USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 82 ASN : amide:sc= -0.0938 X(o=-2,f=-1.7) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -1.93 K(o=-2,f=-4.4!) USER MOD Set 2.1: A 51 HIS : no HE2:sc= -1.26 K(o=-0.024,f=-5!) USER MOD Set 2.2: A 80 THR OG1 : rot -96:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0272 (180deg=-0.185) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -58:sc= 0.295 USER MOD Single : A 38 GLN : amide:sc= -5.44! K(o=-5.4!,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0583 K(o=-0.058,f=-0.8) USER MOD Single : A 41 ASN : amide:sc= 0.261 K(o=0.26,f=-4.9!) USER MOD Single : A 42 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.247 USER MOD Single : A 46 THR OG1 : rot -13:sc= 0.0095 USER MOD Single : A 52 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.042) USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.16) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0739 K(o=-0.074,f=-0.74) USER MOD Single : A 74 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.69) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 95 MET CE :methyl 162:sc= -0.189 (180deg=-0.687) USER MOD Single : A 96 SER OG : rot -113:sc= 0.0363 USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.651) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 105 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 5.342 -8.364 -2.437 1.00 1.65 N ATOM 109 CA VAL A 29 4.771 -7.074 -2.053 1.00 1.29 C ATOM 110 C VAL A 29 4.529 -7.077 -0.556 1.00 1.04 C ATOM 111 O VAL A 29 3.715 -7.860 -0.060 1.00 1.10 O ATOM 112 CB VAL A 29 3.428 -6.791 -2.781 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.911 -5.394 -2.450 1.00 1.70 C ATOM 114 CG2 VAL A 29 3.573 -6.959 -4.287 1.00 1.82 C ATOM 0 HA VAL A 29 5.476 -6.293 -2.338 1.00 1.29 H new ATOM 0 HB VAL A 29 2.701 -7.521 -2.425 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.970 -5.221 -2.972 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.750 -5.311 -1.375 1.00 1.70 H new ATOM 0 HG13 VAL A 29 3.643 -4.651 -2.766 1.00 1.70 H new ATOM 0 HG21 VAL A 29 2.617 -6.755 -4.770 1.00 1.82 H new ATOM 0 HG22 VAL A 29 4.324 -6.263 -4.660 1.00 1.82 H new ATOM 0 HG23 VAL A 29 3.882 -7.980 -4.511 1.00 1.82 H new ATOM 124 N LYS A 30 5.265 -6.242 0.163 1.00 0.90 N ATOM 125 CA LYS A 30 5.186 -6.244 1.608 1.00 0.79 C ATOM 126 C LYS A 30 3.756 -6.061 2.095 1.00 0.63 C ATOM 127 O LYS A 30 3.058 -5.130 1.682 1.00 0.66 O ATOM 128 CB LYS A 30 6.087 -5.176 2.222 1.00 0.87 C ATOM 129 CG LYS A 30 7.572 -5.381 1.940 1.00 1.26 C ATOM 130 CD LYS A 30 8.400 -4.229 2.480 1.00 2.11 C ATOM 131 CE LYS A 30 9.895 -4.476 2.316 1.00 2.93 C ATOM 132 NZ LYS A 30 10.372 -5.651 3.093 1.00 3.71 N ATOM 0 H LYS A 30 5.916 -5.562 -0.230 1.00 0.90 H new ATOM 0 HA LYS A 30 5.537 -7.222 1.937 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.787 -4.199 1.842 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.931 -5.160 3.301 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.905 -6.315 2.393 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.731 -5.474 0.866 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.125 -3.310 1.962 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.170 -4.081 3.535 1.00 2.11 H new ATOM 0 HE2 LYS A 30 10.120 -4.628 1.260 1.00 2.93 H new ATOM 0 HE3 LYS A 30 10.443 -3.589 2.634 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 11.411 -5.646 3.127 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.994 -5.604 4.061 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 10.045 -6.526 2.636 1.00 3.71 H new ATOM 146 N TYR A 31 3.323 -6.958 2.963 1.00 0.56 N ATOM 147 CA TYR A 31 2.022 -6.849 3.589 1.00 0.49 C ATOM 148 C TYR A 31 2.163 -6.246 4.974 1.00 0.50 C ATOM 149 O TYR A 31 3.133 -6.515 5.681 1.00 0.64 O ATOM 150 CB TYR A 31 1.324 -8.209 3.689 1.00 0.56 C ATOM 151 CG TYR A 31 1.356 -9.022 2.410 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.686 -8.583 1.282 1.00 0.61 C ATOM 153 CD2 TYR A 31 2.074 -10.206 2.325 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.722 -9.303 0.103 1.00 0.75 C ATOM 155 CE2 TYR A 31 2.121 -10.933 1.148 1.00 0.94 C ATOM 156 CZ TYR A 31 1.386 -10.550 0.087 1.00 0.89 C ATOM 157 OH TYR A 31 1.492 -11.186 -1.136 1.00 1.06 O ATOM 0 H TYR A 31 3.860 -7.776 3.251 1.00 0.56 H new ATOM 0 HA TYR A 31 1.408 -6.201 2.964 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.793 -8.787 4.485 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.285 -8.051 3.979 1.00 0.56 H new ATOM 0 HD1 TYR A 31 0.125 -7.661 1.324 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.606 -10.567 3.193 1.00 0.81 H new ATOM 0 HE1 TYR A 31 0.251 -8.919 -0.790 1.00 0.75 H new ATOM 0 HE2 TYR A 31 2.749 -11.809 1.081 1.00 0.94 H new ATOM 0 HH TYR A 31 1.969 -12.035 -1.023 1.00 1.06 H new ATOM 167 N TYR A 32 1.219 -5.407 5.336 1.00 0.43 N ATOM 168 CA TYR A 32 1.142 -4.872 6.682 1.00 0.46 C ATOM 169 C TYR A 32 -0.100 -5.416 7.357 1.00 0.53 C ATOM 170 O TYR A 32 -0.702 -6.371 6.876 1.00 0.89 O ATOM 171 CB TYR A 32 1.099 -3.347 6.638 1.00 0.46 C ATOM 172 CG TYR A 32 2.293 -2.741 5.940 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.313 -2.586 4.561 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.401 -2.327 6.664 1.00 1.09 C ATOM 175 CE1 TYR A 32 3.407 -2.035 3.920 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.501 -1.774 6.031 1.00 1.20 C ATOM 177 CZ TYR A 32 4.496 -1.632 4.659 1.00 0.81 C ATOM 178 OH TYR A 32 5.589 -1.093 4.024 1.00 0.96 O ATOM 0 H TYR A 32 0.484 -5.076 4.711 1.00 0.43 H new ATOM 0 HA TYR A 32 2.023 -5.173 7.249 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.189 -3.030 6.129 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.046 -2.961 7.656 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.460 -2.901 3.979 1.00 0.98 H new ATOM 0 HD2 TYR A 32 3.406 -2.438 7.738 1.00 1.09 H new ATOM 0 HE1 TYR A 32 3.407 -1.921 2.846 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.357 -1.456 6.607 1.00 1.20 H new ATOM 0 HH TYR A 32 6.271 -0.859 4.688 1.00 0.96 H new ATOM 188 N THR A 33 -0.474 -4.852 8.472 1.00 0.48 N ATOM 189 CA THR A 33 -1.761 -5.177 9.056 1.00 0.57 C ATOM 190 C THR A 33 -2.675 -3.966 8.985 1.00 0.56 C ATOM 191 O THR A 33 -2.201 -2.835 9.021 1.00 0.60 O ATOM 192 CB THR A 33 -1.626 -5.644 10.517 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.975 -4.642 11.297 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.853 -6.956 10.599 1.00 0.82 C ATOM 0 H THR A 33 0.080 -4.173 8.994 1.00 0.48 H new ATOM 0 HA THR A 33 -2.189 -6.000 8.484 1.00 0.57 H new ATOM 0 HB THR A 33 -2.627 -5.810 10.915 1.00 0.72 H new ATOM 0 HG1 THR A 33 -0.096 -4.446 10.910 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.771 -7.265 11.641 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.379 -7.724 10.033 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.144 -6.817 10.182 1.00 0.82 H new ATOM 202 N LEU A 34 -3.980 -4.185 8.858 1.00 0.60 N ATOM 203 CA LEU A 34 -4.920 -3.075 8.942 1.00 0.64 C ATOM 204 C LEU A 34 -4.756 -2.436 10.324 1.00 0.58 C ATOM 205 O LEU A 34 -4.750 -1.218 10.512 1.00 0.59 O ATOM 206 CB LEU A 34 -6.358 -3.574 8.679 1.00 0.86 C ATOM 207 CG LEU A 34 -7.424 -2.481 8.489 1.00 1.02 C ATOM 208 CD1 LEU A 34 -8.637 -3.045 7.763 1.00 1.23 C ATOM 209 CD2 LEU A 34 -7.851 -1.893 9.825 1.00 1.46 C ATOM 0 H LEU A 34 -4.403 -5.100 8.700 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.718 -2.321 8.181 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.347 -4.202 7.788 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.660 -4.208 9.513 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.983 -1.686 7.888 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -9.382 -2.260 7.636 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -8.334 -3.420 6.785 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -9.064 -3.860 8.347 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -8.605 -1.123 9.659 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.268 -2.681 10.452 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -6.986 -1.453 10.322 1.00 1.46 H new ATOM 221 N GLU A 35 -4.571 -3.362 11.271 1.00 0.65 N ATOM 222 CA GLU A 35 -4.407 -3.100 12.698 1.00 0.77 C ATOM 223 C GLU A 35 -3.448 -1.954 12.980 1.00 0.73 C ATOM 224 O GLU A 35 -3.733 -1.095 13.809 1.00 0.88 O ATOM 225 CB GLU A 35 -3.886 -4.381 13.364 1.00 0.94 C ATOM 226 CG GLU A 35 -3.747 -4.290 14.880 1.00 1.41 C ATOM 227 CD GLU A 35 -3.284 -5.593 15.507 1.00 1.91 C ATOM 228 OE1 GLU A 35 -4.136 -6.476 15.746 1.00 2.56 O ATOM 229 OE2 GLU A 35 -2.071 -5.738 15.770 1.00 2.34 O ATOM 0 H GLU A 35 -4.530 -4.357 11.050 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.376 -2.806 13.102 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -4.560 -5.202 13.122 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.915 -4.629 12.936 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.038 -3.500 15.129 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -4.706 -4.005 15.312 1.00 1.41 H new ATOM 236 N GLU A 36 -2.294 -1.988 12.305 1.00 0.63 N ATOM 237 CA GLU A 36 -1.203 -1.064 12.561 1.00 0.74 C ATOM 238 C GLU A 36 -1.423 0.265 11.860 1.00 0.67 C ATOM 239 O GLU A 36 -0.941 1.305 12.296 1.00 0.82 O ATOM 240 CB GLU A 36 0.110 -1.680 12.086 1.00 0.85 C ATOM 241 CG GLU A 36 0.208 -1.821 10.574 1.00 0.95 C ATOM 242 CD GLU A 36 1.503 -2.444 10.127 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.490 -1.696 9.993 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.536 -3.674 9.918 1.00 1.67 O ATOM 0 H GLU A 36 -2.098 -2.662 11.565 1.00 0.63 H new ATOM 0 HA GLU A 36 -1.163 -0.878 13.634 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.938 -1.065 12.439 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.226 -2.663 12.542 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.624 -2.428 10.216 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.106 -0.838 10.115 1.00 0.95 H new ATOM 251 N ILE A 37 -2.132 0.197 10.744 1.00 0.52 N ATOM 252 CA ILE A 37 -2.423 1.362 9.919 1.00 0.50 C ATOM 253 C ILE A 37 -3.445 2.244 10.607 1.00 0.53 C ATOM 254 O ILE A 37 -3.516 3.441 10.358 1.00 0.72 O ATOM 255 CB ILE A 37 -2.926 0.938 8.527 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.872 0.055 7.876 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.231 2.148 7.645 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.248 -0.397 6.492 1.00 0.72 C ATOM 0 H ILE A 37 -2.524 -0.672 10.382 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.502 1.929 9.785 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.858 0.385 8.642 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.929 0.600 7.829 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.703 -0.820 8.503 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.583 1.809 6.671 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -4.001 2.758 8.117 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.326 2.742 7.517 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.454 -1.023 6.085 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.175 -0.969 6.535 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.389 0.473 5.851 1.00 0.72 H new ATOM 270 N GLN A 38 -4.215 1.640 11.494 1.00 0.48 N ATOM 271 CA GLN A 38 -5.101 2.384 12.379 1.00 0.52 C ATOM 272 C GLN A 38 -4.294 3.281 13.310 1.00 0.54 C ATOM 273 O GLN A 38 -4.807 4.249 13.859 1.00 0.64 O ATOM 274 CB GLN A 38 -5.930 1.418 13.209 1.00 0.56 C ATOM 275 CG GLN A 38 -6.976 0.637 12.419 1.00 0.78 C ATOM 276 CD GLN A 38 -8.181 1.475 11.999 1.00 0.72 C ATOM 277 OE1 GLN A 38 -9.297 0.977 11.954 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.970 2.730 11.644 1.00 0.74 N ATOM 0 H GLN A 38 -4.246 0.629 11.623 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.759 3.003 11.769 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.259 0.711 13.697 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -6.433 1.977 13.998 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.508 0.219 11.528 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.321 -0.203 13.022 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -7.029 3.122 11.691 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.748 3.307 11.323 1.00 0.74 H new ATOM 287 N LYS A 39 -3.024 2.921 13.494 1.00 0.54 N ATOM 288 CA LYS A 39 -2.113 3.646 14.375 1.00 0.62 C ATOM 289 C LYS A 39 -1.265 4.602 13.539 1.00 0.58 C ATOM 290 O LYS A 39 -0.586 5.481 14.057 1.00 0.66 O ATOM 291 CB LYS A 39 -1.202 2.651 15.105 1.00 0.77 C ATOM 292 CG LYS A 39 -0.608 3.195 16.394 1.00 1.28 C ATOM 293 CD LYS A 39 -1.637 3.257 17.509 1.00 1.57 C ATOM 294 CE LYS A 39 -1.985 1.870 18.003 1.00 2.08 C ATOM 295 NZ LYS A 39 -3.174 1.877 18.893 1.00 2.52 N ATOM 0 H LYS A 39 -2.598 2.116 13.034 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.685 4.212 15.110 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -1.771 1.749 15.330 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -0.392 2.358 14.438 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.226 2.565 16.704 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.205 4.192 16.216 1.00 1.28 H new ATOM 0 HD2 LYS A 39 -1.249 3.854 18.334 1.00 1.57 H new ATOM 0 HD3 LYS A 39 -2.537 3.756 17.151 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -2.175 1.219 17.150 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -1.133 1.452 18.540 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -3.377 0.907 19.208 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -2.985 2.478 19.721 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -3.994 2.251 18.374 1.00 2.52 H new ATOM 309 N HIS A 40 -1.302 4.397 12.230 1.00 0.53 N ATOM 310 CA HIS A 40 -0.530 5.195 11.286 1.00 0.56 C ATOM 311 C HIS A 40 -1.458 6.170 10.580 1.00 0.65 C ATOM 312 O HIS A 40 -1.392 6.377 9.365 1.00 0.93 O ATOM 313 CB HIS A 40 0.179 4.286 10.272 1.00 0.56 C ATOM 314 CG HIS A 40 1.232 3.395 10.873 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.292 2.038 10.638 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.289 3.678 11.671 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.337 1.526 11.258 1.00 1.59 C ATOM 318 NE2 HIS A 40 2.968 2.498 11.894 1.00 1.80 N ATOM 0 H HIS A 40 -1.869 3.672 11.791 1.00 0.53 H new ATOM 0 HA HIS A 40 0.234 5.756 11.824 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.566 3.665 9.775 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.640 4.907 9.504 1.00 0.56 H new ATOM 0 HD2 HIS A 40 2.552 4.650 12.061 1.00 1.39 H new ATOM 0 HE1 HIS A 40 2.629 0.486 11.248 1.00 1.59 H new ATOM 0 HE2 HIS A 40 3.814 2.393 12.455 1.00 1.80 H new ATOM 327 N ASN A 41 -2.338 6.743 11.382 1.00 0.56 N ATOM 328 CA ASN A 41 -3.424 7.592 10.906 1.00 0.64 C ATOM 329 C ASN A 41 -3.222 9.038 11.344 1.00 0.82 C ATOM 330 O ASN A 41 -4.153 9.833 11.301 1.00 1.20 O ATOM 331 CB ASN A 41 -4.738 7.083 11.505 1.00 0.69 C ATOM 332 CG ASN A 41 -4.796 7.260 13.013 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.770 7.223 13.700 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.995 7.462 13.536 1.00 1.74 N ATOM 0 H ASN A 41 -2.321 6.632 12.396 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.445 7.555 9.817 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.572 7.615 11.047 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.860 6.028 11.261 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.097 7.594 14.542 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.817 7.485 12.933 1.00 1.74 H new ATOM 341 N HIS A 42 -2.012 9.376 11.775 1.00 0.73 N ATOM 342 CA HIS A 42 -1.786 10.645 12.483 1.00 0.97 C ATOM 343 C HIS A 42 -0.508 11.338 12.018 1.00 1.06 C ATOM 344 O HIS A 42 0.253 10.753 11.271 1.00 1.54 O ATOM 345 CB HIS A 42 -1.729 10.406 14.004 1.00 1.05 C ATOM 346 CG HIS A 42 -0.661 9.437 14.451 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.541 9.258 13.780 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.619 8.589 15.507 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.259 8.352 14.404 1.00 0.87 C ATOM 350 NE2 HIS A 42 0.584 7.934 15.456 1.00 1.08 N ATOM 0 H HIS A 42 -1.178 8.802 11.652 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.624 11.301 12.249 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.565 11.361 14.502 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.699 10.035 14.336 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -1.390 8.454 16.251 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.238 8.008 14.105 1.00 0.87 H new ATOM 0 HE2 HIS A 42 0.905 7.235 16.125 1.00 1.08 H new ATOM 359 N SER A 43 -0.268 12.556 12.514 1.00 1.01 N ATOM 360 CA SER A 43 0.872 13.390 12.111 1.00 1.12 C ATOM 361 C SER A 43 2.139 12.568 11.813 1.00 0.97 C ATOM 362 O SER A 43 2.636 12.551 10.687 1.00 1.05 O ATOM 363 CB SER A 43 1.158 14.393 13.227 1.00 1.34 C ATOM 364 OG SER A 43 -0.045 14.798 13.866 1.00 2.00 O ATOM 0 H SER A 43 -0.865 12.996 13.214 1.00 1.01 H new ATOM 0 HA SER A 43 0.605 13.898 11.185 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.831 13.946 13.959 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.667 15.265 12.816 1.00 1.34 H new ATOM 0 HG SER A 43 0.162 15.439 14.578 1.00 2.00 H new ATOM 370 N LYS A 44 2.640 11.882 12.856 1.00 0.89 N ATOM 371 CA LYS A 44 3.943 11.183 12.814 1.00 0.89 C ATOM 372 C LYS A 44 4.053 10.135 11.706 1.00 0.77 C ATOM 373 O LYS A 44 5.162 9.743 11.334 1.00 0.94 O ATOM 374 CB LYS A 44 4.217 10.522 14.164 1.00 1.01 C ATOM 375 CG LYS A 44 4.562 11.526 15.247 1.00 1.53 C ATOM 376 CD LYS A 44 5.251 10.866 16.424 1.00 2.16 C ATOM 377 CE LYS A 44 6.554 10.211 16.001 1.00 2.63 C ATOM 378 NZ LYS A 44 7.358 9.794 17.171 1.00 3.26 N ATOM 0 H LYS A 44 2.157 11.795 13.750 1.00 0.89 H new ATOM 0 HA LYS A 44 4.688 11.947 12.592 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.340 9.951 14.469 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.038 9.813 14.057 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.209 12.299 14.833 1.00 1.53 H new ATOM 0 HG3 LYS A 44 3.652 12.020 15.588 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.449 11.609 17.197 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.591 10.118 16.863 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.340 9.343 15.378 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.131 10.907 15.392 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.241 9.351 16.845 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.583 10.627 17.752 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 6.817 9.111 17.739 1.00 3.26 H new ATOM 392 N SER A 45 2.914 9.674 11.210 1.00 0.63 N ATOM 393 CA SER A 45 2.862 8.676 10.148 1.00 0.62 C ATOM 394 C SER A 45 1.491 8.747 9.498 1.00 0.65 C ATOM 395 O SER A 45 0.498 8.413 10.150 1.00 1.05 O ATOM 396 CB SER A 45 3.097 7.256 10.681 1.00 0.65 C ATOM 397 OG SER A 45 4.243 7.185 11.519 1.00 1.31 O ATOM 0 H SER A 45 1.997 9.981 11.533 1.00 0.63 H new ATOM 0 HA SER A 45 3.653 8.891 9.430 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.219 6.928 11.238 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.217 6.569 9.843 1.00 0.65 H new ATOM 0 HG SER A 45 4.358 6.266 11.839 1.00 1.31 H new ATOM 403 N THR A 46 1.416 9.176 8.248 1.00 0.43 N ATOM 404 CA THR A 46 0.137 9.314 7.588 1.00 0.42 C ATOM 405 C THR A 46 -0.004 8.310 6.445 1.00 0.39 C ATOM 406 O THR A 46 0.477 8.542 5.331 1.00 0.47 O ATOM 407 CB THR A 46 -0.045 10.749 7.050 1.00 0.51 C ATOM 408 OG1 THR A 46 0.163 11.702 8.106 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.432 10.938 6.462 1.00 0.64 C ATOM 0 H THR A 46 2.222 9.432 7.677 1.00 0.43 H new ATOM 0 HA THR A 46 -0.640 9.110 8.325 1.00 0.42 H new ATOM 0 HB THR A 46 0.691 10.910 6.263 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.173 11.237 8.969 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.534 11.958 6.090 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.578 10.236 5.641 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.182 10.756 7.232 1.00 0.64 H new ATOM 417 N TRP A 47 -0.646 7.185 6.724 1.00 0.37 N ATOM 418 CA TRP A 47 -0.919 6.209 5.686 1.00 0.36 C ATOM 419 C TRP A 47 -2.392 6.211 5.319 1.00 0.37 C ATOM 420 O TRP A 47 -3.234 6.686 6.082 1.00 0.50 O ATOM 421 CB TRP A 47 -0.521 4.788 6.108 1.00 0.37 C ATOM 422 CG TRP A 47 0.946 4.585 6.329 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.944 5.493 6.140 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.575 3.379 6.776 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.154 4.935 6.463 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.954 3.635 6.850 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.103 2.110 7.124 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.866 2.667 7.260 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.007 1.148 7.530 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.379 1.432 7.598 1.00 0.47 C ATOM 0 H TRP A 47 -0.984 6.929 7.652 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.317 6.499 4.824 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -1.051 4.535 7.027 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.859 4.089 5.343 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.803 6.504 5.787 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.056 5.410 6.422 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.048 1.885 7.076 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.923 2.882 7.310 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.653 0.164 7.799 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.064 0.663 7.923 1.00 0.47 H new ATOM 441 N LEU A 48 -2.707 5.654 4.171 1.00 0.31 N ATOM 442 CA LEU A 48 -4.093 5.450 3.800 1.00 0.31 C ATOM 443 C LEU A 48 -4.245 4.156 3.013 1.00 0.28 C ATOM 444 O LEU A 48 -3.253 3.523 2.645 1.00 0.29 O ATOM 445 CB LEU A 48 -4.662 6.629 3.006 1.00 0.37 C ATOM 446 CG LEU A 48 -3.996 6.901 1.656 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.992 7.520 0.694 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.791 7.817 1.811 1.00 0.55 C ATOM 0 H LEU A 48 -2.028 5.335 3.480 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.667 5.378 4.724 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.724 6.451 2.837 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.582 7.528 3.618 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.652 5.948 1.255 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.505 7.708 -0.263 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.829 6.837 0.547 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.359 8.460 1.106 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.339 7.992 0.835 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.109 8.768 2.239 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.060 7.349 2.471 1.00 0.55 H new ATOM 460 N ILE A 49 -5.476 3.758 2.767 1.00 0.34 N ATOM 461 CA ILE A 49 -5.747 2.567 1.997 1.00 0.36 C ATOM 462 C ILE A 49 -6.724 2.878 0.880 1.00 0.42 C ATOM 463 O ILE A 49 -7.822 3.388 1.114 1.00 0.65 O ATOM 464 CB ILE A 49 -6.292 1.428 2.892 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.272 1.108 3.993 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.600 0.174 2.069 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.787 0.131 5.031 1.00 0.46 C ATOM 0 H ILE A 49 -6.309 4.248 3.093 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.808 2.226 1.562 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.225 1.761 3.347 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.372 0.698 3.535 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -4.983 2.034 4.490 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.981 -0.608 2.726 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.349 0.410 1.313 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.689 -0.174 1.581 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.013 -0.048 5.777 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.670 0.547 5.516 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.049 -0.810 4.547 1.00 0.46 H new ATOM 479 N LEU A 50 -6.293 2.617 -0.339 1.00 0.41 N ATOM 480 CA LEU A 50 -7.151 2.755 -1.498 1.00 0.53 C ATOM 481 C LEU A 50 -7.417 1.371 -2.076 1.00 0.78 C ATOM 482 O LEU A 50 -6.563 0.810 -2.775 1.00 1.77 O ATOM 483 CB LEU A 50 -6.500 3.653 -2.547 1.00 0.49 C ATOM 484 CG LEU A 50 -6.320 5.126 -2.138 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.764 5.929 -3.298 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.638 5.723 -1.665 1.00 0.99 C ATOM 0 H LEU A 50 -5.345 2.306 -0.552 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.092 3.218 -1.201 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.522 3.241 -2.796 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.102 3.617 -3.455 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.612 5.166 -1.310 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.642 6.969 -2.995 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.797 5.521 -3.593 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.453 5.875 -4.141 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.485 6.764 -1.382 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.371 5.670 -2.470 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.003 5.163 -0.804 1.00 0.99 H new ATOM 498 N HIS A 51 -8.581 0.816 -1.748 1.00 0.67 N ATOM 499 CA HIS A 51 -8.968 -0.539 -2.165 1.00 0.73 C ATOM 500 C HIS A 51 -8.196 -1.590 -1.373 1.00 0.82 C ATOM 501 O HIS A 51 -8.703 -2.144 -0.407 1.00 1.80 O ATOM 502 CB HIS A 51 -8.775 -0.767 -3.674 1.00 0.79 C ATOM 503 CG HIS A 51 -9.810 -0.107 -4.533 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.390 -0.729 -5.614 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.361 1.123 -4.466 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.258 0.091 -6.178 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.264 1.228 -5.504 1.00 2.30 N ATOM 0 H HIS A 51 -9.287 1.290 -1.185 1.00 0.67 H new ATOM 0 HA HIS A 51 -10.032 -0.640 -1.953 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.791 -0.398 -3.963 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.784 -1.839 -3.872 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -10.182 -1.676 -5.931 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -10.136 1.885 -3.734 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -11.862 -0.130 -7.045 1.00 2.45 H new ATOM 516 N HIS A 52 -6.962 -1.854 -1.771 1.00 0.46 N ATOM 517 CA HIS A 52 -6.158 -2.867 -1.099 1.00 0.42 C ATOM 518 C HIS A 52 -4.720 -2.400 -0.916 1.00 0.43 C ATOM 519 O HIS A 52 -3.959 -2.980 -0.136 1.00 0.81 O ATOM 520 CB HIS A 52 -6.184 -4.180 -1.884 1.00 0.58 C ATOM 521 CG HIS A 52 -7.404 -5.019 -1.631 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.044 -5.730 -2.622 1.00 1.75 N ATOM 523 CD2 HIS A 52 -8.085 -5.280 -0.486 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.060 -6.388 -2.103 1.00 2.34 C ATOM 525 NE2 HIS A 52 -9.106 -6.133 -0.808 1.00 2.36 N ATOM 0 H HIS A 52 -6.497 -1.387 -2.549 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.592 -3.033 -0.113 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.124 -3.956 -2.949 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.297 -4.761 -1.630 1.00 0.58 H new ATOM 0 HD2 HIS A 52 -7.863 -4.888 0.495 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -9.741 -7.028 -2.645 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -9.791 -6.511 -0.154 1.00 2.36 H new ATOM 534 N LYS A 53 -4.342 -1.363 -1.649 1.00 0.33 N ATOM 535 CA LYS A 53 -2.985 -0.853 -1.568 1.00 0.36 C ATOM 536 C LYS A 53 -2.855 0.117 -0.404 1.00 0.29 C ATOM 537 O LYS A 53 -3.697 1.004 -0.237 1.00 0.32 O ATOM 538 CB LYS A 53 -2.568 -0.146 -2.855 1.00 0.45 C ATOM 539 CG LYS A 53 -2.711 -0.981 -4.118 1.00 0.66 C ATOM 540 CD LYS A 53 -1.688 -2.101 -4.212 1.00 0.95 C ATOM 541 CE LYS A 53 -1.731 -2.754 -5.592 1.00 1.25 C ATOM 542 NZ LYS A 53 -0.788 -3.896 -5.713 1.00 1.76 N ATOM 0 H LYS A 53 -4.949 -0.864 -2.299 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.327 -1.709 -1.416 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.165 0.759 -2.965 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.529 0.168 -2.760 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -3.713 -1.409 -4.152 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -2.612 -0.332 -4.988 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -0.690 -1.706 -4.022 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.887 -2.848 -3.444 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -2.744 -3.101 -5.794 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -1.492 -2.008 -6.350 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.600 -4.086 -6.718 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 0.104 -3.662 -5.232 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.207 -4.740 -5.274 1.00 1.76 H new ATOM 556 N VAL A 54 -1.813 -0.041 0.388 1.00 0.27 N ATOM 557 CA VAL A 54 -1.527 0.907 1.452 1.00 0.25 C ATOM 558 C VAL A 54 -0.572 1.984 0.929 1.00 0.23 C ATOM 559 O VAL A 54 0.466 1.683 0.328 1.00 0.25 O ATOM 560 CB VAL A 54 -0.934 0.223 2.710 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.307 -0.573 2.369 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.625 1.264 3.781 1.00 0.32 C ATOM 0 H VAL A 54 -1.151 -0.814 0.317 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.470 1.362 1.757 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.678 -0.472 3.099 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.699 -1.040 3.272 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.056 -1.344 1.641 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.061 0.092 1.948 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.209 0.770 4.659 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.097 1.982 3.393 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.542 1.785 4.058 1.00 0.32 H new ATOM 572 N TYR A 55 -0.953 3.237 1.112 1.00 0.23 N ATOM 573 CA TYR A 55 -0.141 4.354 0.655 1.00 0.25 C ATOM 574 C TYR A 55 0.463 5.096 1.826 1.00 0.27 C ATOM 575 O TYR A 55 0.060 4.896 2.968 1.00 0.35 O ATOM 576 CB TYR A 55 -0.955 5.344 -0.176 1.00 0.27 C ATOM 577 CG TYR A 55 -1.481 4.800 -1.477 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.476 3.836 -1.495 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.997 5.264 -2.690 1.00 0.83 C ATOM 580 CE1 TYR A 55 -2.969 3.348 -2.679 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.496 4.784 -3.881 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.479 3.822 -3.868 1.00 0.42 C ATOM 583 OH TYR A 55 -2.985 3.344 -5.046 1.00 0.49 O ATOM 0 H TYR A 55 -1.821 3.507 1.575 1.00 0.23 H new ATOM 0 HA TYR A 55 0.648 3.931 0.034 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.797 5.691 0.422 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.334 6.214 -0.388 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.870 3.462 -0.562 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.218 6.012 -2.702 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.741 2.593 -2.674 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.117 5.161 -4.820 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.533 3.781 -5.798 1.00 0.49 H new ATOM 593 N ASP A 56 1.419 5.956 1.520 1.00 0.34 N ATOM 594 CA ASP A 56 1.988 6.879 2.494 1.00 0.38 C ATOM 595 C ASP A 56 2.109 8.254 1.864 1.00 0.38 C ATOM 596 O ASP A 56 2.192 8.362 0.640 1.00 0.48 O ATOM 597 CB ASP A 56 3.362 6.406 2.993 1.00 0.47 C ATOM 598 CG ASP A 56 4.078 7.456 3.826 1.00 0.63 C ATOM 599 OD1 ASP A 56 3.481 7.956 4.799 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.246 7.780 3.516 1.00 1.32 O ATOM 0 H ASP A 56 1.825 6.036 0.588 1.00 0.34 H new ATOM 0 HA ASP A 56 1.324 6.919 3.357 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.236 5.501 3.587 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.983 6.142 2.137 1.00 0.47 H new ATOM 605 N LEU A 57 2.106 9.299 2.669 1.00 0.37 N ATOM 606 CA LEU A 57 2.306 10.636 2.130 1.00 0.39 C ATOM 607 C LEU A 57 3.592 11.253 2.663 1.00 0.51 C ATOM 608 O LEU A 57 4.445 11.679 1.886 1.00 1.12 O ATOM 609 CB LEU A 57 1.125 11.562 2.422 1.00 0.45 C ATOM 610 CG LEU A 57 -0.239 11.086 1.910 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.296 12.129 2.212 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.201 10.792 0.411 1.00 1.27 C ATOM 0 H LEU A 57 1.970 9.255 3.679 1.00 0.37 H new ATOM 0 HA LEU A 57 2.384 10.527 1.048 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.057 11.704 3.501 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.336 12.538 1.984 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.489 10.158 2.425 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.263 11.784 1.845 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.352 12.289 3.289 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.034 13.065 1.719 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.184 10.457 0.081 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.074 11.697 -0.130 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.534 10.012 0.212 1.00 1.27 H new ATOM 624 N THR A 58 3.712 11.251 4.000 1.00 0.54 N ATOM 625 CA THR A 58 4.832 11.848 4.743 1.00 0.56 C ATOM 626 C THR A 58 5.293 13.201 4.193 1.00 0.66 C ATOM 627 O THR A 58 4.880 14.250 4.688 1.00 1.15 O ATOM 628 CB THR A 58 6.028 10.875 4.855 1.00 0.65 C ATOM 629 OG1 THR A 58 6.259 10.225 3.594 1.00 1.43 O ATOM 630 CG2 THR A 58 5.791 9.842 5.960 1.00 1.12 C ATOM 0 H THR A 58 3.015 10.823 4.609 1.00 0.54 H new ATOM 0 HA THR A 58 4.437 12.039 5.741 1.00 0.56 H new ATOM 0 HB THR A 58 6.916 11.450 5.119 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.701 9.422 3.533 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.647 9.169 6.019 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.665 10.353 6.915 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.893 9.268 5.734 1.00 1.12 H new ATOM 638 N LYS A 59 6.158 13.178 3.191 1.00 0.57 N ATOM 639 CA LYS A 59 6.650 14.400 2.571 1.00 0.58 C ATOM 640 C LYS A 59 5.498 15.162 1.908 1.00 0.48 C ATOM 641 O LYS A 59 5.442 16.392 1.925 1.00 0.54 O ATOM 642 CB LYS A 59 7.749 14.066 1.549 1.00 0.69 C ATOM 643 CG LYS A 59 7.293 13.131 0.440 1.00 1.37 C ATOM 644 CD LYS A 59 8.329 13.030 -0.668 1.00 1.96 C ATOM 645 CE LYS A 59 9.593 12.309 -0.231 1.00 2.58 C ATOM 646 NZ LYS A 59 9.405 10.838 -0.175 1.00 3.59 N ATOM 0 H LYS A 59 6.536 12.321 2.787 1.00 0.57 H new ATOM 0 HA LYS A 59 7.080 15.041 3.341 1.00 0.58 H new ATOM 0 HB2 LYS A 59 8.112 14.993 1.104 1.00 0.69 H new ATOM 0 HB3 LYS A 59 8.591 13.612 2.071 1.00 0.69 H new ATOM 0 HG2 LYS A 59 7.104 12.140 0.853 1.00 1.37 H new ATOM 0 HG3 LYS A 59 6.350 13.489 0.026 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.894 12.506 -1.519 1.00 1.96 H new ATOM 0 HD3 LYS A 59 8.588 14.032 -1.009 1.00 1.96 H new ATOM 0 HE2 LYS A 59 10.402 12.545 -0.923 1.00 2.58 H new ATOM 0 HE3 LYS A 59 9.897 12.673 0.751 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 10.291 10.386 0.127 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 8.651 10.610 0.504 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 9.141 10.486 -1.117 1.00 3.59 H new ATOM 660 N PHE A 60 4.575 14.382 1.331 1.00 0.40 N ATOM 661 CA PHE A 60 3.568 14.880 0.401 1.00 0.35 C ATOM 662 C PHE A 60 2.649 15.929 1.024 1.00 0.36 C ATOM 663 O PHE A 60 2.009 16.712 0.320 1.00 0.40 O ATOM 664 CB PHE A 60 2.747 13.706 -0.139 1.00 0.37 C ATOM 665 CG PHE A 60 2.023 14.007 -1.424 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.707 14.519 -2.516 1.00 1.62 C ATOM 667 CD2 PHE A 60 0.668 13.766 -1.546 1.00 1.40 C ATOM 668 CE1 PHE A 60 2.053 14.784 -3.701 1.00 2.01 C ATOM 669 CE2 PHE A 60 0.007 14.031 -2.735 1.00 1.72 C ATOM 670 CZ PHE A 60 0.703 14.542 -3.811 1.00 1.72 C ATOM 0 H PHE A 60 4.510 13.379 1.502 1.00 0.40 H new ATOM 0 HA PHE A 60 4.095 15.376 -0.414 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.409 12.855 -0.298 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.019 13.407 0.615 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.767 14.713 -2.438 1.00 1.62 H new ATOM 0 HD2 PHE A 60 0.118 13.367 -0.706 1.00 1.40 H new ATOM 0 HE1 PHE A 60 2.601 15.182 -4.543 1.00 2.01 H new ATOM 0 HE2 PHE A 60 -1.052 13.838 -2.819 1.00 1.72 H new ATOM 0 HZ PHE A 60 0.189 14.752 -4.738 1.00 1.72 H new ATOM 680 N LEU A 61 2.577 15.876 2.367 1.00 0.38 N ATOM 681 CA LEU A 61 1.627 16.653 3.166 1.00 0.44 C ATOM 682 C LEU A 61 1.735 18.141 2.876 1.00 0.47 C ATOM 683 O LEU A 61 0.810 18.909 3.140 1.00 0.60 O ATOM 684 CB LEU A 61 1.905 16.421 4.662 1.00 0.50 C ATOM 685 CG LEU A 61 1.810 14.973 5.169 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.126 14.917 6.657 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.421 14.411 4.908 1.00 0.61 C ATOM 0 H LEU A 61 3.187 15.283 2.929 1.00 0.38 H new ATOM 0 HA LEU A 61 0.623 16.321 2.903 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.905 16.793 4.883 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.205 17.028 5.236 1.00 0.50 H new ATOM 0 HG LEU A 61 2.538 14.367 4.630 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.056 13.887 7.005 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.136 15.290 6.829 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.413 15.534 7.204 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.369 13.385 5.272 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.321 15.018 5.427 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.218 14.426 3.837 1.00 0.61 H new ATOM 699 N GLU A 62 2.907 18.524 2.380 1.00 0.46 N ATOM 700 CA GLU A 62 3.268 19.915 2.155 1.00 0.55 C ATOM 701 C GLU A 62 2.826 20.381 0.769 1.00 0.53 C ATOM 702 O GLU A 62 2.775 21.578 0.481 1.00 0.72 O ATOM 703 CB GLU A 62 4.789 20.057 2.244 1.00 0.68 C ATOM 704 CG GLU A 62 5.418 19.425 3.476 1.00 0.99 C ATOM 705 CD GLU A 62 5.193 20.242 4.725 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.928 21.222 4.949 1.00 1.60 O ATOM 707 OE2 GLU A 62 4.266 19.903 5.491 1.00 1.62 O ATOM 0 H GLU A 62 3.642 17.866 2.120 1.00 0.46 H new ATOM 0 HA GLU A 62 2.771 20.523 2.911 1.00 0.55 H new ATOM 0 HB2 GLU A 62 5.234 19.609 1.356 1.00 0.68 H new ATOM 0 HB3 GLU A 62 5.042 21.117 2.227 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.004 18.427 3.619 1.00 0.99 H new ATOM 0 HG3 GLU A 62 6.489 19.306 3.312 1.00 0.99 H new ATOM 714 N GLU A 63 2.561 19.413 -0.096 1.00 0.42 N ATOM 715 CA GLU A 63 2.417 19.673 -1.525 1.00 0.48 C ATOM 716 C GLU A 63 0.994 19.404 -2.009 1.00 0.46 C ATOM 717 O GLU A 63 0.543 19.995 -2.996 1.00 0.66 O ATOM 718 CB GLU A 63 3.409 18.786 -2.278 1.00 0.59 C ATOM 719 CG GLU A 63 4.828 18.903 -1.733 1.00 1.05 C ATOM 720 CD GLU A 63 5.820 17.974 -2.408 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.904 16.794 -2.008 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.501 18.413 -3.359 1.00 1.83 O ATOM 0 H GLU A 63 2.440 18.435 0.166 1.00 0.42 H new ATOM 0 HA GLU A 63 2.625 20.726 -1.716 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.084 17.748 -2.215 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.405 19.057 -3.334 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.169 19.932 -1.851 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.816 18.692 -0.664 1.00 1.05 H new ATOM 729 N HIS A 64 0.300 18.505 -1.298 1.00 0.33 N ATOM 730 CA HIS A 64 -1.047 18.075 -1.667 1.00 0.32 C ATOM 731 C HIS A 64 -2.032 19.233 -1.512 1.00 0.42 C ATOM 732 O HIS A 64 -2.116 19.834 -0.438 1.00 0.52 O ATOM 733 CB HIS A 64 -1.458 16.875 -0.803 1.00 0.38 C ATOM 734 CG HIS A 64 -2.779 16.182 -1.096 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.865 16.212 -0.243 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.130 15.398 -2.180 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.848 15.466 -0.784 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.436 14.966 -1.954 1.00 0.36 N ATOM 0 H HIS A 64 0.659 18.059 -0.454 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.058 17.767 -2.713 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.669 16.127 -0.879 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.483 17.208 0.235 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.513 15.166 -3.035 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.819 15.298 -0.341 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.984 14.370 -2.575 1.00 0.36 H new ATOM 746 N PRO A 65 -2.786 19.547 -2.596 1.00 0.51 N ATOM 747 CA PRO A 65 -3.651 20.743 -2.673 1.00 0.73 C ATOM 748 C PRO A 65 -4.588 20.914 -1.478 1.00 0.90 C ATOM 749 O PRO A 65 -4.713 22.015 -0.938 1.00 1.46 O ATOM 750 CB PRO A 65 -4.479 20.499 -3.935 1.00 0.96 C ATOM 751 CG PRO A 65 -3.640 19.610 -4.784 1.00 0.81 C ATOM 752 CD PRO A 65 -2.858 18.745 -3.841 1.00 0.55 C ATOM 0 HA PRO A 65 -3.048 21.651 -2.682 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.433 20.030 -3.696 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.704 21.435 -4.446 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.260 19.004 -5.444 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.974 20.194 -5.419 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.354 17.789 -3.672 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.865 18.524 -4.232 1.00 0.55 H new ATOM 760 N GLY A 66 -5.240 19.830 -1.060 1.00 1.08 N ATOM 761 CA GLY A 66 -6.296 19.948 -0.076 1.00 1.38 C ATOM 762 C GLY A 66 -5.802 19.882 1.353 1.00 1.38 C ATOM 763 O GLY A 66 -6.354 19.149 2.159 1.00 2.03 O ATOM 0 H GLY A 66 -5.055 18.881 -1.384 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.819 20.892 -0.228 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -7.023 19.152 -0.238 1.00 1.38 H new ATOM 767 N GLY A 67 -4.775 20.666 1.658 1.00 1.25 N ATOM 768 CA GLY A 67 -4.227 20.732 3.007 1.00 1.70 C ATOM 769 C GLY A 67 -3.569 19.433 3.461 1.00 1.24 C ATOM 770 O GLY A 67 -3.259 18.558 2.646 1.00 1.66 O ATOM 0 H GLY A 67 -4.302 21.269 0.984 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -3.494 21.537 3.054 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.026 20.988 3.703 1.00 1.70 H new ATOM 774 N GLU A 68 -3.336 19.320 4.770 1.00 1.38 N ATOM 775 CA GLU A 68 -2.763 18.101 5.341 1.00 1.18 C ATOM 776 C GLU A 68 -3.635 17.543 6.464 1.00 0.94 C ATOM 777 O GLU A 68 -3.844 16.337 6.570 1.00 0.98 O ATOM 778 CB GLU A 68 -1.331 18.353 5.827 1.00 1.50 C ATOM 779 CG GLU A 68 -1.162 19.470 6.851 1.00 1.48 C ATOM 780 CD GLU A 68 -1.274 18.985 8.280 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.680 17.944 8.605 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.965 19.653 9.081 1.00 2.25 O ATOM 0 H GLU A 68 -3.534 20.053 5.451 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.729 17.348 4.553 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -0.947 17.429 6.259 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -0.709 18.583 4.962 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -0.190 19.942 6.709 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.917 20.236 6.673 1.00 1.48 H new ATOM 789 N GLU A 69 -4.151 18.467 7.286 1.00 0.91 N ATOM 790 CA GLU A 69 -4.861 18.134 8.524 1.00 0.84 C ATOM 791 C GLU A 69 -6.133 17.349 8.251 1.00 0.75 C ATOM 792 O GLU A 69 -6.599 16.596 9.098 1.00 0.78 O ATOM 793 CB GLU A 69 -5.194 19.407 9.307 1.00 0.97 C ATOM 794 CG GLU A 69 -6.106 20.368 8.571 1.00 1.64 C ATOM 795 CD GLU A 69 -6.442 21.592 9.391 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.583 22.489 9.502 1.00 2.63 O ATOM 797 OE2 GLU A 69 -7.569 21.657 9.925 1.00 2.27 O ATOM 0 H GLU A 69 -4.086 19.469 7.108 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.199 17.505 9.119 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.664 19.128 10.250 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -4.265 19.922 9.554 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.628 20.678 7.642 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.027 19.853 8.299 1.00 1.64 H new ATOM 804 N VAL A 70 -6.701 17.552 7.069 1.00 0.79 N ATOM 805 CA VAL A 70 -7.954 16.910 6.697 1.00 0.86 C ATOM 806 C VAL A 70 -7.718 15.541 6.065 1.00 0.82 C ATOM 807 O VAL A 70 -8.660 14.831 5.733 1.00 1.01 O ATOM 808 CB VAL A 70 -8.771 17.787 5.733 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.257 19.032 6.448 1.00 1.96 C ATOM 810 CG2 VAL A 70 -7.943 18.172 4.519 1.00 1.41 C ATOM 0 H VAL A 70 -6.311 18.160 6.349 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.521 16.776 7.618 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.632 17.212 5.392 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -9.834 19.646 5.757 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -9.886 18.745 7.291 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -8.401 19.601 6.811 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -8.542 18.792 3.852 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -7.063 18.730 4.841 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -7.629 17.271 3.992 1.00 1.41 H new ATOM 820 N LEU A 71 -6.453 15.186 5.891 1.00 0.72 N ATOM 821 CA LEU A 71 -6.090 13.858 5.414 1.00 0.74 C ATOM 822 C LEU A 71 -6.355 12.843 6.510 1.00 0.70 C ATOM 823 O LEU A 71 -6.962 11.801 6.290 1.00 0.77 O ATOM 824 CB LEU A 71 -4.613 13.821 4.989 1.00 0.84 C ATOM 825 CG LEU A 71 -4.315 14.289 3.556 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.894 13.317 2.539 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.860 15.692 3.307 1.00 1.69 C ATOM 0 H LEU A 71 -5.659 15.800 6.073 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.696 13.612 4.542 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.041 14.441 5.679 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.248 12.800 5.100 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.232 14.317 3.439 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.671 13.669 1.532 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -4.452 12.331 2.685 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -5.974 13.254 2.670 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.633 15.994 2.285 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.940 15.694 3.455 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -4.397 16.391 4.003 1.00 1.69 H new ATOM 839 N ARG A 72 -5.889 13.200 7.703 1.00 0.70 N ATOM 840 CA ARG A 72 -5.802 12.297 8.852 1.00 0.78 C ATOM 841 C ARG A 72 -7.132 11.644 9.214 1.00 0.92 C ATOM 842 O ARG A 72 -7.169 10.595 9.847 1.00 1.03 O ATOM 843 CB ARG A 72 -5.274 13.077 10.049 1.00 0.77 C ATOM 844 CG ARG A 72 -6.319 13.961 10.691 1.00 1.42 C ATOM 845 CD ARG A 72 -5.772 14.723 11.886 1.00 1.49 C ATOM 846 NE ARG A 72 -6.762 15.636 12.447 1.00 2.11 N ATOM 847 CZ ARG A 72 -6.504 16.894 12.796 1.00 2.48 C ATOM 848 NH1 ARG A 72 -5.273 17.387 12.649 1.00 2.24 N ATOM 849 NH2 ARG A 72 -7.485 17.651 13.286 1.00 3.47 N ATOM 0 H ARG A 72 -5.554 14.142 7.905 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.126 11.487 8.577 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -4.894 12.376 10.792 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -4.432 13.692 9.731 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -6.697 14.669 9.953 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -7.164 13.350 11.008 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -5.454 14.017 12.653 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.888 15.286 11.585 1.00 1.49 H new ATOM 0 HE ARG A 72 -7.712 15.288 12.580 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -4.530 16.800 12.269 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -5.074 18.351 12.916 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -8.423 17.265 13.391 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -7.298 18.616 13.556 1.00 3.47 H new ATOM 863 N GLU A 73 -8.208 12.325 8.830 1.00 1.13 N ATOM 864 CA GLU A 73 -9.576 11.883 9.089 1.00 1.55 C ATOM 865 C GLU A 73 -9.892 10.609 8.307 1.00 1.28 C ATOM 866 O GLU A 73 -10.640 9.748 8.770 1.00 1.60 O ATOM 867 CB GLU A 73 -10.536 13.004 8.678 1.00 1.97 C ATOM 868 CG GLU A 73 -12.010 12.680 8.885 1.00 2.63 C ATOM 869 CD GLU A 73 -12.420 12.723 10.341 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.066 11.798 11.098 1.00 3.65 O ATOM 871 OE2 GLU A 73 -13.113 13.685 10.735 1.00 3.55 O ATOM 0 H GLU A 73 -8.155 13.209 8.324 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.690 11.661 10.150 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.291 13.902 9.246 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.373 13.238 7.626 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.616 13.389 8.320 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.220 11.689 8.482 1.00 2.63 H new ATOM 878 N GLN A 74 -9.325 10.522 7.105 1.00 0.77 N ATOM 879 CA GLN A 74 -9.588 9.414 6.200 1.00 0.62 C ATOM 880 C GLN A 74 -8.385 8.476 6.191 1.00 0.56 C ATOM 881 O GLN A 74 -8.444 7.347 5.702 1.00 0.64 O ATOM 882 CB GLN A 74 -9.852 9.961 4.794 1.00 0.63 C ATOM 883 CG GLN A 74 -11.064 10.874 4.724 1.00 0.76 C ATOM 884 CD GLN A 74 -12.369 10.170 5.067 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.780 10.113 6.221 1.00 1.57 O ATOM 886 NE2 GLN A 74 -13.017 9.614 4.065 1.00 1.68 N ATOM 0 H GLN A 74 -8.674 11.216 6.736 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.465 8.859 6.532 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.973 10.508 4.453 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.994 9.126 4.107 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.920 11.711 5.408 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.138 11.292 3.720 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.646 9.681 3.117 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.891 9.116 4.236 1.00 1.68 H new ATOM 895 N ALA A 75 -7.281 8.994 6.721 1.00 0.55 N ATOM 896 CA ALA A 75 -6.030 8.258 6.800 1.00 0.58 C ATOM 897 C ALA A 75 -6.064 7.245 7.933 1.00 0.52 C ATOM 898 O ALA A 75 -6.673 7.478 8.970 1.00 0.70 O ATOM 899 CB ALA A 75 -4.865 9.227 6.977 1.00 0.70 C ATOM 0 H ALA A 75 -7.232 9.937 7.107 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.892 7.709 5.868 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.932 8.667 7.035 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.827 9.909 6.128 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.003 9.798 7.895 1.00 0.70 H new ATOM 905 N GLY A 76 -5.402 6.122 7.729 1.00 0.49 N ATOM 906 CA GLY A 76 -5.425 5.067 8.715 1.00 0.58 C ATOM 907 C GLY A 76 -6.290 3.906 8.291 1.00 0.48 C ATOM 908 O GLY A 76 -6.401 2.909 9.000 1.00 0.72 O ATOM 0 H GLY A 76 -4.848 5.921 6.897 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.409 4.715 8.891 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.793 5.465 9.661 1.00 0.58 H new ATOM 912 N GLY A 77 -6.908 4.038 7.129 1.00 0.42 N ATOM 913 CA GLY A 77 -7.718 2.973 6.597 1.00 0.52 C ATOM 914 C GLY A 77 -8.339 3.365 5.279 1.00 0.44 C ATOM 915 O GLY A 77 -7.670 3.974 4.437 1.00 0.78 O ATOM 0 H GLY A 77 -6.860 4.872 6.543 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.107 2.080 6.463 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.502 2.718 7.310 1.00 0.52 H new ATOM 919 N ASP A 78 -9.611 3.024 5.091 1.00 0.55 N ATOM 920 CA ASP A 78 -10.314 3.372 3.864 1.00 0.72 C ATOM 921 C ASP A 78 -10.459 4.866 3.729 1.00 0.67 C ATOM 922 O ASP A 78 -11.093 5.520 4.560 1.00 1.04 O ATOM 923 CB ASP A 78 -11.698 2.722 3.773 1.00 1.14 C ATOM 924 CG ASP A 78 -11.643 1.288 3.312 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.063 1.028 2.239 1.00 2.59 O ATOM 926 OD2 ASP A 78 -12.141 0.405 4.044 1.00 2.28 O ATOM 0 H ASP A 78 -10.172 2.510 5.770 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.705 2.986 3.047 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -12.180 2.766 4.750 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.319 3.296 3.085 1.00 1.14 H new ATOM 931 N ALA A 79 -9.876 5.396 2.679 1.00 0.54 N ATOM 932 CA ALA A 79 -10.072 6.791 2.331 1.00 0.58 C ATOM 933 C ALA A 79 -10.592 6.882 0.906 1.00 0.56 C ATOM 934 O ALA A 79 -10.829 7.966 0.383 1.00 0.67 O ATOM 935 CB ALA A 79 -8.756 7.557 2.476 1.00 0.73 C ATOM 0 H ALA A 79 -9.260 4.884 2.047 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.802 7.239 3.005 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -8.913 8.603 2.213 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.408 7.491 3.507 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.008 7.124 1.812 1.00 0.73 H new ATOM 941 N THR A 80 -10.825 5.708 0.317 1.00 0.54 N ATOM 942 CA THR A 80 -11.075 5.565 -1.112 1.00 0.60 C ATOM 943 C THR A 80 -12.358 6.275 -1.559 1.00 0.65 C ATOM 944 O THR A 80 -12.627 6.374 -2.751 1.00 0.84 O ATOM 945 CB THR A 80 -11.132 4.066 -1.505 1.00 0.66 C ATOM 946 OG1 THR A 80 -10.983 3.908 -2.918 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.443 3.433 -1.063 1.00 0.70 C ATOM 0 H THR A 80 -10.845 4.824 0.826 1.00 0.54 H new ATOM 0 HA THR A 80 -10.243 6.045 -1.628 1.00 0.60 H new ATOM 0 HB THR A 80 -10.309 3.563 -0.997 1.00 0.66 H new ATOM 0 HG1 THR A 80 -11.867 3.843 -3.335 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.455 2.382 -1.352 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.539 3.513 0.020 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.276 3.950 -1.540 1.00 0.70 H new ATOM 955 N GLU A 81 -13.133 6.779 -0.601 1.00 0.65 N ATOM 956 CA GLU A 81 -14.343 7.543 -0.900 1.00 0.79 C ATOM 957 C GLU A 81 -14.059 8.617 -1.947 1.00 0.85 C ATOM 958 O GLU A 81 -14.625 8.612 -3.030 1.00 0.98 O ATOM 959 CB GLU A 81 -14.877 8.196 0.377 1.00 0.91 C ATOM 960 CG GLU A 81 -15.098 7.217 1.520 1.00 1.54 C ATOM 961 CD GLU A 81 -15.973 6.048 1.128 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.211 6.178 1.194 1.00 2.27 O ATOM 963 OE2 GLU A 81 -15.421 5.001 0.744 1.00 2.27 O ATOM 0 H GLU A 81 -12.943 6.671 0.395 1.00 0.65 H new ATOM 0 HA GLU A 81 -15.092 6.858 -1.298 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.177 8.966 0.701 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -15.819 8.696 0.152 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -14.134 6.844 1.865 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -15.555 7.742 2.359 1.00 1.54 H new ATOM 970 N ASN A 82 -13.128 9.515 -1.607 1.00 0.82 N ATOM 971 CA ASN A 82 -12.834 10.703 -2.415 1.00 0.90 C ATOM 972 C ASN A 82 -12.246 10.327 -3.770 1.00 0.94 C ATOM 973 O ASN A 82 -12.291 11.096 -4.725 1.00 1.09 O ATOM 974 CB ASN A 82 -11.853 11.615 -1.670 1.00 0.93 C ATOM 975 CG ASN A 82 -10.431 11.108 -1.724 1.00 1.70 C ATOM 976 OD1 ASN A 82 -10.020 10.290 -0.907 1.00 2.41 O ATOM 977 ND2 ASN A 82 -9.670 11.609 -2.679 1.00 2.40 N ATOM 0 H ASN A 82 -12.558 9.439 -0.765 1.00 0.82 H new ATOM 0 HA ASN A 82 -13.774 11.229 -2.584 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -11.894 12.615 -2.101 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.164 11.703 -0.629 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -8.696 11.318 -2.760 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -10.056 12.287 -3.336 1.00 2.40 H new ATOM 984 N PHE A 83 -11.651 9.138 -3.802 1.00 0.85 N ATOM 985 CA PHE A 83 -10.923 8.628 -4.956 1.00 0.89 C ATOM 986 C PHE A 83 -11.874 8.129 -6.034 1.00 1.02 C ATOM 987 O PHE A 83 -11.527 8.112 -7.216 1.00 1.17 O ATOM 988 CB PHE A 83 -10.005 7.482 -4.497 1.00 0.81 C ATOM 989 CG PHE A 83 -9.187 6.853 -5.597 1.00 0.86 C ATOM 990 CD1 PHE A 83 -8.113 7.526 -6.146 1.00 0.97 C ATOM 991 CD2 PHE A 83 -9.490 5.587 -6.074 1.00 1.20 C ATOM 992 CE1 PHE A 83 -7.355 6.949 -7.147 1.00 1.06 C ATOM 993 CE2 PHE A 83 -8.738 5.007 -7.077 1.00 1.33 C ATOM 994 CZ PHE A 83 -7.669 5.688 -7.613 1.00 1.13 C ATOM 0 H PHE A 83 -11.662 8.492 -3.013 1.00 0.85 H new ATOM 0 HA PHE A 83 -10.332 9.437 -5.384 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -9.329 7.861 -3.731 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -10.616 6.710 -4.030 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -7.863 8.514 -5.789 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -10.326 5.047 -5.655 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -6.516 7.485 -7.565 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -8.988 4.021 -7.440 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.077 5.237 -8.396 1.00 1.13 H new ATOM 1004 N GLU A 84 -13.062 7.715 -5.608 1.00 1.00 N ATOM 1005 CA GLU A 84 -14.016 7.050 -6.489 1.00 1.14 C ATOM 1006 C GLU A 84 -15.316 7.838 -6.603 1.00 1.24 C ATOM 1007 O GLU A 84 -16.176 7.540 -7.432 1.00 1.46 O ATOM 1008 CB GLU A 84 -14.294 5.645 -5.950 1.00 1.20 C ATOM 1009 CG GLU A 84 -13.041 4.787 -5.863 1.00 1.33 C ATOM 1010 CD GLU A 84 -13.306 3.383 -5.363 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -13.588 2.497 -6.192 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -13.182 3.142 -4.149 1.00 2.30 O ATOM 0 H GLU A 84 -13.390 7.830 -4.649 1.00 1.00 H new ATOM 0 HA GLU A 84 -13.585 6.988 -7.488 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -14.744 5.723 -4.960 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -15.022 5.152 -6.594 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -12.578 4.732 -6.848 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -12.324 5.271 -5.200 1.00 1.33 H new ATOM 1019 N ASP A 85 -15.433 8.844 -5.731 1.00 1.18 N ATOM 1020 CA ASP A 85 -16.607 9.721 -5.663 1.00 1.34 C ATOM 1021 C ASP A 85 -16.534 10.832 -6.709 1.00 1.45 C ATOM 1022 O ASP A 85 -17.111 10.722 -7.782 1.00 1.90 O ATOM 1023 CB ASP A 85 -16.712 10.325 -4.252 1.00 1.35 C ATOM 1024 CG ASP A 85 -17.901 11.254 -4.058 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -18.988 10.777 -3.665 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -17.734 12.480 -4.239 1.00 1.81 O ATOM 0 H ASP A 85 -14.711 9.075 -5.048 1.00 1.18 H new ATOM 0 HA ASP A 85 -17.495 9.126 -5.875 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -16.776 9.515 -3.526 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -15.796 10.875 -4.035 1.00 1.35 H new ATOM 1031 N VAL A 86 -15.822 11.903 -6.388 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.710 13.052 -7.287 1.00 1.50 C ATOM 1033 C VAL A 86 -14.358 13.740 -7.148 1.00 1.26 C ATOM 1034 O VAL A 86 -13.721 14.074 -8.149 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.816 14.113 -7.034 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -16.543 15.376 -7.841 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -18.198 13.565 -7.370 1.00 2.64 C ATOM 0 H VAL A 86 -15.311 12.004 -5.511 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.825 12.647 -8.293 1.00 1.50 H new ATOM 0 HB VAL A 86 -16.798 14.361 -5.973 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.329 16.107 -7.650 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -15.580 15.794 -7.548 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -16.525 15.132 -8.903 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -18.949 14.332 -7.182 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -18.229 13.276 -8.421 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -18.405 12.694 -6.748 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.913 13.936 -5.906 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.727 14.739 -5.647 1.00 1.82 C ATOM 1049 C GLY A 87 -11.420 14.015 -5.929 1.00 1.46 C ATOM 1050 O GLY A 87 -10.597 13.861 -5.033 1.00 2.23 O ATOM 0 H GLY A 87 -14.356 13.551 -5.072 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.770 15.641 -6.257 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.737 15.058 -4.605 1.00 1.82 H new ATOM 1054 N HIS A 88 -11.258 13.559 -7.171 1.00 1.05 N ATOM 1055 CA HIS A 88 -10.003 12.986 -7.666 1.00 0.81 C ATOM 1056 C HIS A 88 -10.096 12.730 -9.166 1.00 0.89 C ATOM 1057 O HIS A 88 -10.936 11.954 -9.608 1.00 1.32 O ATOM 1058 CB HIS A 88 -9.640 11.679 -6.954 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.479 11.787 -6.012 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.769 10.689 -5.553 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.927 12.870 -5.401 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -6.832 11.123 -4.699 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.911 12.420 -4.584 1.00 0.48 N ATOM 0 H HIS A 88 -12.001 13.576 -7.870 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.218 13.713 -7.457 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -10.510 11.328 -6.399 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -9.414 10.922 -7.705 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -8.230 13.898 -5.532 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -6.120 10.495 -4.184 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.321 13.003 -3.990 1.00 0.48 H new ATOM 1071 N SER A 89 -9.250 13.371 -9.952 1.00 0.81 N ATOM 1072 CA SER A 89 -9.273 13.165 -11.394 1.00 1.00 C ATOM 1073 C SER A 89 -8.353 12.007 -11.798 1.00 1.00 C ATOM 1074 O SER A 89 -7.836 11.302 -10.928 1.00 1.43 O ATOM 1075 CB SER A 89 -8.895 14.450 -12.133 1.00 1.22 C ATOM 1076 OG SER A 89 -7.628 14.931 -11.721 1.00 1.06 O ATOM 0 H SER A 89 -8.545 14.032 -9.624 1.00 0.81 H new ATOM 0 HA SER A 89 -10.290 12.898 -11.681 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.883 14.264 -13.207 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.652 15.213 -11.950 1.00 1.22 H new ATOM 0 HG SER A 89 -7.414 15.752 -12.212 1.00 1.06 H new ATOM 1082 N THR A 90 -8.151 11.800 -13.094 1.00 1.14 N ATOM 1083 CA THR A 90 -7.297 10.716 -13.565 1.00 1.15 C ATOM 1084 C THR A 90 -5.854 10.915 -13.096 1.00 1.15 C ATOM 1085 O THR A 90 -5.116 9.948 -12.900 1.00 1.72 O ATOM 1086 CB THR A 90 -7.354 10.622 -15.096 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.723 10.709 -15.514 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.755 9.315 -15.597 1.00 1.49 C ATOM 0 H THR A 90 -8.565 12.366 -13.835 1.00 1.14 H new ATOM 0 HA THR A 90 -7.665 9.782 -13.142 1.00 1.15 H new ATOM 0 HB THR A 90 -6.771 11.442 -15.515 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.771 10.652 -16.491 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.812 9.282 -16.685 1.00 1.49 H new ATOM 0 HG22 THR A 90 -5.712 9.250 -15.286 1.00 1.49 H new ATOM 0 HG23 THR A 90 -7.311 8.476 -15.179 1.00 1.49 H new ATOM 1096 N ASP A 91 -5.492 12.180 -12.879 1.00 0.95 N ATOM 1097 CA ASP A 91 -4.155 12.567 -12.414 1.00 0.97 C ATOM 1098 C ASP A 91 -3.718 11.730 -11.209 1.00 0.89 C ATOM 1099 O ASP A 91 -2.714 11.021 -11.258 1.00 0.88 O ATOM 1100 CB ASP A 91 -4.149 14.055 -12.045 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.771 14.575 -11.675 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -2.316 14.325 -10.541 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -2.151 15.265 -12.517 1.00 1.90 O ATOM 0 H ASP A 91 -6.120 12.971 -13.021 1.00 0.95 H new ATOM 0 HA ASP A 91 -3.448 12.385 -13.223 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.534 14.632 -12.885 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -4.828 14.218 -11.208 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.508 11.776 -10.139 1.00 0.90 N ATOM 1109 CA ALA A 92 -4.137 11.130 -8.879 1.00 0.90 C ATOM 1110 C ALA A 92 -4.424 9.633 -8.901 1.00 0.82 C ATOM 1111 O ALA A 92 -4.276 8.947 -7.891 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.864 11.778 -7.720 1.00 0.97 C ATOM 0 H ALA A 92 -5.409 12.253 -10.118 1.00 0.90 H new ATOM 0 HA ALA A 92 -3.063 11.261 -8.751 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.578 11.286 -6.790 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.599 12.834 -7.669 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.940 11.681 -7.865 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.844 9.135 -10.049 1.00 0.75 N ATOM 1119 CA ARG A 93 -5.065 7.702 -10.233 1.00 0.73 C ATOM 1120 C ARG A 93 -3.829 7.093 -10.881 1.00 0.69 C ATOM 1121 O ARG A 93 -3.686 5.876 -10.991 1.00 0.81 O ATOM 1122 CB ARG A 93 -6.296 7.471 -11.111 1.00 0.82 C ATOM 1123 CG ARG A 93 -7.563 8.120 -10.577 1.00 1.64 C ATOM 1124 CD ARG A 93 -8.740 7.926 -11.520 1.00 1.70 C ATOM 1125 NE ARG A 93 -9.916 8.677 -11.070 1.00 2.71 N ATOM 1126 CZ ARG A 93 -10.989 8.943 -11.823 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -11.044 8.567 -13.097 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -12.008 9.614 -11.299 1.00 4.15 N ATOM 0 H ARG A 93 -5.041 9.700 -10.875 1.00 0.75 H new ATOM 0 HA ARG A 93 -5.240 7.227 -9.267 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -6.095 7.857 -12.110 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -6.463 6.399 -11.211 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -7.805 7.696 -9.602 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -7.390 9.186 -10.427 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -8.462 8.250 -12.523 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -8.986 6.866 -11.584 1.00 1.70 H new ATOM 0 HE ARG A 93 -9.916 9.023 -10.110 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -10.260 8.067 -13.515 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -11.871 8.779 -13.656 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -11.969 9.923 -10.328 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -12.829 9.820 -11.868 1.00 4.15 H new ATOM 1142 N GLU A 94 -2.938 8.000 -11.289 1.00 0.60 N ATOM 1143 CA GLU A 94 -1.724 7.684 -12.039 1.00 0.60 C ATOM 1144 C GLU A 94 -0.499 8.121 -11.243 1.00 0.58 C ATOM 1145 O GLU A 94 0.523 7.437 -11.191 1.00 0.74 O ATOM 1146 CB GLU A 94 -1.764 8.440 -13.369 1.00 0.68 C ATOM 1147 CG GLU A 94 -0.606 8.134 -14.293 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.742 6.794 -14.988 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -1.373 6.747 -16.058 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -0.232 5.781 -14.456 1.00 2.11 O ATOM 0 H GLU A 94 -3.045 8.997 -11.102 1.00 0.60 H new ATOM 0 HA GLU A 94 -1.666 6.610 -12.218 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -2.696 8.201 -13.882 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -1.778 9.511 -13.165 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -0.530 8.921 -15.044 1.00 1.19 H new ATOM 0 HG3 GLU A 94 0.322 8.148 -13.721 1.00 1.19 H new ATOM 1157 N MET A 95 -0.629 9.308 -10.661 1.00 0.48 N ATOM 1158 CA MET A 95 0.465 9.993 -9.982 1.00 0.49 C ATOM 1159 C MET A 95 0.832 9.338 -8.656 1.00 0.42 C ATOM 1160 O MET A 95 1.973 9.408 -8.210 1.00 0.50 O ATOM 1161 CB MET A 95 0.076 11.459 -9.740 1.00 0.53 C ATOM 1162 CG MET A 95 1.223 12.321 -9.229 1.00 0.65 C ATOM 1163 SD MET A 95 2.633 12.338 -10.360 1.00 1.09 S ATOM 1164 CE MET A 95 1.854 12.914 -11.868 1.00 1.75 C ATOM 0 H MET A 95 -1.507 9.828 -10.647 1.00 0.48 H new ATOM 0 HA MET A 95 1.341 9.930 -10.628 1.00 0.49 H new ATOM 0 HB2 MET A 95 -0.300 11.884 -10.671 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.742 11.495 -9.020 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.868 13.341 -9.080 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.546 11.951 -8.256 1.00 0.65 H new ATOM 0 HE1 MET A 95 2.617 13.280 -12.555 1.00 1.75 H new ATOM 0 HE2 MET A 95 1.310 12.092 -12.334 1.00 1.75 H new ATOM 0 HE3 MET A 95 1.160 13.721 -11.634 1.00 1.75 H new ATOM 1174 N SER A 96 -0.162 8.718 -8.024 1.00 0.34 N ATOM 1175 CA SER A 96 -0.039 8.249 -6.643 1.00 0.31 C ATOM 1176 C SER A 96 0.876 7.042 -6.515 1.00 0.31 C ATOM 1177 O SER A 96 1.219 6.623 -5.408 1.00 0.33 O ATOM 1178 CB SER A 96 -1.415 7.858 -6.112 1.00 0.36 C ATOM 1179 OG SER A 96 -2.015 6.874 -6.953 1.00 1.13 O ATOM 0 H SER A 96 -1.069 8.527 -8.449 1.00 0.34 H new ATOM 0 HA SER A 96 0.392 9.069 -6.069 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.323 7.470 -5.097 1.00 0.36 H new ATOM 0 HB3 SER A 96 -2.055 8.739 -6.060 1.00 0.36 H new ATOM 0 HG SER A 96 -2.796 7.260 -7.402 1.00 1.13 H new ATOM 1185 N LYS A 97 1.267 6.494 -7.645 1.00 0.36 N ATOM 1186 CA LYS A 97 1.891 5.180 -7.692 1.00 0.43 C ATOM 1187 C LYS A 97 3.243 5.147 -6.970 1.00 0.41 C ATOM 1188 O LYS A 97 3.691 4.099 -6.504 1.00 0.48 O ATOM 1189 CB LYS A 97 2.024 4.804 -9.153 1.00 0.56 C ATOM 1190 CG LYS A 97 0.673 4.634 -9.834 1.00 0.83 C ATOM 1191 CD LYS A 97 0.819 4.206 -11.279 1.00 1.15 C ATOM 1192 CE LYS A 97 -0.536 3.935 -11.913 1.00 1.56 C ATOM 1193 NZ LYS A 97 -1.349 3.001 -11.098 1.00 2.15 N ATOM 0 H LYS A 97 1.164 6.941 -8.556 1.00 0.36 H new ATOM 0 HA LYS A 97 1.272 4.455 -7.164 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.596 5.573 -9.673 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.589 3.876 -9.236 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.085 3.893 -9.293 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.122 5.573 -9.787 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.337 4.984 -11.841 1.00 1.15 H new ATOM 0 HD3 LYS A 97 1.435 3.309 -11.335 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -1.075 4.875 -12.034 1.00 1.56 H new ATOM 0 HE3 LYS A 97 -0.394 3.518 -12.910 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -2.091 2.578 -11.691 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 -0.738 2.249 -10.719 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -1.789 3.519 -10.311 1.00 2.15 H new ATOM 1207 N THR A 98 3.889 6.307 -6.864 1.00 0.40 N ATOM 1208 CA THR A 98 5.192 6.408 -6.211 1.00 0.46 C ATOM 1209 C THR A 98 5.050 6.470 -4.694 1.00 0.41 C ATOM 1210 O THR A 98 6.038 6.656 -3.974 1.00 0.48 O ATOM 1211 CB THR A 98 5.933 7.667 -6.691 1.00 0.59 C ATOM 1212 OG1 THR A 98 4.991 8.735 -6.827 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.641 7.444 -8.022 1.00 1.15 C ATOM 0 H THR A 98 3.530 7.192 -7.223 1.00 0.40 H new ATOM 0 HA THR A 98 5.760 5.516 -6.477 1.00 0.46 H new ATOM 0 HB THR A 98 6.695 7.913 -5.951 1.00 0.59 H new ATOM 0 HG1 THR A 98 5.454 9.543 -7.131 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.150 8.360 -8.321 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.371 6.641 -7.916 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.909 7.171 -8.782 1.00 1.15 H new ATOM 1221 N PHE A 99 3.813 6.338 -4.223 1.00 0.32 N ATOM 1222 CA PHE A 99 3.502 6.402 -2.799 1.00 0.32 C ATOM 1223 C PHE A 99 2.964 5.065 -2.293 1.00 0.30 C ATOM 1224 O PHE A 99 2.613 4.923 -1.116 1.00 0.31 O ATOM 1225 CB PHE A 99 2.484 7.511 -2.536 1.00 0.34 C ATOM 1226 CG PHE A 99 3.041 8.886 -2.742 1.00 0.36 C ATOM 1227 CD1 PHE A 99 4.002 9.394 -1.882 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.609 9.668 -3.796 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.519 10.664 -2.069 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.120 10.935 -3.990 1.00 0.81 C ATOM 1231 CZ PHE A 99 4.078 11.435 -3.130 1.00 0.47 C ATOM 0 H PHE A 99 2.999 6.184 -4.818 1.00 0.32 H new ATOM 0 HA PHE A 99 4.422 6.623 -2.259 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.626 7.371 -3.194 1.00 0.34 H new ATOM 0 HB3 PHE A 99 2.118 7.424 -1.513 1.00 0.34 H new ATOM 0 HD1 PHE A 99 4.351 8.792 -1.056 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.863 9.283 -4.476 1.00 0.77 H new ATOM 0 HE1 PHE A 99 5.264 11.052 -1.390 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.770 11.537 -4.816 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.482 12.425 -3.285 1.00 0.47 H new ATOM 1241 N ILE A 100 2.884 4.091 -3.199 1.00 0.32 N ATOM 1242 CA ILE A 100 2.383 2.765 -2.853 1.00 0.32 C ATOM 1243 C ILE A 100 3.490 1.937 -2.192 1.00 0.34 C ATOM 1244 O ILE A 100 4.412 1.474 -2.866 1.00 0.43 O ATOM 1245 CB ILE A 100 1.858 1.987 -4.088 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.787 2.787 -4.846 1.00 0.32 C ATOM 1247 CG2 ILE A 100 1.295 0.643 -3.640 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.256 2.072 -6.069 1.00 0.38 C ATOM 0 H ILE A 100 3.159 4.197 -4.175 1.00 0.32 H new ATOM 0 HA ILE A 100 1.551 2.917 -2.165 1.00 0.32 H new ATOM 0 HB ILE A 100 2.692 1.826 -4.772 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.042 3.001 -4.171 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.207 3.746 -5.149 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.926 0.096 -4.507 1.00 0.42 H new ATOM 0 HG22 ILE A 100 2.080 0.064 -3.153 1.00 0.42 H new ATOM 0 HG23 ILE A 100 0.476 0.807 -2.939 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.496 2.693 -6.556 1.00 0.38 H new ATOM 0 HD12 ILE A 100 1.074 1.882 -6.763 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.194 1.125 -5.770 1.00 0.38 H new ATOM 1260 N ILE A 101 3.398 1.750 -0.880 1.00 0.32 N ATOM 1261 CA ILE A 101 4.438 1.037 -0.137 1.00 0.35 C ATOM 1262 C ILE A 101 4.208 -0.471 -0.095 1.00 0.36 C ATOM 1263 O ILE A 101 5.159 -1.247 0.042 1.00 0.43 O ATOM 1264 CB ILE A 101 4.582 1.558 1.296 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.244 1.520 2.033 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.137 2.966 1.274 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.355 1.915 3.490 1.00 0.38 C ATOM 0 H ILE A 101 2.620 2.079 -0.309 1.00 0.32 H new ATOM 0 HA ILE A 101 5.360 1.230 -0.685 1.00 0.35 H new ATOM 0 HB ILE A 101 5.274 0.909 1.833 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.543 2.189 1.534 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.828 0.515 1.966 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.238 3.333 2.295 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.114 2.964 0.791 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.459 3.616 0.720 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.371 1.867 3.956 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.032 1.231 4.002 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.742 2.931 3.563 1.00 0.38 H new ATOM 1279 N GLY A 102 2.961 -0.894 -0.190 1.00 0.33 N ATOM 1280 CA GLY A 102 2.688 -2.312 -0.239 1.00 0.39 C ATOM 1281 C GLY A 102 1.203 -2.607 -0.219 1.00 0.35 C ATOM 1282 O GLY A 102 0.389 -1.795 -0.681 1.00 0.35 O ATOM 0 H GLY A 102 2.141 -0.290 -0.234 1.00 0.33 H new ATOM 0 HA2 GLY A 102 3.129 -2.735 -1.142 1.00 0.39 H new ATOM 0 HA3 GLY A 102 3.166 -2.802 0.609 1.00 0.39 H new ATOM 1286 N GLU A 103 0.845 -3.746 0.334 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.552 -4.132 0.436 1.00 0.42 C ATOM 1288 C GLU A 103 -0.887 -4.518 1.874 1.00 0.37 C ATOM 1289 O GLU A 103 -0.035 -4.446 2.761 1.00 0.39 O ATOM 1290 CB GLU A 103 -0.870 -5.290 -0.527 1.00 0.52 C ATOM 1291 CG GLU A 103 -0.760 -4.911 -1.996 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.143 -6.036 -2.927 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -0.987 -7.209 -2.527 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -1.615 -5.762 -4.045 1.00 1.85 O ATOM 0 H GLU A 103 1.501 -4.424 0.721 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.169 -3.280 0.152 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.191 -6.118 -0.323 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -1.880 -5.649 -0.328 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.400 -4.051 -2.192 1.00 0.74 H new ATOM 0 HG3 GLU A 103 0.263 -4.602 -2.210 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.125 -4.912 2.101 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.573 -5.313 3.424 1.00 0.42 C ATOM 1303 C LEU A 104 -2.337 -6.794 3.661 1.00 0.42 C ATOM 1304 O LEU A 104 -2.078 -7.547 2.718 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.053 -4.984 3.609 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.366 -3.500 3.522 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -5.853 -3.240 3.529 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -3.702 -2.762 4.659 1.00 1.33 C ATOM 0 H LEU A 104 -2.845 -4.964 1.381 1.00 0.40 H new ATOM 0 HA LEU A 104 -1.989 -4.754 4.155 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.631 -5.513 2.851 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.381 -5.359 4.579 1.00 0.51 H new ATOM 0 HG LEU A 104 -3.972 -3.133 2.574 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.035 -2.167 3.465 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.313 -3.737 2.675 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.286 -3.627 4.451 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -3.933 -1.699 4.587 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.070 -3.150 5.609 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -2.623 -2.903 4.603 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.420 -7.200 4.923 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.230 -8.602 5.305 1.00 0.53 C ATOM 1322 C HIS A 105 -3.161 -9.521 4.510 1.00 0.60 C ATOM 1323 O HIS A 105 -4.220 -9.082 4.051 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.497 -8.766 6.814 1.00 0.68 C ATOM 1325 CG HIS A 105 -2.001 -10.059 7.388 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -2.841 -11.044 7.847 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.739 -10.521 7.587 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -2.127 -12.056 8.309 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -0.851 -11.761 8.162 1.00 2.37 N ATOM 0 H HIS A 105 -2.619 -6.577 5.706 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.201 -8.884 5.080 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.026 -7.940 7.347 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.570 -8.690 6.992 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.179 -10.009 7.339 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -2.521 -12.967 8.734 1.00 2.41 H new ATOM 0 HE2 HIS A 105 -0.071 -12.360 8.433 1.00 2.37 H new ATOM 1338 N PRO A 106 -2.743 -10.790 4.286 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.625 -11.884 3.790 1.00 1.00 C ATOM 1340 C PRO A 106 -4.882 -12.100 4.659 1.00 1.18 C ATOM 1341 O PRO A 106 -5.215 -13.222 5.031 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.710 -13.112 3.881 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.341 -12.568 3.705 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.339 -11.246 4.413 1.00 0.79 C ATOM 0 HA PRO A 106 -4.014 -11.669 2.795 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.816 -13.616 4.842 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.949 -13.843 3.109 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.595 -13.240 4.128 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.100 -12.448 2.649 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.042 -11.349 5.457 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.645 -10.544 3.952 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.554 -10.998 4.951 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.698 -10.935 5.839 1.00 1.47 C ATOM 1354 C ASP A 107 -7.656 -9.883 5.286 1.00 1.22 C ATOM 1355 O ASP A 107 -8.872 -10.065 5.264 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.210 -10.561 7.240 1.00 1.90 C ATOM 1357 CG ASP A 107 -7.332 -10.452 8.248 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -8.059 -11.447 8.462 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -7.462 -9.381 8.863 1.00 3.31 O ATOM 0 H ASP A 107 -5.306 -10.089 4.560 1.00 1.16 H new ATOM 0 HA ASP A 107 -7.215 -11.892 5.903 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.494 -11.309 7.581 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -5.679 -9.610 7.192 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.065 -8.773 4.823 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.802 -7.744 4.095 1.00 1.11 C ATOM 1366 C ASP A 108 -7.676 -7.984 2.596 1.00 1.14 C ATOM 1367 O ASP A 108 -8.626 -7.789 1.836 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.250 -6.341 4.366 1.00 1.39 C ATOM 1369 CG ASP A 108 -8.215 -5.265 3.904 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -8.307 -5.033 2.684 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -8.888 -4.644 4.760 1.00 3.12 O ATOM 0 H ASP A 108 -6.073 -8.569 4.943 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.837 -7.803 4.432 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.057 -6.225 5.432 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.295 -6.219 3.854 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.470 -8.399 2.184 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.121 -8.525 0.774 1.00 1.18 C ATOM 1378 C ARG A 109 -7.148 -9.355 0.001 1.00 1.48 C ATOM 1379 O ARG A 109 -7.656 -8.890 -1.016 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.722 -9.118 0.608 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.898 -8.405 -0.452 1.00 1.45 C ATOM 1382 CD ARG A 109 -2.551 -9.069 -0.666 1.00 1.73 C ATOM 1383 NE ARG A 109 -2.671 -10.355 -1.357 1.00 2.25 N ATOM 1384 CZ ARG A 109 -2.102 -10.632 -2.533 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -1.390 -9.708 -3.172 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.249 -11.844 -3.060 1.00 3.35 N ATOM 0 H ARG A 109 -5.716 -8.654 2.821 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.127 -7.520 0.353 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.197 -9.070 1.562 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.809 -10.172 0.345 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -4.449 -8.392 -1.392 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.748 -7.367 -0.157 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -1.909 -8.406 -1.246 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -2.065 -9.220 0.298 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.225 -11.086 -0.911 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -1.275 -8.780 -2.764 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -0.958 -9.927 -4.070 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.792 -12.552 -2.567 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -1.818 -12.065 -3.958 1.00 3.35 H new