USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 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= 1.29 K(o=2.5,f=-6.4!) USER MOD Set 1.2: A 84 THR OG1 : rot 32:sc= 1.23 USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.8!) USER MOD Set 2.3: A 70 HIS : no HD1:sc= 0 K(o=-1.8,f=-4.5) USER MOD Set 3.1: A 15 MET CE :methyl 171:sc= -3.66! (180deg=-2.9!) USER MOD Set 3.2: A 49 SER OG : rot -46:sc= -0.479! USER MOD Single : A 13 CYS SG : rot -89:sc= 0.0906 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= -1.01! (180deg=-4!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-3.7!) USER MOD Single : A 39 SER OG : rot -14:sc= 0.921 USER MOD Single : A 44 SER OG : rot -90:sc= 1.8 USER MOD Single : A 54 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.24) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 166:sc= -2.01 (180deg=-2.67) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.01 K(o=-1,f=-0.021) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 141:sc= 1.21 (180deg=-0.702) USER MOD Single : A 93 THR OG1 : rot 93:sc= 1.22 USER MOD Single : A 98 LYS NZ :NH3+ 158:sc= -0.0868 (180deg=-0.555) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -29:sc= 0.0729 USER MOD Single : A 105 SER OG : rot 31:sc= 1.13 USER MOD Single : A 106 GLN : amide:sc= -0.686! X(o=-0.69!,f=-1.1) USER MOD Single : A 108 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.34) USER MOD Single : A 110 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.390 -8.365 -0.657 1.00 0.80 N ATOM 107 CA LEU A 8 -8.180 -7.026 -1.196 1.00 0.56 C ATOM 108 C LEU A 8 -7.781 -6.065 -0.084 1.00 0.48 C ATOM 109 O LEU A 8 -8.410 -5.028 0.122 1.00 0.47 O ATOM 110 CB LEU A 8 -9.444 -6.526 -1.893 1.00 0.47 C ATOM 111 CG LEU A 8 -9.947 -7.407 -3.035 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.210 -6.819 -3.633 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.873 -7.565 -4.097 1.00 0.72 C ATOM 0 HA LEU A 8 -7.373 -7.072 -1.928 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.237 -6.433 -1.151 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.254 -5.526 -2.283 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.181 -8.395 -2.638 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.558 -7.456 -4.446 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.981 -6.756 -2.865 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.000 -5.821 -4.019 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.248 -8.196 -4.903 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.609 -6.586 -4.496 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.990 -8.027 -3.656 1.00 0.72 H new ATOM 125 N ARG A 9 -6.736 -6.426 0.635 1.00 0.52 N ATOM 126 CA ARG A 9 -6.260 -5.624 1.745 1.00 0.51 C ATOM 127 C ARG A 9 -4.785 -5.312 1.557 1.00 0.43 C ATOM 128 O ARG A 9 -4.045 -6.112 0.980 1.00 0.47 O ATOM 129 CB ARG A 9 -6.490 -6.350 3.076 1.00 0.69 C ATOM 130 CG ARG A 9 -5.856 -7.728 3.152 1.00 1.15 C ATOM 131 CD ARG A 9 -6.029 -8.341 4.531 1.00 1.21 C ATOM 132 NE ARG A 9 -5.610 -9.743 4.567 1.00 1.84 N ATOM 133 CZ ARG A 9 -5.416 -10.439 5.691 1.00 2.23 C ATOM 134 NH1 ARG A 9 -5.522 -9.849 6.873 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.097 -11.728 5.632 1.00 3.09 N ATOM 0 H ARG A 9 -6.197 -7.276 0.468 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.820 -4.689 1.769 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.095 -5.736 3.885 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.563 -6.446 3.244 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.307 -8.379 2.403 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.795 -7.656 2.915 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.448 -7.771 5.256 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.074 -8.268 4.831 1.00 1.21 H new ATOM 0 HE ARG A 9 -5.456 -10.219 3.678 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.753 -8.857 6.929 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -5.373 -10.387 7.727 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.000 -12.188 4.727 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -4.949 -12.257 6.492 1.00 3.09 H new ATOM 149 N PRO A 10 -4.342 -4.139 2.024 1.00 0.36 N ATOM 150 CA PRO A 10 -2.948 -3.735 1.915 1.00 0.30 C ATOM 151 C PRO A 10 -2.052 -4.627 2.752 1.00 0.28 C ATOM 152 O PRO A 10 -2.511 -5.295 3.680 1.00 0.38 O ATOM 153 CB PRO A 10 -2.938 -2.303 2.455 1.00 0.29 C ATOM 154 CG PRO A 10 -4.133 -2.221 3.334 1.00 0.47 C ATOM 155 CD PRO A 10 -5.156 -3.128 2.714 1.00 0.40 C ATOM 0 HA PRO A 10 -2.573 -3.808 0.894 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.023 -2.096 3.010 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.991 -1.575 1.646 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.894 -2.536 4.350 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.504 -1.198 3.397 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.803 -3.578 3.467 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.802 -2.590 2.020 1.00 0.40 H new ATOM 163 N ARG A 11 -0.780 -4.635 2.426 1.00 0.29 N ATOM 164 CA ARG A 11 0.187 -5.430 3.161 1.00 0.34 C ATOM 165 C ARG A 11 1.276 -4.542 3.733 1.00 0.27 C ATOM 166 O ARG A 11 1.809 -3.670 3.044 1.00 0.27 O ATOM 167 CB ARG A 11 0.786 -6.529 2.274 1.00 0.49 C ATOM 168 CG ARG A 11 1.001 -6.110 0.831 1.00 0.63 C ATOM 169 CD ARG A 11 1.593 -7.240 0.001 1.00 1.00 C ATOM 170 NE ARG A 11 1.317 -7.061 -1.424 1.00 1.22 N ATOM 171 CZ ARG A 11 2.105 -6.389 -2.261 1.00 1.59 C ATOM 172 NH1 ARG A 11 3.280 -5.929 -1.853 1.00 1.95 N ATOM 173 NH2 ARG A 11 1.731 -6.206 -3.521 1.00 2.37 N ATOM 0 H ARG A 11 -0.386 -4.098 1.653 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.330 -5.917 3.988 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.741 -6.842 2.697 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.128 -7.397 2.295 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.051 -5.798 0.397 1.00 0.63 H new ATOM 0 HG3 ARG A 11 1.666 -5.247 0.798 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.670 -7.284 0.161 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.182 -8.192 0.335 1.00 1.00 H new ATOM 0 HE ARG A 11 0.466 -7.478 -1.801 1.00 1.22 H new ATOM 0 HH11 ARG A 11 3.585 -6.089 -0.893 1.00 1.95 H new ATOM 0 HH12 ARG A 11 3.879 -5.415 -2.499 1.00 1.95 H new ATOM 0 HH21 ARG A 11 0.840 -6.580 -3.848 1.00 2.37 H new ATOM 0 HH22 ARG A 11 2.334 -5.691 -4.162 1.00 2.37 H new ATOM 187 N LEU A 12 1.575 -4.747 5.006 1.00 0.29 N ATOM 188 CA LEU A 12 2.600 -3.976 5.681 1.00 0.26 C ATOM 189 C LEU A 12 3.931 -4.702 5.592 1.00 0.25 C ATOM 190 O LEU A 12 4.109 -5.773 6.174 1.00 0.32 O ATOM 191 CB LEU A 12 2.225 -3.745 7.150 1.00 0.34 C ATOM 192 CG LEU A 12 3.174 -2.828 7.926 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.102 -1.403 7.395 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.854 -2.860 9.412 1.00 1.28 C ATOM 0 H LEU A 12 1.118 -5.445 5.593 1.00 0.29 H new ATOM 0 HA LEU A 12 2.685 -3.006 5.192 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.221 -3.321 7.190 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.184 -4.710 7.655 1.00 0.34 H new ATOM 0 HG LEU A 12 4.191 -3.194 7.785 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.784 -0.769 7.961 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.385 -1.392 6.343 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.085 -1.026 7.501 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.539 -2.202 9.946 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.830 -2.523 9.571 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.963 -3.878 9.786 1.00 1.28 H new ATOM 206 N CYS A 13 4.848 -4.127 4.848 1.00 0.23 N ATOM 207 CA CYS A 13 6.166 -4.693 4.677 1.00 0.25 C ATOM 208 C CYS A 13 7.082 -4.158 5.766 1.00 0.22 C ATOM 209 O CYS A 13 7.293 -2.952 5.867 1.00 0.24 O ATOM 210 CB CYS A 13 6.708 -4.318 3.296 1.00 0.29 C ATOM 211 SG CYS A 13 5.527 -4.585 1.949 1.00 0.40 S ATOM 0 H CYS A 13 4.701 -3.253 4.344 1.00 0.23 H new ATOM 0 HA CYS A 13 6.117 -5.779 4.751 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.004 -3.269 3.305 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.608 -4.901 3.099 1.00 0.29 H new ATOM 0 HG CYS A 13 5.650 -5.798 1.498 1.00 0.40 H new ATOM 217 N THR A 14 7.593 -5.041 6.604 1.00 0.23 N ATOM 218 CA THR A 14 8.485 -4.624 7.662 1.00 0.24 C ATOM 219 C THR A 14 9.891 -5.107 7.362 1.00 0.22 C ATOM 220 O THR A 14 10.146 -6.313 7.275 1.00 0.25 O ATOM 221 CB THR A 14 8.018 -5.165 9.024 1.00 0.31 C ATOM 222 OG1 THR A 14 6.632 -4.846 9.213 1.00 0.35 O ATOM 223 CG2 THR A 14 8.837 -4.570 10.160 1.00 0.35 C ATOM 0 H THR A 14 7.406 -6.043 6.571 1.00 0.23 H new ATOM 0 HA THR A 14 8.478 -3.535 7.712 1.00 0.24 H new ATOM 0 HB THR A 14 8.157 -6.246 9.032 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.332 -5.191 10.080 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.485 -4.970 11.111 1.00 0.35 H new ATOM 0 HG22 THR A 14 9.888 -4.827 10.025 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.726 -3.486 10.159 1.00 0.35 H new ATOM 231 N MET A 15 10.799 -4.166 7.210 1.00 0.20 N ATOM 232 CA MET A 15 12.154 -4.479 6.821 1.00 0.19 C ATOM 233 C MET A 15 13.146 -3.785 7.732 1.00 0.21 C ATOM 234 O MET A 15 13.029 -2.589 8.005 1.00 0.21 O ATOM 235 CB MET A 15 12.401 -4.048 5.376 1.00 0.21 C ATOM 236 CG MET A 15 12.009 -2.605 5.110 1.00 0.24 C ATOM 237 SD MET A 15 10.333 -2.422 4.475 1.00 0.88 S ATOM 238 CE MET A 15 10.560 -2.995 2.798 1.00 0.28 C ATOM 0 H MET A 15 10.619 -3.172 7.352 1.00 0.20 H new ATOM 0 HA MET A 15 12.291 -5.557 6.906 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.456 -4.181 5.139 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.839 -4.700 4.707 1.00 0.21 H new ATOM 0 HG2 MET A 15 12.103 -2.035 6.034 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.709 -2.172 4.396 1.00 0.24 H new ATOM 0 HE1 MET A 15 9.589 -3.097 2.314 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.166 -2.276 2.247 1.00 0.28 H new ATOM 0 HE3 MET A 15 11.064 -3.962 2.809 1.00 0.28 H new ATOM 248 N LYS A 16 14.124 -4.535 8.191 1.00 0.29 N ATOM 249 CA LYS A 16 15.183 -3.983 9.008 1.00 0.37 C ATOM 250 C LYS A 16 16.477 -3.952 8.210 1.00 0.40 C ATOM 251 O LYS A 16 16.870 -4.953 7.604 1.00 0.48 O ATOM 252 CB LYS A 16 15.335 -4.785 10.305 1.00 0.50 C ATOM 253 CG LYS A 16 16.515 -4.354 11.160 1.00 0.90 C ATOM 254 CD LYS A 16 16.491 -4.999 12.540 1.00 1.09 C ATOM 255 CE LYS A 16 15.428 -4.379 13.442 1.00 1.96 C ATOM 256 NZ LYS A 16 14.056 -4.867 13.132 1.00 2.58 N ATOM 0 H LYS A 16 14.208 -5.535 8.011 1.00 0.29 H new ATOM 0 HA LYS A 16 14.931 -2.961 9.289 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.420 -4.688 10.890 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.445 -5.841 10.057 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.444 -4.617 10.654 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.507 -3.269 11.267 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.301 -6.067 12.438 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.470 -4.892 13.007 1.00 1.09 H new ATOM 0 HE2 LYS A 16 15.663 -4.605 14.482 1.00 1.96 H new ATOM 0 HE3 LYS A 16 15.456 -3.294 13.337 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 13.473 -4.074 12.797 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 14.106 -5.597 12.393 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 13.629 -5.272 13.990 1.00 2.58 H new ATOM 270 N LYS A 17 17.102 -2.779 8.197 1.00 0.41 N ATOM 271 CA LYS A 17 18.278 -2.501 7.390 1.00 0.50 C ATOM 272 C LYS A 17 19.376 -3.535 7.575 1.00 0.60 C ATOM 273 O LYS A 17 19.758 -3.862 8.703 1.00 0.67 O ATOM 274 CB LYS A 17 18.834 -1.137 7.770 1.00 0.51 C ATOM 275 CG LYS A 17 19.324 -0.328 6.592 1.00 0.52 C ATOM 276 CD LYS A 17 20.112 0.885 7.050 1.00 0.53 C ATOM 277 CE LYS A 17 19.274 1.794 7.932 1.00 0.62 C ATOM 278 NZ LYS A 17 20.110 2.782 8.661 1.00 0.92 N ATOM 0 H LYS A 17 16.798 -1.983 8.758 1.00 0.41 H new ATOM 0 HA LYS A 17 17.964 -2.529 6.347 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.061 -0.572 8.290 1.00 0.51 H new ATOM 0 HB3 LYS A 17 19.656 -1.273 8.472 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.950 -0.952 5.954 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.474 -0.007 5.989 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.996 0.560 7.598 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.462 1.442 6.181 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.542 2.320 7.319 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.716 1.191 8.649 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.510 3.338 9.303 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.836 2.282 9.213 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.570 3.418 7.979 1.00 0.92 H new ATOM 292 N GLY A 18 19.878 -4.039 6.459 1.00 0.68 N ATOM 293 CA GLY A 18 21.050 -4.875 6.490 1.00 0.85 C ATOM 294 C GLY A 18 22.298 -4.071 6.181 1.00 1.05 C ATOM 295 O GLY A 18 22.361 -2.878 6.491 1.00 1.28 O ATOM 0 H GLY A 18 19.489 -3.881 5.529 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.145 -5.338 7.472 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.945 -5.683 5.766 1.00 0.85 H new ATOM 299 N PRO A 19 23.296 -4.683 5.538 1.00 1.24 N ATOM 300 CA PRO A 19 24.568 -4.029 5.243 1.00 1.57 C ATOM 301 C PRO A 19 24.476 -3.055 4.069 1.00 1.57 C ATOM 302 O PRO A 19 25.214 -2.068 4.015 1.00 2.23 O ATOM 303 CB PRO A 19 25.510 -5.193 4.893 1.00 1.91 C ATOM 304 CG PRO A 19 24.724 -6.450 5.110 1.00 1.86 C ATOM 305 CD PRO A 19 23.275 -6.062 5.053 1.00 1.40 C ATOM 0 HA PRO A 19 24.906 -3.426 6.086 1.00 1.57 H new ATOM 0 HB2 PRO A 19 25.850 -5.121 3.860 1.00 1.91 H new ATOM 0 HB3 PRO A 19 26.399 -5.177 5.523 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.958 -7.191 4.345 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.968 -6.899 6.073 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.877 -6.130 4.041 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.658 -6.704 5.682 1.00 1.40 H new ATOM 313 N SER A 20 23.565 -3.322 3.140 1.00 1.40 N ATOM 314 CA SER A 20 23.473 -2.540 1.914 1.00 1.65 C ATOM 315 C SER A 20 22.453 -1.404 2.023 1.00 1.43 C ATOM 316 O SER A 20 22.568 -0.385 1.339 1.00 1.93 O ATOM 317 CB SER A 20 23.120 -3.457 0.749 1.00 2.14 C ATOM 318 OG SER A 20 22.104 -4.378 1.120 1.00 2.87 O ATOM 0 H SER A 20 22.880 -4.074 3.213 1.00 1.40 H new ATOM 0 HA SER A 20 24.445 -2.079 1.741 1.00 1.65 H new ATOM 0 HB2 SER A 20 22.784 -2.861 -0.100 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.008 -4.000 0.426 1.00 2.14 H new ATOM 0 HG SER A 20 21.892 -4.956 0.357 1.00 2.87 H new ATOM 324 N GLY A 21 21.451 -1.586 2.875 1.00 1.04 N ATOM 325 CA GLY A 21 20.450 -0.556 3.075 1.00 0.94 C ATOM 326 C GLY A 21 19.111 -0.911 2.458 1.00 0.97 C ATOM 327 O GLY A 21 18.664 -0.248 1.522 1.00 1.93 O ATOM 0 H GLY A 21 21.314 -2.430 3.431 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.319 -0.386 4.144 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.807 0.380 2.644 1.00 0.94 H new ATOM 331 N TYR A 22 18.487 -1.968 2.988 1.00 0.74 N ATOM 332 CA TYR A 22 17.160 -2.434 2.553 1.00 0.70 C ATOM 333 C TYR A 22 17.244 -3.143 1.203 1.00 0.89 C ATOM 334 O TYR A 22 17.152 -4.365 1.139 1.00 1.82 O ATOM 335 CB TYR A 22 16.142 -1.289 2.477 1.00 0.64 C ATOM 336 CG TYR A 22 15.982 -0.496 3.758 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.712 -1.119 4.972 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.086 0.889 3.743 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.555 -0.380 6.134 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.934 1.634 4.895 1.00 0.54 C ATOM 341 CZ TYR A 22 15.667 0.996 6.087 1.00 0.46 C ATOM 342 OH TYR A 22 15.509 1.738 7.237 1.00 0.59 O ATOM 0 H TYR A 22 18.889 -2.531 3.737 1.00 0.74 H new ATOM 0 HA TYR A 22 16.814 -3.141 3.307 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.440 -0.608 1.680 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.172 -1.701 2.198 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.623 -2.195 5.010 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.290 1.394 2.810 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.346 -0.877 7.070 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.024 2.710 4.862 1.00 0.54 H new ATOM 0 HH TYR A 22 15.620 2.689 7.030 1.00 0.59 H new ATOM 352 N GLY A 23 17.413 -2.377 0.135 1.00 0.43 N ATOM 353 CA GLY A 23 17.534 -2.958 -1.188 1.00 0.42 C ATOM 354 C GLY A 23 16.242 -2.896 -1.984 1.00 0.39 C ATOM 355 O GLY A 23 15.611 -3.924 -2.249 1.00 0.39 O ATOM 0 H GLY A 23 17.469 -1.359 0.161 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.318 -2.437 -1.737 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.847 -3.998 -1.095 1.00 0.42 H new ATOM 359 N PHE A 24 15.853 -1.689 -2.370 1.00 0.37 N ATOM 360 CA PHE A 24 14.715 -1.488 -3.259 1.00 0.36 C ATOM 361 C PHE A 24 14.859 -0.159 -3.989 1.00 0.38 C ATOM 362 O PHE A 24 15.543 0.747 -3.514 1.00 0.40 O ATOM 363 CB PHE A 24 13.378 -1.551 -2.497 1.00 0.34 C ATOM 364 CG PHE A 24 13.218 -0.516 -1.412 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.646 -0.773 -0.119 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.625 0.707 -1.684 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.489 0.171 0.879 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.466 1.652 -0.691 1.00 0.36 C ATOM 369 CZ PHE A 24 12.900 1.385 0.592 1.00 0.36 C ATOM 0 H PHE A 24 16.313 -0.826 -2.079 1.00 0.37 H new ATOM 0 HA PHE A 24 14.707 -2.298 -3.989 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.563 -1.436 -3.212 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.276 -2.541 -2.053 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.108 -1.722 0.112 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.283 0.923 -2.685 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.827 -0.042 1.882 1.00 0.35 H new ATOM 0 HE2 PHE A 24 12.002 2.601 -0.918 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.779 2.125 1.369 1.00 0.36 H new ATOM 379 N ASN A 25 14.241 -0.055 -5.152 1.00 0.43 N ATOM 380 CA ASN A 25 14.325 1.160 -5.947 1.00 0.46 C ATOM 381 C ASN A 25 12.962 1.837 -6.037 1.00 0.42 C ATOM 382 O ASN A 25 11.970 1.209 -6.408 1.00 0.39 O ATOM 383 CB ASN A 25 14.846 0.843 -7.354 1.00 0.51 C ATOM 384 CG ASN A 25 16.259 0.284 -7.348 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.463 -0.925 -7.227 1.00 2.18 O ATOM 386 ND2 ASN A 25 17.242 1.159 -7.488 1.00 1.65 N ATOM 0 H ASN A 25 13.676 -0.795 -5.568 1.00 0.43 H new ATOM 0 HA ASN A 25 15.022 1.841 -5.458 1.00 0.46 H new ATOM 0 HB2 ASN A 25 14.178 0.125 -7.830 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.822 1.750 -7.958 1.00 0.51 H new ATOM 0 HD21 ASN A 25 18.211 0.840 -7.499 1.00 1.65 H new ATOM 0 HD22 ASN A 25 17.031 2.152 -7.585 1.00 1.65 H new ATOM 393 N LEU A 26 12.920 3.116 -5.693 1.00 0.50 N ATOM 394 CA LEU A 26 11.687 3.890 -5.755 1.00 0.52 C ATOM 395 C LEU A 26 11.679 4.761 -7.002 1.00 0.55 C ATOM 396 O LEU A 26 12.694 5.361 -7.348 1.00 0.73 O ATOM 397 CB LEU A 26 11.554 4.784 -4.519 1.00 0.69 C ATOM 398 CG LEU A 26 11.406 4.055 -3.185 1.00 0.87 C ATOM 399 CD1 LEU A 26 11.347 5.054 -2.039 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.160 3.182 -3.196 1.00 1.48 C ATOM 0 H LEU A 26 13.730 3.643 -5.366 1.00 0.50 H new ATOM 0 HA LEU A 26 10.848 3.195 -5.788 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.431 5.429 -4.464 1.00 0.69 H new ATOM 0 HB3 LEU A 26 10.689 5.433 -4.655 1.00 0.69 H new ATOM 0 HG LEU A 26 12.276 3.415 -3.039 1.00 0.87 H new ATOM 0 HD11 LEU A 26 11.241 4.519 -1.095 1.00 1.52 H new ATOM 0 HD12 LEU A 26 12.264 5.643 -2.022 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.493 5.717 -2.178 1.00 1.52 H new ATOM 0 HD21 LEU A 26 10.067 2.668 -2.239 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.281 3.805 -3.360 1.00 1.48 H new ATOM 0 HD23 LEU A 26 10.238 2.446 -3.996 1.00 1.48 H new ATOM 412 N HIS A 27 10.541 4.830 -7.680 1.00 0.56 N ATOM 413 CA HIS A 27 10.428 5.693 -8.844 1.00 0.67 C ATOM 414 C HIS A 27 9.251 6.637 -8.699 1.00 0.68 C ATOM 415 O HIS A 27 8.185 6.253 -8.218 1.00 0.95 O ATOM 416 CB HIS A 27 10.326 4.889 -10.155 1.00 1.23 C ATOM 417 CG HIS A 27 9.012 4.209 -10.423 1.00 0.70 C ATOM 418 ND1 HIS A 27 8.058 4.718 -11.279 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.532 3.017 -10.005 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.053 3.868 -11.369 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.316 2.823 -10.608 1.00 1.34 N ATOM 0 H HIS A 27 9.697 4.307 -7.448 1.00 0.56 H new ATOM 0 HA HIS A 27 11.343 6.282 -8.899 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.538 5.562 -10.986 1.00 1.23 H new ATOM 0 HB3 HIS A 27 11.109 4.130 -10.152 1.00 1.23 H new ATOM 0 HD2 HIS A 27 9.019 2.339 -9.319 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.163 4.005 -11.966 1.00 1.30 H new ATOM 0 HE2 HIS A 27 6.715 2.007 -10.488 1.00 1.34 H new ATOM 430 N SER A 28 9.469 7.873 -9.099 1.00 0.75 N ATOM 431 CA SER A 28 8.443 8.892 -9.065 1.00 1.14 C ATOM 432 C SER A 28 8.217 9.409 -10.474 1.00 1.03 C ATOM 433 O SER A 28 9.169 9.592 -11.231 1.00 1.34 O ATOM 434 CB SER A 28 8.873 10.041 -8.145 1.00 1.74 C ATOM 435 OG SER A 28 7.836 10.991 -7.972 1.00 2.30 O ATOM 0 H SER A 28 10.366 8.199 -9.458 1.00 0.75 H new ATOM 0 HA SER A 28 7.517 8.467 -8.677 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.165 9.640 -7.174 1.00 1.74 H new ATOM 0 HB3 SER A 28 9.751 10.533 -8.564 1.00 1.74 H new ATOM 0 HG SER A 28 8.144 11.708 -7.379 1.00 2.30 H new ATOM 529 N GLN A 35 5.163 7.934 -5.194 1.00 0.74 N ATOM 530 CA GLN A 35 6.239 6.960 -5.178 1.00 0.59 C ATOM 531 C GLN A 35 5.720 5.572 -5.486 1.00 0.52 C ATOM 532 O GLN A 35 4.779 5.088 -4.855 1.00 0.58 O ATOM 533 CB GLN A 35 6.967 6.956 -3.833 1.00 0.58 C ATOM 534 CG GLN A 35 8.159 7.898 -3.783 1.00 0.82 C ATOM 535 CD GLN A 35 7.776 9.367 -3.834 1.00 0.75 C ATOM 536 OE1 GLN A 35 7.606 10.008 -2.805 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.635 9.908 -5.032 1.00 0.78 N ATOM 0 HA GLN A 35 6.948 7.250 -5.953 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.263 7.232 -3.048 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.306 5.943 -3.616 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.722 7.710 -2.869 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.823 7.675 -4.618 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.785 9.343 -5.868 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.376 10.891 -5.121 1.00 0.78 H new ATOM 546 N PHE A 36 6.343 4.932 -6.461 1.00 0.47 N ATOM 547 CA PHE A 36 5.990 3.576 -6.823 1.00 0.43 C ATOM 548 C PHE A 36 7.239 2.717 -6.769 1.00 0.39 C ATOM 549 O PHE A 36 8.347 3.215 -6.990 1.00 0.45 O ATOM 550 CB PHE A 36 5.388 3.532 -8.232 1.00 0.48 C ATOM 551 CG PHE A 36 4.246 4.485 -8.450 1.00 0.58 C ATOM 552 CD1 PHE A 36 2.946 4.109 -8.159 1.00 0.68 C ATOM 553 CD2 PHE A 36 4.476 5.755 -8.955 1.00 0.70 C ATOM 554 CE1 PHE A 36 1.897 4.984 -8.359 1.00 0.81 C ATOM 555 CE2 PHE A 36 3.430 6.635 -9.157 1.00 0.83 C ATOM 556 CZ PHE A 36 2.138 6.248 -8.861 1.00 0.87 C ATOM 0 H PHE A 36 7.098 5.334 -7.016 1.00 0.47 H new ATOM 0 HA PHE A 36 5.245 3.198 -6.123 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.172 3.753 -8.956 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.043 2.518 -8.435 1.00 0.48 H new ATOM 0 HD1 PHE A 36 2.750 3.120 -7.771 1.00 0.68 H new ATOM 0 HD2 PHE A 36 5.484 6.060 -9.193 1.00 0.70 H new ATOM 0 HE1 PHE A 36 0.888 4.680 -8.123 1.00 0.81 H new ATOM 0 HE2 PHE A 36 3.623 7.624 -9.546 1.00 0.83 H new ATOM 0 HZ PHE A 36 1.318 6.932 -9.022 1.00 0.87 H new ATOM 566 N ILE A 37 7.074 1.441 -6.475 1.00 0.36 N ATOM 567 CA ILE A 37 8.211 0.538 -6.397 1.00 0.33 C ATOM 568 C ILE A 37 8.691 0.188 -7.801 1.00 0.33 C ATOM 569 O ILE A 37 7.991 -0.479 -8.559 1.00 0.38 O ATOM 570 CB ILE A 37 7.863 -0.758 -5.633 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.213 -0.427 -4.285 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.112 -1.608 -5.432 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.095 0.377 -3.355 1.00 0.38 C ATOM 0 H ILE A 37 6.170 1.007 -6.287 1.00 0.36 H new ATOM 0 HA ILE A 37 9.002 1.050 -5.849 1.00 0.33 H new ATOM 0 HB ILE A 37 7.150 -1.330 -6.227 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.292 0.127 -4.464 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.934 -1.357 -3.790 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.850 -2.518 -4.892 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.533 -1.871 -6.402 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.847 -1.044 -4.858 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.562 0.569 -2.424 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.006 -0.183 -3.143 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.353 1.325 -3.827 1.00 0.38 H new ATOM 585 N ARG A 38 9.876 0.680 -8.146 1.00 0.34 N ATOM 586 CA ARG A 38 10.475 0.413 -9.445 1.00 0.41 C ATOM 587 C ARG A 38 10.869 -1.049 -9.545 1.00 0.40 C ATOM 588 O ARG A 38 10.433 -1.763 -10.445 1.00 0.49 O ATOM 589 CB ARG A 38 11.700 1.313 -9.650 1.00 0.50 C ATOM 590 CG ARG A 38 12.551 0.951 -10.862 1.00 0.67 C ATOM 591 CD ARG A 38 11.772 1.047 -12.163 1.00 1.24 C ATOM 592 NE ARG A 38 12.599 0.698 -13.315 1.00 1.56 N ATOM 593 CZ ARG A 38 12.207 0.827 -14.580 1.00 2.17 C ATOM 594 NH1 ARG A 38 10.971 1.230 -14.858 1.00 2.83 N ATOM 595 NH2 ARG A 38 13.043 0.541 -15.571 1.00 2.62 N ATOM 0 H ARG A 38 10.443 1.270 -7.537 1.00 0.34 H new ATOM 0 HA ARG A 38 9.746 0.631 -10.226 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.365 2.345 -9.752 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.323 1.267 -8.757 1.00 0.50 H new ATOM 0 HG2 ARG A 38 13.414 1.615 -10.908 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.934 -0.063 -10.744 1.00 0.67 H new ATOM 0 HD2 ARG A 38 10.909 0.383 -12.120 1.00 1.24 H new ATOM 0 HD3 ARG A 38 11.389 2.060 -12.284 1.00 1.24 H new ATOM 0 HE ARG A 38 13.535 0.333 -13.139 1.00 1.56 H new ATOM 0 HH11 ARG A 38 10.321 1.441 -14.101 1.00 2.83 H new ATOM 0 HH12 ARG A 38 10.673 1.328 -15.828 1.00 2.83 H new ATOM 0 HH21 ARG A 38 13.989 0.221 -15.364 1.00 2.62 H new ATOM 0 HH22 ARG A 38 12.739 0.641 -16.540 1.00 2.62 H new ATOM 609 N SER A 39 11.696 -1.479 -8.611 1.00 0.36 N ATOM 610 CA SER A 39 12.163 -2.850 -8.560 1.00 0.40 C ATOM 611 C SER A 39 12.679 -3.145 -7.166 1.00 0.32 C ATOM 612 O SER A 39 13.298 -2.287 -6.534 1.00 0.37 O ATOM 613 CB SER A 39 13.276 -3.089 -9.591 1.00 0.54 C ATOM 614 OG SER A 39 12.830 -2.817 -10.911 1.00 1.26 O ATOM 0 H SER A 39 12.063 -0.887 -7.866 1.00 0.36 H new ATOM 0 HA SER A 39 11.333 -3.515 -8.798 1.00 0.40 H new ATOM 0 HB2 SER A 39 14.132 -2.456 -9.357 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.617 -4.122 -9.527 1.00 0.54 H new ATOM 0 HG SER A 39 11.852 -2.758 -10.920 1.00 1.26 H new ATOM 620 N VAL A 40 12.401 -4.334 -6.671 1.00 0.36 N ATOM 621 CA VAL A 40 12.950 -4.760 -5.401 1.00 0.30 C ATOM 622 C VAL A 40 14.043 -5.783 -5.664 1.00 0.31 C ATOM 623 O VAL A 40 13.869 -6.694 -6.475 1.00 0.37 O ATOM 624 CB VAL A 40 11.868 -5.336 -4.458 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.195 -6.552 -5.070 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.462 -5.674 -3.100 1.00 0.32 C ATOM 0 H VAL A 40 11.800 -5.020 -7.128 1.00 0.36 H new ATOM 0 HA VAL A 40 13.366 -3.891 -4.891 1.00 0.30 H new ATOM 0 HB VAL A 40 11.106 -4.570 -4.317 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.440 -6.934 -4.383 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.721 -6.271 -6.011 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.940 -7.325 -5.256 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.683 -6.078 -2.453 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.252 -6.415 -3.223 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.877 -4.772 -2.650 1.00 0.32 H new ATOM 636 N ASP A 41 15.175 -5.607 -5.013 1.00 0.35 N ATOM 637 CA ASP A 41 16.337 -6.434 -5.282 1.00 0.45 C ATOM 638 C ASP A 41 16.247 -7.730 -4.492 1.00 0.48 C ATOM 639 O ASP A 41 16.236 -7.707 -3.267 1.00 0.51 O ATOM 640 CB ASP A 41 17.607 -5.675 -4.901 1.00 0.54 C ATOM 641 CG ASP A 41 18.802 -6.092 -5.731 1.00 1.27 C ATOM 642 OD1 ASP A 41 19.349 -7.187 -5.479 1.00 2.28 O ATOM 643 OD2 ASP A 41 19.204 -5.335 -6.639 1.00 1.32 O ATOM 0 H ASP A 41 15.317 -4.898 -4.293 1.00 0.35 H new ATOM 0 HA ASP A 41 16.369 -6.673 -6.345 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.438 -4.605 -5.025 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.825 -5.843 -3.846 1.00 0.54 H new ATOM 648 N PRO A 42 16.154 -8.878 -5.181 1.00 0.58 N ATOM 649 CA PRO A 42 16.073 -10.188 -4.530 1.00 0.69 C ATOM 650 C PRO A 42 17.218 -10.406 -3.545 1.00 0.69 C ATOM 651 O PRO A 42 18.315 -9.873 -3.732 1.00 1.17 O ATOM 652 CB PRO A 42 16.152 -11.189 -5.690 1.00 0.84 C ATOM 653 CG PRO A 42 16.579 -10.396 -6.879 1.00 0.93 C ATOM 654 CD PRO A 42 16.110 -8.993 -6.641 1.00 0.69 C ATOM 0 HA PRO A 42 15.162 -10.293 -3.940 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.865 -11.984 -5.473 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.187 -11.665 -5.863 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.662 -10.429 -6.999 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.144 -10.801 -7.793 1.00 0.93 H new ATOM 0 HD2 PRO A 42 16.759 -8.262 -7.124 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.104 -8.832 -7.029 1.00 0.69 H new ATOM 662 N ASP A 43 16.954 -11.204 -2.514 1.00 0.75 N ATOM 663 CA ASP A 43 17.887 -11.389 -1.402 1.00 0.87 C ATOM 664 C ASP A 43 18.069 -10.073 -0.650 1.00 0.70 C ATOM 665 O ASP A 43 19.174 -9.545 -0.514 1.00 0.86 O ATOM 666 CB ASP A 43 19.236 -11.939 -1.890 1.00 1.14 C ATOM 667 CG ASP A 43 20.204 -12.222 -0.755 1.00 1.69 C ATOM 668 OD1 ASP A 43 19.867 -13.036 0.134 1.00 1.92 O ATOM 669 OD2 ASP A 43 21.303 -11.625 -0.740 1.00 2.40 O ATOM 0 H ASP A 43 16.091 -11.740 -2.424 1.00 0.75 H new ATOM 0 HA ASP A 43 17.466 -12.126 -0.718 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.066 -12.857 -2.453 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.688 -11.223 -2.576 1.00 1.14 H new ATOM 674 N SER A 44 16.955 -9.528 -0.192 1.00 0.57 N ATOM 675 CA SER A 44 16.962 -8.310 0.599 1.00 0.48 C ATOM 676 C SER A 44 15.849 -8.361 1.636 1.00 0.40 C ATOM 677 O SER A 44 14.864 -9.087 1.462 1.00 0.39 O ATOM 678 CB SER A 44 16.761 -7.090 -0.305 1.00 0.47 C ATOM 679 OG SER A 44 15.469 -7.103 -0.897 1.00 0.46 O ATOM 0 H SER A 44 16.026 -9.915 -0.357 1.00 0.57 H new ATOM 0 HA SER A 44 17.925 -8.226 1.103 1.00 0.48 H new ATOM 0 HB2 SER A 44 16.890 -6.177 0.276 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.522 -7.081 -1.085 1.00 0.47 H new ATOM 0 HG SER A 44 15.507 -7.576 -1.754 1.00 0.46 H new ATOM 685 N PRO A 45 15.987 -7.602 2.735 1.00 0.43 N ATOM 686 CA PRO A 45 14.919 -7.445 3.720 1.00 0.45 C ATOM 687 C PRO A 45 13.679 -6.811 3.093 1.00 0.38 C ATOM 688 O PRO A 45 12.563 -6.995 3.576 1.00 0.39 O ATOM 689 CB PRO A 45 15.525 -6.518 4.784 1.00 0.57 C ATOM 690 CG PRO A 45 16.691 -5.868 4.119 1.00 0.65 C ATOM 691 CD PRO A 45 17.200 -6.862 3.115 1.00 0.52 C ATOM 0 HA PRO A 45 14.590 -8.400 4.130 1.00 0.45 H new ATOM 0 HB2 PRO A 45 14.800 -5.777 5.120 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.837 -7.080 5.664 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.395 -4.939 3.633 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.464 -5.616 4.845 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.658 -6.370 2.257 1.00 0.52 H new ATOM 0 HD3 PRO A 45 17.955 -7.520 3.546 1.00 0.52 H new ATOM 699 N ALA A 46 13.883 -6.077 2.000 1.00 0.35 N ATOM 700 CA ALA A 46 12.785 -5.449 1.279 1.00 0.33 C ATOM 701 C ALA A 46 11.922 -6.504 0.592 1.00 0.30 C ATOM 702 O ALA A 46 10.707 -6.534 0.772 1.00 0.31 O ATOM 703 CB ALA A 46 13.317 -4.449 0.265 1.00 0.36 C ATOM 0 H ALA A 46 14.803 -5.904 1.596 1.00 0.35 H new ATOM 0 HA ALA A 46 12.164 -4.913 1.996 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.483 -3.989 -0.265 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.889 -3.678 0.780 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.961 -4.962 -0.449 1.00 0.36 H new ATOM 709 N GLU A 47 12.557 -7.377 -0.176 1.00 0.31 N ATOM 710 CA GLU A 47 11.851 -8.487 -0.805 1.00 0.33 C ATOM 711 C GLU A 47 11.243 -9.385 0.267 1.00 0.34 C ATOM 712 O GLU A 47 10.066 -9.738 0.202 1.00 0.40 O ATOM 713 CB GLU A 47 12.816 -9.275 -1.699 1.00 0.40 C ATOM 714 CG GLU A 47 12.271 -10.601 -2.224 1.00 0.53 C ATOM 715 CD GLU A 47 11.041 -10.454 -3.102 1.00 1.12 C ATOM 716 OE1 GLU A 47 11.161 -9.890 -4.211 1.00 1.51 O ATOM 717 OE2 GLU A 47 9.948 -10.881 -2.684 1.00 2.01 O ATOM 0 H GLU A 47 13.556 -7.340 -0.379 1.00 0.31 H new ATOM 0 HA GLU A 47 11.044 -8.101 -1.428 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.092 -8.651 -2.549 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.729 -9.471 -1.138 1.00 0.40 H new ATOM 0 HG2 GLU A 47 13.053 -11.105 -2.792 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.027 -11.243 -1.378 1.00 0.53 H new ATOM 724 N ALA A 48 12.044 -9.698 1.283 1.00 0.34 N ATOM 725 CA ALA A 48 11.619 -10.580 2.365 1.00 0.38 C ATOM 726 C ALA A 48 10.384 -10.047 3.088 1.00 0.37 C ATOM 727 O ALA A 48 9.525 -10.826 3.503 1.00 0.47 O ATOM 728 CB ALA A 48 12.759 -10.784 3.356 1.00 0.44 C ATOM 0 H ALA A 48 12.998 -9.350 1.379 1.00 0.34 H new ATOM 0 HA ALA A 48 11.350 -11.537 1.919 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.430 -11.444 4.159 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.610 -11.232 2.844 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.053 -9.822 3.775 1.00 0.44 H new ATOM 734 N SER A 49 10.291 -8.726 3.219 1.00 0.31 N ATOM 735 CA SER A 49 9.189 -8.097 3.934 1.00 0.32 C ATOM 736 C SER A 49 7.875 -8.233 3.159 1.00 0.35 C ATOM 737 O SER A 49 6.789 -8.099 3.727 1.00 0.40 O ATOM 738 CB SER A 49 9.510 -6.620 4.185 1.00 0.32 C ATOM 739 OG SER A 49 9.495 -5.874 2.981 1.00 0.31 O ATOM 0 H SER A 49 10.971 -8.069 2.836 1.00 0.31 H new ATOM 0 HA SER A 49 9.065 -8.606 4.890 1.00 0.32 H new ATOM 0 HB2 SER A 49 8.784 -6.202 4.882 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.490 -6.534 4.655 1.00 0.32 H new ATOM 0 HG SER A 49 9.988 -6.361 2.288 1.00 0.31 H new ATOM 745 N GLY A 50 7.984 -8.503 1.860 1.00 0.36 N ATOM 746 CA GLY A 50 6.801 -8.673 1.036 1.00 0.43 C ATOM 747 C GLY A 50 6.545 -7.480 0.137 1.00 0.43 C ATOM 748 O GLY A 50 5.425 -6.974 0.068 1.00 0.62 O ATOM 0 H GLY A 50 8.870 -8.607 1.365 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.914 -9.568 0.424 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.935 -8.833 1.678 1.00 0.43 H new ATOM 752 N LEU A 51 7.585 -7.023 -0.546 1.00 0.41 N ATOM 753 CA LEU A 51 7.469 -5.884 -1.449 1.00 0.40 C ATOM 754 C LEU A 51 7.555 -6.353 -2.902 1.00 0.48 C ATOM 755 O LEU A 51 8.371 -7.213 -3.233 1.00 0.65 O ATOM 756 CB LEU A 51 8.580 -4.874 -1.153 1.00 0.38 C ATOM 757 CG LEU A 51 8.463 -3.539 -1.887 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.189 -2.816 -1.475 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.685 -2.675 -1.611 1.00 0.37 C ATOM 0 H LEU A 51 8.521 -7.424 -0.492 1.00 0.41 H new ATOM 0 HA LEU A 51 6.503 -5.404 -1.295 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.595 -4.680 -0.081 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.538 -5.327 -1.408 1.00 0.38 H new ATOM 0 HG LEU A 51 8.414 -3.733 -2.958 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.121 -1.867 -2.007 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.325 -3.433 -1.721 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.207 -2.630 -0.401 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.588 -1.727 -2.140 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.763 -2.486 -0.540 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.581 -3.192 -1.954 1.00 0.37 H new ATOM 771 N ARG A 52 6.709 -5.800 -3.761 1.00 0.53 N ATOM 772 CA ARG A 52 6.699 -6.169 -5.169 1.00 0.65 C ATOM 773 C ARG A 52 7.016 -4.943 -6.027 1.00 0.55 C ATOM 774 O ARG A 52 6.748 -3.813 -5.627 1.00 0.61 O ATOM 775 CB ARG A 52 5.335 -6.755 -5.551 1.00 0.86 C ATOM 776 CG ARG A 52 5.342 -7.528 -6.859 1.00 1.23 C ATOM 777 CD ARG A 52 6.238 -8.750 -6.765 1.00 2.05 C ATOM 778 NE ARG A 52 6.324 -9.469 -8.034 1.00 2.59 N ATOM 779 CZ ARG A 52 7.456 -9.950 -8.545 1.00 3.57 C ATOM 780 NH1 ARG A 52 8.596 -9.837 -7.872 1.00 4.13 N ATOM 781 NH2 ARG A 52 7.442 -10.568 -9.721 1.00 4.38 N ATOM 0 H ARG A 52 6.020 -5.093 -3.506 1.00 0.53 H new ATOM 0 HA ARG A 52 7.461 -6.928 -5.346 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.997 -7.415 -4.752 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.610 -5.945 -5.623 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.327 -7.836 -7.109 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.687 -6.881 -7.666 1.00 1.23 H new ATOM 0 HD2 ARG A 52 7.237 -8.443 -6.455 1.00 2.05 H new ATOM 0 HD3 ARG A 52 5.856 -9.420 -5.995 1.00 2.05 H new ATOM 0 HE ARG A 52 5.463 -9.612 -8.562 1.00 2.59 H new ATOM 0 HH11 ARG A 52 8.607 -9.380 -6.960 1.00 4.13 H new ATOM 0 HH12 ARG A 52 9.460 -10.207 -8.267 1.00 4.13 H new ATOM 0 HH21 ARG A 52 6.565 -10.674 -10.231 1.00 4.38 H new ATOM 0 HH22 ARG A 52 8.308 -10.937 -10.114 1.00 4.38 H new ATOM 795 N ALA A 53 7.577 -5.168 -7.210 1.00 0.53 N ATOM 796 CA ALA A 53 8.051 -4.074 -8.060 1.00 0.54 C ATOM 797 C ALA A 53 6.925 -3.432 -8.870 1.00 0.61 C ATOM 798 O ALA A 53 7.136 -3.011 -10.010 1.00 1.44 O ATOM 799 CB ALA A 53 9.136 -4.580 -8.993 1.00 0.68 C ATOM 0 H ALA A 53 7.716 -6.098 -7.605 1.00 0.53 H new ATOM 0 HA ALA A 53 8.454 -3.304 -7.402 1.00 0.54 H new ATOM 0 HB1 ALA A 53 9.485 -3.762 -9.623 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.969 -4.967 -8.406 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.734 -5.375 -9.621 1.00 0.68 H new ATOM 805 N GLN A 54 5.738 -3.359 -8.283 1.00 0.65 N ATOM 806 CA GLN A 54 4.591 -2.731 -8.932 1.00 0.74 C ATOM 807 C GLN A 54 3.619 -2.184 -7.900 1.00 0.59 C ATOM 808 O GLN A 54 2.465 -1.892 -8.211 1.00 0.67 O ATOM 809 CB GLN A 54 3.873 -3.720 -9.855 1.00 0.99 C ATOM 810 CG GLN A 54 4.460 -3.769 -11.255 1.00 1.46 C ATOM 811 CD GLN A 54 4.310 -2.449 -11.990 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.157 -2.077 -12.807 1.00 2.99 O ATOM 813 NE2 GLN A 54 3.227 -1.737 -11.712 1.00 3.06 N ATOM 0 H GLN A 54 5.542 -3.729 -7.353 1.00 0.65 H new ATOM 0 HA GLN A 54 4.964 -1.903 -9.535 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.918 -4.716 -9.414 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.820 -3.447 -9.919 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.516 -4.030 -11.195 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.969 -4.557 -11.825 1.00 1.46 H new ATOM 0 HE21 GLN A 54 2.552 -2.081 -11.030 1.00 3.06 H new ATOM 0 HE22 GLN A 54 3.069 -0.845 -12.180 1.00 3.06 H new ATOM 822 N ASP A 55 4.100 -2.029 -6.678 1.00 0.47 N ATOM 823 CA ASP A 55 3.258 -1.568 -5.589 1.00 0.45 C ATOM 824 C ASP A 55 3.378 -0.062 -5.426 1.00 0.39 C ATOM 825 O ASP A 55 4.352 0.550 -5.879 1.00 0.48 O ATOM 826 CB ASP A 55 3.652 -2.237 -4.270 1.00 0.50 C ATOM 827 CG ASP A 55 3.653 -3.753 -4.322 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.845 -4.319 -5.089 1.00 1.02 O ATOM 829 OD2 ASP A 55 4.469 -4.389 -3.624 1.00 1.01 O ATOM 0 H ASP A 55 5.068 -2.216 -6.416 1.00 0.47 H new ATOM 0 HA ASP A 55 2.230 -1.833 -5.835 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.646 -1.893 -3.983 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.964 -1.911 -3.490 1.00 0.50 H new ATOM 834 N ARG A 56 2.387 0.535 -4.779 1.00 0.38 N ATOM 835 CA ARG A 56 2.452 1.943 -4.429 1.00 0.42 C ATOM 836 C ARG A 56 2.477 2.087 -2.916 1.00 0.39 C ATOM 837 O ARG A 56 1.738 1.401 -2.207 1.00 0.39 O ATOM 838 CB ARG A 56 1.264 2.726 -4.992 1.00 0.56 C ATOM 839 CG ARG A 56 1.426 4.233 -4.837 1.00 0.78 C ATOM 840 CD ARG A 56 0.095 4.956 -4.931 1.00 0.79 C ATOM 841 NE ARG A 56 -0.737 4.719 -3.750 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.981 4.238 -3.798 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.510 3.885 -4.960 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.687 4.094 -2.682 1.00 1.57 N ATOM 0 H ARG A 56 1.530 0.065 -4.487 1.00 0.38 H new ATOM 0 HA ARG A 56 3.362 2.354 -4.866 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.143 2.485 -6.048 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.352 2.409 -4.486 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.891 4.452 -3.876 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.098 4.608 -5.609 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.270 6.026 -5.044 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -0.437 4.624 -5.823 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.342 4.935 -2.835 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.967 3.981 -5.818 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.461 3.517 -4.997 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.279 4.351 -1.783 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.637 3.726 -2.724 1.00 1.57 H new ATOM 858 N ILE A 57 3.322 2.979 -2.434 1.00 0.40 N ATOM 859 CA ILE A 57 3.466 3.203 -1.007 1.00 0.38 C ATOM 860 C ILE A 57 2.338 4.085 -0.478 1.00 0.38 C ATOM 861 O ILE A 57 2.070 5.162 -1.015 1.00 0.49 O ATOM 862 CB ILE A 57 4.834 3.839 -0.686 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.953 2.878 -1.094 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.933 4.186 0.793 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.344 3.425 -0.872 1.00 0.68 C ATOM 0 H ILE A 57 3.923 3.564 -3.014 1.00 0.40 H new ATOM 0 HA ILE A 57 3.409 2.234 -0.511 1.00 0.38 H new ATOM 0 HB ILE A 57 4.937 4.765 -1.252 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.844 1.950 -0.532 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.836 2.627 -2.148 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.906 4.633 0.997 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.146 4.894 1.054 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.818 3.280 1.388 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.080 2.685 -1.186 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.474 4.336 -1.456 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.482 3.649 0.186 1.00 0.68 H new ATOM 877 N VAL A 58 1.660 3.600 0.556 1.00 0.29 N ATOM 878 CA VAL A 58 0.572 4.342 1.179 1.00 0.32 C ATOM 879 C VAL A 58 0.999 4.886 2.543 1.00 0.30 C ATOM 880 O VAL A 58 0.689 6.021 2.890 1.00 0.37 O ATOM 881 CB VAL A 58 -0.686 3.464 1.356 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.870 4.305 1.807 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.014 2.726 0.067 1.00 0.62 C ATOM 0 H VAL A 58 1.846 2.692 0.982 1.00 0.29 H new ATOM 0 HA VAL A 58 0.329 5.171 0.514 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.477 2.725 2.129 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.746 3.667 1.926 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.636 4.781 2.759 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.078 5.071 1.060 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.904 2.114 0.215 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.198 3.448 -0.729 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.176 2.087 -0.210 1.00 0.62 H new ATOM 893 N GLU A 59 1.705 4.066 3.310 1.00 0.24 N ATOM 894 CA GLU A 59 2.239 4.494 4.603 1.00 0.25 C ATOM 895 C GLU A 59 3.706 4.115 4.732 1.00 0.22 C ATOM 896 O GLU A 59 4.126 3.061 4.256 1.00 0.23 O ATOM 897 CB GLU A 59 1.460 3.880 5.777 1.00 0.29 C ATOM 898 CG GLU A 59 0.120 4.538 6.066 1.00 0.40 C ATOM 899 CD GLU A 59 -0.497 4.027 7.356 1.00 0.44 C ATOM 900 OE1 GLU A 59 0.149 4.136 8.420 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.630 3.498 7.308 1.00 0.43 O ATOM 0 H GLU A 59 1.923 3.101 3.063 1.00 0.24 H new ATOM 0 HA GLU A 59 2.132 5.578 4.643 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.293 2.823 5.571 1.00 0.29 H new ATOM 0 HB3 GLU A 59 2.077 3.936 6.674 1.00 0.29 H new ATOM 0 HG2 GLU A 59 0.253 5.618 6.130 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.563 4.349 5.238 1.00 0.40 H new ATOM 908 N VAL A 60 4.475 4.987 5.364 1.00 0.22 N ATOM 909 CA VAL A 60 5.857 4.695 5.719 1.00 0.21 C ATOM 910 C VAL A 60 6.051 4.918 7.208 1.00 0.22 C ATOM 911 O VAL A 60 5.975 6.051 7.680 1.00 0.27 O ATOM 912 CB VAL A 60 6.873 5.581 4.964 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.294 5.269 5.422 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.744 5.391 3.464 1.00 0.66 C ATOM 0 H VAL A 60 4.161 5.916 5.645 1.00 0.22 H new ATOM 0 HA VAL A 60 6.041 3.658 5.439 1.00 0.21 H new ATOM 0 HB VAL A 60 6.655 6.624 5.194 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.998 5.901 4.881 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.382 5.461 6.491 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.519 4.222 5.222 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.469 6.025 2.953 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.933 4.348 3.212 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.737 5.664 3.148 1.00 0.66 H new ATOM 924 N ASN A 61 6.274 3.836 7.941 1.00 0.25 N ATOM 925 CA ASN A 61 6.540 3.911 9.380 1.00 0.30 C ATOM 926 C ASN A 61 5.368 4.538 10.130 1.00 0.36 C ATOM 927 O ASN A 61 5.552 5.178 11.161 1.00 0.47 O ATOM 928 CB ASN A 61 7.813 4.725 9.641 1.00 0.39 C ATOM 929 CG ASN A 61 9.061 4.068 9.089 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.997 3.236 8.188 1.00 1.17 O ATOM 931 ND2 ASN A 61 10.210 4.453 9.606 1.00 0.61 N ATOM 0 H ASN A 61 6.277 2.888 7.564 1.00 0.25 H new ATOM 0 HA ASN A 61 6.676 2.893 9.746 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.703 5.714 9.196 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.931 4.870 10.715 1.00 0.39 H new ATOM 0 HD21 ASN A 61 11.084 4.058 9.259 1.00 0.61 H new ATOM 0 HD22 ASN A 61 10.226 5.147 10.354 1.00 0.61 H new ATOM 938 N GLY A 62 4.166 4.356 9.601 1.00 0.37 N ATOM 939 CA GLY A 62 2.985 4.921 10.228 1.00 0.50 C ATOM 940 C GLY A 62 2.637 6.293 9.684 1.00 0.51 C ATOM 941 O GLY A 62 1.596 6.859 10.019 1.00 0.66 O ATOM 0 H GLY A 62 3.986 3.827 8.748 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.140 4.249 10.076 1.00 0.50 H new ATOM 0 HA3 GLY A 62 3.147 4.991 11.304 1.00 0.50 H new ATOM 945 N VAL A 63 3.515 6.838 8.854 1.00 0.42 N ATOM 946 CA VAL A 63 3.266 8.121 8.211 1.00 0.50 C ATOM 947 C VAL A 63 2.569 7.902 6.875 1.00 0.43 C ATOM 948 O VAL A 63 3.097 7.217 5.998 1.00 0.39 O ATOM 949 CB VAL A 63 4.575 8.911 7.990 1.00 0.61 C ATOM 950 CG1 VAL A 63 4.295 10.248 7.319 1.00 0.98 C ATOM 951 CG2 VAL A 63 5.310 9.116 9.308 1.00 1.17 C ATOM 0 H VAL A 63 4.408 6.411 8.609 1.00 0.42 H new ATOM 0 HA VAL A 63 2.626 8.707 8.872 1.00 0.50 H new ATOM 0 HB VAL A 63 5.214 8.326 7.329 1.00 0.61 H new ATOM 0 HG11 VAL A 63 5.232 10.786 7.174 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.821 10.078 6.352 1.00 0.98 H new ATOM 0 HG13 VAL A 63 3.631 10.839 7.949 1.00 0.98 H new ATOM 0 HG21 VAL A 63 6.229 9.674 9.129 1.00 1.17 H new ATOM 0 HG22 VAL A 63 4.675 9.674 9.996 1.00 1.17 H new ATOM 0 HG23 VAL A 63 5.553 8.147 9.743 1.00 1.17 H new ATOM 961 N CYS A 64 1.390 8.483 6.723 1.00 0.49 N ATOM 962 CA CYS A 64 0.591 8.276 5.528 1.00 0.49 C ATOM 963 C CYS A 64 1.097 9.158 4.394 1.00 0.47 C ATOM 964 O CYS A 64 1.162 10.384 4.519 1.00 0.51 O ATOM 965 CB CYS A 64 -0.889 8.562 5.807 1.00 0.59 C ATOM 966 SG CYS A 64 -1.997 8.110 4.450 1.00 1.68 S ATOM 0 H CYS A 64 0.965 9.102 7.413 1.00 0.49 H new ATOM 0 HA CYS A 64 0.686 7.232 5.229 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.190 8.020 6.704 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.009 9.624 6.021 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.223 8.387 4.781 1.00 1.68 H new ATOM 972 N MET A 65 1.455 8.527 3.289 1.00 0.48 N ATOM 973 CA MET A 65 2.006 9.229 2.144 1.00 0.53 C ATOM 974 C MET A 65 0.907 9.556 1.146 1.00 0.61 C ATOM 975 O MET A 65 0.977 9.192 -0.028 1.00 0.81 O ATOM 976 CB MET A 65 3.104 8.391 1.492 1.00 0.61 C ATOM 977 CG MET A 65 4.278 8.135 2.420 1.00 0.63 C ATOM 978 SD MET A 65 4.943 9.664 3.106 1.00 0.61 S ATOM 979 CE MET A 65 6.175 9.031 4.236 1.00 0.74 C ATOM 0 H MET A 65 1.372 7.518 3.161 1.00 0.48 H new ATOM 0 HA MET A 65 2.446 10.167 2.482 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.685 7.437 1.172 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.459 8.900 0.596 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.962 7.481 3.232 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.063 7.611 1.875 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.834 9.841 4.547 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.683 8.608 5.112 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.760 8.257 3.740 1.00 0.74 H new ATOM 989 N GLU A 66 -0.108 10.256 1.632 1.00 0.83 N ATOM 990 CA GLU A 66 -1.251 10.645 0.814 1.00 1.01 C ATOM 991 C GLU A 66 -0.905 11.838 -0.077 1.00 1.08 C ATOM 992 O GLU A 66 -1.402 12.946 0.117 1.00 1.86 O ATOM 993 CB GLU A 66 -2.455 10.974 1.708 1.00 1.29 C ATOM 994 CG GLU A 66 -2.120 11.904 2.865 1.00 2.19 C ATOM 995 CD GLU A 66 -3.342 12.360 3.632 1.00 3.03 C ATOM 996 OE1 GLU A 66 -3.853 11.588 4.464 1.00 3.75 O ATOM 997 OE2 GLU A 66 -3.789 13.508 3.417 1.00 3.33 O ATOM 0 H GLU A 66 -0.164 10.570 2.601 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.511 9.806 0.168 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -3.234 11.432 1.099 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.865 10.046 2.106 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.439 11.395 3.547 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -1.593 12.777 2.481 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.039 11.603 -1.052 1.00 1.21 N ATOM 1005 CA GLY A 67 0.356 12.661 -1.963 1.00 1.36 C ATOM 1006 C GLY A 67 1.553 13.434 -1.454 1.00 1.24 C ATOM 1007 O GLY A 67 1.734 14.608 -1.779 1.00 1.47 O ATOM 0 H GLY A 67 0.398 10.699 -1.230 1.00 1.21 H new ATOM 0 HA2 GLY A 67 0.590 12.231 -2.937 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -0.481 13.344 -2.109 1.00 1.36 H new ATOM 1011 N LYS A 68 2.361 12.775 -0.635 1.00 0.97 N ATOM 1012 CA LYS A 68 3.576 13.375 -0.101 1.00 0.87 C ATOM 1013 C LYS A 68 4.622 13.568 -1.196 1.00 0.90 C ATOM 1014 O LYS A 68 4.644 12.846 -2.196 1.00 1.06 O ATOM 1015 CB LYS A 68 4.148 12.498 1.011 1.00 0.73 C ATOM 1016 CG LYS A 68 3.248 12.396 2.229 1.00 1.24 C ATOM 1017 CD LYS A 68 3.096 13.736 2.922 1.00 2.01 C ATOM 1018 CE LYS A 68 2.156 13.640 4.106 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.017 14.943 4.806 1.00 3.36 N ATOM 0 H LYS A 68 2.195 11.818 -0.324 1.00 0.97 H new ATOM 0 HA LYS A 68 3.319 14.354 0.304 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.327 11.497 0.617 1.00 0.73 H new ATOM 0 HB3 LYS A 68 5.115 12.898 1.317 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.267 12.028 1.928 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.661 11.669 2.928 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.072 14.087 3.257 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.718 14.473 2.214 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.177 13.303 3.766 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.526 12.890 4.804 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.366 14.837 5.610 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.948 15.252 5.152 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.640 15.653 4.146 1.00 3.36 H new ATOM 1033 N GLN A 69 5.477 14.552 -0.989 1.00 0.87 N ATOM 1034 CA GLN A 69 6.530 14.865 -1.937 1.00 0.93 C ATOM 1035 C GLN A 69 7.730 13.958 -1.701 1.00 0.81 C ATOM 1036 O GLN A 69 7.948 13.469 -0.595 1.00 0.74 O ATOM 1037 CB GLN A 69 6.935 16.330 -1.791 1.00 1.07 C ATOM 1038 CG GLN A 69 5.777 17.296 -1.986 1.00 1.33 C ATOM 1039 CD GLN A 69 5.229 17.283 -3.400 1.00 2.12 C ATOM 1040 OE1 GLN A 69 4.034 17.475 -3.619 1.00 2.64 O ATOM 1041 NE2 GLN A 69 6.104 17.095 -4.374 1.00 2.89 N ATOM 0 H GLN A 69 5.462 15.153 -0.165 1.00 0.87 H new ATOM 0 HA GLN A 69 6.163 14.699 -2.950 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.365 16.484 -0.801 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.716 16.558 -2.517 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.978 17.042 -1.290 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.107 18.305 -1.739 1.00 1.33 H new ATOM 0 HE21 GLN A 69 7.087 16.939 -4.153 1.00 2.89 H new ATOM 0 HE22 GLN A 69 5.795 17.106 -5.346 1.00 2.89 H new ATOM 1050 N HIS A 70 8.495 13.746 -2.771 1.00 0.84 N ATOM 1051 CA HIS A 70 9.495 12.682 -2.839 1.00 0.79 C ATOM 1052 C HIS A 70 10.482 12.721 -1.681 1.00 0.70 C ATOM 1053 O HIS A 70 10.852 11.671 -1.154 1.00 0.65 O ATOM 1054 CB HIS A 70 10.251 12.752 -4.170 1.00 0.88 C ATOM 1055 CG HIS A 70 11.238 11.639 -4.366 1.00 0.90 C ATOM 1056 ND1 HIS A 70 10.865 10.355 -4.709 1.00 1.42 N ATOM 1057 CD2 HIS A 70 12.588 11.618 -4.252 1.00 1.37 C ATOM 1058 CE1 HIS A 70 11.942 9.595 -4.797 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.999 10.334 -4.526 1.00 1.13 N ATOM 0 H HIS A 70 8.438 14.310 -3.619 1.00 0.84 H new ATOM 0 HA HIS A 70 8.954 11.738 -2.767 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.530 12.734 -4.988 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.776 13.705 -4.229 1.00 0.88 H new ATOM 0 HD2 HIS A 70 13.223 12.453 -3.994 1.00 1.37 H new ATOM 0 HE1 HIS A 70 11.954 8.545 -5.049 1.00 1.31 H new ATOM 0 HE2 HIS A 70 13.965 10.007 -4.520 1.00 1.13 H new ATOM 1068 N GLY A 71 10.907 13.917 -1.297 1.00 0.72 N ATOM 1069 CA GLY A 71 11.872 14.051 -0.224 1.00 0.69 C ATOM 1070 C GLY A 71 11.282 13.705 1.129 1.00 0.62 C ATOM 1071 O GLY A 71 11.979 13.205 2.011 1.00 0.62 O ATOM 0 H GLY A 71 10.600 14.798 -1.710 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.725 13.402 -0.422 1.00 0.69 H new ATOM 0 HA3 GLY A 71 12.248 15.074 -0.203 1.00 0.69 H new ATOM 1075 N ASP A 72 9.988 13.955 1.280 1.00 0.61 N ATOM 1076 CA ASP A 72 9.290 13.709 2.538 1.00 0.58 C ATOM 1077 C ASP A 72 9.195 12.211 2.800 1.00 0.49 C ATOM 1078 O ASP A 72 9.499 11.734 3.895 1.00 0.44 O ATOM 1079 CB ASP A 72 7.887 14.318 2.484 1.00 0.68 C ATOM 1080 CG ASP A 72 7.223 14.429 3.843 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.898 14.143 4.858 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.019 14.752 3.907 1.00 2.03 O ATOM 0 H ASP A 72 9.395 14.331 0.540 1.00 0.61 H new ATOM 0 HA ASP A 72 9.850 14.175 3.349 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.947 15.310 2.036 1.00 0.68 H new ATOM 0 HB3 ASP A 72 7.261 13.710 1.831 1.00 0.68 H new ATOM 1087 N VAL A 73 8.796 11.474 1.767 1.00 0.50 N ATOM 1088 CA VAL A 73 8.656 10.025 1.859 1.00 0.45 C ATOM 1089 C VAL A 73 10.001 9.364 2.161 1.00 0.44 C ATOM 1090 O VAL A 73 10.102 8.514 3.046 1.00 0.43 O ATOM 1091 CB VAL A 73 8.072 9.433 0.554 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.888 7.925 0.672 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.752 10.105 0.205 1.00 0.97 C ATOM 0 H VAL A 73 8.563 11.860 0.852 1.00 0.50 H new ATOM 0 HA VAL A 73 7.966 9.819 2.677 1.00 0.45 H new ATOM 0 HB VAL A 73 8.782 9.625 -0.250 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.476 7.535 -0.259 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.852 7.455 0.868 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.204 7.705 1.492 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.357 9.675 -0.716 1.00 0.97 H new ATOM 0 HG22 VAL A 73 6.039 9.948 1.014 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.913 11.174 0.066 1.00 0.97 H new ATOM 1103 N VAL A 74 11.038 9.780 1.436 1.00 0.49 N ATOM 1104 CA VAL A 74 12.377 9.225 1.622 1.00 0.53 C ATOM 1105 C VAL A 74 12.913 9.544 3.018 1.00 0.51 C ATOM 1106 O VAL A 74 13.510 8.689 3.678 1.00 0.52 O ATOM 1107 CB VAL A 74 13.365 9.753 0.554 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.775 9.240 0.815 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.905 9.353 -0.840 1.00 0.70 C ATOM 0 H VAL A 74 10.977 10.499 0.715 1.00 0.49 H new ATOM 0 HA VAL A 74 12.293 8.144 1.511 1.00 0.53 H new ATOM 0 HB VAL A 74 13.382 10.841 0.617 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.450 9.625 0.051 1.00 0.72 H new ATOM 0 HG12 VAL A 74 15.109 9.576 1.797 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.777 8.150 0.785 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.611 9.732 -1.579 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.856 8.266 -0.909 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.918 9.774 -1.032 1.00 0.70 H new ATOM 1119 N SER A 75 12.680 10.772 3.469 1.00 0.51 N ATOM 1120 CA SER A 75 13.137 11.205 4.781 1.00 0.52 C ATOM 1121 C SER A 75 12.500 10.357 5.878 1.00 0.47 C ATOM 1122 O SER A 75 13.151 10.017 6.869 1.00 0.51 O ATOM 1123 CB SER A 75 12.810 12.686 4.992 1.00 0.58 C ATOM 1124 OG SER A 75 13.381 13.177 6.193 1.00 0.66 O ATOM 0 H SER A 75 12.176 11.485 2.942 1.00 0.51 H new ATOM 0 HA SER A 75 14.218 11.075 4.832 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.182 13.266 4.147 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.729 12.821 5.020 1.00 0.58 H new ATOM 0 HG SER A 75 13.156 14.125 6.299 1.00 0.66 H new ATOM 1130 N ALA A 76 11.234 10.001 5.683 1.00 0.42 N ATOM 1131 CA ALA A 76 10.506 9.184 6.647 1.00 0.39 C ATOM 1132 C ALA A 76 11.100 7.782 6.734 1.00 0.37 C ATOM 1133 O ALA A 76 11.187 7.203 7.817 1.00 0.39 O ATOM 1134 CB ALA A 76 9.033 9.117 6.280 1.00 0.39 C ATOM 0 H ALA A 76 10.689 10.267 4.863 1.00 0.42 H new ATOM 0 HA ALA A 76 10.600 9.651 7.627 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.504 8.504 7.009 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.612 10.123 6.278 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.925 8.677 5.289 1.00 0.39 H new ATOM 1140 N ILE A 77 11.518 7.245 5.592 1.00 0.37 N ATOM 1141 CA ILE A 77 12.167 5.940 5.554 1.00 0.39 C ATOM 1142 C ILE A 77 13.453 5.964 6.378 1.00 0.41 C ATOM 1143 O ILE A 77 13.744 5.033 7.135 1.00 0.44 O ATOM 1144 CB ILE A 77 12.494 5.532 4.104 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.218 5.512 3.265 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.180 4.174 4.067 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.469 5.408 1.780 1.00 0.69 C ATOM 0 H ILE A 77 11.419 7.693 4.681 1.00 0.37 H new ATOM 0 HA ILE A 77 11.478 5.209 5.978 1.00 0.39 H new ATOM 0 HB ILE A 77 13.179 6.268 3.683 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.600 4.671 3.580 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.648 6.419 3.465 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.401 3.906 3.034 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.108 4.220 4.637 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.523 3.422 4.504 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.517 5.399 1.250 1.00 0.69 H new ATOM 0 HD12 ILE A 77 12.060 6.262 1.450 1.00 0.69 H new ATOM 0 HD13 ILE A 77 12.012 4.487 1.566 1.00 0.69 H new ATOM 1159 N ARG A 78 14.205 7.049 6.240 1.00 0.43 N ATOM 1160 CA ARG A 78 15.445 7.232 6.988 1.00 0.50 C ATOM 1161 C ARG A 78 15.155 7.484 8.464 1.00 0.50 C ATOM 1162 O ARG A 78 15.980 7.195 9.331 1.00 0.56 O ATOM 1163 CB ARG A 78 16.246 8.403 6.412 1.00 0.58 C ATOM 1164 CG ARG A 78 16.666 8.207 4.967 1.00 0.66 C ATOM 1165 CD ARG A 78 17.388 9.432 4.433 1.00 0.89 C ATOM 1166 NE ARG A 78 17.810 9.262 3.043 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.999 10.270 2.189 1.00 2.11 C ATOM 1168 NH1 ARG A 78 17.748 11.519 2.558 1.00 2.12 N ATOM 1169 NH2 ARG A 78 18.412 10.026 0.950 1.00 3.09 N ATOM 0 H ARG A 78 13.977 7.821 5.613 1.00 0.43 H new ATOM 0 HA ARG A 78 16.032 6.318 6.898 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.648 9.311 6.487 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.136 8.556 7.022 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.317 7.336 4.890 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.787 8.004 4.355 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.733 10.300 4.508 1.00 0.89 H new ATOM 0 HD3 ARG A 78 18.261 9.637 5.053 1.00 0.89 H new ATOM 0 HE ARG A 78 17.970 8.313 2.705 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.408 11.714 3.500 1.00 2.12 H new ATOM 0 HH12 ARG A 78 17.895 12.284 1.900 1.00 2.12 H new ATOM 0 HH21 ARG A 78 18.585 9.067 0.650 1.00 3.09 H new ATOM 0 HH22 ARG A 78 18.556 10.798 0.299 1.00 3.09 H new ATOM 1183 N ALA A 79 13.968 8.014 8.740 1.00 0.47 N ATOM 1184 CA ALA A 79 13.573 8.359 10.101 1.00 0.51 C ATOM 1185 C ALA A 79 13.302 7.114 10.937 1.00 0.43 C ATOM 1186 O ALA A 79 13.198 7.195 12.161 1.00 0.46 O ATOM 1187 CB ALA A 79 12.349 9.263 10.088 1.00 0.65 C ATOM 0 H ALA A 79 13.259 8.215 8.035 1.00 0.47 H new ATOM 0 HA ALA A 79 14.404 8.895 10.560 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.068 9.510 11.112 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.579 10.179 9.543 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.522 8.748 9.599 1.00 0.65 H new ATOM 1193 N GLY A 80 13.186 5.968 10.275 1.00 0.41 N ATOM 1194 CA GLY A 80 13.001 4.720 10.988 1.00 0.42 C ATOM 1195 C GLY A 80 14.251 4.304 11.731 1.00 0.46 C ATOM 1196 O GLY A 80 14.197 3.513 12.674 1.00 0.60 O ATOM 0 H GLY A 80 13.217 5.882 9.259 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.177 4.824 11.694 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.720 3.937 10.283 1.00 0.42 H new ATOM 1200 N GLY A 81 15.383 4.846 11.308 1.00 0.49 N ATOM 1201 CA GLY A 81 16.636 4.546 11.955 1.00 0.63 C ATOM 1202 C GLY A 81 17.327 3.355 11.333 1.00 0.64 C ATOM 1203 O GLY A 81 18.181 3.512 10.458 1.00 1.10 O ATOM 0 H GLY A 81 15.452 5.492 10.522 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.291 5.415 11.897 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.459 4.350 13.013 1.00 0.63 H new ATOM 1207 N ASP A 82 16.954 2.159 11.768 1.00 0.43 N ATOM 1208 CA ASP A 82 17.582 0.945 11.269 1.00 0.44 C ATOM 1209 C ASP A 82 16.561 0.028 10.613 1.00 0.39 C ATOM 1210 O ASP A 82 16.900 -1.061 10.165 1.00 0.55 O ATOM 1211 CB ASP A 82 18.299 0.197 12.398 1.00 0.55 C ATOM 1212 CG ASP A 82 19.371 1.031 13.068 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.343 1.425 12.388 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.244 1.304 14.280 1.00 1.97 O ATOM 0 H ASP A 82 16.223 2.004 12.462 1.00 0.43 H new ATOM 0 HA ASP A 82 18.316 1.242 10.520 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.567 -0.113 13.144 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.749 -0.711 11.997 1.00 0.55 H new ATOM 1219 N GLU A 83 15.307 0.455 10.570 1.00 0.38 N ATOM 1220 CA GLU A 83 14.277 -0.297 9.863 1.00 0.39 C ATOM 1221 C GLU A 83 13.184 0.637 9.353 1.00 0.38 C ATOM 1222 O GLU A 83 13.065 1.774 9.809 1.00 0.53 O ATOM 1223 CB GLU A 83 13.668 -1.379 10.761 1.00 0.47 C ATOM 1224 CG GLU A 83 13.063 -0.848 12.042 1.00 0.86 C ATOM 1225 CD GLU A 83 12.102 -1.827 12.689 1.00 1.62 C ATOM 1226 OE1 GLU A 83 12.562 -2.728 13.425 1.00 2.11 O ATOM 1227 OE2 GLU A 83 10.879 -1.697 12.468 1.00 2.00 O ATOM 0 H GLU A 83 14.978 1.313 11.013 1.00 0.38 H new ATOM 0 HA GLU A 83 14.749 -0.785 9.010 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.898 -1.910 10.201 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.440 -2.107 11.011 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.862 -0.612 12.745 1.00 0.86 H new ATOM 0 HG3 GLU A 83 12.538 0.084 11.831 1.00 0.86 H new ATOM 1234 N THR A 84 12.401 0.160 8.398 1.00 0.27 N ATOM 1235 CA THR A 84 11.289 0.928 7.878 1.00 0.26 C ATOM 1236 C THR A 84 10.101 0.003 7.629 1.00 0.22 C ATOM 1237 O THR A 84 10.280 -1.191 7.384 1.00 0.21 O ATOM 1238 CB THR A 84 11.685 1.678 6.580 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.634 2.555 6.155 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.014 0.705 5.459 1.00 0.30 C ATOM 0 H THR A 84 12.518 -0.758 7.969 1.00 0.27 H new ATOM 0 HA THR A 84 11.007 1.679 8.616 1.00 0.26 H new ATOM 0 HB THR A 84 12.574 2.267 6.806 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.151 2.890 6.939 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.288 1.262 4.563 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.847 0.071 5.761 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.143 0.084 5.249 1.00 0.30 H new ATOM 1248 N LYS A 85 8.897 0.530 7.760 1.00 0.24 N ATOM 1249 CA LYS A 85 7.699 -0.243 7.482 1.00 0.23 C ATOM 1250 C LYS A 85 6.917 0.408 6.358 1.00 0.23 C ATOM 1251 O LYS A 85 6.442 1.535 6.496 1.00 0.26 O ATOM 1252 CB LYS A 85 6.819 -0.352 8.728 1.00 0.28 C ATOM 1253 CG LYS A 85 7.512 -1.002 9.913 1.00 0.37 C ATOM 1254 CD LYS A 85 6.596 -1.064 11.121 1.00 0.50 C ATOM 1255 CE LYS A 85 7.321 -1.579 12.352 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.427 -0.675 12.769 1.00 1.63 N ATOM 0 H LYS A 85 8.722 1.490 8.057 1.00 0.24 H new ATOM 0 HA LYS A 85 8.000 -1.247 7.183 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.487 0.646 9.015 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.926 -0.926 8.482 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.830 -2.009 9.643 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.411 -0.440 10.164 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.195 -0.071 11.324 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.748 -1.712 10.901 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.611 -1.685 13.172 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.722 -2.572 12.147 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.457 -0.619 13.807 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.332 -1.048 12.416 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.267 0.274 12.375 1.00 1.63 H new ATOM 1270 N LEU A 86 6.775 -0.302 5.259 1.00 0.22 N ATOM 1271 CA LEU A 86 6.087 0.229 4.099 1.00 0.22 C ATOM 1272 C LEU A 86 4.721 -0.422 3.954 1.00 0.22 C ATOM 1273 O LEU A 86 4.597 -1.639 4.009 1.00 0.27 O ATOM 1274 CB LEU A 86 6.913 -0.007 2.830 1.00 0.24 C ATOM 1275 CG LEU A 86 8.323 0.592 2.840 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.047 0.266 1.543 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.265 2.097 3.051 1.00 0.28 C ATOM 0 H LEU A 86 7.128 -1.252 5.143 1.00 0.22 H new ATOM 0 HA LEU A 86 5.957 1.302 4.238 1.00 0.22 H new ATOM 0 HB2 LEU A 86 6.995 -1.081 2.665 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.368 0.405 1.981 1.00 0.24 H new ATOM 0 HG LEU A 86 8.877 0.150 3.668 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.047 0.699 1.566 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.122 -0.816 1.430 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.491 0.681 0.702 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.277 2.503 3.055 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.693 2.556 2.244 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.784 2.312 4.005 1.00 0.28 H new ATOM 1289 N LEU A 87 3.701 0.388 3.776 1.00 0.20 N ATOM 1290 CA LEU A 87 2.362 -0.124 3.551 1.00 0.21 C ATOM 1291 C LEU A 87 2.016 0.023 2.084 1.00 0.21 C ATOM 1292 O LEU A 87 1.944 1.138 1.570 1.00 0.26 O ATOM 1293 CB LEU A 87 1.345 0.636 4.400 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.104 0.186 4.225 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.282 -1.233 4.731 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.045 1.131 4.946 1.00 0.45 C ATOM 0 H LEU A 87 3.771 1.406 3.782 1.00 0.20 H new ATOM 0 HA LEU A 87 2.330 -1.175 3.837 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.619 0.530 5.450 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.412 1.697 4.158 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.346 0.206 3.162 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.320 -1.539 4.599 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.368 -1.904 4.169 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.022 -1.277 5.789 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.073 0.795 4.810 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.805 1.143 6.009 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.935 2.136 4.538 1.00 0.45 H new ATOM 1308 N VAL A 88 1.816 -1.094 1.411 1.00 0.20 N ATOM 1309 CA VAL A 88 1.600 -1.071 -0.022 1.00 0.23 C ATOM 1310 C VAL A 88 0.342 -1.829 -0.418 1.00 0.24 C ATOM 1311 O VAL A 88 -0.153 -2.680 0.326 1.00 0.27 O ATOM 1312 CB VAL A 88 2.808 -1.654 -0.779 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.021 -0.745 -0.648 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.139 -3.052 -0.280 1.00 0.33 C ATOM 0 H VAL A 88 1.799 -2.023 1.831 1.00 0.20 H new ATOM 0 HA VAL A 88 1.475 -0.024 -0.300 1.00 0.23 H new ATOM 0 HB VAL A 88 2.540 -1.720 -1.833 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.861 -1.178 -1.191 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.788 0.235 -1.063 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.285 -0.640 0.404 1.00 0.31 H new ATOM 0 HG21 VAL A 88 3.995 -3.441 -0.830 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.378 -3.012 0.783 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.281 -3.706 -0.434 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.173 -1.498 -1.592 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.366 -2.132 -2.129 1.00 0.27 C ATOM 1326 C VAL A 89 -1.096 -2.633 -3.543 1.00 0.34 C ATOM 1327 O VAL A 89 -0.302 -2.038 -4.273 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.563 -1.151 -2.160 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.991 -0.775 -0.752 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.226 0.101 -2.960 1.00 0.30 C ATOM 0 H VAL A 89 0.225 -0.782 -2.199 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.619 -2.968 -1.477 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.393 -1.658 -2.651 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.833 -0.085 -0.800 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.288 -1.673 -0.210 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.159 -0.297 -0.234 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.085 0.772 -2.965 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.374 0.606 -2.504 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.978 -0.178 -3.984 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.744 -3.732 -3.919 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.596 -4.274 -5.265 1.00 0.51 C ATOM 1342 C ASP A 90 -2.594 -3.595 -6.192 1.00 0.48 C ATOM 1343 O ASP A 90 -3.415 -2.795 -5.736 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.808 -5.799 -5.277 1.00 0.68 C ATOM 1345 CG ASP A 90 -3.191 -6.209 -5.763 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -4.156 -6.113 -4.971 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -3.311 -6.658 -6.916 1.00 1.86 O ATOM 0 H ASP A 90 -2.373 -4.261 -3.315 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.581 -4.078 -5.612 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.054 -6.259 -5.916 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -1.653 -6.189 -4.271 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.532 -3.921 -7.476 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.409 -3.315 -8.468 1.00 0.61 C ATOM 1354 C ARG A 91 -4.881 -3.458 -8.076 1.00 0.55 C ATOM 1355 O ARG A 91 -5.623 -2.477 -8.071 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.190 -3.973 -9.829 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.875 -3.245 -10.977 1.00 0.82 C ATOM 1358 CD ARG A 91 -4.539 -4.222 -11.934 1.00 1.44 C ATOM 1359 NE ARG A 91 -5.823 -4.694 -11.413 1.00 2.25 N ATOM 1360 CZ ARG A 91 -6.124 -5.970 -11.189 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -5.235 -6.923 -11.424 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -7.323 -6.287 -10.720 1.00 4.16 N ATOM 0 H ARG A 91 -1.879 -4.606 -7.856 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.165 -2.254 -8.520 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.120 -4.025 -10.030 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.557 -4.999 -9.790 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.622 -2.557 -10.580 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.143 -2.644 -11.517 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.692 -3.740 -12.900 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.879 -5.073 -12.103 1.00 1.44 H new ATOM 0 HE ARG A 91 -6.537 -3.995 -11.207 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.310 -6.681 -11.780 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -5.475 -7.899 -11.249 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -8.008 -5.554 -10.533 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -7.561 -7.264 -10.546 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.291 -4.672 -7.708 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.700 -4.946 -7.453 1.00 0.61 C ATOM 1378 C GLU A 92 -7.142 -4.339 -6.127 1.00 0.51 C ATOM 1379 O GLU A 92 -8.259 -3.826 -6.014 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.976 -6.450 -7.482 1.00 0.74 C ATOM 1381 CG GLU A 92 -8.449 -6.782 -7.636 1.00 1.44 C ATOM 1382 CD GLU A 92 -8.685 -8.184 -8.156 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -8.030 -8.574 -9.144 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -9.500 -8.918 -7.548 1.00 2.68 O ATOM 0 H GLU A 92 -4.672 -5.473 -7.581 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.283 -4.480 -8.247 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.420 -6.900 -8.305 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.603 -6.900 -6.562 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -8.945 -6.669 -6.672 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.909 -6.065 -8.316 1.00 1.44 H new ATOM 1391 N THR A 93 -6.269 -4.391 -5.131 1.00 0.44 N ATOM 1392 CA THR A 93 -6.538 -3.752 -3.853 1.00 0.38 C ATOM 1393 C THR A 93 -6.723 -2.251 -4.044 1.00 0.33 C ATOM 1394 O THR A 93 -7.687 -1.664 -3.548 1.00 0.37 O ATOM 1395 CB THR A 93 -5.390 -3.984 -2.857 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.124 -5.385 -2.723 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.721 -3.404 -1.493 1.00 0.36 C ATOM 0 H THR A 93 -5.369 -4.869 -5.184 1.00 0.44 H new ATOM 0 HA THR A 93 -7.449 -4.195 -3.452 1.00 0.38 H new ATOM 0 HB THR A 93 -4.506 -3.479 -3.247 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.419 -5.646 -3.351 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.891 -3.583 -0.810 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.890 -2.331 -1.585 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.621 -3.881 -1.104 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.802 -1.642 -4.789 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.838 -0.204 -5.032 1.00 0.39 C ATOM 1407 C ASP A 94 -7.142 0.197 -5.701 1.00 0.43 C ATOM 1408 O ASP A 94 -7.817 1.117 -5.249 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.653 0.229 -5.901 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.688 1.710 -6.230 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.694 2.539 -5.295 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.705 2.056 -7.430 1.00 1.18 O ATOM 0 H ASP A 94 -5.021 -2.124 -5.235 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.769 0.300 -4.068 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.722 -0.004 -5.384 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.655 -0.346 -6.827 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.520 -0.534 -6.744 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.731 -0.225 -7.495 1.00 0.49 C ATOM 1419 C GLU A 95 -9.972 -0.404 -6.622 1.00 0.45 C ATOM 1420 O GLU A 95 -10.985 0.269 -6.824 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.823 -1.096 -8.750 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.613 -0.960 -9.662 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.729 -1.781 -10.928 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.825 -3.023 -10.826 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -7.749 -1.194 -12.030 1.00 1.23 O ATOM 0 H GLU A 95 -7.005 -1.344 -7.088 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.682 0.819 -7.805 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.931 -2.139 -8.454 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.721 -0.828 -9.306 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -7.481 0.089 -9.927 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -6.719 -1.266 -9.118 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.881 -1.298 -5.642 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.967 -1.508 -4.692 1.00 0.41 C ATOM 1434 C PHE A 96 -11.116 -0.294 -3.781 1.00 0.36 C ATOM 1435 O PHE A 96 -12.221 0.212 -3.577 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.719 -2.768 -3.856 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.747 -2.993 -2.778 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -13.022 -3.437 -3.093 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.434 -2.759 -1.447 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.963 -3.645 -2.102 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.371 -2.964 -0.453 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.638 -3.407 -0.780 1.00 0.72 C ATOM 0 H PHE A 96 -9.065 -1.889 -5.485 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.891 -1.643 -5.254 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.704 -3.634 -4.517 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.733 -2.700 -3.397 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.283 -3.622 -4.124 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.445 -2.412 -1.185 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.952 -3.993 -2.361 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.113 -2.778 0.579 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.373 -3.567 -0.005 1.00 0.72 H new ATOM 1452 N PHE A 97 -10.002 0.177 -3.238 1.00 0.32 N ATOM 1453 CA PHE A 97 -10.018 1.351 -2.372 1.00 0.32 C ATOM 1454 C PHE A 97 -10.429 2.607 -3.146 1.00 0.39 C ATOM 1455 O PHE A 97 -11.145 3.462 -2.618 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.664 1.542 -1.684 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.464 0.615 -0.511 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.056 -0.692 -0.715 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.668 1.050 0.788 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.856 -1.548 0.349 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.472 0.195 1.859 1.00 0.41 C ATOM 1462 CZ PHE A 97 -8.126 -1.084 1.666 1.00 0.35 C ATOM 0 H PHE A 97 -9.079 -0.233 -3.380 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.766 1.184 -1.597 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.867 1.378 -2.410 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.578 2.574 -1.344 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.892 -1.047 -1.722 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -8.983 2.067 0.967 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.500 -2.554 0.184 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.600 0.565 2.865 1.00 0.41 H new ATOM 0 HZ PHE A 97 -8.052 -1.759 2.506 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.992 2.701 -4.401 1.00 0.43 N ATOM 1473 CA LYS A 98 -10.323 3.843 -5.258 1.00 0.53 C ATOM 1474 C LYS A 98 -11.830 4.002 -5.429 1.00 0.56 C ATOM 1475 O LYS A 98 -12.375 5.095 -5.255 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.693 3.662 -6.639 1.00 0.63 C ATOM 1477 CG LYS A 98 -8.175 3.684 -6.632 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.607 3.345 -8.002 1.00 1.13 C ATOM 1479 CE LYS A 98 -7.769 4.492 -8.982 1.00 1.31 C ATOM 1480 NZ LYS A 98 -7.060 5.711 -8.513 1.00 1.92 N ATOM 0 H LYS A 98 -9.405 1.998 -4.850 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.929 4.736 -4.773 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -10.031 2.715 -7.060 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -10.055 4.451 -7.298 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.826 4.670 -6.326 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.803 2.971 -5.896 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -6.550 3.097 -7.905 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -8.108 2.460 -8.394 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -7.382 4.197 -9.957 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -8.828 4.713 -9.113 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -6.866 6.333 -9.323 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -7.654 6.215 -7.824 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.163 5.439 -8.062 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.498 2.907 -5.767 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.936 2.935 -6.011 1.00 0.63 C ATOM 1496 C LYS A 99 -14.714 3.135 -4.713 1.00 0.63 C ATOM 1497 O LYS A 99 -15.794 3.727 -4.713 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.401 1.646 -6.705 1.00 0.66 C ATOM 1499 CG LYS A 99 -14.064 0.375 -5.937 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.712 -0.858 -6.551 1.00 0.76 C ATOM 1501 CE LYS A 99 -16.230 -0.799 -6.477 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.852 -2.079 -6.900 1.00 2.04 N ATOM 0 H LYS A 99 -12.069 1.989 -5.879 1.00 0.55 H new ATOM 0 HA LYS A 99 -14.137 3.781 -6.669 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.480 1.694 -6.853 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.945 1.593 -7.694 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.982 0.242 -5.915 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.393 0.479 -4.903 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.403 -0.950 -7.592 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.358 -1.750 -6.034 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.536 -0.566 -5.457 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.594 0.009 -7.111 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.887 -2.000 -6.836 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -16.581 -2.289 -7.882 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.524 -2.846 -6.279 1.00 2.04 H new ATOM 1516 N CYS A 100 -14.154 2.663 -3.609 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.846 2.705 -2.330 1.00 0.60 C ATOM 1518 C CYS A 100 -14.640 4.048 -1.629 1.00 0.61 C ATOM 1519 O CYS A 100 -15.319 4.360 -0.650 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.374 1.553 -1.437 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.326 1.350 0.085 1.00 1.39 S ATOM 0 H CYS A 100 -13.223 2.247 -3.573 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.914 2.592 -2.519 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.421 0.625 -2.007 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.328 1.715 -1.178 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.796 2.503 0.460 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.703 4.841 -2.158 1.00 0.59 N ATOM 1528 CA ARG A 101 -13.389 6.164 -1.616 1.00 0.65 C ATOM 1529 C ARG A 101 -12.847 6.063 -0.195 1.00 0.64 C ATOM 1530 O ARG A 101 -13.219 6.842 0.681 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.615 7.086 -1.653 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.768 7.865 -2.951 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.972 6.960 -4.151 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.978 7.722 -5.399 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.412 7.254 -6.568 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -15.894 6.020 -6.659 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.368 8.028 -7.645 1.00 4.09 N ATOM 0 H ARG A 101 -13.143 4.584 -2.971 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.615 6.598 -2.249 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -15.512 6.487 -1.494 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -14.551 7.791 -0.824 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -15.615 8.545 -2.865 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.881 8.479 -3.109 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.180 6.212 -4.183 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.914 6.422 -4.047 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.625 8.679 -5.372 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -15.933 5.425 -5.831 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -16.225 5.667 -7.557 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -15.003 8.978 -7.576 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -15.699 7.673 -8.542 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.951 5.113 0.022 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.372 4.896 1.337 1.00 0.57 C ATOM 1553 C VAL A 102 -9.855 4.747 1.230 1.00 0.49 C ATOM 1554 O VAL A 102 -9.348 4.145 0.284 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.998 3.654 2.017 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.834 2.416 1.147 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.407 3.427 3.401 1.00 1.42 C ATOM 0 H VAL A 102 -11.608 4.478 -0.699 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.592 5.765 1.957 1.00 0.57 H new ATOM 0 HB VAL A 102 -13.065 3.844 2.137 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.282 1.558 1.647 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.329 2.576 0.189 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.774 2.226 0.981 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.866 2.548 3.853 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.332 3.271 3.316 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.599 4.299 4.026 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.138 5.327 2.183 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.680 5.298 2.179 1.00 0.50 C ATOM 1569 C ILE A 103 -7.159 4.029 2.852 1.00 0.43 C ATOM 1570 O ILE A 103 -7.569 3.688 3.966 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.094 6.544 2.893 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.542 7.823 2.178 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.573 6.474 2.952 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.038 9.098 2.825 1.00 1.33 C ATOM 0 H ILE A 103 -9.545 5.827 2.974 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.356 5.306 1.138 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.472 6.561 3.915 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.196 7.790 1.145 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.631 7.848 2.148 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.187 7.359 3.457 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.271 5.582 3.501 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.171 6.430 1.940 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.397 9.959 2.261 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.406 9.156 3.849 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -5.948 9.097 2.830 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.266 3.295 2.171 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.613 2.121 2.746 1.00 0.37 C ATOM 1588 C PRO A 104 -4.758 2.500 3.948 1.00 0.37 C ATOM 1589 O PRO A 104 -4.029 3.487 3.909 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.731 1.586 1.611 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.242 2.236 0.369 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.826 3.551 0.792 1.00 0.44 C ATOM 0 HA PRO A 104 -6.333 1.386 3.106 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.683 1.832 1.780 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.797 0.500 1.541 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.438 2.382 -0.353 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.995 1.613 -0.114 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.088 4.352 0.747 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.658 3.847 0.152 1.00 0.44 H new ATOM 1600 N SER A 105 -4.841 1.716 5.011 1.00 0.32 N ATOM 1601 CA SER A 105 -4.122 2.028 6.231 1.00 0.34 C ATOM 1602 C SER A 105 -3.892 0.757 7.036 1.00 0.34 C ATOM 1603 O SER A 105 -4.431 -0.300 6.681 1.00 0.33 O ATOM 1604 CB SER A 105 -4.896 3.062 7.063 1.00 0.43 C ATOM 1605 OG SER A 105 -4.098 3.593 8.109 1.00 1.42 O ATOM 0 H SER A 105 -5.398 0.862 5.052 1.00 0.32 H new ATOM 0 HA SER A 105 -3.155 2.458 5.970 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.234 3.871 6.416 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.787 2.597 7.484 1.00 0.43 H new ATOM 0 HG SER A 105 -3.158 3.602 7.831 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.116 0.861 8.105 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.791 -0.288 8.949 1.00 0.43 C ATOM 1613 C GLN A 106 -4.054 -0.980 9.463 1.00 0.45 C ATOM 1614 O GLN A 106 -4.075 -2.193 9.656 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.928 0.159 10.131 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.705 0.959 9.721 1.00 0.68 C ATOM 1617 CD GLN A 106 0.037 1.538 10.907 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.071 0.944 11.989 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.606 2.718 10.728 1.00 1.42 N ATOM 0 H GLN A 106 -2.694 1.737 8.414 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.237 -1.003 8.341 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.536 0.761 10.807 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.606 -0.721 10.689 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.030 0.319 9.153 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -1.010 1.768 9.058 1.00 0.68 H new ATOM 0 HE21 GLN A 106 0.555 3.176 9.818 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.096 3.170 11.500 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.109 -0.202 9.661 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.375 -0.729 10.159 1.00 0.51 C ATOM 1630 C GLU A 107 -6.949 -1.796 9.224 1.00 0.42 C ATOM 1631 O GLU A 107 -7.598 -2.739 9.668 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.377 0.410 10.314 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.844 1.576 11.128 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.802 2.744 11.156 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.696 2.762 12.024 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -7.669 3.643 10.299 1.00 2.82 O ATOM 0 H GLU A 107 -5.114 0.802 9.484 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.188 -1.196 11.126 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.665 0.768 9.325 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.280 0.027 10.790 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.649 1.245 12.148 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.891 1.901 10.711 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.689 -1.650 7.929 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.209 -2.568 6.924 1.00 0.37 C ATOM 1645 C HIS A 108 -6.377 -3.843 6.847 1.00 0.46 C ATOM 1646 O HIS A 108 -6.788 -4.819 6.225 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.272 -1.887 5.555 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.380 -0.884 5.440 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.166 0.476 5.394 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.722 -1.053 5.342 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.324 1.097 5.274 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.285 0.196 5.239 1.00 0.52 N ATOM 0 H HIS A 108 -6.116 -0.897 7.549 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.219 -2.848 7.223 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.321 -1.391 5.360 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.399 -2.648 4.785 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.250 -1.995 5.344 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.461 2.167 5.214 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.282 0.393 5.150 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.189 -3.814 7.450 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.315 -4.986 7.482 1.00 0.70 C ATOM 1663 C LEU A 109 -5.001 -6.155 8.177 1.00 0.79 C ATOM 1664 O LEU A 109 -5.203 -7.214 7.587 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.017 -4.665 8.225 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.156 -3.564 7.610 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.010 -3.212 8.542 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.621 -4.004 6.261 1.00 0.67 C ATOM 0 H LEU A 109 -4.810 -2.993 7.922 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.091 -5.259 6.451 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.266 -4.378 9.246 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.421 -5.575 8.286 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.774 -2.678 7.466 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.404 -2.426 8.092 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.409 -2.862 9.494 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.393 -4.095 8.710 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.009 -3.209 5.835 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.015 -4.901 6.385 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.454 -4.219 5.592 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.358 -5.945 9.436 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.959 -6.993 10.250 1.00 1.67 C ATOM 1682 C ASN A 110 -7.468 -6.807 10.361 1.00 1.44 C ATOM 1683 O ASN A 110 -8.182 -7.702 10.814 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.333 -7.003 11.650 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.460 -5.663 12.358 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -6.467 -5.383 13.005 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -4.427 -4.837 12.262 1.00 3.35 N ATOM 0 H ASN A 110 -5.241 -5.054 9.918 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.766 -7.948 9.762 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.812 -7.775 12.252 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.279 -7.269 11.571 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -4.451 -3.933 12.735 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.609 -5.105 11.715 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.946 -5.645 9.943 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.357 -5.340 10.056 1.00 1.12 C ATOM 1696 C GLY A 111 -10.135 -5.710 8.811 1.00 0.87 C ATOM 1697 O GLY A 111 -9.552 -6.145 7.817 1.00 0.93 O ATOM 0 H GLY A 111 -7.380 -4.906 9.526 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.773 -5.873 10.911 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.480 -4.275 10.254 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.464 -5.547 8.840 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.328 -5.878 7.709 1.00 0.93 C ATOM 1703 C PRO A 112 -12.293 -4.810 6.622 1.00 0.89 C ATOM 1704 O PRO A 112 -11.850 -3.681 6.849 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.718 -5.939 8.348 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.650 -4.987 9.489 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.229 -5.020 9.986 1.00 1.10 C ATOM 0 HA PRO A 112 -12.023 -6.799 7.213 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.493 -5.652 7.638 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.954 -6.948 8.687 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.928 -3.981 9.173 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.344 -5.276 10.278 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.884 -4.027 10.274 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.127 -5.660 10.862 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.756 -5.176 5.439 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.866 -4.234 4.341 1.00 0.58 C ATOM 1717 C LEU A 113 -14.230 -3.561 4.381 1.00 0.69 C ATOM 1718 O LEU A 113 -15.202 -4.146 4.863 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.664 -4.943 2.998 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.280 -5.562 2.783 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.166 -6.113 1.375 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.175 -4.544 3.053 1.00 1.05 C ATOM 0 H LEU A 113 -13.063 -6.123 5.215 1.00 0.62 H new ATOM 0 HA LEU A 113 -12.088 -3.478 4.447 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.413 -5.729 2.905 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.852 -4.228 2.197 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.159 -6.382 3.491 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.178 -6.550 1.234 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.927 -6.878 1.221 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.312 -5.307 0.656 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.203 -5.011 2.893 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.287 -3.697 2.376 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.245 -4.196 4.084 1.00 1.05 H new