 C PHE A 24 14.567 0.116 -4.124 1.00 0.38 C ATOM 362 O PHE A 24 15.191 1.050 -3.609 1.00 0.40 O ATOM 363 CB PHE A 24 13.054 -1.223 -2.630 1.00 0.34 C ATOM 364 CG PHE A 24 12.906 -0.142 -1.591 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.389 -0.327 -0.306 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.276 1.054 -1.901 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.247 0.661 0.651 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.131 2.044 -0.948 1.00 0.36 C ATOM 369 CZ PHE A 24 12.618 1.848 0.329 1.00 0.36 C ATOM 0 H PHE A 24 15.998 -0.580 -2.197 1.00 0.37 H new ATOM 0 HA PHE A 24 14.376 -2.019 -4.112 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.243 -1.128 -3.352 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.938 -2.192 -2.146 1.00 0.34 H new ATOM 0 HD1 PHE A 24 13.882 -1.253 -0.049 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.894 1.213 -2.899 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.628 0.505 1.650 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.637 2.970 -1.202 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.507 2.621 1.075 1.00 0.36 H new ATOM 379 N ASN A 25 14.025 0.194 -5.328 1.00 0.43 N ATOM 380 CA ASN A 25 14.095 1.419 -6.117 1.00 0.46 C ATOM 381 C ASN A 25 12.760 2.158 -6.053 1.00 0.42 C ATOM 382 O ASN A 25 11.702 1.574 -6.290 1.00 0.39 O ATOM 383 CB ASN A 25 14.478 1.097 -7.570 1.00 0.51 C ATOM 384 CG ASN A 25 14.736 2.332 -8.429 1.00 1.23 C ATOM 385 OD1 ASN A 25 14.099 3.374 -8.276 1.00 2.18 O ATOM 386 ND2 ASN A 25 15.685 2.219 -9.345 1.00 1.65 N ATOM 0 H ASN A 25 13.531 -0.574 -5.783 1.00 0.43 H new ATOM 0 HA ASN A 25 14.866 2.067 -5.701 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.372 0.473 -7.570 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.680 0.510 -8.025 1.00 0.51 H new ATOM 0 HD21 ASN A 25 15.907 3.010 -9.950 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.194 1.341 -9.446 1.00 1.65 H new ATOM 393 N LEU A 26 12.828 3.441 -5.732 1.00 0.50 N ATOM 394 CA LEU A 26 11.645 4.281 -5.574 1.00 0.52 C ATOM 395 C LEU A 26 11.455 5.124 -6.837 1.00 0.55 C ATOM 396 O LEU A 26 12.397 5.783 -7.278 1.00 0.73 O ATOM 397 CB LEU A 26 11.858 5.172 -4.342 1.00 0.69 C ATOM 398 CG LEU A 26 10.604 5.773 -3.712 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.010 6.843 -4.613 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.596 4.667 -3.424 1.00 1.48 C ATOM 0 H LEU A 26 13.707 3.933 -5.573 1.00 0.50 H new ATOM 0 HA LEU A 26 10.749 3.677 -5.432 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.374 4.586 -3.582 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.524 5.988 -4.622 1.00 0.69 H new ATOM 0 HG LEU A 26 10.870 6.252 -2.770 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.117 7.258 -4.145 1.00 1.52 H new ATOM 0 HD12 LEU A 26 10.741 7.636 -4.767 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.745 6.403 -5.574 1.00 1.52 H new ATOM 0 HD21 LEU A 26 8.702 5.098 -2.974 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.329 4.167 -4.355 1.00 1.48 H new ATOM 0 HD23 LEU A 26 10.035 3.944 -2.737 1.00 1.48 H new ATOM 412 N HIS A 27 10.254 5.128 -7.423 1.00 0.56 N ATOM 413 CA HIS A 27 10.114 5.689 -8.761 1.00 0.67 C ATOM 414 C HIS A 27 8.736 6.240 -9.110 1.00 0.68 C ATOM 415 O HIS A 27 7.762 6.031 -8.391 1.00 0.95 O ATOM 416 CB HIS A 27 10.523 4.645 -9.787 1.00 1.23 C ATOM 417 CG HIS A 27 9.447 3.730 -10.312 1.00 0.70 C ATOM 418 ND1 HIS A 27 9.330 3.430 -11.652 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.489 3.006 -9.688 1.00 0.81 C ATOM 420 CE1 HIS A 27 8.351 2.567 -11.829 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.822 2.287 -10.654 1.00 1.34 N ATOM 0 H HIS A 27 9.397 4.763 -7.008 1.00 0.56 H new ATOM 0 HA HIS A 27 10.773 6.557 -8.778 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.968 5.164 -10.636 1.00 1.23 H new ATOM 0 HB3 HIS A 27 11.305 4.027 -9.345 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.285 2.994 -8.627 1.00 0.81 H new ATOM 0 HE1 HIS A 27 8.035 2.158 -12.777 1.00 1.30 H new ATOM 0 HE2 HIS A 27 7.047 1.644 -10.488 1.00 1.34 H new ATOM 430 N SER A 28 8.731 6.984 -10.229 1.00 0.75 N ATOM 431 CA SER A 28 7.525 7.451 -10.923 1.00 1.14 C ATOM 432 C SER A 28 7.016 8.776 -10.377 1.00 1.03 C ATOM 433 O SER A 28 5.915 9.215 -10.717 1.00 1.34 O ATOM 434 CB SER A 28 6.414 6.396 -10.909 1.00 1.74 C ATOM 435 OG SER A 28 6.814 5.223 -11.594 1.00 2.30 O ATOM 0 H SER A 28 9.592 7.284 -10.686 1.00 0.75 H new ATOM 0 HA SER A 28 7.818 7.618 -11.959 1.00 1.14 H new ATOM 0 HB2 SER A 28 6.156 6.149 -9.879 1.00 1.74 H new ATOM 0 HB3 SER A 28 5.516 6.803 -11.373 1.00 1.74 H new ATOM 0 HG SER A 28 6.088 4.566 -11.569 1.00 2.30 H new ATOM 529 N GLN A 35 4.565 7.125 -3.977 1.00 0.74 N ATOM 530 CA GLN A 35 5.857 6.629 -4.431 1.00 0.59 C ATOM 531 C GLN A 35 5.705 5.199 -4.935 1.00 0.52 C ATOM 532 O GLN A 35 4.964 4.421 -4.328 1.00 0.58 O ATOM 533 CB GLN A 35 6.831 6.677 -3.259 1.00 0.58 C ATOM 534 CG GLN A 35 6.873 8.028 -2.559 1.00 0.82 C ATOM 535 CD GLN A 35 7.496 9.127 -3.401 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.696 9.384 -3.315 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.694 9.772 -4.231 1.00 0.78 N ATOM 0 HA GLN A 35 6.236 7.245 -5.247 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.554 5.910 -2.535 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.831 6.431 -3.617 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.858 8.320 -2.288 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.435 7.930 -1.630 1.00 0.82 H new ATOM 0 HE21 GLN A 35 5.704 9.531 -4.274 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.065 10.511 -4.828 1.00 0.78 H new ATOM 546 N PHE A 36 6.380 4.823 -6.025 1.00 0.47 N ATOM 547 CA PHE A 36 6.146 3.506 -6.582 1.00 0.43 C ATOM 548 C PHE A 36 7.418 2.683 -6.526 1.00 0.39 C ATOM 549 O PHE A 36 8.516 3.219 -6.674 1.00 0.45 O ATOM 550 CB PHE A 36 5.630 3.618 -8.020 1.00 0.48 C ATOM 551 CG PHE A 36 4.420 4.506 -8.162 1.00 0.58 C ATOM 552 CD1 PHE A 36 4.554 5.878 -8.314 1.00 0.70 C ATOM 553 CD2 PHE A 36 3.145 3.964 -8.144 1.00 0.68 C ATOM 554 CE1 PHE A 36 3.438 6.686 -8.445 1.00 0.83 C ATOM 555 CE2 PHE A 36 2.029 4.765 -8.275 1.00 0.81 C ATOM 556 CZ PHE A 36 2.200 6.164 -8.426 1.00 0.87 C ATOM 0 H PHE A 36 7.067 5.394 -6.518 1.00 0.47 H new ATOM 0 HA PHE A 36 5.384 3.002 -5.988 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.429 4.003 -8.654 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.384 2.622 -8.387 1.00 0.48 H new ATOM 0 HD1 PHE A 36 5.539 6.320 -8.330 1.00 0.70 H new ATOM 0 HD2 PHE A 36 3.023 2.898 -8.026 1.00 0.68 H new ATOM 0 HE1 PHE A 36 3.564 7.752 -8.564 1.00 0.83 H new ATOM 0 HE2 PHE A 36 1.040 4.332 -8.263 1.00 0.81 H new ATOM 0 HZ PHE A 36 1.339 6.808 -8.525 1.00 0.87 H new ATOM 566 N ILE A 37 7.271 1.392 -6.289 1.00 0.36 N ATOM 567 CA ILE A 37 8.411 0.491 -6.250 1.00 0.33 C ATOM 568 C ILE A 37 8.798 0.097 -7.670 1.00 0.33 C ATOM 569 O ILE A 37 8.020 -0.530 -8.380 1.00 0.38 O ATOM 570 CB ILE A 37 8.097 -0.778 -5.423 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.601 -0.399 -4.021 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.322 -1.681 -5.327 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.594 0.418 -3.217 1.00 0.38 C ATOM 0 H ILE A 37 6.371 0.942 -6.120 1.00 0.36 H new ATOM 0 HA ILE A 37 9.240 1.010 -5.770 1.00 0.33 H new ATOM 0 HB ILE A 37 7.307 -1.328 -5.934 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.673 0.165 -4.115 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.366 -1.310 -3.471 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.076 -2.566 -4.741 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.631 -1.983 -6.328 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.136 -1.140 -4.844 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.170 0.646 -2.239 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.515 -0.151 -3.090 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.812 1.347 -3.744 1.00 0.38 H new ATOM 585 N ARG A 38 9.991 0.498 -8.089 1.00 0.34 N ATOM 586 CA ARG A 38 10.471 0.200 -9.433 1.00 0.41 C ATOM 587 C ARG A 38 10.929 -1.244 -9.491 1.00 0.40 C ATOM 588 O ARG A 38 10.548 -1.998 -10.385 1.00 0.49 O ATOM 589 CB ARG A 38 11.629 1.138 -9.806 1.00 0.50 C ATOM 590 CG ARG A 38 11.850 1.312 -11.307 1.00 0.67 C ATOM 591 CD ARG A 38 12.420 0.069 -11.969 1.00 1.24 C ATOM 592 NE ARG A 38 13.794 -0.204 -11.553 1.00 1.56 N ATOM 593 CZ ARG A 38 14.652 -0.936 -12.265 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.249 -1.527 -13.384 1.00 2.83 N ATOM 595 NH2 ARG A 38 15.897 -1.102 -11.841 1.00 2.62 N ATOM 0 H ARG A 38 10.646 1.031 -7.517 1.00 0.34 H new ATOM 0 HA ARG A 38 9.662 0.353 -10.147 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.443 2.117 -9.364 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.547 0.756 -9.359 1.00 0.50 H new ATOM 0 HG2 ARG A 38 10.903 1.568 -11.781 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.527 2.150 -11.475 1.00 0.67 H new ATOM 0 HD2 ARG A 38 11.793 -0.789 -11.726 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.389 0.191 -13.052 1.00 1.24 H new ATOM 0 HE ARG A 38 14.115 0.188 -10.668 1.00 1.56 H new ATOM 0 HH11 ARG A 38 13.284 -1.421 -13.698 1.00 2.83 H new ATOM 0 HH12 ARG A 38 14.904 -2.087 -13.929 1.00 2.83 H new ATOM 0 HH21 ARG A 38 16.201 -0.670 -10.969 1.00 2.62 H new ATOM 0 HH22 ARG A 38 16.551 -1.662 -12.387 1.00 2.62 H new ATOM 609 N SER A 39 11.743 -1.611 -8.521 1.00 0.36 N ATOM 610 CA SER A 39 12.284 -2.948 -8.436 1.00 0.40 C ATOM 611 C SER A 39 12.749 -3.226 -7.018 1.00 0.32 C ATOM 612 O SER A 39 13.120 -2.302 -6.287 1.00 0.37 O ATOM 613 CB SER A 39 13.450 -3.100 -9.414 1.00 0.54 C ATOM 614 OG SER A 39 14.440 -2.110 -9.184 1.00 1.26 O ATOM 0 H SER A 39 12.046 -0.989 -7.771 1.00 0.36 H new ATOM 0 HA SER A 39 11.508 -3.667 -8.700 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.891 -4.091 -9.308 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.083 -3.022 -10.437 1.00 0.54 H new ATOM 0 HG SER A 39 15.290 -2.401 -9.575 1.00 1.26 H new ATOM 620 N VAL A 40 12.694 -4.483 -6.624 1.00 0.36 N ATOM 621 CA VAL A 40 13.228 -4.900 -5.347 1.00 0.30 C ATOM 622 C VAL A 40 14.246 -6.009 -5.572 1.00 0.31 C ATOM 623 O VAL A 40 13.939 -7.043 -6.170 1.00 0.37 O ATOM 624 CB VAL A 40 12.114 -5.347 -4.370 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.253 -6.455 -4.961 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.712 -5.784 -3.044 1.00 0.32 C ATOM 0 H VAL A 40 12.282 -5.236 -7.175 1.00 0.36 H new ATOM 0 HA VAL A 40 13.720 -4.047 -4.879 1.00 0.30 H new ATOM 0 HB VAL A 40 11.466 -4.488 -4.197 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.483 -6.740 -4.243 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.781 -6.100 -5.877 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.877 -7.320 -5.186 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.914 -6.095 -2.370 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.393 -6.619 -3.209 1.00 0.32 H new ATOM 0 HG23 VAL A 40 13.259 -4.952 -2.600 1.00 0.32 H new ATOM 636 N ASP A 41 15.465 -5.775 -5.117 1.00 0.35 N ATOM 637 CA ASP A 41 16.564 -6.694 -5.364 1.00 0.45 C ATOM 638 C ASP A 41 16.338 -8.003 -4.624 1.00 0.48 C ATOM 639 O ASP A 41 15.967 -8.005 -3.455 1.00 0.51 O ATOM 640 CB ASP A 41 17.896 -6.072 -4.934 1.00 0.54 C ATOM 641 CG ASP A 41 18.190 -4.771 -5.654 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.408 -4.803 -6.881 1.00 1.32 O ATOM 643 OD2 ASP A 41 18.204 -3.704 -4.998 1.00 2.28 O ATOM 0 H ASP A 41 15.720 -4.952 -4.571 1.00 0.35 H new ATOM 0 HA ASP A 41 16.604 -6.897 -6.434 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.879 -5.892 -3.859 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.702 -6.780 -5.126 1.00 0.54 H new ATOM 648 N PRO A 42 16.525 -9.134 -5.310 1.00 0.58 N ATOM 649 CA PRO A 42 16.364 -10.460 -4.708 1.00 0.69 C ATOM 650 C PRO A 42 17.311 -10.673 -3.531 1.00 0.69 C ATOM 651 O PRO A 42 18.441 -10.175 -3.538 1.00 1.17 O ATOM 652 CB PRO A 42 16.702 -11.425 -5.850 1.00 0.84 C ATOM 653 CG PRO A 42 16.542 -10.625 -7.097 1.00 0.93 C ATOM 654 CD PRO A 42 16.895 -9.213 -6.730 1.00 0.69 C ATOM 0 HA PRO A 42 15.362 -10.603 -4.303 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.718 -11.807 -5.755 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.036 -12.288 -5.847 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.195 -10.998 -7.886 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.520 -10.687 -7.472 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.955 -9.010 -6.882 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.343 -8.490 -7.331 1.00 0.69 H new ATOM 662 N ASP A 43 16.827 -11.411 -2.530 1.00 0.75 N ATOM 663 CA ASP A 43 17.591 -11.735 -1.319 1.00 0.87 C ATOM 664 C ASP A 43 17.702 -10.536 -0.387 1.00 0.70 C ATOM 665 O ASP A 43 18.520 -10.529 0.533 1.00 0.86 O ATOM 666 CB ASP A 43 18.993 -12.262 -1.643 1.00 1.14 C ATOM 667 CG ASP A 43 18.985 -13.629 -2.294 1.00 1.69 C ATOM 668 OD1 ASP A 43 18.642 -14.612 -1.610 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.287 -13.722 -3.503 1.00 2.40 O ATOM 0 H ASP A 43 15.886 -11.805 -2.535 1.00 0.75 H new ATOM 0 HA ASP A 43 17.035 -12.525 -0.814 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.495 -11.556 -2.304 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.577 -12.309 -0.724 1.00 1.14 H new ATOM 674 N SER A 44 16.874 -9.530 -0.610 1.00 0.57 N ATOM 675 CA SER A 44 16.885 -8.350 0.234 1.00 0.48 C ATOM 676 C SER A 44 15.835 -8.474 1.324 1.00 0.40 C ATOM 677 O SER A 44 14.852 -9.208 1.174 1.00 0.39 O ATOM 678 CB SER A 44 16.614 -7.093 -0.594 1.00 0.47 C ATOM 679 OG SER A 44 15.308 -7.121 -1.142 1.00 0.46 O ATOM 0 H SER A 44 16.189 -9.507 -1.365 1.00 0.57 H new ATOM 0 HA SER A 44 17.871 -8.268 0.690 1.00 0.48 H new ATOM 0 HB2 SER A 44 16.731 -6.208 0.032 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.348 -7.016 -1.396 1.00 0.47 H new ATOM 0 HG SER A 44 15.363 -7.258 -2.111 1.00 0.46 H new ATOM 685 N PRO A 45 16.038 -7.768 2.445 1.00 0.43 N ATOM 686 CA PRO A 45 15.043 -7.672 3.510 1.00 0.45 C ATOM 687 C PRO A 45 13.762 -7.018 3.009 1.00 0.38 C ATOM 688 O PRO A 45 12.673 -7.280 3.518 1.00 0.39 O ATOM 689 CB PRO A 45 15.719 -6.791 4.568 1.00 0.57 C ATOM 690 CG PRO A 45 16.810 -6.083 3.843 1.00 0.65 C ATOM 691 CD PRO A 45 17.264 -7.028 2.772 1.00 0.52 C ATOM 0 HA PRO A 45 14.750 -8.649 3.894 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.012 -6.085 5.003 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.115 -7.392 5.387 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.452 -5.147 3.414 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.629 -5.832 4.517 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.658 -6.497 1.906 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.053 -7.691 3.126 1.00 0.52 H new ATOM 699 N ALA A 46 13.905 -6.171 1.993 1.00 0.35 N ATOM 700 CA ALA A 46 12.765 -5.530 1.364 1.00 0.33 C ATOM 701 C ALA A 46 11.893 -6.570 0.678 1.00 0.30 C ATOM 702 O ALA A 46 10.678 -6.606 0.867 1.00 0.31 O ATOM 703 CB ALA A 46 13.232 -4.485 0.364 1.00 0.36 C ATOM 0 H ALA A 46 14.806 -5.915 1.590 1.00 0.35 H new ATOM 0 HA ALA A 46 12.174 -5.032 2.133 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.366 -4.013 -0.100 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.826 -3.729 0.878 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.840 -4.963 -0.404 1.00 0.36 H new ATOM 709 N GLU A 47 12.525 -7.429 -0.104 1.00 0.31 N ATOM 710 CA GLU A 47 11.829 -8.522 -0.764 1.00 0.33 C ATOM 711 C GLU A 47 11.225 -9.468 0.273 1.00 0.34 C ATOM 712 O GLU A 47 10.079 -9.892 0.145 1.00 0.40 O ATOM 713 CB GLU A 47 12.794 -9.275 -1.681 1.00 0.40 C ATOM 714 CG GLU A 47 12.188 -10.488 -2.359 1.00 0.53 C ATOM 715 CD GLU A 47 13.211 -11.258 -3.163 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.115 -11.865 -2.556 1.00 2.01 O ATOM 717 OE2 GLU A 47 13.107 -11.258 -4.411 1.00 1.51 O ATOM 0 H GLU A 47 13.526 -7.390 -0.298 1.00 0.31 H new ATOM 0 HA GLU A 47 11.019 -8.114 -1.368 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.160 -8.590 -2.446 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.658 -9.593 -1.098 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.751 -11.144 -1.606 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.377 -10.170 -3.014 1.00 0.53 H new ATOM 724 N ALA A 48 11.992 -9.756 1.318 1.00 0.34 N ATOM 725 CA ALA A 48 11.559 -10.680 2.364 1.00 0.38 C ATOM 726 C ALA A 48 10.376 -10.125 3.157 1.00 0.37 C ATOM 727 O ALA A 48 9.555 -10.884 3.667 1.00 0.47 O ATOM 728 CB ALA A 48 12.719 -10.989 3.297 1.00 0.44 C ATOM 0 H ALA A 48 12.921 -9.362 1.465 1.00 0.34 H new ATOM 0 HA ALA A 48 11.228 -11.599 1.881 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.388 -11.678 4.074 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.531 -11.444 2.730 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.071 -10.066 3.757 1.00 0.44 H new ATOM 734 N SER A 49 10.293 -8.803 3.259 1.00 0.31 N ATOM 735 CA SER A 49 9.215 -8.159 3.995 1.00 0.32 C ATOM 736 C SER A 49 7.902 -8.237 3.217 1.00 0.35 C ATOM 737 O SER A 49 6.828 -7.953 3.752 1.00 0.40 O ATOM 738 CB SER A 49 9.584 -6.703 4.283 1.00 0.32 C ATOM 739 OG SER A 49 9.567 -5.917 3.108 1.00 0.31 O ATOM 0 H SER A 49 10.962 -8.157 2.840 1.00 0.31 H new ATOM 0 HA SER A 49 9.075 -8.683 4.940 1.00 0.32 H new ATOM 0 HB2 SER A 49 8.885 -6.287 5.009 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.575 -6.661 4.734 1.00 0.32 H new ATOM 0 HG SER A 49 9.937 -6.435 2.363 1.00 0.31 H new ATOM 745 N GLY A 50 8.000 -8.624 1.950 1.00 0.36 N ATOM 746 CA GLY A 50 6.822 -8.777 1.120 1.00 0.43 C ATOM 747 C GLY A 50 6.590 -7.582 0.220 1.00 0.43 C ATOM 748 O GLY A 50 5.495 -7.026 0.189 1.00 0.62 O ATOM 0 H GLY A 50 8.881 -8.835 1.481 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.926 -9.674 0.509 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.949 -8.924 1.756 1.00 0.43 H new ATOM 752 N LEU A 51 7.623 -7.184 -0.508 1.00 0.41 N ATOM 753 CA LEU A 51 7.527 -6.043 -1.406 1.00 0.40 C ATOM 754 C LEU A 51 7.344 -6.504 -2.848 1.00 0.48 C ATOM 755 O LEU A 51 7.910 -7.516 -3.268 1.00 0.65 O ATOM 756 CB LEU A 51 8.782 -5.178 -1.282 1.00 0.38 C ATOM 757 CG LEU A 51 8.695 -3.801 -1.942 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.573 -2.984 -1.322 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.023 -3.070 -1.815 1.00 0.37 C ATOM 0 H LEU A 51 8.538 -7.635 -0.494 1.00 0.41 H new ATOM 0 HA LEU A 51 6.656 -5.451 -1.125 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.006 -5.042 -0.224 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.621 -5.720 -1.719 1.00 0.38 H new ATOM 0 HG LEU A 51 8.475 -3.936 -3.001 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.525 -2.007 -1.803 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.625 -3.504 -1.461 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.763 -2.854 -0.257 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.947 -2.092 -2.289 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.270 -2.944 -0.761 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.806 -3.650 -2.304 1.00 0.37 H new ATOM 771 N ARG A 52 6.533 -5.767 -3.591 1.00 0.53 N ATOM 772 CA ARG A 52 6.324 -6.025 -5.009 1.00 0.65 C ATOM 773 C ARG A 52 6.701 -4.788 -5.821 1.00 0.55 C ATOM 774 O ARG A 52 6.474 -3.661 -5.384 1.00 0.61 O ATOM 775 CB ARG A 52 4.866 -6.433 -5.264 1.00 0.86 C ATOM 776 CG ARG A 52 4.440 -6.340 -6.723 1.00 1.23 C ATOM 777 CD ARG A 52 3.084 -6.981 -6.960 1.00 2.05 C ATOM 778 NE ARG A 52 3.174 -8.438 -6.995 1.00 2.59 N ATOM 779 CZ ARG A 52 2.126 -9.253 -7.130 1.00 3.57 C ATOM 780 NH1 ARG A 52 0.891 -8.765 -7.158 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.317 -10.563 -7.233 1.00 4.38 N ATOM 0 H ARG A 52 6.002 -4.975 -3.230 1.00 0.53 H new ATOM 0 HA ARG A 52 6.963 -6.850 -5.324 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.721 -7.457 -4.919 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.213 -5.799 -4.665 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.404 -5.293 -7.024 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.186 -6.827 -7.351 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.395 -6.678 -6.171 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.670 -6.619 -7.901 1.00 2.05 H new ATOM 0 HE ARG A 52 4.099 -8.861 -6.911 1.00 2.59 H new ATOM 0 HH11 ARG A 52 0.738 -7.760 -7.076 1.00 4.13 H new ATOM 0 HH12 ARG A 52 0.096 -9.395 -7.262 1.00 4.13 H new ATOM 0 HH21 ARG A 52 3.263 -10.944 -7.209 1.00 4.38 H new ATOM 0 HH22 ARG A 52 1.518 -11.188 -7.336 1.00 4.38 H new ATOM 795 N ALA A 53 7.267 -5.002 -7.004 1.00 0.53 N ATOM 796 CA ALA A 53 7.774 -3.907 -7.826 1.00 0.54 C ATOM 797 C ALA A 53 6.666 -3.285 -8.676 1.00 0.61 C ATOM 798 O ALA A 53 6.920 -2.728 -9.747 1.00 1.44 O ATOM 799 CB ALA A 53 8.910 -4.402 -8.709 1.00 0.68 C ATOM 0 H ALA A 53 7.387 -5.927 -7.417 1.00 0.53 H new ATOM 0 HA ALA A 53 8.152 -3.131 -7.160 1.00 0.54 H new ATOM 0 HB1 ALA A 53 9.282 -3.579 -9.319 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.717 -4.784 -8.084 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.546 -5.198 -9.358 1.00 0.68 H new ATOM 805 N GLN A 54 5.436 -3.390 -8.193 1.00 0.65 N ATOM 806 CA GLN A 54 4.285 -2.803 -8.866 1.00 0.74 C ATOM 807 C GLN A 54 3.350 -2.200 -7.828 1.00 0.59 C ATOM 808 O GLN A 54 2.166 -1.966 -8.088 1.00 0.67 O ATOM 809 CB GLN A 54 3.542 -3.858 -9.694 1.00 0.99 C ATOM 810 CG GLN A 54 4.435 -4.609 -10.671 1.00 1.46 C ATOM 811 CD GLN A 54 3.670 -5.572 -11.552 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.452 -6.727 -11.185 1.00 2.99 O ATOM 813 NE2 GLN A 54 3.286 -5.117 -12.734 1.00 3.06 N ATOM 0 H GLN A 54 5.208 -3.881 -7.329 1.00 0.65 H new ATOM 0 HA GLN A 54 4.632 -2.023 -9.544 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.075 -4.574 -9.018 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.739 -3.372 -10.249 1.00 0.99 H new ATOM 0 HG2 GLN A 54 4.961 -3.890 -11.299 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.192 -5.159 -10.113 1.00 1.46 H new ATOM 0 HE21 GLN A 54 3.487 -4.153 -12.999 1.00 3.06 H new ATOM 0 HE22 GLN A 54 2.789 -5.731 -13.380 1.00 3.06 H new ATOM 822 N ASP A 55 3.898 -1.948 -6.651 1.00 0.47 N ATOM 823 CA ASP A 55 3.119 -1.446 -5.527 1.00 0.45 C ATOM 824 C ASP A 55 3.370 0.037 -5.299 1.00 0.39 C ATOM 825 O ASP A 55 4.400 0.579 -5.712 1.00 0.48 O ATOM 826 CB ASP A 55 3.456 -2.225 -4.255 1.00 0.50 C ATOM 827 CG ASP A 55 2.567 -3.438 -4.050 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.568 -4.335 -4.921 1.00 1.02 O ATOM 829 OD2 ASP A 55 1.854 -3.495 -3.027 1.00 1.01 O ATOM 0 H ASP A 55 4.888 -2.084 -6.446 1.00 0.47 H new ATOM 0 HA ASP A 55 2.065 -1.584 -5.768 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.497 -2.547 -4.298 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.362 -1.563 -3.394 1.00 0.50 H new ATOM 834 N ARG A 56 2.418 0.685 -4.640 1.00 0.38 N ATOM 835 CA ARG A 56 2.536 2.095 -4.300 1.00 0.42 C ATOM 836 C ARG A 56 2.575 2.261 -2.788 1.00 0.39 C ATOM 837 O ARG A 56 1.754 1.682 -2.074 1.00 0.39 O ATOM 838 CB ARG A 56 1.354 2.889 -4.858 1.00 0.56 C ATOM 839 CG ARG A 56 1.436 4.380 -4.565 1.00 0.78 C ATOM 840 CD ARG A 56 0.085 4.954 -4.168 1.00 0.79 C ATOM 841 NE ARG A 56 -0.919 4.781 -5.212 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.134 4.278 -5.006 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.498 3.877 -3.796 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.984 4.173 -6.015 1.00 1.57 N ATOM 0 H ARG A 56 1.549 0.251 -4.329 1.00 0.38 H new ATOM 0 HA ARG A 56 3.458 2.474 -4.740 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.303 2.740 -5.937 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.429 2.494 -4.437 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.154 4.554 -3.764 1.00 0.78 H new ATOM 0 HG3 ARG A 56 1.808 4.903 -5.446 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -0.258 4.470 -3.253 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.195 6.015 -3.945 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.674 5.064 -6.161 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.845 3.953 -3.016 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.431 3.493 -3.645 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.708 4.477 -6.948 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.916 3.788 -5.859 1.00 1.57 H new ATOM 858 N ILE A 57 3.516 3.059 -2.310 1.00 0.40 N ATOM 859 CA ILE A 57 3.652 3.314 -0.883 1.00 0.38 C ATOM 860 C ILE A 57 2.582 4.293 -0.412 1.00 0.38 C ATOM 861 O ILE A 57 2.452 5.393 -0.955 1.00 0.49 O ATOM 862 CB ILE A 57 5.048 3.878 -0.548 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.139 2.887 -0.967 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.155 4.195 0.936 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.546 3.374 -0.693 1.00 0.68 C ATOM 0 H ILE A 57 4.200 3.544 -2.891 1.00 0.40 H new ATOM 0 HA ILE A 57 3.526 2.363 -0.365 1.00 0.38 H new ATOM 0 HB ILE A 57 5.189 4.804 -1.106 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.982 1.945 -0.442 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.038 2.679 -2.032 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.147 4.592 1.153 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.401 4.935 1.205 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.994 3.286 1.515 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.262 2.618 -1.016 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.724 4.300 -1.240 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.667 3.555 0.375 1.00 0.68 H new ATOM 877 N VAL A 58 1.815 3.877 0.587 1.00 0.29 N ATOM 878 CA VAL A 58 0.763 4.713 1.152 1.00 0.32 C ATOM 879 C VAL A 58 1.176 5.238 2.526 1.00 0.30 C ATOM 880 O VAL A 58 1.022 6.420 2.821 1.00 0.37 O ATOM 881 CB VAL A 58 -0.568 3.938 1.278 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.681 4.853 1.765 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.948 3.291 -0.048 1.00 0.62 C ATOM 0 H VAL A 58 1.902 2.960 1.025 1.00 0.29 H new ATOM 0 HA VAL A 58 0.613 5.551 0.472 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.428 3.147 2.015 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.609 4.286 1.846 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.417 5.259 2.742 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -1.816 5.670 1.057 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.888 2.752 0.067 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.063 4.062 -0.810 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.165 2.596 -0.351 1.00 0.62 H new ATOM 893 N GLU A 59 1.706 4.355 3.362 1.00 0.24 N ATOM 894 CA GLU A 59 2.174 4.740 4.693 1.00 0.25 C ATOM 895 C GLU A 59 3.607 4.285 4.904 1.00 0.22 C ATOM 896 O GLU A 59 4.018 3.244 4.390 1.00 0.23 O ATOM 897 CB GLU A 59 1.295 4.142 5.799 1.00 0.29 C ATOM 898 CG GLU A 59 -0.065 4.799 5.954 1.00 0.40 C ATOM 899 CD GLU A 59 -0.825 4.269 7.157 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.310 4.380 8.289 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.945 3.741 6.979 1.00 0.43 O ATOM 0 H GLU A 59 1.824 3.365 3.145 1.00 0.24 H new ATOM 0 HA GLU A 59 2.116 5.827 4.750 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.150 3.081 5.595 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.828 4.214 6.747 1.00 0.29 H new ATOM 0 HG2 GLU A 59 0.063 5.877 6.054 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.653 4.630 5.052 1.00 0.40 H new ATOM 908 N VAL A 60 4.367 5.072 5.651 1.00 0.22 N ATOM 909 CA VAL A 60 5.721 4.696 6.035 1.00 0.21 C ATOM 910 C VAL A 60 5.911 4.907 7.526 1.00 0.22 C ATOM 911 O VAL A 60 5.768 6.022 8.017 1.00 0.27 O ATOM 912 CB VAL A 60 6.803 5.509 5.288 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.195 5.093 5.747 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.671 5.348 3.785 1.00 0.66 C ATOM 0 H VAL A 60 4.067 5.980 6.005 1.00 0.22 H new ATOM 0 HA VAL A 60 5.840 3.646 5.767 1.00 0.21 H new ATOM 0 HB VAL A 60 6.656 6.562 5.528 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.944 5.675 5.211 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.294 5.272 6.818 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.344 4.033 5.542 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.446 5.931 3.287 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.782 4.296 3.521 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.690 5.700 3.466 1.00 0.66 H new ATOM 924 N ASN A 61 6.206 3.829 8.241 1.00 0.25 N ATOM 925 CA ASN A 61 6.460 3.884 9.683 1.00 0.30 C ATOM 926 C ASN A 61 5.278 4.487 10.439 1.00 0.36 C ATOM 927 O ASN A 61 5.446 5.077 11.506 1.00 0.47 O ATOM 928 CB ASN A 61 7.735 4.682 9.986 1.00 0.39 C ATOM 929 CG ASN A 61 8.975 4.066 9.369 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.050 2.856 9.165 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.956 4.899 9.065 1.00 0.61 N ATOM 0 H ASN A 61 6.277 2.892 7.843 1.00 0.25 H new ATOM 0 HA ASN A 61 6.596 2.858 10.024 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.618 5.700 9.615 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.868 4.750 11.066 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.815 4.544 8.645 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.854 5.897 9.251 1.00 0.61 H new ATOM 938 N GLY A 62 4.086 4.342 9.877 1.00 0.37 N ATOM 939 CA GLY A 62 2.885 4.797 10.554 1.00 0.50 C ATOM 940 C GLY A 62 2.466 6.215 10.196 1.00 0.51 C ATOM 941 O GLY A 62 1.548 6.761 10.810 1.00 0.66 O ATOM 0 H GLY A 62 3.928 3.917 8.963 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.067 4.117 10.315 1.00 0.50 H new ATOM 0 HA3 GLY A 62 3.044 4.738 11.631 1.00 0.50 H new ATOM 945 N VAL A 63 3.132 6.831 9.227 1.00 0.42 N ATOM 946 CA VAL A 63 2.699 8.136 8.741 1.00 0.50 C ATOM 947 C VAL A 63 2.259 8.033 7.280 1.00 0.43 C ATOM 948 O VAL A 63 2.911 7.378 6.462 1.00 0.39 O ATOM 949 CB VAL A 63 3.786 9.232 8.924 1.00 0.61 C ATOM 950 CG1 VAL A 63 5.042 8.919 8.136 1.00 0.98 C ATOM 951 CG2 VAL A 63 3.242 10.600 8.541 1.00 1.17 C ATOM 0 H VAL A 63 3.962 6.455 8.768 1.00 0.42 H new ATOM 0 HA VAL A 63 1.847 8.445 9.347 1.00 0.50 H new ATOM 0 HB VAL A 63 4.057 9.247 9.980 1.00 0.61 H new ATOM 0 HG11 VAL A 63 5.776 9.710 8.292 1.00 0.98 H new ATOM 0 HG12 VAL A 63 5.456 7.969 8.473 1.00 0.98 H new ATOM 0 HG13 VAL A 63 4.799 8.853 7.075 1.00 0.98 H new ATOM 0 HG21 VAL A 63 4.019 11.352 8.677 1.00 1.17 H new ATOM 0 HG22 VAL A 63 2.928 10.587 7.497 1.00 1.17 H new ATOM 0 HG23 VAL A 63 2.388 10.842 9.174 1.00 1.17 H new ATOM 961 N CYS A 64 1.124 8.655 6.979 1.00 0.49 N ATOM 962 CA CYS A 64 0.505 8.558 5.664 1.00 0.49 C ATOM 963 C CYS A 64 1.168 9.507 4.670 1.00 0.47 C ATOM 964 O CYS A 64 1.443 10.666 4.989 1.00 0.51 O ATOM 965 CB CYS A 64 -0.993 8.864 5.763 1.00 0.59 C ATOM 966 SG CYS A 64 -1.905 8.635 4.217 1.00 1.68 S ATOM 0 H CYS A 64 0.609 9.239 7.638 1.00 0.49 H new ATOM 0 HA CYS A 64 0.641 7.539 5.302 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.433 8.224 6.528 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.120 9.894 6.097 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.160 8.917 4.408 1.00 1.68 H new ATOM 972 N MET A 65 1.408 9.003 3.465 1.00 0.48 N ATOM 973 CA MET A 65 2.055 9.774 2.413 1.00 0.53 C ATOM 974 C MET A 65 1.043 10.171 1.343 1.00 0.61 C ATOM 975 O MET A 65 1.240 9.914 0.154 1.00 0.81 O ATOM 976 CB MET A 65 3.188 8.958 1.781 1.00 0.61 C ATOM 977 CG MET A 65 4.205 8.452 2.786 1.00 0.63 C ATOM 978 SD MET A 65 4.979 9.788 3.713 1.00 0.61 S ATOM 979 CE MET A 65 6.024 8.858 4.819 1.00 0.74 C ATOM 0 H MET A 65 1.160 8.052 3.192 1.00 0.48 H new ATOM 0 HA MET A 65 2.471 10.679 2.855 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.760 8.108 1.250 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.697 9.573 1.039 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.717 7.768 3.480 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.974 7.882 2.265 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.436 9.524 5.577 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.438 8.077 5.303 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.838 8.403 4.254 1.00 0.74 H new ATOM 989 N GLU A 66 -0.042 10.795 1.777 1.00 0.83 N ATOM 990 CA GLU A 66 -1.094 11.220 0.865 1.00 1.01 C ATOM 991 C GLU A 66 -0.672 12.482 0.122 1.00 1.08 C ATOM 992 O GLU A 66 -0.645 12.507 -1.106 1.00 1.86 O ATOM 993 CB GLU A 66 -2.394 11.466 1.630 1.00 1.29 C ATOM 994 CG GLU A 66 -3.535 11.956 0.751 1.00 2.19 C ATOM 995 CD GLU A 66 -3.984 10.931 -0.275 1.00 3.03 C ATOM 996 OE1 GLU A 66 -4.820 10.062 0.061 1.00 3.75 O ATOM 997 OE2 GLU A 66 -3.469 10.959 -1.410 1.00 3.33 O ATOM 0 H GLU A 66 -0.217 11.019 2.757 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.264 10.427 0.137 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.697 10.542 2.122 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.210 12.200 2.415 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.382 12.223 1.383 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.223 12.864 0.235 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.340 13.522 0.873 1.00 1.21 N ATOM 1005 CA GLY A 67 0.109 14.760 0.268 1.00 1.36 C ATOM 1006 C GLY A 67 1.601 14.953 0.425 1.00 1.24 C ATOM 1007 O GLY A 67 2.154 15.971 0.009 1.00 1.47 O ATOM 0 H GLY A 67 -0.374 13.531 1.892 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.148 14.761 -0.791 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -0.416 15.599 0.724 1.00 1.36 H new ATOM 1011 N LYS A 68 2.245 13.975 1.044 1.00 0.97 N ATOM 1012 CA LYS A 68 3.686 14.005 1.246 1.00 0.87 C ATOM 1013 C LYS A 68 4.422 13.892 -0.081 1.00 0.90 C ATOM 1014 O LYS A 68 3.967 13.218 -1.008 1.00 1.06 O ATOM 1015 CB LYS A 68 4.109 12.866 2.170 1.00 0.73 C ATOM 1016 CG LYS A 68 3.537 12.974 3.573 1.00 1.24 C ATOM 1017 CD LYS A 68 4.112 14.159 4.327 1.00 2.01 C ATOM 1018 CE LYS A 68 3.477 14.310 5.700 1.00 2.81 C ATOM 1019 NZ LYS A 68 4.088 15.424 6.473 1.00 3.36 N ATOM 0 H LYS A 68 1.788 13.144 1.418 1.00 0.97 H new ATOM 0 HA LYS A 68 3.946 14.958 1.706 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.796 11.919 1.731 1.00 0.73 H new ATOM 0 HB3 LYS A 68 5.197 12.845 2.231 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.453 13.070 3.517 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.747 12.057 4.123 1.00 1.24 H new ATOM 0 HD2 LYS A 68 5.189 14.034 4.435 1.00 2.01 H new ATOM 0 HD3 LYS A 68 3.953 15.070 3.750 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.408 14.489 5.588 1.00 2.81 H new ATOM 0 HE3 LYS A 68 3.588 13.379 6.256 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 3.628 15.494 7.403 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 5.104 15.241 6.602 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 3.960 16.317 5.955 1.00 3.36 H new ATOM 1033 N GLN A 69 5.561 14.551 -0.160 1.00 0.87 N ATOM 1034 CA GLN A 69 6.341 14.579 -1.385 1.00 0.93 C ATOM 1035 C GLN A 69 7.475 13.567 -1.322 1.00 0.81 C ATOM 1036 O GLN A 69 7.628 12.861 -0.322 1.00 0.74 O ATOM 1037 CB GLN A 69 6.901 15.980 -1.630 1.00 1.07 C ATOM 1038 CG GLN A 69 5.825 17.040 -1.809 1.00 1.33 C ATOM 1039 CD GLN A 69 4.997 16.834 -3.065 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.488 16.324 -4.073 1.00 2.64 O ATOM 1041 NE2 GLN A 69 3.736 17.226 -3.012 1.00 2.89 N ATOM 0 H GLN A 69 5.970 15.077 0.612 1.00 0.87 H new ATOM 0 HA GLN A 69 5.684 14.314 -2.213 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.539 16.259 -0.792 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.532 15.960 -2.519 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.167 17.033 -0.940 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.293 18.024 -1.846 1.00 1.33 H new ATOM 0 HE21 GLN A 69 3.367 17.644 -2.158 1.00 2.89 H new ATOM 0 HE22 GLN A 69 3.131 17.110 -3.825 1.00 2.89 H new ATOM 1050 N HIS A 70 8.269 13.506 -2.384 1.00 0.84 N ATOM 1051 CA HIS A 70 9.371 12.552 -2.471 1.00 0.79 C ATOM 1052 C HIS A 70 10.309 12.701 -1.282 1.00 0.70 C ATOM 1053 O HIS A 70 10.720 11.713 -0.675 1.00 0.65 O ATOM 1054 CB HIS A 70 10.145 12.773 -3.773 1.00 0.88 C ATOM 1055 CG HIS A 70 11.230 11.767 -4.040 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.035 10.627 -4.787 1.00 1.42 N ATOM 1057 CD2 HIS A 70 12.539 11.761 -3.692 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.169 9.964 -4.885 1.00 1.31 C ATOM 1059 NE2 HIS A 70 13.102 10.630 -4.232 1.00 1.13 N ATOM 0 H HIS A 70 8.171 14.108 -3.201 1.00 0.84 H new ATOM 0 HA HIS A 70 8.957 11.544 -2.460 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.441 12.757 -4.605 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.589 13.768 -3.751 1.00 0.88 H new ATOM 0 HD2 HIS A 70 13.047 12.508 -3.099 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.311 9.032 -5.411 1.00 1.31 H new ATOM 0 HE2 HIS A 70 14.079 10.351 -4.143 1.00 1.13 H new ATOM 1068 N GLY A 71 10.620 13.945 -0.940 1.00 0.72 N ATOM 1069 CA GLY A 71 11.517 14.206 0.166 1.00 0.69 C ATOM 1070 C GLY A 71 10.955 13.720 1.486 1.00 0.62 C ATOM 1071 O GLY A 71 11.687 13.190 2.318 1.00 0.62 O ATOM 0 H GLY A 71 10.266 14.778 -1.410 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.473 13.718 -0.021 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.712 15.277 0.228 1.00 0.69 H new ATOM 1075 N ASP A 72 9.645 13.874 1.664 1.00 0.61 N ATOM 1076 CA ASP A 72 8.982 13.472 2.903 1.00 0.58 C ATOM 1077 C ASP A 72 9.049 11.963 3.089 1.00 0.49 C ATOM 1078 O ASP A 72 9.413 11.471 4.159 1.00 0.44 O ATOM 1079 CB ASP A 72 7.512 13.903 2.895 1.00 0.68 C ATOM 1080 CG ASP A 72 7.325 15.405 2.852 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.311 15.971 1.742 1.00 2.03 O ATOM 1082 OD2 ASP A 72 7.176 16.026 3.929 1.00 1.47 O ATOM 0 H ASP A 72 9.020 14.275 0.965 1.00 0.61 H new ATOM 0 HA ASP A 72 9.502 13.962 3.726 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.015 13.458 2.033 1.00 0.68 H new ATOM 0 HB3 ASP A 72 7.021 13.509 3.785 1.00 0.68 H new ATOM 1087 N VAL A 73 8.720 11.234 2.033 1.00 0.50 N ATOM 1088 CA VAL A 73 8.646 9.784 2.104 1.00 0.45 C ATOM 1089 C VAL A 73 10.035 9.173 2.250 1.00 0.44 C ATOM 1090 O VAL A 73 10.259 8.323 3.114 1.00 0.43 O ATOM 1091 CB VAL A 73 7.956 9.192 0.859 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.740 7.697 1.028 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.636 9.906 0.583 1.00 0.97 C ATOM 0 H VAL A 73 8.500 11.624 1.117 1.00 0.50 H new ATOM 0 HA VAL A 73 8.051 9.538 2.984 1.00 0.45 H new ATOM 0 HB VAL A 73 8.608 9.345 -0.001 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.252 7.297 0.139 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.702 7.204 1.167 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.111 7.517 1.900 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.166 9.473 -0.300 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.974 9.790 1.441 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.825 10.966 0.410 1.00 0.97 H new ATOM 1103 N VAL A 74 10.972 9.630 1.426 1.00 0.49 N ATOM 1104 CA VAL A 74 12.335 9.112 1.458 1.00 0.53 C ATOM 1105 C VAL A 74 12.990 9.403 2.807 1.00 0.51 C ATOM 1106 O VAL A 74 13.748 8.586 3.333 1.00 0.52 O ATOM 1107 CB VAL A 74 13.192 9.699 0.311 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.646 9.261 0.432 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.629 9.267 -1.034 1.00 0.70 C ATOM 0 H VAL A 74 10.813 10.357 0.729 1.00 0.49 H new ATOM 0 HA VAL A 74 12.279 8.032 1.318 1.00 0.53 H new ATOM 0 HB VAL A 74 13.157 10.786 0.384 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.224 9.688 -0.387 1.00 0.72 H new ATOM 0 HG12 VAL A 74 15.052 9.607 1.382 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.703 8.173 0.388 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.239 9.685 -1.835 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.639 8.179 -1.100 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.605 9.627 -1.132 1.00 0.70 H new ATOM 1119 N SER A 75 12.680 10.563 3.370 1.00 0.51 N ATOM 1120 CA SER A 75 13.196 10.936 4.675 1.00 0.52 C ATOM 1121 C SER A 75 12.643 10.000 5.744 1.00 0.47 C ATOM 1122 O SER A 75 13.392 9.477 6.565 1.00 0.51 O ATOM 1123 CB SER A 75 12.817 12.380 5.002 1.00 0.58 C ATOM 1124 OG SER A 75 13.492 12.845 6.156 1.00 0.66 O ATOM 0 H SER A 75 12.073 11.261 2.941 1.00 0.51 H new ATOM 0 HA SER A 75 14.283 10.853 4.657 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.059 13.022 4.155 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.740 12.449 5.157 1.00 0.58 H new ATOM 0 HG SER A 75 13.229 13.772 6.338 1.00 0.66 H new ATOM 1130 N ALA A 76 11.332 9.768 5.702 1.00 0.42 N ATOM 1131 CA ALA A 76 10.656 8.946 6.699 1.00 0.39 C ATOM 1132 C ALA A 76 11.215 7.526 6.731 1.00 0.37 C ATOM 1133 O ALA A 76 11.466 6.979 7.804 1.00 0.39 O ATOM 1134 CB ALA A 76 9.160 8.920 6.430 1.00 0.39 C ATOM 0 H ALA A 76 10.715 10.142 4.981 1.00 0.42 H new ATOM 0 HA ALA A 76 10.836 9.393 7.677 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.666 8.303 7.181 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.764 9.935 6.476 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.976 8.504 5.440 1.00 0.39 H new ATOM 1140 N ILE A 77 11.418 6.939 5.553 1.00 0.37 N ATOM 1141 CA ILE A 77 11.977 5.593 5.447 1.00 0.39 C ATOM 1142 C ILE A 77 13.358 5.530 6.104 1.00 0.41 C ATOM 1143 O ILE A 77 13.674 4.594 6.842 1.00 0.44 O ATOM 1144 CB ILE A 77 12.094 5.160 3.969 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.727 5.233 3.285 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.664 3.750 3.866 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.798 5.090 1.784 1.00 0.69 C ATOM 0 H ILE A 77 11.203 7.376 4.657 1.00 0.37 H new ATOM 0 HA ILE A 77 11.301 4.912 5.964 1.00 0.39 H new ATOM 0 HB ILE A 77 12.775 5.844 3.462 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.086 4.449 3.687 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.257 6.186 3.530 1.00 0.53 H new ATOM 0 HG21 ILE A 77 12.739 3.463 2.817 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.654 3.724 4.321 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.007 3.053 4.387 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.794 5.151 1.365 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.413 5.890 1.371 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.239 4.126 1.531 1.00 0.69 H new ATOM 1159 N ARG A 78 14.162 6.552 5.843 1.00 0.43 N ATOM 1160 CA ARG A 78 15.521 6.620 6.364 1.00 0.50 C ATOM 1161 C ARG A 78 15.529 6.957 7.853 1.00 0.50 C ATOM 1162 O ARG A 78 16.415 6.528 8.591 1.00 0.56 O ATOM 1163 CB ARG A 78 16.328 7.657 5.581 1.00 0.58 C ATOM 1164 CG ARG A 78 16.520 7.290 4.119 1.00 0.66 C ATOM 1165 CD ARG A 78 17.384 8.306 3.392 1.00 0.89 C ATOM 1166 NE ARG A 78 16.809 9.651 3.424 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.496 10.757 3.131 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.765 10.674 2.755 1.00 2.12 N ATOM 1169 NH2 ARG A 78 16.918 11.949 3.195 1.00 3.09 N ATOM 0 H ARG A 78 13.894 7.351 5.269 1.00 0.43 H new ATOM 0 HA ARG A 78 15.981 5.639 6.242 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.824 8.622 5.643 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.305 7.777 6.050 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.981 6.305 4.049 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.548 7.223 3.630 1.00 0.66 H new ATOM 0 HD2 ARG A 78 18.375 8.327 3.845 1.00 0.89 H new ATOM 0 HD3 ARG A 78 17.514 7.994 2.356 1.00 0.89 H new ATOM 0 HE ARG A 78 15.828 9.749 3.685 1.00 1.59 H new ATOM 0 HH11 ARG A 78 19.219 9.763 2.689 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.287 11.521 2.532 1.00 2.12 H new ATOM 0 HH21 ARG A 78 15.939 12.027 3.470 1.00 3.09 H new ATOM 0 HH22 ARG A 78 17.453 12.788 2.969 1.00 3.09 H new ATOM 1183 N ALA A 79 14.522 7.706 8.288 1.00 0.47 N ATOM 1184 CA ALA A 79 14.434 8.163 9.669 1.00 0.51 C ATOM 1185 C ALA A 79 13.738 7.138 10.560 1.00 0.43 C ATOM 1186 O ALA A 79 13.403 7.426 11.712 1.00 0.46 O ATOM 1187 CB ALA A 79 13.710 9.499 9.737 1.00 0.65 C ATOM 0 H ALA A 79 13.749 8.012 7.697 1.00 0.47 H new ATOM 0 HA ALA A 79 15.451 8.288 10.041 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.651 9.829 10.774 1.00 0.65 H new ATOM 0 HB2 ALA A 79 14.256 10.239 9.151 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.703 9.388 9.334 1.00 0.65 H new ATOM 1193 N GLY A 80 13.512 5.945 10.026 1.00 0.41 N ATOM 1194 CA GLY A 80 12.935 4.875 10.820 1.00 0.42 C ATOM 1195 C GLY A 80 13.974 4.199 11.694 1.00 0.46 C ATOM 1196 O GLY A 80 13.666 3.287 12.459 1.00 0.60 O ATOM 0 H GLY A 80 13.717 5.698 9.058 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.138 5.276 11.447 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.480 4.137 10.159 1.00 0.42 H new ATOM 1200 N GLY A 81 15.207 4.664 11.587 1.00 0.49 N ATOM 1201 CA GLY A 81 16.288 4.069 12.335 1.00 0.63 C ATOM 1202 C GLY A 81 17.067 3.098 11.485 1.00 0.64 C ATOM 1203 O GLY A 81 17.890 3.503 10.660 1.00 1.10 O ATOM 0 H GLY A 81 15.478 5.447 10.992 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.953 4.850 12.702 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.889 3.553 13.209 1.00 0.63 H new ATOM 1207 N ASP A 82 16.808 1.817 11.672 1.00 0.43 N ATOM 1208 CA ASP A 82 17.435 0.799 10.847 1.00 0.44 C ATOM 1209 C ASP A 82 16.388 -0.149 10.274 1.00 0.39 C ATOM 1210 O ASP A 82 16.658 -0.870 9.326 1.00 0.55 O ATOM 1211 CB ASP A 82 18.479 0.019 11.643 1.00 0.55 C ATOM 1212 CG ASP A 82 19.508 -0.649 10.756 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.362 0.060 10.185 1.00 1.97 O ATOM 1214 OD2 ASP A 82 19.453 -1.888 10.612 1.00 2.12 O ATOM 0 H ASP A 82 16.172 1.457 12.383 1.00 0.43 H new ATOM 0 HA ASP A 82 17.939 1.300 10.020 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.984 0.695 12.333 1.00 0.55 H new ATOM 0 HB3 ASP A 82 17.979 -0.738 12.247 1.00 0.55 H new ATOM 1219 N GLU A 83 15.184 -0.130 10.839 1.00 0.38 N ATOM 1220 CA GLU A 83 14.079 -0.913 10.299 1.00 0.39 C ATOM 1221 C GLU A 83 12.963 0.040 9.899 1.00 0.38 C ATOM 1222 O GLU A 83 12.750 1.054 10.561 1.00 0.53 O ATOM 1223 CB GLU A 83 13.525 -1.923 11.314 1.00 0.47 C ATOM 1224 CG GLU A 83 14.561 -2.577 12.207 1.00 0.86 C ATOM 1225 CD GLU A 83 13.953 -3.662 13.079 1.00 1.62 C ATOM 1226 OE1 GLU A 83 13.083 -3.345 13.919 1.00 2.00 O ATOM 1227 OE2 GLU A 83 14.336 -4.840 12.926 1.00 2.11 O ATOM 0 H GLU A 83 14.950 0.417 11.667 1.00 0.38 H new ATOM 0 HA GLU A 83 14.454 -1.476 9.444 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.794 -1.417 11.944 1.00 0.47 H new ATOM 0 HB3 GLU A 83 12.992 -2.704 10.771 1.00 0.47 H new ATOM 0 HG2 GLU A 83 15.352 -3.006 11.592 1.00 0.86 H new ATOM 0 HG3 GLU A 83 15.025 -1.820 12.840 1.00 0.86 H new ATOM 1234 N THR A 84 12.262 -0.268 8.827 1.00 0.27 N ATOM 1235 CA THR A 84 11.169 0.574 8.381 1.00 0.26 C ATOM 1236 C THR A 84 9.959 -0.278 8.009 1.00 0.22 C ATOM 1237 O THR A 84 10.096 -1.431 7.587 1.00 0.21 O ATOM 1238 CB THR A 84 11.585 1.464 7.181 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.581 2.453 6.918 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.810 0.632 5.928 1.00 0.30 C ATOM 0 H THR A 84 12.428 -1.092 8.250 1.00 0.27 H new ATOM 0 HA THR A 84 10.902 1.232 9.208 1.00 0.26 H new ATOM 0 HB THR A 84 12.521 1.956 7.447 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.951 2.487 7.668 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.100 1.285 5.105 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.601 -0.095 6.111 1.00 0.30 H new ATOM 0 HG23 THR A 84 10.890 0.109 5.669 1.00 0.30 H new ATOM 1248 N LYS A 85 8.775 0.277 8.204 1.00 0.24 N ATOM 1249 CA LYS A 85 7.550 -0.388 7.806 1.00 0.23 C ATOM 1250 C LYS A 85 6.909 0.360 6.654 1.00 0.23 C ATOM 1251 O LYS A 85 6.524 1.522 6.794 1.00 0.26 O ATOM 1252 CB LYS A 85 6.566 -0.470 8.972 1.00 0.28 C ATOM 1253 CG LYS A 85 6.947 -1.478 10.042 1.00 0.37 C ATOM 1254 CD LYS A 85 5.953 -1.443 11.189 1.00 0.50 C ATOM 1255 CE LYS A 85 6.236 -2.514 12.227 1.00 0.78 C ATOM 1256 NZ LYS A 85 5.294 -2.427 13.375 1.00 1.63 N ATOM 0 H LYS A 85 8.638 1.190 8.637 1.00 0.24 H new ATOM 0 HA LYS A 85 7.800 -1.402 7.493 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.482 0.515 9.431 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.580 -0.726 8.583 1.00 0.28 H new ATOM 0 HG2 LYS A 85 6.978 -2.479 9.611 1.00 0.37 H new ATOM 0 HG3 LYS A 85 7.948 -1.260 10.415 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.983 -0.462 11.664 1.00 0.50 H new ATOM 0 HD3 LYS A 85 4.945 -1.576 10.798 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.158 -3.498 11.765 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.260 -2.411 12.587 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 5.517 -3.173 14.064 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.387 -1.497 13.830 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 4.319 -2.550 13.034 1.00 1.63 H new ATOM 1270 N LEU A 86 6.797 -0.302 5.524 1.00 0.22 N ATOM 1271 CA LEU A 86 6.185 0.295 4.357 1.00 0.22 C ATOM 1272 C LEU A 86 4.815 -0.310 4.130 1.00 0.22 C ATOM 1273 O LEU A 86 4.661 -1.529 4.131 1.00 0.27 O ATOM 1274 CB LEU A 86 7.059 0.085 3.118 1.00 0.24 C ATOM 1275 CG LEU A 86 8.470 0.672 3.201 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.229 0.410 1.910 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.418 2.163 3.489 1.00 0.28 C ATOM 0 H LEU A 86 7.123 -1.259 5.388 1.00 0.22 H new ATOM 0 HA LEU A 86 6.084 1.367 4.529 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.140 -0.985 2.929 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.552 0.523 2.258 1.00 0.24 H new ATOM 0 HG LEU A 86 8.995 0.183 4.021 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.231 0.833 1.984 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.301 -0.665 1.742 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.700 0.873 1.077 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.432 2.559 3.544 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.874 2.669 2.692 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.911 2.333 4.439 1.00 0.28 H new ATOM 1289 N LEU A 87 3.821 0.537 3.954 1.00 0.20 N ATOM 1290 CA LEU A 87 2.481 0.073 3.668 1.00 0.21 C ATOM 1291 C LEU A 87 2.176 0.299 2.204 1.00 0.21 C ATOM 1292 O LEU A 87 2.116 1.441 1.742 1.00 0.26 O ATOM 1293 CB LEU A 87 1.456 0.809 4.527 1.00 0.27 C ATOM 1294 CG LEU A 87 0.012 0.347 4.339 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.171 -1.052 4.894 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.949 1.315 5.001 1.00 0.45 C ATOM 0 H LEU A 87 3.917 1.551 4.004 1.00 0.20 H new ATOM 0 HA LEU A 87 2.422 -0.990 3.900 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.728 0.688 5.576 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.514 1.874 4.304 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.208 0.326 3.272 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.205 -1.367 4.753 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.493 -1.741 4.371 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.067 -1.056 5.958 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.972 0.968 4.856 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.732 1.370 6.068 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.834 2.303 4.556 1.00 0.45 H new ATOM 1308 N VAL A 88 1.984 -0.782 1.479 1.00 0.20 N ATOM 1309 CA VAL A 88 1.749 -0.707 0.051 1.00 0.23 C ATOM 1310 C VAL A 88 0.487 -1.470 -0.332 1.00 0.24 C ATOM 1311 O VAL A 88 -0.008 -2.302 0.438 1.00 0.27 O ATOM 1312 CB VAL A 88 2.956 -1.248 -0.748 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.140 -0.299 -0.647 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.354 -2.632 -0.260 1.00 0.33 C ATOM 0 H VAL A 88 1.986 -1.729 1.857 1.00 0.20 H new ATOM 0 HA VAL A 88 1.615 0.345 -0.202 1.00 0.23 H new ATOM 0 HB VAL A 88 2.656 -1.322 -1.793 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.978 -0.701 -1.217 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.861 0.675 -1.049 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.431 -0.190 0.398 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.206 -2.991 -0.838 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.626 -2.582 0.794 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.516 -3.317 -0.386 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.043 -1.158 -1.504 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.242 -1.807 -2.008 1.00 0.27 C ATOM 1326 C VAL A 89 -1.028 -2.298 -3.427 1.00 0.34 C ATOM 1327 O VAL A 89 -0.417 -1.607 -4.249 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.469 -0.866 -1.988 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.974 -0.666 -0.571 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.138 0.473 -2.632 1.00 0.30 C ATOM 0 H VAL A 89 0.344 -0.451 -2.130 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.441 -2.649 -1.345 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.261 -1.337 -2.570 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.837 -0.001 -0.583 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.263 -1.628 -0.149 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.185 -0.225 0.038 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.017 1.117 -2.605 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.324 0.948 -2.085 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.836 0.314 -3.667 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.528 -3.493 -3.707 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.433 -4.067 -5.039 1.00 0.51 C ATOM 1342 C ASP A 90 -2.446 -3.409 -5.965 1.00 0.48 C ATOM 1343 O ASP A 90 -3.358 -2.721 -5.500 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.668 -5.583 -4.991 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.598 -6.240 -6.358 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -0.478 -6.504 -6.834 1.00 1.86 O ATOM 1347 OD2 ASP A 90 -2.667 -6.471 -6.966 1.00 1.92 O ATOM 0 H ASP A 90 -2.005 -4.084 -3.026 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.430 -3.885 -5.424 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -0.925 -6.039 -4.337 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.645 -5.779 -4.550 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.292 -3.625 -7.258 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.190 -3.053 -8.247 1.00 0.61 C ATOM 1354 C ARG A 91 -4.631 -3.456 -7.948 1.00 0.55 C ATOM 1355 O ARG A 91 -5.523 -2.609 -7.878 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.783 -3.533 -9.639 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.652 -2.996 -10.761 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.258 -3.614 -12.091 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.058 -3.107 -13.200 1.00 2.25 N ATOM 1360 CZ ARG A 91 -4.501 -3.868 -14.200 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.359 -5.188 -14.145 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.121 -3.313 -15.232 1.00 4.16 N ATOM 0 H ARG A 91 -1.546 -4.198 -7.652 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.123 -1.966 -8.208 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.749 -3.241 -9.824 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.815 -4.622 -9.659 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.700 -3.212 -10.551 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.554 -1.912 -10.816 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.205 -3.411 -12.284 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.369 -4.697 -12.032 1.00 1.44 H new ATOM 0 HE ARG A 91 -4.291 -2.114 -13.211 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.911 -5.619 -13.337 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -4.698 -5.770 -14.911 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -5.259 -2.303 -15.261 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -5.460 -3.896 -15.997 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.831 -4.748 -7.703 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.161 -5.289 -7.453 1.00 0.61 C ATOM 1378 C GLU A 92 -6.737 -4.709 -6.163 1.00 0.51 C ATOM 1379 O GLU A 92 -7.944 -4.491 -6.042 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.089 -6.814 -7.349 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.422 -7.507 -7.555 1.00 1.44 C ATOM 1382 CD GLU A 92 -7.923 -7.380 -8.976 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -8.571 -6.360 -9.291 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -7.682 -8.302 -9.781 1.00 2.26 O ATOM 0 H GLU A 92 -4.084 -5.442 -7.673 1.00 0.57 H new ATOM 0 HA GLU A 92 -6.813 -5.014 -8.282 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.379 -7.186 -8.088 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -5.698 -7.084 -6.368 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.323 -8.562 -7.300 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.159 -7.082 -6.873 1.00 1.44 H new ATOM 1391 N THR A 93 -5.851 -4.459 -5.209 1.00 0.44 N ATOM 1392 CA THR A 93 -6.230 -3.917 -3.917 1.00 0.38 C ATOM 1393 C THR A 93 -6.664 -2.464 -4.038 1.00 0.33 C ATOM 1394 O THR A 93 -7.748 -2.089 -3.591 1.00 0.37 O ATOM 1395 CB THR A 93 -5.038 -3.988 -2.952 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.523 -5.324 -2.910 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.427 -3.536 -1.555 1.00 0.36 C ATOM 0 H THR A 93 -4.850 -4.627 -5.311 1.00 0.44 H new ATOM 0 HA THR A 93 -7.063 -4.510 -3.539 1.00 0.38 H new ATOM 0 HB THR A 93 -4.266 -3.312 -3.320 1.00 0.36 H new ATOM 0 HG1 THR A 93 -3.762 -5.362 -2.294 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.560 -3.599 -0.898 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.781 -2.506 -1.591 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.220 -4.179 -1.172 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.825 -1.655 -4.665 1.00 0.33 N ATOM 1406 CA ASP A 94 -6.057 -0.221 -4.711 1.00 0.39 C ATOM 1407 C ASP A 94 -7.249 0.120 -5.591 1.00 0.43 C ATOM 1408 O ASP A 94 -7.945 1.098 -5.339 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.815 0.517 -5.194 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.916 2.006 -4.949 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.684 2.444 -3.806 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -5.200 2.749 -5.906 1.00 1.18 O ATOM 0 H ASP A 94 -4.981 -1.965 -5.147 1.00 0.33 H new ATOM 0 HA ASP A 94 -6.281 0.106 -3.696 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.936 0.123 -4.683 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.674 0.333 -6.259 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.496 -0.689 -6.617 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.680 -0.505 -7.452 1.00 0.49 C ATOM 1419 C GLU A 95 -9.942 -0.677 -6.617 1.00 0.45 C ATOM 1420 O GLU A 95 -10.942 0.011 -6.829 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.682 -1.488 -8.620 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.604 -1.203 -9.652 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.743 0.170 -10.278 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.556 0.320 -11.215 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -7.031 1.103 -9.849 1.00 1.94 O ATOM 0 H GLU A 95 -6.900 -1.471 -6.889 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.658 0.506 -7.858 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.547 -2.499 -8.235 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.657 -1.460 -9.107 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.625 -1.286 -9.181 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.646 -1.961 -10.434 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.879 -1.589 -5.653 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.975 -1.796 -4.721 1.00 0.41 C ATOM 1434 C PHE A 96 -11.124 -0.578 -3.815 1.00 0.36 C ATOM 1435 O PHE A 96 -12.229 -0.084 -3.598 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.729 -3.060 -3.891 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.798 -3.344 -2.872 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -13.009 -3.898 -3.254 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.587 -3.059 -1.533 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.990 -4.163 -2.319 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.565 -3.321 -0.592 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.769 -3.873 -0.985 1.00 0.72 C ATOM 0 H PHE A 96 -9.075 -2.198 -5.498 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.901 -1.927 -5.281 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.648 -3.913 -4.564 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.771 -2.965 -3.380 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.188 -4.125 -4.295 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.648 -2.627 -1.221 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.929 -4.596 -2.629 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.388 -3.095 0.449 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.536 -4.078 -0.252 1.00 0.72 H new ATOM 1452 N PHE A 97 -10.006 -0.091 -3.296 1.00 0.32 N ATOM 1453 CA PHE A 97 -10.016 1.109 -2.464 1.00 0.32 C ATOM 1454 C PHE A 97 -10.504 2.329 -3.246 1.00 0.39 C ATOM 1455 O PHE A 97 -11.199 3.184 -2.692 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.633 1.368 -1.861 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.336 0.505 -0.665 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -7.839 -0.777 -0.819 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.558 0.982 0.615 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.573 -1.567 0.284 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.294 0.198 1.720 1.00 0.41 C ATOM 1462 CZ PHE A 97 -7.801 -1.080 1.554 1.00 0.35 C ATOM 0 H PHE A 97 -9.084 -0.504 -3.434 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.718 0.937 -1.648 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.873 1.195 -2.623 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.561 2.416 -1.571 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.657 -1.164 -1.811 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -8.943 1.982 0.751 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.186 -2.567 0.151 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.473 0.584 2.713 1.00 0.41 H new ATOM 0 HZ PHE A 97 -7.594 -1.697 2.416 1.00 0.35 H new ATOM 1472 N LYS A 98 -10.139 2.415 -4.527 1.00 0.43 N ATOM 1473 CA LYS A 98 -10.601 3.511 -5.378 1.00 0.53 C ATOM 1474 C LYS A 98 -12.123 3.535 -5.471 1.00 0.56 C ATOM 1475 O LYS A 98 -12.746 4.576 -5.263 1.00 0.61 O ATOM 1476 CB LYS A 98 -10.033 3.408 -6.798 1.00 0.63 C ATOM 1477 CG LYS A 98 -8.557 3.745 -6.929 1.00 0.85 C ATOM 1478 CD LYS A 98 -8.190 3.977 -8.389 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.699 4.204 -8.582 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.914 2.966 -8.349 1.00 1.92 N ATOM 0 H LYS A 98 -9.529 1.744 -4.994 1.00 0.43 H new ATOM 0 HA LYS A 98 -10.244 4.430 -4.913 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -10.192 2.393 -7.163 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -10.601 4.073 -7.449 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -8.328 4.636 -6.344 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.955 2.933 -6.521 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -8.504 3.117 -8.981 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -8.738 4.840 -8.766 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -6.515 4.565 -9.594 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -6.359 4.983 -7.899 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.084 2.958 -8.975 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.600 2.935 -7.358 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.507 2.136 -8.550 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.715 2.384 -5.767 1.00 0.55 N ATOM 1495 CA LYS A 99 -14.161 2.299 -5.936 1.00 0.63 C ATOM 1496 C LYS A 99 -14.878 2.432 -4.596 1.00 0.63 C ATOM 1497 O LYS A 99 -16.030 2.859 -4.538 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.564 0.991 -6.625 1.00 0.66 C ATOM 1499 CG LYS A 99 -14.184 -0.263 -5.857 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.792 -1.508 -6.482 1.00 0.76 C ATOM 1501 CE LYS A 99 -16.303 -1.391 -6.609 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.898 -2.597 -7.241 1.00 2.04 N ATOM 0 H LYS A 99 -12.220 1.501 -5.894 1.00 0.55 H new ATOM 0 HA LYS A 99 -14.464 3.129 -6.574 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.643 0.994 -6.782 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -14.099 0.955 -7.610 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -13.099 -0.360 -5.833 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.519 -0.173 -4.824 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.355 -1.671 -7.467 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.544 -2.379 -5.875 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.741 -1.245 -5.622 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.551 -0.510 -7.201 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.929 -2.480 -7.310 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -16.499 -2.723 -8.193 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.683 -3.434 -6.662 1.00 2.04 H new ATOM 1516 N CYS A 100 -14.193 2.060 -3.525 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.745 2.189 -2.186 1.00 0.60 C ATOM 1518 C CYS A 100 -14.593 3.614 -1.660 1.00 0.61 C ATOM 1519 O CYS A 100 -15.132 3.961 -0.608 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.066 1.202 -1.237 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.681 -0.493 -1.364 1.00 1.39 S ATOM 0 H CYS A 100 -13.253 1.666 -3.558 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.809 1.960 -2.237 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.994 1.203 -1.436 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.201 1.549 -0.213 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.735 -1.323 -1.038 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.845 4.427 -2.416 1.00 0.59 N ATOM 1528 CA ARG A 101 -13.612 5.834 -2.087 1.00 0.65 C ATOM 1529 C ARG A 101 -12.959 5.975 -0.716 1.00 0.64 C ATOM 1530 O ARG A 101 -13.282 6.879 0.055 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.922 6.628 -2.147 1.00 0.77 C ATOM 1532 CG ARG A 101 -15.574 6.613 -3.521 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.651 7.201 -4.576 1.00 1.19 C ATOM 1534 NE ARG A 101 -15.234 7.144 -5.918 1.00 2.14 N ATOM 1535 CZ ARG A 101 -14.556 7.420 -7.032 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -13.262 7.720 -6.968 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.169 7.387 -8.210 1.00 4.09 N ATOM 0 H ARG A 101 -13.384 4.125 -3.274 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.927 6.244 -2.829 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -15.620 6.219 -1.417 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -14.726 7.660 -1.857 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -15.834 5.590 -3.792 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -16.504 7.181 -3.491 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.427 8.237 -4.323 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -13.705 6.660 -4.570 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.215 6.878 -6.005 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -12.787 7.739 -6.066 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -12.745 7.931 -7.821 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -16.160 7.150 -8.263 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -14.649 7.598 -9.062 1.00 4.09 H new ATOM 1551 N VAL A 102 -12.031 5.077 -0.426 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.377 5.050 0.872 1.00 0.57 C ATOM 1553 C VAL A 102 -9.860 4.925 0.717 1.00 0.49 C ATOM 1554 O VAL A 102 -9.369 4.293 -0.219 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.927 3.887 1.731 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.738 2.560 1.020 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.282 3.861 3.111 1.00 1.42 C ATOM 0 H VAL A 102 -11.713 4.356 -1.074 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.592 5.991 1.379 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.995 4.052 1.871 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.131 1.755 1.641 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.270 2.578 0.069 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.676 2.392 0.839 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.691 3.032 3.688 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.204 3.734 3.007 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.488 4.799 3.627 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.129 5.565 1.618 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.674 5.507 1.620 1.00 0.50 C ATOM 1569 C ILE A 103 -7.189 4.213 2.273 1.00 0.43 C ATOM 1570 O ILE A 103 -7.668 3.829 3.344 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.070 6.715 2.378 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.546 8.026 1.751 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.547 6.651 2.378 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.034 9.261 2.460 1.00 1.33 C ATOM 0 H ILE A 103 -9.525 6.136 2.365 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.343 5.537 0.582 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.412 6.674 3.412 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.226 8.057 0.709 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.636 8.044 1.751 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.147 7.510 2.916 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.221 5.733 2.867 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.182 6.664 1.351 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.413 10.152 1.959 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.375 9.254 3.495 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -5.944 9.268 2.437 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.255 3.503 1.619 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.616 2.324 2.200 1.00 0.37 C ATOM 1588 C PRO A 104 -4.813 2.704 3.437 1.00 0.37 C ATOM 1589 O PRO A 104 -4.112 3.711 3.442 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.695 1.808 1.090 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.164 2.477 -0.159 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.754 3.789 0.265 1.00 0.44 C ATOM 0 HA PRO A 104 -6.337 1.573 2.523 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.653 2.052 1.299 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.756 0.723 1.001 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.338 2.628 -0.853 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.905 1.865 -0.674 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.009 4.584 0.270 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.555 4.107 -0.403 1.00 0.44 H new ATOM 1600 N SER A 105 -4.920 1.907 4.488 1.00 0.32 N ATOM 1601 CA SER A 105 -4.313 2.258 5.763 1.00 0.34 C ATOM 1602 C SER A 105 -4.088 1.014 6.612 1.00 0.34 C ATOM 1603 O SER A 105 -4.672 -0.039 6.342 1.00 0.33 O ATOM 1604 CB SER A 105 -5.204 3.254 6.518 1.00 0.43 C ATOM 1605 OG SER A 105 -5.398 4.443 5.768 1.00 1.42 O ATOM 0 H SER A 105 -5.419 1.017 4.485 1.00 0.32 H new ATOM 0 HA SER A 105 -3.347 2.723 5.566 1.00 0.34 H new ATOM 0 HB2 SER A 105 -6.169 2.794 6.730 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.749 3.497 7.478 1.00 0.43 H new ATOM 0 HG SER A 105 -5.970 5.058 6.272 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.249 1.151 7.634 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.948 0.058 8.561 1.00 0.43 C ATOM 1613 C GLN A 106 -4.211 -0.494 9.225 1.00 0.45 C ATOM 1614 O GLN A 106 -4.270 -1.671 9.582 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.961 0.522 9.629 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.561 0.780 9.099 1.00 0.68 C ATOM 1617 CD GLN A 106 0.384 1.239 10.188 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.013 0.427 10.868 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.506 2.544 10.351 1.00 1.42 N ATOM 0 H GLN A 106 -2.758 2.020 7.845 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.500 -0.746 7.977 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.340 1.435 10.088 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.909 -0.232 10.414 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.173 -0.131 8.643 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.604 1.536 8.315 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.033 3.183 9.767 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.139 2.912 11.061 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.219 0.358 9.379 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.500 -0.042 9.966 1.00 0.51 C ATOM 1630 C GLU A 107 -7.134 -1.188 9.174 1.00 0.42 C ATOM 1631 O GLU A 107 -7.845 -2.022 9.725 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.457 1.154 9.984 1.00 0.59 C ATOM 1633 CG GLU A 107 -7.654 1.782 8.614 1.00 1.41 C ATOM 1634 CD GLU A 107 -8.699 2.876 8.608 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.355 4.033 8.923 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -9.858 2.585 8.262 1.00 2.63 O ATOM 0 H GLU A 107 -5.176 1.339 9.104 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.315 -0.385 10.984 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -8.424 0.832 10.372 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.073 1.908 10.671 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.705 2.192 8.269 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.943 1.007 7.904 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.852 -1.222 7.879 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.426 -2.211 6.983 1.00 0.37 C ATOM 1645 C HIS A 108 -6.643 -3.518 7.039 1.00 0.46 C ATOM 1646 O HIS A 108 -7.091 -4.542 6.531 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.490 -1.635 5.565 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.488 -0.521 5.464 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.172 0.746 5.021 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.799 -0.481 5.796 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.241 1.514 5.093 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.246 0.797 5.561 1.00 0.52 N ATOM 0 H HIS A 108 -6.220 -0.565 7.422 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.442 -2.445 7.302 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.505 -1.268 5.276 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.754 -2.425 4.863 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.387 -1.303 6.176 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.287 2.557 4.815 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.195 1.135 5.721 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.458 -3.459 7.635 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.649 -4.650 7.864 1.00 0.70 C ATOM 1663 C LEU A 109 -5.245 -5.477 8.991 1.00 0.79 C ATOM 1664 O LEU A 109 -5.512 -6.669 8.834 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.223 -4.261 8.249 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.446 -3.490 7.193 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.193 -2.900 7.802 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.087 -4.397 6.033 1.00 0.67 C ATOM 0 H LEU A 109 -5.034 -2.594 7.970 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.634 -5.231 6.942 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.262 -3.660 9.157 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.670 -5.169 8.491 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.073 -2.681 6.818 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.642 -2.350 7.039 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.466 -2.223 8.612 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.567 -3.701 8.194 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.531 -3.830 5.286 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.473 -5.222 6.393 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.998 -4.792 5.584 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.453 -4.826 10.127 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.961 -5.491 11.320 1.00 1.67 C ATOM 1682 C ASN A 110 -7.470 -5.327 11.412 1.00 1.44 C ATOM 1683 O ASN A 110 -8.006 -4.946 12.454 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.297 -4.922 12.582 1.00 2.17 C ATOM 1685 CG ASN A 110 -3.791 -5.113 12.598 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -3.263 -6.068 12.026 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.086 -4.207 13.258 1.00 3.35 N ATOM 0 H ASN A 110 -5.276 -3.829 10.248 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.721 -6.552 11.248 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.524 -3.858 12.657 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.728 -5.402 13.461 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.070 -4.286 13.305 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.559 -3.430 13.719 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.149 -5.606 10.312 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.584 -5.480 10.280 1.00 1.12 C ATOM 1696 C GLY A 111 -10.156 -5.867 8.934 1.00 0.87 C ATOM 1697 O GLY A 111 -9.449 -6.437 8.101 1.00 0.93 O ATOM 0 H GLY A 111 -7.727 -5.919 9.438 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.021 -6.110 11.055 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.863 -4.452 10.511 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.437 -5.574 8.698 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.113 -5.911 7.451 1.00 0.93 C ATOM 1703 C PRO A 112 -11.961 -4.830 6.386 1.00 0.89 C ATOM 1704 O PRO A 112 -11.409 -3.755 6.635 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.569 -6.015 7.897 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.700 -4.998 8.983 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.344 -4.894 9.643 1.00 1.10 C ATOM 0 HA PRO A 112 -11.710 -6.811 6.987 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.252 -5.807 7.074 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.803 -7.016 8.260 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.008 -4.035 8.577 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.460 -5.297 9.705 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.054 -3.855 9.798 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.337 -5.376 10.621 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.457 -5.127 5.195 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.476 -4.160 4.115 1.00 0.58 C ATOM 1717 C LEU A 113 -13.755 -3.342 4.181 1.00 0.69 C ATOM 1718 O LEU A 113 -14.832 -3.880 4.444 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.357 -4.855 2.758 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.006 -5.519 2.485 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.963 -6.059 1.067 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.860 -4.538 2.736 1.00 1.05 C ATOM 0 H LEU A 113 -12.853 -6.035 4.954 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.620 -3.495 4.228 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.138 -5.612 2.685 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.549 -4.123 1.974 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.884 -6.356 3.173 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.996 -6.529 0.886 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.755 -6.796 0.934 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.107 -5.241 0.361 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.909 -5.031 2.536 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.968 -3.676 2.077 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.886 -4.207 3.774 1.00 1.05 H new