USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 816 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 88 ASN : amide:sc= 3.43 K(o=5.2,f=-3.2!) USER MOD Set 1.2: A 90 THR OG1 : rot -24:sc= 1.76 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -120:sc= 0.197 (180deg=0) USER MOD Set 2.2: A 79 ASN : amide:sc= 1.03 K(o=1.2,f=-2!) USER MOD Set 3.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 95 SER OG : rot 61:sc= 1.21 USER MOD Set 4.1: A 14 MET CE :methyl 164:sc= -1.43 (180deg=-1.43) USER MOD Set 4.2: A 41 CYS SG : rot 76:sc= -1.21 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -42:sc= 0.561 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00203 (180deg=-0.0635) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 37 SER OG : rot 3:sc= 0.455 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.5) USER MOD Single : A 44 TYR OH : rot -57:sc= 0.329 USER MOD Single : A 46 SER OG : rot 43:sc= 0.668 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.946 K(o=0.95,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -141:sc= 0.932 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 4:sc= 0.128 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.987 X(o=-0.99,f=-1) USER MOD Single : A 91 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.15) USER MOD Single : A 93 SER OG : rot -92:sc= 0.0777 USER MOD Single : A 97 THR OG1 : rot -131:sc= -2.01! USER MOD Single : A 99 CYS SG : rot 180:sc= -0.586 USER MOD Single : A 104 ASN : amide:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.584 K(o=0.58,f=-3.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -3.656 12.866 -1.043 1.00 65.50 N ATOM 165 CA MET A 14 -2.765 12.432 0.020 1.00 14.42 C ATOM 166 C MET A 14 -1.328 12.600 -0.466 1.00 44.24 C ATOM 167 O MET A 14 -0.895 11.864 -1.353 1.00 65.51 O ATOM 168 CB MET A 14 -3.036 10.978 0.449 1.00 30.42 C ATOM 169 CG MET A 14 -4.512 10.597 0.638 1.00 45.14 C ATOM 170 SD MET A 14 -4.785 8.877 1.154 1.00 30.12 S ATOM 171 CE MET A 14 -3.850 8.824 2.707 1.00 64.15 C ATOM 0 HA MET A 14 -2.940 13.046 0.904 1.00 14.42 H new ATOM 0 HB2 MET A 14 -2.602 10.313 -0.297 1.00 30.42 H new ATOM 0 HB3 MET A 14 -2.510 10.792 1.386 1.00 30.42 H new ATOM 0 HG2 MET A 14 -4.953 11.261 1.382 1.00 45.14 H new ATOM 0 HG3 MET A 14 -5.042 10.771 -0.299 1.00 45.14 H new ATOM 0 HE1 MET A 14 -4.146 7.945 3.280 1.00 64.15 H new ATOM 0 HE2 MET A 14 -2.783 8.772 2.488 1.00 64.15 H new ATOM 0 HE3 MET A 14 -4.058 9.723 3.288 1.00 64.15 H new ATOM 181 N LYS A 15 -0.582 13.578 0.067 1.00 31.21 N ATOM 182 CA LYS A 15 0.849 13.656 -0.265 1.00 72.10 C ATOM 183 C LYS A 15 1.653 12.793 0.690 1.00 45.03 C ATOM 184 O LYS A 15 1.376 12.775 1.895 1.00 11.33 O ATOM 185 CB LYS A 15 1.377 15.093 -0.387 1.00 11.04 C ATOM 186 CG LYS A 15 1.995 15.706 0.871 1.00 21.55 C ATOM 187 CD LYS A 15 2.306 17.187 0.643 1.00 54.21 C ATOM 188 CE LYS A 15 2.821 17.848 1.925 1.00 72.44 C ATOM 189 NZ LYS A 15 3.173 19.266 1.708 1.00 21.53 N ATOM 0 H LYS A 15 -0.925 14.298 0.703 1.00 31.21 H new ATOM 0 HA LYS A 15 0.977 13.250 -1.268 1.00 72.10 H new ATOM 0 HB2 LYS A 15 2.125 15.115 -1.179 1.00 11.04 H new ATOM 0 HB3 LYS A 15 0.554 15.732 -0.708 1.00 11.04 H new ATOM 0 HG2 LYS A 15 1.310 15.597 1.711 1.00 21.55 H new ATOM 0 HG3 LYS A 15 2.908 15.172 1.133 1.00 21.55 H new ATOM 0 HD2 LYS A 15 3.051 17.288 -0.146 1.00 54.21 H new ATOM 0 HD3 LYS A 15 1.408 17.701 0.301 1.00 54.21 H new ATOM 0 HE2 LYS A 15 2.059 17.777 2.702 1.00 72.44 H new ATOM 0 HE3 LYS A 15 3.696 17.308 2.286 1.00 72.44 H new ATOM 0 HZ1 LYS A 15 3.517 19.678 2.598 1.00 21.53 H new ATOM 0 HZ2 LYS A 15 3.918 19.332 0.985 1.00 21.53 H new ATOM 0 HZ3 LYS A 15 2.332 19.787 1.387 1.00 21.53 H new ATOM 203 N TRP A 16 2.707 12.167 0.175 1.00 63.34 N ATOM 204 CA TRP A 16 3.569 11.251 0.903 1.00 63.21 C ATOM 205 C TRP A 16 4.993 11.785 0.801 1.00 3.02 C ATOM 206 O TRP A 16 5.465 12.031 -0.306 1.00 14.01 O ATOM 207 CB TRP A 16 3.445 9.846 0.303 1.00 64.10 C ATOM 208 CG TRP A 16 2.046 9.321 0.200 1.00 51.30 C ATOM 209 CD1 TRP A 16 1.217 9.523 -0.848 1.00 71.50 C ATOM 210 CD2 TRP A 16 1.299 8.486 1.134 1.00 61.53 C ATOM 211 NE1 TRP A 16 0.006 8.906 -0.612 1.00 32.23 N ATOM 212 CE2 TRP A 16 0.004 8.235 0.591 1.00 70.42 C ATOM 213 CE3 TRP A 16 1.596 7.889 2.374 1.00 65.50 C ATOM 214 CZ2 TRP A 16 -0.938 7.423 1.240 1.00 12.41 C ATOM 215 CZ3 TRP A 16 0.662 7.068 3.035 1.00 50.12 C ATOM 216 CH2 TRP A 16 -0.606 6.840 2.474 1.00 73.21 C ATOM 0 H TRP A 16 2.992 12.291 -0.797 1.00 63.34 H new ATOM 0 HA TRP A 16 3.284 11.181 1.953 1.00 63.21 H new ATOM 0 HB2 TRP A 16 3.888 9.852 -0.693 1.00 64.10 H new ATOM 0 HB3 TRP A 16 4.032 9.156 0.909 1.00 64.10 H new ATOM 0 HD1 TRP A 16 1.465 10.084 -1.737 1.00 71.50 H new ATOM 0 HE1 TRP A 16 -0.789 8.942 -1.249 1.00 32.23 H new ATOM 0 HE3 TRP A 16 2.560 8.064 2.828 1.00 65.50 H new ATOM 0 HZ2 TRP A 16 -1.907 7.248 0.796 1.00 12.41 H new ATOM 0 HZ3 TRP A 16 0.922 6.611 3.978 1.00 50.12 H new ATOM 0 HH2 TRP A 16 -1.323 6.219 2.990 1.00 73.21 H new ATOM 227 N SER A 17 5.675 12.006 1.929 1.00 62.54 N ATOM 228 CA SER A 17 7.042 12.543 1.949 1.00 65.22 C ATOM 229 C SER A 17 8.081 11.480 2.312 1.00 52.03 C ATOM 230 O SER A 17 9.232 11.831 2.593 1.00 24.12 O ATOM 231 CB SER A 17 7.115 13.770 2.861 1.00 11.24 C ATOM 232 OG SER A 17 8.335 14.456 2.652 1.00 10.01 O ATOM 0 H SER A 17 5.295 11.818 2.857 1.00 62.54 H new ATOM 0 HA SER A 17 7.294 12.862 0.938 1.00 65.22 H new ATOM 0 HB2 SER A 17 6.275 14.435 2.658 1.00 11.24 H new ATOM 0 HB3 SER A 17 7.035 13.464 3.904 1.00 11.24 H new ATOM 0 HG SER A 17 9.066 13.808 2.577 1.00 10.01 H new ATOM 238 N LYS A 18 7.679 10.211 2.308 1.00 1.15 N ATOM 239 CA LYS A 18 8.553 9.061 2.204 1.00 53.03 C ATOM 240 C LYS A 18 7.802 8.085 1.326 1.00 34.53 C ATOM 241 O LYS A 18 6.654 7.796 1.664 1.00 42.04 O ATOM 242 CB LYS A 18 8.851 8.460 3.587 1.00 24.51 C ATOM 243 CG LYS A 18 10.347 8.329 3.832 1.00 61.12 C ATOM 244 CD LYS A 18 11.042 9.669 4.124 1.00 22.12 C ATOM 245 CE LYS A 18 11.771 10.229 2.899 1.00 10.35 C ATOM 246 NZ LYS A 18 12.386 11.531 3.208 1.00 41.31 N ATOM 0 H LYS A 18 6.695 9.953 2.380 1.00 1.15 H new ATOM 0 HA LYS A 18 9.525 9.321 1.785 1.00 53.03 H new ATOM 0 HB2 LYS A 18 8.409 9.089 4.360 1.00 24.51 H new ATOM 0 HB3 LYS A 18 8.382 7.479 3.667 1.00 24.51 H new ATOM 0 HG2 LYS A 18 10.512 7.653 4.671 1.00 61.12 H new ATOM 0 HG3 LYS A 18 10.811 7.871 2.958 1.00 61.12 H new ATOM 0 HD2 LYS A 18 10.301 10.393 4.465 1.00 22.12 H new ATOM 0 HD3 LYS A 18 11.755 9.536 4.938 1.00 22.12 H new ATOM 0 HE2 LYS A 18 12.539 9.527 2.574 1.00 10.35 H new ATOM 0 HE3 LYS A 18 11.070 10.340 2.072 1.00 10.35 H new ATOM 0 HZ1 LYS A 18 12.875 11.893 2.364 1.00 41.31 H new ATOM 0 HZ2 LYS A 18 11.647 12.204 3.496 1.00 41.31 H new ATOM 0 HZ3 LYS A 18 13.071 11.416 3.982 1.00 41.31 H new ATOM 260 N VAL A 19 8.407 7.621 0.240 1.00 43.04 N ATOM 261 CA VAL A 19 7.941 6.519 -0.592 1.00 70.53 C ATOM 262 C VAL A 19 9.185 5.768 -1.104 1.00 72.20 C ATOM 263 O VAL A 19 10.254 6.379 -1.238 1.00 14.05 O ATOM 264 CB VAL A 19 7.050 7.027 -1.753 1.00 70.54 C ATOM 265 CG1 VAL A 19 5.719 7.608 -1.260 1.00 31.12 C ATOM 266 CG2 VAL A 19 7.737 8.086 -2.624 1.00 61.53 C ATOM 0 H VAL A 19 9.280 8.023 -0.101 1.00 43.04 H new ATOM 0 HA VAL A 19 7.314 5.842 -0.012 1.00 70.53 H new ATOM 0 HB VAL A 19 6.864 6.138 -2.356 1.00 70.54 H new ATOM 0 HG11 VAL A 19 5.133 7.949 -2.113 1.00 31.12 H new ATOM 0 HG12 VAL A 19 5.164 6.840 -0.722 1.00 31.12 H new ATOM 0 HG13 VAL A 19 5.913 8.448 -0.594 1.00 31.12 H new ATOM 0 HG21 VAL A 19 7.059 8.399 -3.418 1.00 61.53 H new ATOM 0 HG22 VAL A 19 8.000 8.948 -2.010 1.00 61.53 H new ATOM 0 HG23 VAL A 19 8.641 7.665 -3.064 1.00 61.53 H new ATOM 276 N PRO A 20 9.084 4.466 -1.418 1.00 14.15 N ATOM 277 CA PRO A 20 10.114 3.728 -2.147 1.00 43.41 C ATOM 278 C PRO A 20 10.195 4.257 -3.592 1.00 13.41 C ATOM 279 O PRO A 20 9.225 4.826 -4.087 1.00 30.25 O ATOM 280 CB PRO A 20 9.638 2.265 -2.083 1.00 51.00 C ATOM 281 CG PRO A 20 8.121 2.391 -2.017 1.00 10.44 C ATOM 282 CD PRO A 20 7.918 3.636 -1.175 1.00 33.31 C ATOM 0 HA PRO A 20 11.116 3.834 -1.732 1.00 43.41 H new ATOM 0 HB2 PRO A 20 9.957 1.700 -2.959 1.00 51.00 H new ATOM 0 HB3 PRO A 20 10.037 1.750 -1.209 1.00 51.00 H new ATOM 0 HG2 PRO A 20 7.681 2.498 -3.009 1.00 10.44 H new ATOM 0 HG3 PRO A 20 7.663 1.515 -1.559 1.00 10.44 H new ATOM 0 HD2 PRO A 20 7.002 4.155 -1.457 1.00 33.31 H new ATOM 0 HD3 PRO A 20 7.829 3.384 -0.118 1.00 33.31 H new ATOM 290 N SER A 21 11.289 4.014 -4.323 1.00 24.33 N ATOM 291 CA SER A 21 11.337 4.299 -5.770 1.00 41.21 C ATOM 292 C SER A 21 10.725 3.193 -6.634 1.00 10.34 C ATOM 293 O SER A 21 10.483 3.401 -7.822 1.00 63.21 O ATOM 294 CB SER A 21 12.769 4.544 -6.221 1.00 70.43 C ATOM 295 OG SER A 21 13.233 5.739 -5.619 1.00 71.33 O ATOM 0 H SER A 21 12.151 3.623 -3.943 1.00 24.33 H new ATOM 0 HA SER A 21 10.732 5.195 -5.912 1.00 41.21 H new ATOM 0 HB2 SER A 21 13.404 3.705 -5.936 1.00 70.43 H new ATOM 0 HB3 SER A 21 12.815 4.625 -7.307 1.00 70.43 H new ATOM 0 HG SER A 21 14.156 5.909 -5.899 1.00 71.33 H new ATOM 301 N GLY A 22 10.460 2.023 -6.046 1.00 44.30 N ATOM 302 CA GLY A 22 9.668 0.988 -6.695 1.00 32.44 C ATOM 303 C GLY A 22 8.258 1.488 -7.017 1.00 62.10 C ATOM 304 O GLY A 22 7.658 1.024 -7.982 1.00 64.23 O ATOM 0 H GLY A 22 10.788 1.773 -5.113 1.00 44.30 H new ATOM 0 HA2 GLY A 22 10.162 0.671 -7.613 1.00 32.44 H new ATOM 0 HA3 GLY A 22 9.607 0.114 -6.047 1.00 32.44 H new ATOM 308 N LEU A 23 7.742 2.428 -6.214 1.00 61.11 N ATOM 309 CA LEU A 23 6.552 3.217 -6.482 1.00 25.52 C ATOM 310 C LEU A 23 6.753 4.013 -7.765 1.00 34.51 C ATOM 311 O LEU A 23 7.589 4.910 -7.843 1.00 33.23 O ATOM 312 CB LEU A 23 6.236 4.115 -5.276 1.00 71.24 C ATOM 313 CG LEU A 23 4.973 4.974 -5.477 1.00 22.25 C ATOM 314 CD1 LEU A 23 4.064 4.870 -4.259 1.00 63.54 C ATOM 315 CD2 LEU A 23 5.323 6.450 -5.701 1.00 53.21 C ATOM 0 H LEU A 23 8.171 2.663 -5.319 1.00 61.11 H new ATOM 0 HA LEU A 23 5.691 2.565 -6.629 1.00 25.52 H new ATOM 0 HB2 LEU A 23 6.108 3.492 -4.391 1.00 71.24 H new ATOM 0 HB3 LEU A 23 7.087 4.769 -5.085 1.00 71.24 H new ATOM 0 HG LEU A 23 4.463 4.594 -6.362 1.00 22.25 H new ATOM 0 HD11 LEU A 23 3.176 5.482 -4.415 1.00 63.54 H new ATOM 0 HD12 LEU A 23 3.768 3.831 -4.113 1.00 63.54 H new ATOM 0 HD13 LEU A 23 4.597 5.223 -3.376 1.00 63.54 H new ATOM 0 HD21 LEU A 23 4.407 7.024 -5.839 1.00 53.21 H new ATOM 0 HD22 LEU A 23 5.863 6.831 -4.835 1.00 53.21 H new ATOM 0 HD23 LEU A 23 5.948 6.545 -6.589 1.00 53.21 H new ATOM 327 N LYS A 24 5.955 3.640 -8.755 1.00 10.21 N ATOM 328 CA LYS A 24 5.646 4.401 -9.954 1.00 5.24 C ATOM 329 C LYS A 24 4.507 5.353 -9.620 1.00 2.31 C ATOM 330 O LYS A 24 4.238 5.677 -8.469 1.00 32.23 O ATOM 331 CB LYS A 24 5.319 3.411 -11.083 1.00 62.20 C ATOM 332 CG LYS A 24 6.409 2.353 -11.311 1.00 51.32 C ATOM 333 CD LYS A 24 6.033 1.487 -12.514 1.00 4.34 C ATOM 334 CE LYS A 24 7.181 0.525 -12.806 1.00 23.30 C ATOM 335 NZ LYS A 24 6.946 -0.237 -14.043 1.00 64.54 N ATOM 0 H LYS A 24 5.476 2.740 -8.740 1.00 10.21 H new ATOM 0 HA LYS A 24 6.483 5.007 -10.300 1.00 5.24 H new ATOM 0 HB2 LYS A 24 4.380 2.908 -10.853 1.00 62.20 H new ATOM 0 HB3 LYS A 24 5.165 3.966 -12.008 1.00 62.20 H new ATOM 0 HG2 LYS A 24 7.370 2.837 -11.484 1.00 51.32 H new ATOM 0 HG3 LYS A 24 6.520 1.732 -10.422 1.00 51.32 H new ATOM 0 HD2 LYS A 24 5.118 0.931 -12.308 1.00 4.34 H new ATOM 0 HD3 LYS A 24 5.836 2.114 -13.383 1.00 4.34 H new ATOM 0 HE2 LYS A 24 8.112 1.085 -12.894 1.00 23.30 H new ATOM 0 HE3 LYS A 24 7.301 -0.164 -11.970 1.00 23.30 H new ATOM 0 HZ1 LYS A 24 7.745 -0.881 -14.211 1.00 64.54 H new ATOM 0 HZ2 LYS A 24 6.070 -0.790 -13.949 1.00 64.54 H new ATOM 0 HZ3 LYS A 24 6.856 0.420 -14.844 1.00 64.54 H new ATOM 349 N ASN A 25 3.761 5.723 -10.643 1.00 70.44 N ATOM 350 CA ASN A 25 2.428 6.310 -10.632 1.00 53.21 C ATOM 351 C ASN A 25 1.365 5.520 -9.826 1.00 11.03 C ATOM 352 O ASN A 25 0.172 5.658 -10.069 1.00 65.21 O ATOM 353 CB ASN A 25 2.064 6.371 -12.116 1.00 5.13 C ATOM 354 CG ASN A 25 0.859 7.244 -12.441 1.00 54.41 C ATOM 355 OD1 ASN A 25 -0.078 6.757 -13.068 1.00 64.11 O ATOM 356 ND2 ASN A 25 0.866 8.517 -12.073 1.00 2.04 N ATOM 0 H ASN A 25 4.104 5.610 -11.597 1.00 70.44 H new ATOM 0 HA ASN A 25 2.437 7.275 -10.125 1.00 53.21 H new ATOM 0 HB2 ASN A 25 2.925 6.742 -12.672 1.00 5.13 H new ATOM 0 HB3 ASN A 25 1.868 5.359 -12.470 1.00 5.13 H new ATOM 0 HD21 ASN A 25 0.079 9.121 -12.310 1.00 2.04 H new ATOM 0 HD22 ASN A 25 1.659 8.893 -11.553 1.00 2.04 H new ATOM 363 N GLY A 26 1.756 4.658 -8.883 1.00 64.52 N ATOM 364 CA GLY A 26 0.891 3.889 -8.001 1.00 72.13 C ATOM 365 C GLY A 26 0.953 2.388 -8.254 1.00 45.25 C ATOM 366 O GLY A 26 0.048 1.666 -7.843 1.00 51.04 O ATOM 0 H GLY A 26 2.744 4.472 -8.709 1.00 64.52 H new ATOM 0 HA2 GLY A 26 1.170 4.088 -6.966 1.00 72.13 H new ATOM 0 HA3 GLY A 26 -0.137 4.229 -8.125 1.00 72.13 H new ATOM 370 N GLU A 27 1.957 1.895 -8.981 1.00 34.22 N ATOM 371 CA GLU A 27 2.250 0.462 -9.038 1.00 43.31 C ATOM 372 C GLU A 27 3.653 0.261 -8.460 1.00 25.52 C ATOM 373 O GLU A 27 4.504 1.138 -8.617 1.00 63.42 O ATOM 374 CB GLU A 27 2.155 -0.058 -10.483 1.00 1.04 C ATOM 375 CG GLU A 27 1.973 -1.586 -10.549 1.00 11.03 C ATOM 376 CD GLU A 27 2.278 -2.186 -11.926 1.00 72.12 C ATOM 377 OE1 GLU A 27 3.207 -1.706 -12.611 1.00 45.42 O ATOM 378 OE2 GLU A 27 1.660 -3.213 -12.302 1.00 22.11 O ATOM 0 H GLU A 27 2.584 2.471 -9.542 1.00 34.22 H new ATOM 0 HA GLU A 27 1.522 -0.105 -8.457 1.00 43.31 H new ATOM 0 HB2 GLU A 27 1.318 0.426 -10.986 1.00 1.04 H new ATOM 0 HB3 GLU A 27 3.058 0.221 -11.026 1.00 1.04 H new ATOM 0 HG2 GLU A 27 2.622 -2.052 -9.808 1.00 11.03 H new ATOM 0 HG3 GLU A 27 0.947 -1.833 -10.275 1.00 11.03 H new ATOM 385 N LEU A 28 3.898 -0.874 -7.800 1.00 52.15 N ATOM 386 CA LEU A 28 5.158 -1.244 -7.171 1.00 14.34 C ATOM 387 C LEU A 28 5.586 -2.601 -7.708 1.00 51.04 C ATOM 388 O LEU A 28 4.938 -3.620 -7.446 1.00 74.32 O ATOM 389 CB LEU A 28 5.050 -1.268 -5.635 1.00 53.33 C ATOM 390 CG LEU A 28 5.121 0.141 -5.021 1.00 30.42 C ATOM 391 CD1 LEU A 28 3.783 0.893 -5.084 1.00 1.02 C ATOM 392 CD2 LEU A 28 5.612 0.104 -3.573 1.00 12.30 C ATOM 0 H LEU A 28 3.183 -1.593 -7.687 1.00 52.15 H new ATOM 0 HA LEU A 28 5.909 -0.493 -7.415 1.00 14.34 H new ATOM 0 HB2 LEU A 28 4.111 -1.740 -5.347 1.00 53.33 H new ATOM 0 HB3 LEU A 28 5.854 -1.881 -5.226 1.00 53.33 H new ATOM 0 HG LEU A 28 5.841 0.685 -5.633 1.00 30.42 H new ATOM 0 HD11 LEU A 28 3.899 1.880 -4.635 1.00 1.02 H new ATOM 0 HD12 LEU A 28 3.475 1.001 -6.124 1.00 1.02 H new ATOM 0 HD13 LEU A 28 3.025 0.333 -4.537 1.00 1.02 H new ATOM 0 HD21 LEU A 28 5.648 1.118 -3.175 1.00 12.30 H new ATOM 0 HD22 LEU A 28 4.929 -0.497 -2.973 1.00 12.30 H new ATOM 0 HD23 LEU A 28 6.609 -0.335 -3.538 1.00 12.30 H new ATOM 404 N LYS A 29 6.670 -2.617 -8.486 1.00 34.14 N ATOM 405 CA LYS A 29 7.216 -3.864 -9.024 1.00 23.41 C ATOM 406 C LYS A 29 8.176 -4.445 -7.991 1.00 42.34 C ATOM 407 O LYS A 29 8.942 -3.702 -7.373 1.00 65.31 O ATOM 408 CB LYS A 29 7.900 -3.591 -10.372 1.00 74.51 C ATOM 409 CG LYS A 29 8.137 -4.826 -11.261 1.00 5.10 C ATOM 410 CD LYS A 29 6.820 -5.418 -11.793 1.00 12.44 C ATOM 411 CE LYS A 29 6.964 -6.322 -13.027 1.00 45.41 C ATOM 412 NZ LYS A 29 7.523 -5.663 -14.229 1.00 25.34 N ATOM 0 H LYS A 29 7.187 -1.781 -8.757 1.00 34.14 H new ATOM 0 HA LYS A 29 6.428 -4.593 -9.212 1.00 23.41 H new ATOM 0 HB2 LYS A 29 7.294 -2.876 -10.928 1.00 74.51 H new ATOM 0 HB3 LYS A 29 8.861 -3.113 -10.181 1.00 74.51 H new ATOM 0 HG2 LYS A 29 8.775 -4.551 -12.101 1.00 5.10 H new ATOM 0 HG3 LYS A 29 8.671 -5.586 -10.690 1.00 5.10 H new ATOM 0 HD2 LYS A 29 6.349 -5.991 -10.995 1.00 12.44 H new ATOM 0 HD3 LYS A 29 6.144 -4.599 -12.039 1.00 12.44 H new ATOM 0 HE2 LYS A 29 7.601 -7.167 -12.766 1.00 45.41 H new ATOM 0 HE3 LYS A 29 5.984 -6.727 -13.277 1.00 45.41 H new ATOM 0 HZ1 LYS A 29 7.456 -6.309 -15.042 1.00 25.34 H new ATOM 0 HZ2 LYS A 29 6.986 -4.796 -14.431 1.00 25.34 H new ATOM 0 HZ3 LYS A 29 8.520 -5.421 -14.060 1.00 25.34 H new ATOM 426 N VAL A 30 8.123 -5.756 -7.793 1.00 43.05 N ATOM 427 CA VAL A 30 8.894 -6.467 -6.778 1.00 44.11 C ATOM 428 C VAL A 30 9.305 -7.809 -7.362 1.00 32.41 C ATOM 429 O VAL A 30 8.581 -8.416 -8.161 1.00 22.40 O ATOM 430 CB VAL A 30 8.059 -6.660 -5.493 1.00 3.20 C ATOM 431 CG1 VAL A 30 8.928 -7.060 -4.298 1.00 52.43 C ATOM 432 CG2 VAL A 30 7.283 -5.401 -5.060 1.00 71.22 C ATOM 0 H VAL A 30 7.528 -6.371 -8.348 1.00 43.05 H new ATOM 0 HA VAL A 30 9.778 -5.891 -6.504 1.00 44.11 H new ATOM 0 HB VAL A 30 7.357 -7.450 -5.760 1.00 3.20 H new ATOM 0 HG11 VAL A 30 8.299 -7.185 -3.416 1.00 52.43 H new ATOM 0 HG12 VAL A 30 9.437 -7.999 -4.516 1.00 52.43 H new ATOM 0 HG13 VAL A 30 9.667 -6.282 -4.109 1.00 52.43 H new ATOM 0 HG21 VAL A 30 6.721 -5.615 -4.151 1.00 71.22 H new ATOM 0 HG22 VAL A 30 7.984 -4.588 -4.870 1.00 71.22 H new ATOM 0 HG23 VAL A 30 6.594 -5.108 -5.852 1.00 71.22 H new ATOM 442 N GLU A 31 10.482 -8.275 -6.968 1.00 25.14 N ATOM 443 CA GLU A 31 10.967 -9.591 -7.327 1.00 63.33 C ATOM 444 C GLU A 31 10.361 -10.667 -6.417 1.00 23.34 C ATOM 445 O GLU A 31 9.651 -10.358 -5.456 1.00 24.44 O ATOM 446 CB GLU A 31 12.494 -9.586 -7.309 1.00 54.01 C ATOM 447 CG GLU A 31 13.084 -9.410 -5.899 1.00 1.00 C ATOM 448 CD GLU A 31 14.563 -9.797 -5.864 1.00 12.41 C ATOM 449 OE1 GLU A 31 14.900 -10.877 -6.400 1.00 1.42 O ATOM 450 OE2 GLU A 31 15.372 -9.043 -5.285 1.00 52.42 O ATOM 0 H GLU A 31 11.129 -7.743 -6.386 1.00 25.14 H new ATOM 0 HA GLU A 31 10.647 -9.841 -8.339 1.00 63.33 H new ATOM 0 HB2 GLU A 31 12.859 -10.521 -7.734 1.00 54.01 H new ATOM 0 HB3 GLU A 31 12.856 -8.782 -7.950 1.00 54.01 H new ATOM 0 HG2 GLU A 31 12.969 -8.374 -5.581 1.00 1.00 H new ATOM 0 HG3 GLU A 31 12.528 -10.024 -5.190 1.00 1.00 H new ATOM 457 N ALA A 32 10.665 -11.935 -6.695 1.00 11.10 N ATOM 458 CA ALA A 32 10.101 -13.082 -6.005 1.00 64.33 C ATOM 459 C ALA A 32 10.546 -13.192 -4.546 1.00 64.43 C ATOM 460 O ALA A 32 10.020 -14.030 -3.832 1.00 72.13 O ATOM 461 CB ALA A 32 10.488 -14.351 -6.765 1.00 54.25 C ATOM 0 H ALA A 32 11.328 -12.193 -7.426 1.00 11.10 H new ATOM 0 HA ALA A 32 9.019 -12.952 -5.984 1.00 64.33 H new ATOM 0 HB1 ALA A 32 10.071 -15.221 -6.257 1.00 54.25 H new ATOM 0 HB2 ALA A 32 10.096 -14.301 -7.781 1.00 54.25 H new ATOM 0 HB3 ALA A 32 11.574 -14.438 -6.800 1.00 54.25 H new ATOM 467 N GLU A 33 11.509 -12.397 -4.087 1.00 4.11 N ATOM 468 CA GLU A 33 12.023 -12.413 -2.708 1.00 52.22 C ATOM 469 C GLU A 33 11.210 -11.466 -1.832 1.00 2.34 C ATOM 470 O GLU A 33 11.285 -11.487 -0.605 1.00 22.42 O ATOM 471 CB GLU A 33 13.523 -12.085 -2.695 1.00 35.11 C ATOM 472 CG GLU A 33 14.203 -13.020 -3.697 1.00 54.35 C ATOM 473 CD GLU A 33 15.712 -13.189 -3.570 1.00 11.32 C ATOM 474 OE1 GLU A 33 16.434 -12.184 -3.370 1.00 12.43 O ATOM 475 OE2 GLU A 33 16.164 -14.324 -3.837 1.00 20.20 O ATOM 0 H GLU A 33 11.970 -11.703 -4.675 1.00 4.11 H new ATOM 0 HA GLU A 33 11.911 -13.413 -2.289 1.00 52.22 H new ATOM 0 HB2 GLU A 33 13.691 -11.043 -2.967 1.00 35.11 H new ATOM 0 HB3 GLU A 33 13.938 -12.224 -1.697 1.00 35.11 H new ATOM 0 HG2 GLU A 33 13.743 -14.004 -3.608 1.00 54.35 H new ATOM 0 HG3 GLU A 33 13.986 -12.656 -4.701 1.00 54.35 H new ATOM 482 N GLY A 34 10.390 -10.659 -2.496 1.00 74.51 N ATOM 483 CA GLY A 34 9.694 -9.548 -1.921 1.00 63.54 C ATOM 484 C GLY A 34 10.671 -8.408 -1.664 1.00 11.33 C ATOM 485 O GLY A 34 11.870 -8.488 -1.949 1.00 21.32 O ATOM 0 H GLY A 34 10.194 -10.779 -3.490 1.00 74.51 H new ATOM 0 HA2 GLY A 34 8.901 -9.216 -2.592 1.00 63.54 H new ATOM 0 HA3 GLY A 34 9.217 -9.849 -0.988 1.00 63.54 H new ATOM 489 N GLY A 35 10.134 -7.317 -1.143 1.00 14.22 N ATOM 490 CA GLY A 35 10.920 -6.226 -0.609 1.00 53.13 C ATOM 491 C GLY A 35 10.109 -5.388 0.365 1.00 52.45 C ATOM 492 O GLY A 35 8.873 -5.453 0.386 1.00 61.33 O ATOM 0 H GLY A 35 9.127 -7.166 -1.080 1.00 14.22 H new ATOM 0 HA2 GLY A 35 11.801 -6.622 -0.105 1.00 53.13 H new ATOM 0 HA3 GLY A 35 11.275 -5.597 -1.425 1.00 53.13 H new ATOM 496 N SER A 36 10.813 -4.600 1.175 1.00 74.53 N ATOM 497 CA SER A 36 10.217 -3.725 2.170 1.00 20.40 C ATOM 498 C SER A 36 9.855 -2.376 1.541 1.00 32.24 C ATOM 499 O SER A 36 10.467 -1.952 0.558 1.00 3.22 O ATOM 500 CB SER A 36 11.179 -3.589 3.359 1.00 23.23 C ATOM 501 OG SER A 36 12.477 -3.159 2.981 1.00 40.30 O ATOM 0 H SER A 36 11.832 -4.554 1.154 1.00 74.53 H new ATOM 0 HA SER A 36 9.286 -4.152 2.543 1.00 20.40 H new ATOM 0 HB2 SER A 36 10.763 -2.881 4.076 1.00 23.23 H new ATOM 0 HB3 SER A 36 11.255 -4.550 3.868 1.00 23.23 H new ATOM 0 HG SER A 36 13.043 -3.089 3.778 1.00 40.30 H new ATOM 507 N SER A 37 8.850 -1.695 2.096 1.00 73.53 N ATOM 508 CA SER A 37 8.389 -0.405 1.589 1.00 3.02 C ATOM 509 C SER A 37 7.677 0.408 2.686 1.00 2.44 C ATOM 510 O SER A 37 7.136 -0.182 3.628 1.00 53.05 O ATOM 511 CB SER A 37 7.504 -0.699 0.372 1.00 53.44 C ATOM 512 OG SER A 37 6.541 -1.716 0.605 1.00 34.43 O ATOM 0 H SER A 37 8.333 -2.025 2.911 1.00 73.53 H new ATOM 0 HA SER A 37 9.224 0.226 1.283 1.00 3.02 H new ATOM 0 HB2 SER A 37 6.990 0.216 0.077 1.00 53.44 H new ATOM 0 HB3 SER A 37 8.137 -0.994 -0.465 1.00 53.44 H new ATOM 0 HG SER A 37 6.598 -2.013 1.537 1.00 34.43 H new ATOM 518 N LEU A 38 7.691 1.745 2.602 1.00 63.11 N ATOM 519 CA LEU A 38 7.199 2.683 3.618 1.00 35.31 C ATOM 520 C LEU A 38 6.657 3.942 2.941 1.00 3.32 C ATOM 521 O LEU A 38 7.272 4.433 1.993 1.00 70.11 O ATOM 522 CB LEU A 38 8.376 3.066 4.526 1.00 55.04 C ATOM 523 CG LEU A 38 8.098 4.189 5.545 1.00 35.14 C ATOM 524 CD1 LEU A 38 7.351 3.612 6.755 1.00 53.21 C ATOM 525 CD2 LEU A 38 9.432 4.816 5.941 1.00 73.33 C ATOM 0 H LEU A 38 8.064 2.225 1.783 1.00 63.11 H new ATOM 0 HA LEU A 38 6.401 2.220 4.198 1.00 35.31 H new ATOM 0 HB2 LEU A 38 8.695 2.177 5.071 1.00 55.04 H new ATOM 0 HB3 LEU A 38 9.212 3.371 3.897 1.00 55.04 H new ATOM 0 HG LEU A 38 7.464 4.963 5.113 1.00 35.14 H new ATOM 0 HD11 LEU A 38 7.155 4.407 7.475 1.00 53.21 H new ATOM 0 HD12 LEU A 38 6.406 3.179 6.427 1.00 53.21 H new ATOM 0 HD13 LEU A 38 7.960 2.840 7.224 1.00 53.21 H new ATOM 0 HD21 LEU A 38 9.259 5.614 6.663 1.00 73.33 H new ATOM 0 HD22 LEU A 38 10.073 4.056 6.388 1.00 73.33 H new ATOM 0 HD23 LEU A 38 9.918 5.226 5.056 1.00 73.33 H new ATOM 537 N PHE A 39 5.564 4.486 3.472 1.00 3.33 N ATOM 538 CA PHE A 39 4.726 5.520 2.893 1.00 65.12 C ATOM 539 C PHE A 39 4.363 6.493 4.021 1.00 53.42 C ATOM 540 O PHE A 39 3.434 6.241 4.790 1.00 44.30 O ATOM 541 CB PHE A 39 3.499 4.868 2.229 1.00 51.34 C ATOM 542 CG PHE A 39 3.877 3.756 1.271 1.00 21.40 C ATOM 543 CD1 PHE A 39 4.136 4.034 -0.084 1.00 1.11 C ATOM 544 CD2 PHE A 39 4.078 2.453 1.768 1.00 50.24 C ATOM 545 CE1 PHE A 39 4.644 3.025 -0.920 1.00 13.00 C ATOM 546 CE2 PHE A 39 4.593 1.448 0.938 1.00 53.24 C ATOM 547 CZ PHE A 39 4.896 1.744 -0.399 1.00 23.11 C ATOM 0 H PHE A 39 5.220 4.190 4.386 1.00 3.33 H new ATOM 0 HA PHE A 39 5.235 6.079 2.108 1.00 65.12 H new ATOM 0 HB2 PHE A 39 2.841 4.469 3.001 1.00 51.34 H new ATOM 0 HB3 PHE A 39 2.934 5.629 1.691 1.00 51.34 H new ATOM 0 HD1 PHE A 39 3.945 5.020 -0.480 1.00 1.11 H new ATOM 0 HD2 PHE A 39 3.834 2.227 2.795 1.00 50.24 H new ATOM 0 HE1 PHE A 39 4.841 3.234 -1.961 1.00 13.00 H new ATOM 0 HE2 PHE A 39 4.755 0.453 1.325 1.00 53.24 H new ATOM 0 HZ PHE A 39 5.326 0.982 -1.033 1.00 23.11 H new ATOM 557 N ALA A 40 5.125 7.582 4.181 1.00 21.32 N ATOM 558 CA ALA A 40 4.884 8.564 5.246 1.00 14.21 C ATOM 559 C ALA A 40 3.927 9.646 4.749 1.00 53.02 C ATOM 560 O ALA A 40 4.325 10.486 3.933 1.00 41.32 O ATOM 561 CB ALA A 40 6.193 9.193 5.725 1.00 40.22 C ATOM 0 H ALA A 40 5.919 7.806 3.582 1.00 21.32 H new ATOM 0 HA ALA A 40 4.432 8.046 6.092 1.00 14.21 H new ATOM 0 HB1 ALA A 40 5.982 9.916 6.513 1.00 40.22 H new ATOM 0 HB2 ALA A 40 6.850 8.415 6.112 1.00 40.22 H new ATOM 0 HB3 ALA A 40 6.681 9.698 4.891 1.00 40.22 H new ATOM 567 N CYS A 41 2.663 9.620 5.177 1.00 61.20 N ATOM 568 CA CYS A 41 1.652 10.518 4.641 1.00 65.12 C ATOM 569 C CYS A 41 1.810 11.907 5.260 1.00 24.44 C ATOM 570 O CYS A 41 1.438 12.140 6.414 1.00 52.22 O ATOM 571 CB CYS A 41 0.251 9.949 4.859 1.00 64.53 C ATOM 572 SG CYS A 41 -0.753 10.542 3.480 1.00 25.53 S ATOM 0 H CYS A 41 2.320 8.983 5.896 1.00 61.20 H new ATOM 0 HA CYS A 41 1.791 10.614 3.564 1.00 65.12 H new ATOM 0 HB2 CYS A 41 0.273 8.860 4.885 1.00 64.53 H new ATOM 0 HB3 CYS A 41 -0.161 10.282 5.812 1.00 64.53 H new ATOM 0 HG CYS A 41 -0.466 9.861 2.410 1.00 25.53 H new ATOM 578 N LYS A 42 2.384 12.859 4.524 1.00 22.21 N ATOM 579 CA LYS A 42 2.662 14.178 5.082 1.00 12.22 C ATOM 580 C LYS A 42 1.359 14.953 5.301 1.00 42.00 C ATOM 581 O LYS A 42 1.311 15.765 6.216 1.00 54.41 O ATOM 582 CB LYS A 42 3.618 14.931 4.147 1.00 14.35 C ATOM 583 CG LYS A 42 4.409 16.083 4.788 1.00 11.44 C ATOM 584 CD LYS A 42 5.487 15.617 5.780 1.00 25.52 C ATOM 585 CE LYS A 42 6.633 16.636 5.873 1.00 62.31 C ATOM 586 NZ LYS A 42 6.736 17.283 7.193 1.00 21.54 N ATOM 0 H LYS A 42 2.662 12.742 3.550 1.00 22.21 H new ATOM 0 HA LYS A 42 3.142 14.072 6.055 1.00 12.22 H new ATOM 0 HB2 LYS A 42 4.327 14.216 3.730 1.00 14.35 H new ATOM 0 HB3 LYS A 42 3.041 15.331 3.313 1.00 14.35 H new ATOM 0 HG2 LYS A 42 4.882 16.669 4.000 1.00 11.44 H new ATOM 0 HG3 LYS A 42 3.714 16.745 5.305 1.00 11.44 H new ATOM 0 HD2 LYS A 42 5.042 15.475 6.765 1.00 25.52 H new ATOM 0 HD3 LYS A 42 5.881 14.650 5.466 1.00 25.52 H new ATOM 0 HE2 LYS A 42 7.574 16.134 5.648 1.00 62.31 H new ATOM 0 HE3 LYS A 42 6.490 17.402 5.111 1.00 62.31 H new ATOM 0 HZ1 LYS A 42 7.528 17.958 7.188 1.00 21.54 H new ATOM 0 HZ2 LYS A 42 5.851 17.789 7.402 1.00 21.54 H new ATOM 0 HZ3 LYS A 42 6.902 16.560 7.922 1.00 21.54 H new ATOM 600 N ASN A 43 0.313 14.685 4.505 1.00 42.11 N ATOM 601 CA ASN A 43 -0.926 15.472 4.461 1.00 34.54 C ATOM 602 C ASN A 43 -2.062 14.817 5.262 1.00 62.30 C ATOM 603 O ASN A 43 -3.156 15.368 5.354 1.00 73.20 O ATOM 604 CB ASN A 43 -1.322 15.692 2.987 1.00 31.31 C ATOM 605 CG ASN A 43 -2.580 16.535 2.788 1.00 4.35 C ATOM 606 OD1 ASN A 43 -2.847 17.479 3.521 1.00 2.32 O ATOM 607 ND2 ASN A 43 -3.353 16.252 1.754 1.00 65.40 N ATOM 0 H ASN A 43 0.306 13.896 3.859 1.00 42.11 H new ATOM 0 HA ASN A 43 -0.747 16.436 4.937 1.00 34.54 H new ATOM 0 HB2 ASN A 43 -0.492 16.173 2.469 1.00 31.31 H new ATOM 0 HB3 ASN A 43 -1.472 14.721 2.516 1.00 31.31 H new ATOM 0 HD21 ASN A 43 -4.177 16.821 1.563 1.00 65.40 H new ATOM 0 HD22 ASN A 43 -3.125 15.464 1.147 1.00 65.40 H new ATOM 614 N TYR A 44 -1.847 13.629 5.837 1.00 12.34 N ATOM 615 CA TYR A 44 -2.918 12.904 6.503 1.00 50.10 C ATOM 616 C TYR A 44 -2.407 12.133 7.705 1.00 22.32 C ATOM 617 O TYR A 44 -1.322 11.557 7.639 1.00 72.21 O ATOM 618 CB TYR A 44 -3.565 11.962 5.484 1.00 64.51 C ATOM 619 CG TYR A 44 -4.677 12.631 4.728 1.00 25.14 C ATOM 620 CD1 TYR A 44 -5.904 12.840 5.381 1.00 42.43 C ATOM 621 CD2 TYR A 44 -4.476 13.071 3.406 1.00 34.53 C ATOM 622 CE1 TYR A 44 -6.968 13.424 4.687 1.00 61.12 C ATOM 623 CE2 TYR A 44 -5.543 13.654 2.703 1.00 70.53 C ATOM 624 CZ TYR A 44 -6.796 13.793 3.338 1.00 54.11 C ATOM 625 OH TYR A 44 -7.857 14.261 2.644 1.00 33.13 O ATOM 0 H TYR A 44 -0.943 13.156 5.851 1.00 12.34 H new ATOM 0 HA TYR A 44 -3.656 13.613 6.878 1.00 50.10 H new ATOM 0 HB2 TYR A 44 -2.808 11.612 4.782 1.00 64.51 H new ATOM 0 HB3 TYR A 44 -3.953 11.083 5.998 1.00 64.51 H new ATOM 0 HD1 TYR A 44 -6.024 12.551 6.415 1.00 42.43 H new ATOM 0 HD2 TYR A 44 -3.510 12.961 2.936 1.00 34.53 H new ATOM 0 HE1 TYR A 44 -7.914 13.591 5.181 1.00 61.12 H new ATOM 0 HE2 TYR A 44 -5.406 13.993 1.687 1.00 70.53 H new ATOM 0 HH TYR A 44 -8.576 13.595 2.657 1.00 33.13 H new ATOM 635 N LYS A 45 -3.202 12.108 8.779 1.00 60.20 N ATOM 636 CA LYS A 45 -3.083 11.310 9.987 1.00 61.33 C ATOM 637 C LYS A 45 -4.506 10.937 10.415 1.00 40.15 C ATOM 638 O LYS A 45 -4.978 11.344 11.474 1.00 2.03 O ATOM 639 CB LYS A 45 -2.401 12.131 11.081 1.00 34.45 C ATOM 640 CG LYS A 45 -0.963 12.533 10.768 1.00 33.12 C ATOM 641 CD LYS A 45 -0.873 14.047 10.588 1.00 22.13 C ATOM 642 CE LYS A 45 0.530 14.448 10.148 1.00 14.11 C ATOM 643 NZ LYS A 45 0.712 14.278 8.694 1.00 31.13 N ATOM 0 H LYS A 45 -4.025 12.709 8.820 1.00 60.20 H new ATOM 0 HA LYS A 45 -2.484 10.416 9.814 1.00 61.33 H new ATOM 0 HB2 LYS A 45 -2.986 13.033 11.259 1.00 34.45 H new ATOM 0 HB3 LYS A 45 -2.411 11.557 12.008 1.00 34.45 H new ATOM 0 HG2 LYS A 45 -0.303 12.214 11.575 1.00 33.12 H new ATOM 0 HG3 LYS A 45 -0.625 12.030 9.862 1.00 33.12 H new ATOM 0 HD2 LYS A 45 -1.601 14.375 9.846 1.00 22.13 H new ATOM 0 HD3 LYS A 45 -1.124 14.546 11.524 1.00 22.13 H new ATOM 0 HE2 LYS A 45 0.714 15.488 10.419 1.00 14.11 H new ATOM 0 HE3 LYS A 45 1.265 13.845 10.680 1.00 14.11 H new ATOM 0 HZ1 LYS A 45 1.483 13.603 8.517 1.00 31.13 H new ATOM 0 HZ2 LYS A 45 -0.168 13.916 8.274 1.00 31.13 H new ATOM 0 HZ3 LYS A 45 0.949 15.195 8.264 1.00 31.13 H new ATOM 657 N SER A 46 -5.216 10.268 9.517 1.00 54.21 N ATOM 658 CA SER A 46 -6.550 9.719 9.699 1.00 14.20 C ATOM 659 C SER A 46 -6.831 8.981 8.397 1.00 54.21 C ATOM 660 O SER A 46 -7.288 9.618 7.443 1.00 14.22 O ATOM 661 CB SER A 46 -7.598 10.818 9.985 1.00 64.35 C ATOM 662 OG SER A 46 -7.589 11.843 8.994 1.00 4.23 O ATOM 0 H SER A 46 -4.851 10.083 8.583 1.00 54.21 H new ATOM 0 HA SER A 46 -6.610 9.061 10.566 1.00 14.20 H new ATOM 0 HB2 SER A 46 -8.590 10.368 10.031 1.00 64.35 H new ATOM 0 HB3 SER A 46 -7.402 11.259 10.963 1.00 64.35 H new ATOM 0 HG SER A 46 -7.512 11.438 8.105 1.00 4.23 H new ATOM 668 N PHE A 47 -6.429 7.716 8.301 1.00 42.43 N ATOM 669 CA PHE A 47 -6.637 6.890 7.118 1.00 0.23 C ATOM 670 C PHE A 47 -6.559 5.413 7.502 1.00 2.30 C ATOM 671 O PHE A 47 -5.873 5.064 8.470 1.00 23.14 O ATOM 672 CB PHE A 47 -5.624 7.246 6.014 1.00 3.41 C ATOM 673 CG PHE A 47 -4.169 6.918 6.277 1.00 51.04 C ATOM 674 CD1 PHE A 47 -3.690 5.630 5.985 1.00 11.22 C ATOM 675 CD2 PHE A 47 -3.279 7.907 6.740 1.00 62.54 C ATOM 676 CE1 PHE A 47 -2.335 5.325 6.173 1.00 43.22 C ATOM 677 CE2 PHE A 47 -1.918 7.600 6.925 1.00 72.22 C ATOM 678 CZ PHE A 47 -1.443 6.304 6.650 1.00 34.44 C ATOM 0 H PHE A 47 -5.943 7.230 9.055 1.00 42.43 H new ATOM 0 HA PHE A 47 -7.630 7.087 6.714 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -5.926 6.733 5.101 1.00 3.41 H new ATOM 0 HB3 PHE A 47 -5.699 8.316 5.819 1.00 3.41 H new ATOM 0 HD1 PHE A 47 -4.367 4.874 5.615 1.00 11.22 H new ATOM 0 HD2 PHE A 47 -3.641 8.902 6.953 1.00 62.54 H new ATOM 0 HE1 PHE A 47 -1.973 4.332 5.950 1.00 43.22 H new ATOM 0 HE2 PHE A 47 -1.237 8.360 7.279 1.00 72.22 H new ATOM 0 HZ PHE A 47 -0.402 6.062 6.804 1.00 34.44 H new ATOM 688 N TRP A 48 -7.239 4.548 6.747 1.00 13.11 N ATOM 689 CA TRP A 48 -7.373 3.130 7.062 1.00 63.41 C ATOM 690 C TRP A 48 -7.514 2.276 5.809 1.00 75.53 C ATOM 691 O TRP A 48 -7.852 2.761 4.726 1.00 71.23 O ATOM 692 CB TRP A 48 -8.591 2.918 7.965 1.00 15.10 C ATOM 693 CG TRP A 48 -9.903 3.399 7.420 1.00 24.54 C ATOM 694 CD1 TRP A 48 -10.774 2.649 6.708 1.00 23.41 C ATOM 695 CD2 TRP A 48 -10.469 4.746 7.455 1.00 24.41 C ATOM 696 NE1 TRP A 48 -11.843 3.425 6.319 1.00 63.15 N ATOM 697 CE2 TRP A 48 -11.712 4.727 6.760 1.00 34.54 C ATOM 698 CE3 TRP A 48 -10.050 5.986 7.985 1.00 3.41 C ATOM 699 CZ2 TRP A 48 -12.487 5.883 6.591 1.00 75.15 C ATOM 700 CZ3 TRP A 48 -10.798 7.161 7.777 1.00 72.41 C ATOM 701 CH2 TRP A 48 -12.023 7.110 7.090 1.00 52.01 C ATOM 0 H TRP A 48 -7.718 4.820 5.888 1.00 13.11 H new ATOM 0 HA TRP A 48 -6.463 2.818 7.575 1.00 63.41 H new ATOM 0 HB2 TRP A 48 -8.678 1.853 8.181 1.00 15.10 H new ATOM 0 HB3 TRP A 48 -8.407 3.422 8.914 1.00 15.10 H new ATOM 0 HD1 TRP A 48 -10.650 1.601 6.479 1.00 23.41 H new ATOM 0 HE1 TRP A 48 -12.633 3.081 5.773 1.00 63.15 H new ATOM 0 HE3 TRP A 48 -9.138 6.034 8.561 1.00 3.41 H new ATOM 0 HZ2 TRP A 48 -13.437 5.830 6.079 1.00 75.15 H new ATOM 0 HZ3 TRP A 48 -10.428 8.106 8.147 1.00 72.41 H new ATOM 0 HH2 TRP A 48 -12.604 8.009 6.947 1.00 52.01 H new ATOM 712 N ILE A 49 -7.280 0.978 6.005 1.00 14.33 N ATOM 713 CA ILE A 49 -7.360 -0.064 4.993 1.00 2.30 C ATOM 714 C ILE A 49 -8.847 -0.352 4.814 1.00 11.03 C ATOM 715 O ILE A 49 -9.502 -0.631 5.818 1.00 75.25 O ATOM 716 CB ILE A 49 -6.630 -1.335 5.477 1.00 2.34 C ATOM 717 CG1 ILE A 49 -5.185 -1.039 5.944 1.00 72.14 C ATOM 718 CG2 ILE A 49 -6.673 -2.444 4.402 1.00 13.14 C ATOM 719 CD1 ILE A 49 -4.174 -0.785 4.820 1.00 12.01 C ATOM 0 H ILE A 49 -7.017 0.612 6.920 1.00 14.33 H new ATOM 0 HA ILE A 49 -6.892 0.246 4.059 1.00 2.30 H new ATOM 0 HB ILE A 49 -7.166 -1.702 6.352 1.00 2.34 H new ATOM 0 HG12 ILE A 49 -5.203 -0.167 6.598 1.00 72.14 H new ATOM 0 HG13 ILE A 49 -4.835 -1.880 6.543 1.00 72.14 H new ATOM 0 HG21 ILE A 49 -6.151 -3.328 4.770 1.00 13.14 H new ATOM 0 HG22 ILE A 49 -7.710 -2.699 4.184 1.00 13.14 H new ATOM 0 HG23 ILE A 49 -6.188 -2.088 3.493 1.00 13.14 H new ATOM 0 HD11 ILE A 49 -3.193 -0.588 5.251 1.00 12.01 H new ATOM 0 HD12 ILE A 49 -4.118 -1.663 4.176 1.00 12.01 H new ATOM 0 HD13 ILE A 49 -4.492 0.076 4.232 1.00 12.01 H new ATOM 731 N SER A 50 -9.386 -0.324 3.595 1.00 2.02 N ATOM 732 CA SER A 50 -10.710 -0.901 3.349 1.00 42.25 C ATOM 733 C SER A 50 -10.722 -1.900 2.178 1.00 15.20 C ATOM 734 O SER A 50 -11.736 -2.567 1.963 1.00 32.53 O ATOM 735 CB SER A 50 -11.769 0.207 3.259 1.00 41.42 C ATOM 736 OG SER A 50 -13.014 -0.278 3.726 1.00 71.54 O ATOM 0 H SER A 50 -8.937 0.084 2.775 1.00 2.02 H new ATOM 0 HA SER A 50 -10.982 -1.516 4.207 1.00 42.25 H new ATOM 0 HB2 SER A 50 -11.459 1.068 3.851 1.00 41.42 H new ATOM 0 HB3 SER A 50 -11.865 0.548 2.228 1.00 41.42 H new ATOM 0 HG SER A 50 -13.685 0.434 3.668 1.00 71.54 H new ATOM 742 N SER A 51 -9.602 -2.102 1.469 1.00 61.14 N ATOM 743 CA SER A 51 -9.534 -3.060 0.371 1.00 40.44 C ATOM 744 C SER A 51 -8.181 -3.772 0.345 1.00 52.43 C ATOM 745 O SER A 51 -7.141 -3.201 0.695 1.00 63.42 O ATOM 746 CB SER A 51 -9.839 -2.324 -0.939 1.00 70.21 C ATOM 747 OG SER A 51 -9.941 -3.211 -2.032 1.00 64.25 O ATOM 0 H SER A 51 -8.727 -1.607 1.643 1.00 61.14 H new ATOM 0 HA SER A 51 -10.280 -3.843 0.509 1.00 40.44 H new ATOM 0 HB2 SER A 51 -10.771 -1.769 -0.834 1.00 70.21 H new ATOM 0 HB3 SER A 51 -9.054 -1.594 -1.136 1.00 70.21 H new ATOM 0 HG SER A 51 -10.138 -2.704 -2.847 1.00 64.25 H new ATOM 753 N VAL A 52 -8.216 -5.031 -0.093 1.00 43.12 N ATOM 754 CA VAL A 52 -7.090 -5.938 -0.245 1.00 43.01 C ATOM 755 C VAL A 52 -7.345 -6.769 -1.501 1.00 11.00 C ATOM 756 O VAL A 52 -8.441 -7.301 -1.672 1.00 20.54 O ATOM 757 CB VAL A 52 -6.972 -6.869 0.987 1.00 20.40 C ATOM 758 CG1 VAL A 52 -5.681 -7.703 0.908 1.00 21.13 C ATOM 759 CG2 VAL A 52 -7.046 -6.125 2.330 1.00 40.32 C ATOM 0 H VAL A 52 -9.095 -5.469 -0.369 1.00 43.12 H new ATOM 0 HA VAL A 52 -6.159 -5.377 -0.329 1.00 43.01 H new ATOM 0 HB VAL A 52 -7.839 -7.528 0.954 1.00 20.40 H new ATOM 0 HG11 VAL A 52 -5.613 -8.352 1.781 1.00 21.13 H new ATOM 0 HG12 VAL A 52 -5.696 -8.312 0.004 1.00 21.13 H new ATOM 0 HG13 VAL A 52 -4.819 -7.037 0.883 1.00 21.13 H new ATOM 0 HG21 VAL A 52 -6.956 -6.840 3.148 1.00 40.32 H new ATOM 0 HG22 VAL A 52 -6.233 -5.401 2.390 1.00 40.32 H new ATOM 0 HG23 VAL A 52 -8.001 -5.605 2.406 1.00 40.32 H new ATOM 769 N LYS A 53 -6.324 -6.974 -2.332 1.00 0.42 N ATOM 770 CA LYS A 53 -6.245 -8.071 -3.295 1.00 32.33 C ATOM 771 C LYS A 53 -4.962 -8.792 -2.962 1.00 34.41 C ATOM 772 O LYS A 53 -3.981 -8.123 -2.656 1.00 75.24 O ATOM 773 CB LYS A 53 -6.235 -7.540 -4.739 1.00 14.00 C ATOM 774 CG LYS A 53 -5.762 -8.530 -5.819 1.00 32.30 C ATOM 775 CD LYS A 53 -6.186 -8.137 -7.248 1.00 1.33 C ATOM 776 CE LYS A 53 -5.467 -6.914 -7.826 1.00 5.31 C ATOM 777 NZ LYS A 53 -4.077 -7.211 -8.241 1.00 62.34 N ATOM 0 H LYS A 53 -5.506 -6.365 -2.354 1.00 0.42 H new ATOM 0 HA LYS A 53 -7.107 -8.735 -3.232 1.00 32.33 H new ATOM 0 HB2 LYS A 53 -7.243 -7.212 -4.991 1.00 14.00 H new ATOM 0 HB3 LYS A 53 -5.595 -6.659 -4.777 1.00 14.00 H new ATOM 0 HG2 LYS A 53 -4.675 -8.605 -5.780 1.00 32.30 H new ATOM 0 HG3 LYS A 53 -6.158 -9.519 -5.591 1.00 32.30 H new ATOM 0 HD2 LYS A 53 -6.013 -8.987 -7.908 1.00 1.33 H new ATOM 0 HD3 LYS A 53 -7.259 -7.944 -7.252 1.00 1.33 H new ATOM 0 HE2 LYS A 53 -6.026 -6.541 -8.684 1.00 5.31 H new ATOM 0 HE3 LYS A 53 -5.457 -6.118 -7.081 1.00 5.31 H new ATOM 0 HZ1 LYS A 53 -3.638 -6.350 -8.624 1.00 62.34 H new ATOM 0 HZ2 LYS A 53 -3.532 -7.541 -7.419 1.00 62.34 H new ATOM 0 HZ3 LYS A 53 -4.083 -7.951 -8.972 1.00 62.34 H new ATOM 791 N GLU A 54 -4.974 -10.117 -3.051 1.00 35.53 N ATOM 792 CA GLU A 54 -3.799 -10.955 -2.798 1.00 31.11 C ATOM 793 C GLU A 54 -3.695 -12.119 -3.773 1.00 24.11 C ATOM 794 O GLU A 54 -2.667 -12.786 -3.826 1.00 35.12 O ATOM 795 CB GLU A 54 -3.795 -11.418 -1.336 1.00 15.11 C ATOM 796 CG GLU A 54 -4.950 -12.349 -0.950 1.00 21.33 C ATOM 797 CD GLU A 54 -4.443 -13.709 -0.468 1.00 13.33 C ATOM 798 OE1 GLU A 54 -4.075 -13.830 0.716 1.00 34.44 O ATOM 799 OE2 GLU A 54 -4.457 -14.671 -1.268 1.00 60.34 O ATOM 0 H GLU A 54 -5.807 -10.649 -3.303 1.00 35.53 H new ATOM 0 HA GLU A 54 -2.907 -10.352 -2.969 1.00 31.11 H new ATOM 0 HB2 GLU A 54 -2.853 -11.929 -1.135 1.00 15.11 H new ATOM 0 HB3 GLU A 54 -3.825 -10.539 -0.692 1.00 15.11 H new ATOM 0 HG2 GLU A 54 -5.546 -11.884 -0.165 1.00 21.33 H new ATOM 0 HG3 GLU A 54 -5.607 -12.489 -1.808 1.00 21.33 H new ATOM 806 N GLU A 55 -4.718 -12.327 -4.600 1.00 63.15 N ATOM 807 CA GLU A 55 -4.921 -13.591 -5.310 1.00 62.31 C ATOM 808 C GLU A 55 -5.414 -13.395 -6.740 1.00 12.14 C ATOM 809 O GLU A 55 -5.763 -14.349 -7.426 1.00 41.04 O ATOM 810 CB GLU A 55 -5.906 -14.465 -4.513 1.00 62.21 C ATOM 811 CG GLU A 55 -5.289 -15.854 -4.381 1.00 20.24 C ATOM 812 CD GLU A 55 -6.212 -16.837 -3.656 1.00 20.22 C ATOM 813 OE1 GLU A 55 -7.420 -16.929 -3.979 1.00 71.14 O ATOM 814 OE2 GLU A 55 -5.749 -17.541 -2.733 1.00 52.21 O ATOM 0 H GLU A 55 -5.430 -11.624 -4.798 1.00 63.15 H new ATOM 0 HA GLU A 55 -3.954 -14.088 -5.386 1.00 62.31 H new ATOM 0 HB2 GLU A 55 -6.091 -14.033 -3.529 1.00 62.21 H new ATOM 0 HB3 GLU A 55 -6.868 -14.520 -5.023 1.00 62.21 H new ATOM 0 HG2 GLU A 55 -5.058 -16.241 -5.373 1.00 20.24 H new ATOM 0 HG3 GLU A 55 -4.346 -15.779 -3.840 1.00 20.24 H new ATOM 821 N GLY A 56 -5.489 -12.142 -7.178 1.00 34.53 N ATOM 822 CA GLY A 56 -6.162 -11.754 -8.402 1.00 73.33 C ATOM 823 C GLY A 56 -7.588 -11.268 -8.136 1.00 74.24 C ATOM 824 O GLY A 56 -8.161 -10.600 -8.998 1.00 54.31 O ATOM 0 H GLY A 56 -5.074 -11.356 -6.678 1.00 34.53 H new ATOM 0 HA2 GLY A 56 -5.595 -10.964 -8.894 1.00 73.33 H new ATOM 0 HA3 GLY A 56 -6.189 -12.602 -9.087 1.00 73.33 H new ATOM 828 N LYS A 57 -8.141 -11.518 -6.941 1.00 61.45 N ATOM 829 CA LYS A 57 -9.466 -11.064 -6.516 1.00 42.05 C ATOM 830 C LYS A 57 -9.348 -10.180 -5.285 1.00 22.31 C ATOM 831 O LYS A 57 -8.328 -10.234 -4.591 1.00 3.02 O ATOM 832 CB LYS A 57 -10.384 -12.264 -6.216 1.00 10.22 C ATOM 833 CG LYS A 57 -9.812 -13.240 -5.171 1.00 21.12 C ATOM 834 CD LYS A 57 -10.920 -13.807 -4.277 1.00 2.21 C ATOM 835 CE LYS A 57 -10.339 -14.943 -3.440 1.00 3.14 C ATOM 836 NZ LYS A 57 -11.352 -15.603 -2.591 1.00 55.23 N ATOM 0 H LYS A 57 -7.660 -12.060 -6.223 1.00 61.45 H new ATOM 0 HA LYS A 57 -9.906 -10.486 -7.329 1.00 42.05 H new ATOM 0 HB2 LYS A 57 -11.347 -11.894 -5.864 1.00 10.22 H new ATOM 0 HB3 LYS A 57 -10.571 -12.807 -7.142 1.00 10.22 H new ATOM 0 HG2 LYS A 57 -9.296 -14.056 -5.676 1.00 21.12 H new ATOM 0 HG3 LYS A 57 -9.072 -12.727 -4.557 1.00 21.12 H new ATOM 0 HD2 LYS A 57 -11.320 -13.027 -3.629 1.00 2.21 H new ATOM 0 HD3 LYS A 57 -11.748 -14.171 -4.886 1.00 2.21 H new ATOM 0 HE2 LYS A 57 -9.888 -15.683 -4.102 1.00 3.14 H new ATOM 0 HE3 LYS A 57 -9.541 -14.552 -2.809 1.00 3.14 H new ATOM 0 HZ1 LYS A 57 -10.903 -16.366 -2.045 1.00 55.23 H new ATOM 0 HZ2 LYS A 57 -11.765 -14.907 -1.938 1.00 55.23 H new ATOM 0 HZ3 LYS A 57 -12.102 -16.002 -3.191 1.00 55.23 H new ATOM 850 N PHE A 58 -10.389 -9.398 -5.003 1.00 74.23 N ATOM 851 CA PHE A 58 -10.478 -8.642 -3.762 1.00 61.51 C ATOM 852 C PHE A 58 -10.855 -9.599 -2.637 1.00 60.44 C ATOM 853 O PHE A 58 -11.857 -10.313 -2.741 1.00 11.02 O ATOM 854 CB PHE A 58 -11.521 -7.524 -3.853 1.00 44.41 C ATOM 855 CG PHE A 58 -11.225 -6.330 -4.749 1.00 62.43 C ATOM 856 CD1 PHE A 58 -10.003 -6.185 -5.440 1.00 34.51 C ATOM 857 CD2 PHE A 58 -12.196 -5.319 -4.854 1.00 14.30 C ATOM 858 CE1 PHE A 58 -9.744 -5.032 -6.200 1.00 63.54 C ATOM 859 CE2 PHE A 58 -11.948 -4.175 -5.630 1.00 25.52 C ATOM 860 CZ PHE A 58 -10.720 -4.028 -6.301 1.00 32.10 C ATOM 0 H PHE A 58 -11.187 -9.273 -5.626 1.00 74.23 H new ATOM 0 HA PHE A 58 -9.511 -8.177 -3.568 1.00 61.51 H new ATOM 0 HB2 PHE A 58 -12.457 -7.969 -4.191 1.00 44.41 H new ATOM 0 HB3 PHE A 58 -11.693 -7.148 -2.845 1.00 44.41 H new ATOM 0 HD1 PHE A 58 -9.260 -6.967 -5.384 1.00 34.51 H new ATOM 0 HD2 PHE A 58 -13.138 -5.423 -4.335 1.00 14.30 H new ATOM 0 HE1 PHE A 58 -8.796 -4.918 -6.705 1.00 63.54 H new ATOM 0 HE2 PHE A 58 -12.702 -3.406 -5.712 1.00 25.52 H new ATOM 0 HZ PHE A 58 -10.529 -3.145 -6.892 1.00 32.10 H new ATOM 870 N LYS A 59 -10.050 -9.624 -1.579 1.00 13.04 N ATOM 871 CA LYS A 59 -10.321 -10.335 -0.351 1.00 24.54 C ATOM 872 C LYS A 59 -11.304 -9.630 0.572 1.00 14.44 C ATOM 873 O LYS A 59 -11.786 -8.521 0.319 1.00 72.14 O ATOM 874 CB LYS A 59 -8.985 -10.572 0.380 1.00 32.22 C ATOM 875 CG LYS A 59 -8.643 -12.054 0.287 1.00 31.42 C ATOM 876 CD LYS A 59 -7.794 -12.546 1.461 1.00 2.20 C ATOM 877 CE LYS A 59 -8.493 -12.475 2.822 1.00 52.32 C ATOM 878 NZ LYS A 59 -9.054 -13.762 3.271 1.00 41.12 N ATOM 0 H LYS A 59 -9.159 -9.128 -1.561 1.00 13.04 H new ATOM 0 HA LYS A 59 -10.800 -11.276 -0.622 1.00 24.54 H new ATOM 0 HB2 LYS A 59 -8.195 -9.971 -0.070 1.00 32.22 H new ATOM 0 HB3 LYS A 59 -9.064 -10.266 1.423 1.00 32.22 H new ATOM 0 HG2 LYS A 59 -9.566 -12.632 0.246 1.00 31.42 H new ATOM 0 HG3 LYS A 59 -8.108 -12.240 -0.644 1.00 31.42 H new ATOM 0 HD2 LYS A 59 -7.498 -13.578 1.272 1.00 2.20 H new ATOM 0 HD3 LYS A 59 -6.879 -11.955 1.505 1.00 2.20 H new ATOM 0 HE2 LYS A 59 -7.781 -12.120 3.567 1.00 52.32 H new ATOM 0 HE3 LYS A 59 -9.295 -11.738 2.770 1.00 52.32 H new ATOM 0 HZ1 LYS A 59 -9.510 -13.638 4.197 1.00 41.12 H new ATOM 0 HZ2 LYS A 59 -9.757 -14.094 2.580 1.00 41.12 H new ATOM 0 HZ3 LYS A 59 -8.291 -14.464 3.353 1.00 41.12 H new ATOM 892 N GLU A 60 -11.555 -10.328 1.674 1.00 0.32 N ATOM 893 CA GLU A 60 -12.188 -9.779 2.864 1.00 0.12 C ATOM 894 C GLU A 60 -11.203 -8.834 3.563 1.00 32.22 C ATOM 895 O GLU A 60 -10.002 -8.855 3.287 1.00 51.21 O ATOM 896 CB GLU A 60 -12.554 -10.947 3.791 1.00 0.14 C ATOM 897 CG GLU A 60 -13.736 -11.762 3.314 1.00 33.54 C ATOM 898 CD GLU A 60 -15.068 -11.198 3.796 1.00 1.21 C ATOM 899 OE1 GLU A 60 -15.523 -10.145 3.301 1.00 40.22 O ATOM 900 OE2 GLU A 60 -15.724 -11.829 4.647 1.00 63.35 O ATOM 0 H GLU A 60 -11.317 -11.316 1.765 1.00 0.32 H new ATOM 0 HA GLU A 60 -13.087 -9.220 2.605 1.00 0.12 H new ATOM 0 HB2 GLU A 60 -11.689 -11.603 3.891 1.00 0.14 H new ATOM 0 HB3 GLU A 60 -12.773 -10.555 4.784 1.00 0.14 H new ATOM 0 HG2 GLU A 60 -13.733 -11.797 2.225 1.00 33.54 H new ATOM 0 HG3 GLU A 60 -13.631 -12.788 3.666 1.00 33.54 H new ATOM 907 N ASN A 61 -11.690 -8.047 4.519 1.00 40.41 N ATOM 908 CA ASN A 61 -10.879 -7.284 5.464 1.00 51.11 C ATOM 909 C ASN A 61 -11.570 -7.371 6.830 1.00 40.12 C ATOM 910 O ASN A 61 -12.734 -7.767 6.905 1.00 41.23 O ATOM 911 CB ASN A 61 -10.689 -5.839 4.959 1.00 61.25 C ATOM 912 CG ASN A 61 -9.847 -4.997 5.907 1.00 12.10 C ATOM 913 OD1 ASN A 61 -8.925 -5.493 6.548 1.00 64.11 O ATOM 914 ND2 ASN A 61 -10.142 -3.722 6.051 1.00 72.22 N ATOM 0 H ASN A 61 -12.692 -7.919 4.662 1.00 40.41 H new ATOM 0 HA ASN A 61 -9.873 -7.692 5.559 1.00 51.11 H new ATOM 0 HB2 ASN A 61 -10.215 -5.860 3.978 1.00 61.25 H new ATOM 0 HB3 ASN A 61 -11.665 -5.371 4.831 1.00 61.25 H new ATOM 0 HD21 ASN A 61 -9.604 -3.144 6.696 1.00 72.22 H new ATOM 0 HD22 ASN A 61 -10.909 -3.312 5.517 1.00 72.22 H new ATOM 921 N THR A 62 -10.860 -7.060 7.912 1.00 72.22 N ATOM 922 CA THR A 62 -11.341 -7.242 9.280 1.00 22.51 C ATOM 923 C THR A 62 -10.725 -6.209 10.245 1.00 0.32 C ATOM 924 O THR A 62 -10.830 -6.343 11.462 1.00 73.23 O ATOM 925 CB THR A 62 -11.095 -8.719 9.668 1.00 42.01 C ATOM 926 OG1 THR A 62 -11.937 -9.151 10.718 1.00 23.52 O ATOM 927 CG2 THR A 62 -9.636 -8.972 10.033 1.00 44.23 C ATOM 0 H THR A 62 -9.920 -6.668 7.862 1.00 72.22 H new ATOM 0 HA THR A 62 -12.411 -7.049 9.352 1.00 22.51 H new ATOM 0 HB THR A 62 -11.340 -9.305 8.782 1.00 42.01 H new ATOM 0 HG1 THR A 62 -11.745 -10.089 10.926 1.00 23.52 H new ATOM 0 HG21 THR A 62 -9.504 -10.021 10.299 1.00 44.23 H new ATOM 0 HG22 THR A 62 -9.001 -8.732 9.181 1.00 44.23 H new ATOM 0 HG23 THR A 62 -9.359 -8.345 10.880 1.00 44.23 H new ATOM 935 N SER A 63 -10.013 -5.200 9.737 1.00 22.50 N ATOM 936 CA SER A 63 -9.187 -4.301 10.531 1.00 54.33 C ATOM 937 C SER A 63 -9.096 -2.974 9.776 1.00 34.24 C ATOM 938 O SER A 63 -9.249 -2.944 8.556 1.00 4.02 O ATOM 939 CB SER A 63 -7.835 -5.007 10.718 1.00 42.13 C ATOM 940 OG SER A 63 -6.743 -4.177 11.072 1.00 73.31 O ATOM 0 H SER A 63 -9.998 -4.985 8.740 1.00 22.50 H new ATOM 0 HA SER A 63 -9.588 -4.076 11.519 1.00 54.33 H new ATOM 0 HB2 SER A 63 -7.950 -5.770 11.488 1.00 42.13 H new ATOM 0 HB3 SER A 63 -7.587 -5.524 9.791 1.00 42.13 H new ATOM 0 HG SER A 63 -5.938 -4.475 10.599 1.00 73.31 H new ATOM 946 N TYR A 64 -8.831 -1.875 10.484 1.00 23.32 N ATOM 947 CA TYR A 64 -8.734 -0.531 9.916 1.00 74.15 C ATOM 948 C TYR A 64 -7.363 0.082 10.202 1.00 72.23 C ATOM 949 O TYR A 64 -7.215 1.305 10.259 1.00 72.15 O ATOM 950 CB TYR A 64 -9.929 0.326 10.383 1.00 62.43 C ATOM 951 CG TYR A 64 -11.277 -0.185 9.892 1.00 23.14 C ATOM 952 CD1 TYR A 64 -11.451 -0.428 8.519 1.00 35.54 C ATOM 953 CD2 TYR A 64 -12.342 -0.448 10.777 1.00 33.52 C ATOM 954 CE1 TYR A 64 -12.636 -0.989 8.025 1.00 4.41 C ATOM 955 CE2 TYR A 64 -13.535 -1.024 10.293 1.00 14.40 C ATOM 956 CZ TYR A 64 -13.679 -1.310 8.914 1.00 21.33 C ATOM 957 OH TYR A 64 -14.807 -1.897 8.435 1.00 14.40 O ATOM 0 H TYR A 64 -8.674 -1.896 11.492 1.00 23.32 H new ATOM 0 HA TYR A 64 -8.803 -0.577 8.829 1.00 74.15 H new ATOM 0 HB2 TYR A 64 -9.938 0.359 11.472 1.00 62.43 H new ATOM 0 HB3 TYR A 64 -9.789 1.349 10.034 1.00 62.43 H new ATOM 0 HD1 TYR A 64 -10.656 -0.178 7.832 1.00 35.54 H new ATOM 0 HD2 TYR A 64 -12.245 -0.208 11.826 1.00 33.52 H new ATOM 0 HE1 TYR A 64 -12.749 -1.174 6.967 1.00 4.41 H new ATOM 0 HE2 TYR A 64 -14.341 -1.248 10.976 1.00 14.40 H new ATOM 0 HH TYR A 64 -15.432 -2.056 9.173 1.00 14.40 H new ATOM 967 N LYS A 65 -6.346 -0.767 10.373 1.00 52.31 N ATOM 968 CA LYS A 65 -4.961 -0.346 10.572 1.00 40.23 C ATOM 969 C LYS A 65 -3.943 -1.401 10.149 1.00 51.33 C ATOM 970 O LYS A 65 -2.788 -1.046 9.939 1.00 20.40 O ATOM 971 CB LYS A 65 -4.738 0.090 12.035 1.00 64.23 C ATOM 972 CG LYS A 65 -5.226 -0.923 13.085 1.00 0.13 C ATOM 973 CD LYS A 65 -5.314 -0.278 14.472 1.00 43.11 C ATOM 974 CE LYS A 65 -5.914 -1.298 15.439 1.00 64.44 C ATOM 975 NZ LYS A 65 -6.156 -0.740 16.781 1.00 13.01 N ATOM 0 H LYS A 65 -6.466 -1.780 10.377 1.00 52.31 H new ATOM 0 HA LYS A 65 -4.794 0.508 9.916 1.00 40.23 H new ATOM 0 HB2 LYS A 65 -3.674 0.269 12.189 1.00 64.23 H new ATOM 0 HB3 LYS A 65 -5.248 1.039 12.200 1.00 64.23 H new ATOM 0 HG2 LYS A 65 -6.204 -1.308 12.797 1.00 0.13 H new ATOM 0 HG3 LYS A 65 -4.545 -1.774 13.118 1.00 0.13 H new ATOM 0 HD2 LYS A 65 -4.325 0.030 14.811 1.00 43.11 H new ATOM 0 HD3 LYS A 65 -5.932 0.619 14.435 1.00 43.11 H new ATOM 0 HE2 LYS A 65 -6.854 -1.670 15.030 1.00 64.44 H new ATOM 0 HE3 LYS A 65 -5.242 -2.152 15.522 1.00 64.44 H new ATOM 0 HZ1 LYS A 65 -6.563 -1.475 17.394 1.00 13.01 H new ATOM 0 HZ2 LYS A 65 -5.257 -0.409 17.187 1.00 13.01 H new ATOM 0 HZ3 LYS A 65 -6.819 0.058 16.711 1.00 13.01 H new ATOM 989 N GLU A 66 -4.320 -2.673 10.017 1.00 13.00 N ATOM 990 CA GLU A 66 -3.347 -3.756 9.903 1.00 34.10 C ATOM 991 C GLU A 66 -3.901 -4.909 9.084 1.00 13.14 C ATOM 992 O GLU A 66 -5.091 -5.212 9.199 1.00 72.11 O ATOM 993 CB GLU A 66 -3.034 -4.275 11.321 1.00 11.01 C ATOM 994 CG GLU A 66 -1.727 -3.717 11.895 1.00 20.50 C ATOM 995 CD GLU A 66 -1.665 -3.651 13.430 1.00 13.01 C ATOM 996 OE1 GLU A 66 -2.642 -4.062 14.107 1.00 62.42 O ATOM 997 OE2 GLU A 66 -0.630 -3.171 13.942 1.00 53.11 O ATOM 0 H GLU A 66 -5.293 -2.977 9.987 1.00 13.00 H new ATOM 0 HA GLU A 66 -2.454 -3.374 9.409 1.00 34.10 H new ATOM 0 HB2 GLU A 66 -3.856 -4.013 11.986 1.00 11.01 H new ATOM 0 HB3 GLU A 66 -2.977 -5.363 11.298 1.00 11.01 H new ATOM 0 HG2 GLU A 66 -0.900 -4.332 11.539 1.00 20.50 H new ATOM 0 HG3 GLU A 66 -1.572 -2.714 11.497 1.00 20.50 H new ATOM 1004 N PHE A 67 -3.045 -5.591 8.320 1.00 63.35 N ATOM 1005 CA PHE A 67 -3.431 -6.785 7.574 1.00 4.22 C ATOM 1006 C PHE A 67 -2.254 -7.753 7.441 1.00 61.44 C ATOM 1007 O PHE A 67 -1.305 -7.466 6.709 1.00 32.51 O ATOM 1008 CB PHE A 67 -3.999 -6.390 6.203 1.00 15.14 C ATOM 1009 CG PHE A 67 -4.771 -7.510 5.533 1.00 40.21 C ATOM 1010 CD1 PHE A 67 -4.086 -8.509 4.810 1.00 0.43 C ATOM 1011 CD2 PHE A 67 -6.177 -7.559 5.637 1.00 4.22 C ATOM 1012 CE1 PHE A 67 -4.808 -9.545 4.189 1.00 52.44 C ATOM 1013 CE2 PHE A 67 -6.891 -8.581 4.985 1.00 32.24 C ATOM 1014 CZ PHE A 67 -6.211 -9.577 4.266 1.00 61.23 C ATOM 0 H PHE A 67 -2.066 -5.329 8.203 1.00 63.35 H new ATOM 0 HA PHE A 67 -4.213 -7.306 8.126 1.00 4.22 H new ATOM 0 HB2 PHE A 67 -4.654 -5.527 6.323 1.00 15.14 H new ATOM 0 HB3 PHE A 67 -3.181 -6.081 5.553 1.00 15.14 H new ATOM 0 HD1 PHE A 67 -3.009 -8.479 4.733 1.00 0.43 H new ATOM 0 HD2 PHE A 67 -6.704 -6.814 6.215 1.00 4.22 H new ATOM 0 HE1 PHE A 67 -4.282 -10.319 3.651 1.00 52.44 H new ATOM 0 HE2 PHE A 67 -7.970 -8.600 5.038 1.00 32.24 H new ATOM 0 HZ PHE A 67 -6.763 -10.364 3.774 1.00 61.23 H new ATOM 1024 N ASP A 68 -2.304 -8.892 8.134 1.00 14.22 N ATOM 1025 CA ASP A 68 -1.405 -10.028 7.945 1.00 71.12 C ATOM 1026 C ASP A 68 -1.969 -10.898 6.821 1.00 73.51 C ATOM 1027 O ASP A 68 -2.946 -11.629 7.007 1.00 14.11 O ATOM 1028 CB ASP A 68 -1.135 -10.828 9.245 1.00 74.44 C ATOM 1029 CG ASP A 68 -1.976 -10.454 10.466 1.00 2.24 C ATOM 1030 OD1 ASP A 68 -1.643 -9.441 11.126 1.00 1.10 O ATOM 1031 OD2 ASP A 68 -2.969 -11.168 10.731 1.00 32.50 O ATOM 0 H ASP A 68 -2.995 -9.053 8.867 1.00 14.22 H new ATOM 0 HA ASP A 68 -0.421 -9.654 7.662 1.00 71.12 H new ATOM 0 HB2 ASP A 68 -1.293 -11.885 9.033 1.00 74.44 H new ATOM 0 HB3 ASP A 68 -0.083 -10.709 9.506 1.00 74.44 H new ATOM 1036 N GLY A 69 -1.361 -10.800 5.638 1.00 60.51 N ATOM 1037 CA GLY A 69 -1.736 -11.511 4.426 1.00 34.51 C ATOM 1038 C GLY A 69 -0.704 -12.583 4.110 1.00 24.34 C ATOM 1039 O GLY A 69 -0.215 -12.641 2.985 1.00 75.41 O ATOM 0 H GLY A 69 -0.555 -10.191 5.498 1.00 60.51 H new ATOM 0 HA2 GLY A 69 -2.718 -11.966 4.551 1.00 34.51 H new ATOM 0 HA3 GLY A 69 -1.812 -10.812 3.593 1.00 34.51 H new ATOM 1043 N GLY A 70 -0.316 -13.383 5.109 1.00 0.14 N ATOM 1044 CA GLY A 70 0.685 -14.438 5.006 1.00 51.24 C ATOM 1045 C GLY A 70 2.025 -13.888 4.526 1.00 72.35 C ATOM 1046 O GLY A 70 2.805 -13.369 5.323 1.00 32.43 O ATOM 0 H GLY A 70 -0.709 -13.306 6.047 1.00 0.14 H new ATOM 0 HA2 GLY A 70 0.813 -14.916 5.977 1.00 51.24 H new ATOM 0 HA3 GLY A 70 0.337 -15.206 4.316 1.00 51.24 H new ATOM 1050 N TRP A 71 2.260 -13.925 3.214 1.00 64.41 N ATOM 1051 CA TRP A 71 3.441 -13.402 2.528 1.00 52.41 C ATOM 1052 C TRP A 71 3.462 -11.868 2.445 1.00 63.43 C ATOM 1053 O TRP A 71 4.241 -11.303 1.676 1.00 3.43 O ATOM 1054 CB TRP A 71 3.549 -14.085 1.149 1.00 22.30 C ATOM 1055 CG TRP A 71 2.425 -13.920 0.156 1.00 3.44 C ATOM 1056 CD1 TRP A 71 1.281 -14.642 0.122 1.00 11.40 C ATOM 1057 CD2 TRP A 71 2.375 -13.064 -1.027 1.00 24.44 C ATOM 1058 NE1 TRP A 71 0.523 -14.282 -0.980 1.00 2.10 N ATOM 1059 CE2 TRP A 71 1.171 -13.332 -1.746 1.00 74.54 C ATOM 1060 CE3 TRP A 71 3.253 -12.115 -1.586 1.00 55.44 C ATOM 1061 CZ2 TRP A 71 0.854 -12.671 -2.950 1.00 21.43 C ATOM 1062 CZ3 TRP A 71 2.956 -11.462 -2.797 1.00 23.41 C ATOM 1063 CH2 TRP A 71 1.764 -11.744 -3.484 1.00 21.20 C ATOM 0 H TRP A 71 1.594 -14.344 2.566 1.00 64.41 H new ATOM 0 HA TRP A 71 4.327 -13.645 3.114 1.00 52.41 H new ATOM 0 HB2 TRP A 71 4.462 -13.724 0.675 1.00 22.30 H new ATOM 0 HB3 TRP A 71 3.680 -15.153 1.321 1.00 22.30 H new ATOM 0 HD1 TRP A 71 1.000 -15.390 0.848 1.00 11.40 H new ATOM 0 HE1 TRP A 71 -0.395 -14.668 -1.198 1.00 2.10 H new ATOM 0 HE3 TRP A 71 4.175 -11.883 -1.074 1.00 55.44 H new ATOM 0 HZ2 TRP A 71 -0.078 -12.875 -3.456 1.00 21.43 H new ATOM 0 HZ3 TRP A 71 3.650 -10.739 -3.201 1.00 23.41 H new ATOM 0 HH2 TRP A 71 1.548 -11.250 -4.420 1.00 21.20 H new ATOM 1074 N TYR A 72 2.615 -11.188 3.215 1.00 71.32 N ATOM 1075 CA TYR A 72 2.388 -9.757 3.171 1.00 62.13 C ATOM 1076 C TYR A 72 2.061 -9.278 4.586 1.00 71.45 C ATOM 1077 O TYR A 72 1.424 -10.018 5.349 1.00 52.01 O ATOM 1078 CB TYR A 72 1.203 -9.534 2.226 1.00 42.43 C ATOM 1079 CG TYR A 72 1.201 -8.211 1.502 1.00 62.33 C ATOM 1080 CD1 TYR A 72 2.070 -8.034 0.409 1.00 24.14 C ATOM 1081 CD2 TYR A 72 0.255 -7.222 1.825 1.00 15.01 C ATOM 1082 CE1 TYR A 72 2.003 -6.867 -0.365 1.00 54.42 C ATOM 1083 CE2 TYR A 72 0.173 -6.058 1.046 1.00 63.14 C ATOM 1084 CZ TYR A 72 1.049 -5.880 -0.047 1.00 12.30 C ATOM 1085 OH TYR A 72 0.966 -4.753 -0.793 1.00 4.02 O ATOM 0 H TYR A 72 2.042 -11.650 3.921 1.00 71.32 H new ATOM 0 HA TYR A 72 3.258 -9.204 2.816 1.00 62.13 H new ATOM 0 HB2 TYR A 72 1.192 -10.335 1.487 1.00 42.43 H new ATOM 0 HB3 TYR A 72 0.280 -9.618 2.800 1.00 42.43 H new ATOM 0 HD1 TYR A 72 2.791 -8.800 0.166 1.00 24.14 H new ATOM 0 HD2 TYR A 72 -0.405 -7.358 2.669 1.00 15.01 H new ATOM 0 HE1 TYR A 72 2.676 -6.726 -1.197 1.00 54.42 H new ATOM 0 HE2 TYR A 72 -0.559 -5.300 1.282 1.00 63.14 H new ATOM 0 HH TYR A 72 1.591 -4.812 -1.545 1.00 4.02 H new ATOM 1095 N LEU A 73 2.459 -8.059 4.960 1.00 43.33 N ATOM 1096 CA LEU A 73 2.101 -7.479 6.255 1.00 1.24 C ATOM 1097 C LEU A 73 1.929 -5.975 6.136 1.00 1.04 C ATOM 1098 O LEU A 73 2.931 -5.287 5.956 1.00 22.44 O ATOM 1099 CB LEU A 73 3.177 -7.797 7.314 1.00 61.32 C ATOM 1100 CG LEU A 73 2.696 -7.548 8.764 1.00 74.32 C ATOM 1101 CD1 LEU A 73 1.377 -8.250 9.085 1.00 60.42 C ATOM 1102 CD2 LEU A 73 3.716 -8.067 9.782 1.00 13.01 C ATOM 0 H LEU A 73 3.034 -7.451 4.377 1.00 43.33 H new ATOM 0 HA LEU A 73 1.156 -7.921 6.571 1.00 1.24 H new ATOM 0 HB2 LEU A 73 3.481 -8.839 7.213 1.00 61.32 H new ATOM 0 HB3 LEU A 73 4.060 -7.187 7.121 1.00 61.32 H new ATOM 0 HG LEU A 73 2.568 -6.468 8.834 1.00 74.32 H new ATOM 0 HD11 LEU A 73 1.093 -8.037 10.116 1.00 60.42 H new ATOM 0 HD12 LEU A 73 0.599 -7.889 8.412 1.00 60.42 H new ATOM 0 HD13 LEU A 73 1.497 -9.326 8.957 1.00 60.42 H new ATOM 0 HD21 LEU A 73 3.351 -7.878 10.792 1.00 13.01 H new ATOM 0 HD22 LEU A 73 3.857 -9.139 9.642 1.00 13.01 H new ATOM 0 HD23 LEU A 73 4.667 -7.554 9.638 1.00 13.01 H new ATOM 1114 N VAL A 74 0.707 -5.461 6.242 1.00 13.10 N ATOM 1115 CA VAL A 74 0.415 -4.029 6.186 1.00 2.42 C ATOM 1116 C VAL A 74 0.221 -3.512 7.611 1.00 71.14 C ATOM 1117 O VAL A 74 -0.453 -4.178 8.401 1.00 20.24 O ATOM 1118 CB VAL A 74 -0.833 -3.766 5.316 1.00 51.14 C ATOM 1119 CG1 VAL A 74 -0.924 -2.274 4.987 1.00 4.11 C ATOM 1120 CG2 VAL A 74 -0.769 -4.531 3.988 1.00 72.41 C ATOM 0 H VAL A 74 -0.124 -6.037 6.372 1.00 13.10 H new ATOM 0 HA VAL A 74 1.247 -3.497 5.725 1.00 2.42 H new ATOM 0 HB VAL A 74 -1.701 -4.102 5.884 1.00 51.14 H new ATOM 0 HG11 VAL A 74 -1.805 -2.090 4.373 1.00 4.11 H new ATOM 0 HG12 VAL A 74 -1.000 -1.702 5.911 1.00 4.11 H new ATOM 0 HG13 VAL A 74 -0.031 -1.966 4.442 1.00 4.11 H new ATOM 0 HG21 VAL A 74 -1.665 -4.321 3.403 1.00 72.41 H new ATOM 0 HG22 VAL A 74 0.112 -4.216 3.429 1.00 72.41 H new ATOM 0 HG23 VAL A 74 -0.709 -5.601 4.187 1.00 72.41 H new ATOM 1130 N LYS A 75 0.788 -2.343 7.939 1.00 0.00 N ATOM 1131 CA LYS A 75 0.705 -1.721 9.264 1.00 61.24 C ATOM 1132 C LYS A 75 0.624 -0.201 9.131 1.00 13.10 C ATOM 1133 O LYS A 75 1.480 0.386 8.469 1.00 72.22 O ATOM 1134 CB LYS A 75 1.945 -2.110 10.089 1.00 0.42 C ATOM 1135 CG LYS A 75 1.777 -3.472 10.779 1.00 74.24 C ATOM 1136 CD LYS A 75 3.031 -3.972 11.499 1.00 32.10 C ATOM 1137 CE LYS A 75 4.161 -4.331 10.527 1.00 43.35 C ATOM 1138 NZ LYS A 75 5.439 -4.583 11.222 1.00 62.25 N ATOM 0 H LYS A 75 1.330 -1.792 7.273 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.194 -2.074 9.769 1.00 61.24 H new ATOM 0 HB2 LYS A 75 2.818 -2.140 9.438 1.00 0.42 H new ATOM 0 HB3 LYS A 75 2.134 -1.344 10.841 1.00 0.42 H new ATOM 0 HG2 LYS A 75 0.962 -3.403 11.499 1.00 74.24 H new ATOM 0 HG3 LYS A 75 1.482 -4.210 10.033 1.00 74.24 H new ATOM 0 HD2 LYS A 75 3.380 -3.204 12.190 1.00 32.10 H new ATOM 0 HD3 LYS A 75 2.778 -4.848 12.097 1.00 32.10 H new ATOM 0 HE2 LYS A 75 3.879 -5.216 9.957 1.00 43.35 H new ATOM 0 HE3 LYS A 75 4.293 -3.520 9.811 1.00 43.35 H new ATOM 0 HZ1 LYS A 75 6.172 -4.822 10.524 1.00 62.25 H new ATOM 0 HZ2 LYS A 75 5.723 -3.731 11.745 1.00 62.25 H new ATOM 0 HZ3 LYS A 75 5.323 -5.375 11.886 1.00 62.25 H new ATOM 1152 N ILE A 76 -0.377 0.418 9.764 1.00 60.11 N ATOM 1153 CA ILE A 76 -0.625 1.857 9.857 1.00 44.03 C ATOM 1154 C ILE A 76 -0.424 2.219 11.335 1.00 61.54 C ATOM 1155 O ILE A 76 -1.247 1.826 12.165 1.00 20.40 O ATOM 1156 CB ILE A 76 -2.075 2.194 9.387 1.00 54.24 C ATOM 1157 CG1 ILE A 76 -2.319 1.833 7.908 1.00 60.23 C ATOM 1158 CG2 ILE A 76 -2.430 3.680 9.582 1.00 4.22 C ATOM 1159 CD1 ILE A 76 -3.748 2.049 7.403 1.00 24.41 C ATOM 0 H ILE A 76 -1.089 -0.116 10.262 1.00 60.11 H new ATOM 0 HA ILE A 76 0.048 2.427 9.216 1.00 44.03 H new ATOM 0 HB ILE A 76 -2.718 1.582 10.019 1.00 54.24 H new ATOM 0 HG12 ILE A 76 -1.641 2.424 7.292 1.00 60.23 H new ATOM 0 HG13 ILE A 76 -2.054 0.786 7.759 1.00 60.23 H new ATOM 0 HG21 ILE A 76 -3.449 3.859 9.239 1.00 4.22 H new ATOM 0 HG22 ILE A 76 -2.353 3.937 10.638 1.00 4.22 H new ATOM 0 HG23 ILE A 76 -1.740 4.297 9.007 1.00 4.22 H new ATOM 0 HD11 ILE A 76 -3.810 1.764 6.353 1.00 24.41 H new ATOM 0 HD12 ILE A 76 -4.436 1.437 7.986 1.00 24.41 H new ATOM 0 HD13 ILE A 76 -4.017 3.100 7.511 1.00 24.41 H new ATOM 1171 N GLU A 77 0.622 2.974 11.687 1.00 22.34 N ATOM 1172 CA GLU A 77 0.761 3.639 12.980 1.00 62.15 C ATOM 1173 C GLU A 77 1.122 5.105 12.712 1.00 35.20 C ATOM 1174 O GLU A 77 1.901 5.384 11.794 1.00 23.32 O ATOM 1175 CB GLU A 77 1.837 2.962 13.821 1.00 62.11 C ATOM 1176 CG GLU A 77 1.403 1.610 14.402 1.00 32.41 C ATOM 1177 CD GLU A 77 0.484 1.687 15.624 1.00 52.44 C ATOM 1178 OE1 GLU A 77 -0.408 2.563 15.692 1.00 75.25 O ATOM 1179 OE2 GLU A 77 0.636 0.845 16.537 1.00 75.51 O ATOM 0 H GLU A 77 1.412 3.141 11.064 1.00 22.34 H new ATOM 0 HA GLU A 77 -0.172 3.577 13.540 1.00 62.15 H new ATOM 0 HB2 GLU A 77 2.727 2.816 13.208 1.00 62.11 H new ATOM 0 HB3 GLU A 77 2.118 3.626 14.639 1.00 62.11 H new ATOM 0 HG2 GLU A 77 0.895 1.044 13.621 1.00 32.41 H new ATOM 0 HG3 GLU A 77 2.296 1.047 14.674 1.00 32.41 H new ATOM 1186 N ASP A 78 0.543 6.022 13.493 1.00 42.42 N ATOM 1187 CA ASP A 78 0.465 7.480 13.273 1.00 63.43 C ATOM 1188 C ASP A 78 0.074 7.813 11.827 1.00 41.42 C ATOM 1189 O ASP A 78 -1.105 7.923 11.518 1.00 72.44 O ATOM 1190 CB ASP A 78 1.746 8.209 13.725 1.00 12.14 C ATOM 1191 CG ASP A 78 1.685 9.740 13.594 1.00 42.30 C ATOM 1192 OD1 ASP A 78 0.635 10.376 13.803 1.00 32.32 O ATOM 1193 OD2 ASP A 78 2.766 10.358 13.449 1.00 4.02 O ATOM 0 H ASP A 78 0.081 5.751 14.361 1.00 42.42 H new ATOM 0 HA ASP A 78 -0.335 7.858 13.909 1.00 63.43 H new ATOM 0 HB2 ASP A 78 1.947 7.953 14.765 1.00 12.14 H new ATOM 0 HB3 ASP A 78 2.586 7.839 13.138 1.00 12.14 H new ATOM 1198 N ASN A 79 1.054 7.887 10.925 1.00 23.11 N ATOM 1199 CA ASN A 79 0.889 8.216 9.518 1.00 21.42 C ATOM 1200 C ASN A 79 1.973 7.599 8.615 1.00 35.35 C ATOM 1201 O ASN A 79 1.992 7.882 7.414 1.00 74.14 O ATOM 1202 CB ASN A 79 0.923 9.731 9.369 1.00 63.33 C ATOM 1203 CG ASN A 79 2.324 10.290 9.526 1.00 22.22 C ATOM 1204 OD1 ASN A 79 3.135 9.807 10.314 1.00 53.43 O ATOM 1205 ND2 ASN A 79 2.666 11.298 8.751 1.00 32.14 N ATOM 0 H ASN A 79 2.028 7.710 11.172 1.00 23.11 H new ATOM 0 HA ASN A 79 -0.065 7.798 9.196 1.00 21.42 H new ATOM 0 HB2 ASN A 79 0.531 10.007 8.390 1.00 63.33 H new ATOM 0 HB3 ASN A 79 0.268 10.183 10.114 1.00 63.33 H new ATOM 0 HD21 ASN A 79 3.609 11.683 8.802 1.00 32.14 H new ATOM 0 HD22 ASN A 79 1.988 11.694 8.100 1.00 32.14 H new ATOM 1212 N GLU A 80 2.892 6.803 9.175 1.00 53.12 N ATOM 1213 CA GLU A 80 3.818 5.987 8.406 1.00 40.42 C ATOM 1214 C GLU A 80 3.158 4.633 8.177 1.00 22.10 C ATOM 1215 O GLU A 80 3.231 3.746 9.031 1.00 34.20 O ATOM 1216 CB GLU A 80 5.174 5.852 9.117 1.00 73.13 C ATOM 1217 CG GLU A 80 6.096 7.048 8.838 1.00 43.00 C ATOM 1218 CD GLU A 80 7.583 6.736 9.057 1.00 20.21 C ATOM 1219 OE1 GLU A 80 7.914 5.891 9.921 1.00 1.03 O ATOM 1220 OE2 GLU A 80 8.425 7.366 8.375 1.00 15.44 O ATOM 0 H GLU A 80 3.009 6.712 10.184 1.00 53.12 H new ATOM 0 HA GLU A 80 4.032 6.460 7.448 1.00 40.42 H new ATOM 0 HB2 GLU A 80 5.012 5.763 10.191 1.00 73.13 H new ATOM 0 HB3 GLU A 80 5.663 4.934 8.791 1.00 73.13 H new ATOM 0 HG2 GLU A 80 5.949 7.378 7.810 1.00 43.00 H new ATOM 0 HG3 GLU A 80 5.808 7.878 9.483 1.00 43.00 H new ATOM 1227 N LEU A 81 2.497 4.489 7.031 1.00 0.22 N ATOM 1228 CA LEU A 81 2.020 3.205 6.540 1.00 0.12 C ATOM 1229 C LEU A 81 3.212 2.473 5.946 1.00 20.21 C ATOM 1230 O LEU A 81 4.056 3.094 5.300 1.00 12.42 O ATOM 1231 CB LEU A 81 0.920 3.476 5.507 1.00 52.41 C ATOM 1232 CG LEU A 81 0.268 2.291 4.768 1.00 52.33 C ATOM 1233 CD1 LEU A 81 0.967 1.925 3.463 1.00 42.33 C ATOM 1234 CD2 LEU A 81 0.071 1.024 5.598 1.00 15.41 C ATOM 0 H LEU A 81 2.277 5.270 6.413 1.00 0.22 H new ATOM 0 HA LEU A 81 1.594 2.581 7.326 1.00 0.12 H new ATOM 0 HB2 LEU A 81 0.125 4.024 6.012 1.00 52.41 H new ATOM 0 HB3 LEU A 81 1.337 4.143 4.752 1.00 52.41 H new ATOM 0 HG LEU A 81 -0.723 2.687 4.548 1.00 52.33 H new ATOM 0 HD11 LEU A 81 0.453 1.083 2.999 1.00 42.33 H new ATOM 0 HD12 LEU A 81 0.947 2.780 2.787 1.00 42.33 H new ATOM 0 HD13 LEU A 81 2.001 1.650 3.669 1.00 42.33 H new ATOM 0 HD21 LEU A 81 -0.394 0.254 4.982 1.00 15.41 H new ATOM 0 HD22 LEU A 81 1.038 0.668 5.954 1.00 15.41 H new ATOM 0 HD23 LEU A 81 -0.571 1.244 6.451 1.00 15.41 H new ATOM 1246 N LYS A 82 3.323 1.165 6.147 1.00 15.11 N ATOM 1247 CA LYS A 82 4.384 0.361 5.553 1.00 0.41 C ATOM 1248 C LYS A 82 3.861 -1.016 5.194 1.00 3.21 C ATOM 1249 O LYS A 82 2.811 -1.440 5.685 1.00 71.52 O ATOM 1250 CB LYS A 82 5.551 0.275 6.544 1.00 20.34 C ATOM 1251 CG LYS A 82 5.162 -0.547 7.776 1.00 42.04 C ATOM 1252 CD LYS A 82 6.056 -0.249 8.965 1.00 0.12 C ATOM 1253 CE LYS A 82 5.482 0.943 9.728 1.00 75.25 C ATOM 1254 NZ LYS A 82 6.236 1.229 10.956 1.00 61.51 N ATOM 0 H LYS A 82 2.677 0.631 6.728 1.00 15.11 H new ATOM 0 HA LYS A 82 4.735 0.826 4.632 1.00 0.41 H new ATOM 0 HB2 LYS A 82 6.414 -0.179 6.057 1.00 20.34 H new ATOM 0 HB3 LYS A 82 5.848 1.278 6.850 1.00 20.34 H new ATOM 0 HG2 LYS A 82 4.126 -0.336 8.040 1.00 42.04 H new ATOM 0 HG3 LYS A 82 5.220 -1.609 7.536 1.00 42.04 H new ATOM 0 HD2 LYS A 82 6.118 -1.120 9.618 1.00 0.12 H new ATOM 0 HD3 LYS A 82 7.069 -0.029 8.629 1.00 0.12 H new ATOM 0 HE2 LYS A 82 5.491 1.823 9.085 1.00 75.25 H new ATOM 0 HE3 LYS A 82 4.441 0.743 9.981 1.00 75.25 H new ATOM 0 HZ1 LYS A 82 5.812 2.045 11.442 1.00 61.51 H new ATOM 0 HZ2 LYS A 82 6.207 0.399 11.583 1.00 61.51 H new ATOM 0 HZ3 LYS A 82 7.224 1.445 10.714 1.00 61.51 H new ATOM 1268 N VAL A 83 4.643 -1.725 4.387 1.00 21.13 N ATOM 1269 CA VAL A 83 4.433 -3.133 4.132 1.00 23.53 C ATOM 1270 C VAL A 83 5.760 -3.793 3.779 1.00 32.52 C ATOM 1271 O VAL A 83 6.577 -3.214 3.047 1.00 15.13 O ATOM 1272 CB VAL A 83 3.305 -3.344 3.093 1.00 62.12 C ATOM 1273 CG1 VAL A 83 3.372 -2.417 1.872 1.00 34.33 C ATOM 1274 CG2 VAL A 83 3.286 -4.774 2.545 1.00 54.25 C ATOM 0 H VAL A 83 5.443 -1.331 3.892 1.00 21.13 H new ATOM 0 HA VAL A 83 4.077 -3.634 5.032 1.00 23.53 H new ATOM 0 HB VAL A 83 2.405 -3.115 3.664 1.00 62.12 H new ATOM 0 HG11 VAL A 83 2.542 -2.639 1.201 1.00 34.33 H new ATOM 0 HG12 VAL A 83 3.307 -1.379 2.199 1.00 34.33 H new ATOM 0 HG13 VAL A 83 4.315 -2.574 1.348 1.00 34.33 H new ATOM 0 HG21 VAL A 83 2.479 -4.875 1.820 1.00 54.25 H new ATOM 0 HG22 VAL A 83 4.238 -4.991 2.060 1.00 54.25 H new ATOM 0 HG23 VAL A 83 3.128 -5.475 3.364 1.00 54.25 H new ATOM 1284 N ILE A 84 5.956 -5.019 4.274 1.00 3.21 N ATOM 1285 CA ILE A 84 7.024 -5.914 3.884 1.00 54.33 C ATOM 1286 C ILE A 84 6.365 -7.151 3.263 1.00 55.01 C ATOM 1287 O ILE A 84 5.216 -7.486 3.575 1.00 42.43 O ATOM 1288 CB ILE A 84 7.901 -6.158 5.132 1.00 53.33 C ATOM 1289 CG1 ILE A 84 8.632 -4.841 5.501 1.00 33.12 C ATOM 1290 CG2 ILE A 84 8.937 -7.274 4.932 1.00 12.01 C ATOM 1291 CD1 ILE A 84 8.062 -4.090 6.702 1.00 12.10 C ATOM 0 H ILE A 84 5.345 -5.421 4.985 1.00 3.21 H new ATOM 0 HA ILE A 84 7.702 -5.523 3.125 1.00 54.33 H new ATOM 0 HB ILE A 84 7.238 -6.480 5.935 1.00 53.33 H new ATOM 0 HG12 ILE A 84 9.679 -5.070 5.701 1.00 33.12 H new ATOM 0 HG13 ILE A 84 8.610 -4.178 4.636 1.00 33.12 H new ATOM 0 HG21 ILE A 84 9.521 -7.396 5.844 1.00 12.01 H new ATOM 0 HG22 ILE A 84 8.425 -8.208 4.701 1.00 12.01 H new ATOM 0 HG23 ILE A 84 9.601 -7.011 4.109 1.00 12.01 H new ATOM 0 HD11 ILE A 84 8.644 -3.185 6.875 1.00 12.10 H new ATOM 0 HD12 ILE A 84 7.024 -3.821 6.504 1.00 12.10 H new ATOM 0 HD13 ILE A 84 8.110 -4.727 7.585 1.00 12.10 H new ATOM 1303 N ILE A 85 7.084 -7.778 2.331 1.00 74.14 N ATOM 1304 CA ILE A 85 6.595 -8.834 1.448 1.00 42.11 C ATOM 1305 C ILE A 85 7.597 -9.983 1.518 1.00 75.53 C ATOM 1306 O ILE A 85 8.794 -9.731 1.398 1.00 14.31 O ATOM 1307 CB ILE A 85 6.448 -8.301 0.002 1.00 22.40 C ATOM 1308 CG1 ILE A 85 5.640 -6.984 -0.030 1.00 52.24 C ATOM 1309 CG2 ILE A 85 5.808 -9.378 -0.899 1.00 0.44 C ATOM 1310 CD1 ILE A 85 5.455 -6.401 -1.430 1.00 44.43 C ATOM 0 H ILE A 85 8.065 -7.553 2.165 1.00 74.14 H new ATOM 0 HA ILE A 85 5.609 -9.180 1.760 1.00 42.11 H new ATOM 0 HB ILE A 85 7.441 -8.077 -0.386 1.00 22.40 H new ATOM 0 HG12 ILE A 85 4.659 -7.161 0.411 1.00 52.24 H new ATOM 0 HG13 ILE A 85 6.142 -6.246 0.596 1.00 52.24 H new ATOM 0 HG21 ILE A 85 5.710 -8.992 -1.914 1.00 0.44 H new ATOM 0 HG22 ILE A 85 6.439 -10.267 -0.908 1.00 0.44 H new ATOM 0 HG23 ILE A 85 4.822 -9.637 -0.512 1.00 0.44 H new ATOM 0 HD11 ILE A 85 4.878 -5.478 -1.367 1.00 44.43 H new ATOM 0 HD12 ILE A 85 6.431 -6.190 -1.868 1.00 44.43 H new ATOM 0 HD13 ILE A 85 4.924 -7.118 -2.056 1.00 44.43 H new ATOM 1322 N ASN A 86 7.107 -11.209 1.715 1.00 72.31 N ATOM 1323 CA ASN A 86 7.918 -12.408 1.926 1.00 60.32 C ATOM 1324 C ASN A 86 8.292 -13.051 0.596 1.00 55.15 C ATOM 1325 O ASN A 86 7.653 -12.811 -0.432 1.00 63.45 O ATOM 1326 CB ASN A 86 7.157 -13.456 2.765 1.00 75.45 C ATOM 1327 CG ASN A 86 6.722 -13.023 4.164 1.00 31.42 C ATOM 1328 OD1 ASN A 86 5.994 -13.732 4.852 1.00 34.53 O ATOM 1329 ND2 ASN A 86 7.119 -11.863 4.636 1.00 62.12 N ATOM 0 H ASN A 86 6.105 -11.399 1.732 1.00 72.31 H new ATOM 0 HA ASN A 86 8.817 -12.093 2.456 1.00 60.32 H new ATOM 0 HB2 ASN A 86 6.269 -13.758 2.210 1.00 75.45 H new ATOM 0 HB3 ASN A 86 7.788 -14.339 2.862 1.00 75.45 H new ATOM 0 HD21 ASN A 86 6.822 -11.561 5.564 1.00 62.12 H new ATOM 0 HD22 ASN A 86 7.724 -11.264 4.074 1.00 62.12 H new ATOM 1336 N ARG A 87 9.288 -13.937 0.637 1.00 61.24 N ATOM 1337 CA ARG A 87 9.754 -14.688 -0.519 1.00 51.23 C ATOM 1338 C ARG A 87 8.710 -15.702 -0.969 1.00 74.52 C ATOM 1339 O ARG A 87 8.215 -16.511 -0.173 1.00 55.11 O ATOM 1340 CB ARG A 87 11.115 -15.345 -0.227 1.00 54.41 C ATOM 1341 CG ARG A 87 11.658 -16.055 -1.478 1.00 44.14 C ATOM 1342 CD ARG A 87 11.245 -17.521 -1.605 1.00 42.02 C ATOM 1343 NE ARG A 87 12.393 -18.429 -1.648 1.00 32.21 N ATOM 1344 CZ ARG A 87 12.842 -19.246 -0.699 1.00 44.42 C ATOM 1345 NH1 ARG A 87 12.344 -19.198 0.531 1.00 32.13 N ATOM 1346 NH2 ARG A 87 13.805 -20.100 -1.013 1.00 62.13 N ATOM 0 H ARG A 87 9.800 -14.153 1.492 1.00 61.24 H new ATOM 0 HA ARG A 87 9.900 -13.995 -1.347 1.00 51.23 H new ATOM 0 HB2 ARG A 87 11.826 -14.588 0.104 1.00 54.41 H new ATOM 0 HB3 ARG A 87 11.011 -16.062 0.587 1.00 54.41 H new ATOM 0 HG2 ARG A 87 11.317 -15.517 -2.362 1.00 44.14 H new ATOM 0 HG3 ARG A 87 12.746 -15.997 -1.469 1.00 44.14 H new ATOM 0 HD2 ARG A 87 10.606 -17.789 -0.763 1.00 42.02 H new ATOM 0 HD3 ARG A 87 10.651 -17.650 -2.510 1.00 42.02 H new ATOM 0 HE ARG A 87 12.918 -18.436 -2.522 1.00 32.21 H new ATOM 0 HH11 ARG A 87 11.608 -18.529 0.758 1.00 32.13 H new ATOM 0 HH12 ARG A 87 12.697 -19.830 1.249 1.00 32.13 H new ATOM 0 HH21 ARG A 87 14.181 -20.118 -1.961 1.00 62.13 H new ATOM 0 HH22 ARG A 87 14.170 -20.739 -0.307 1.00 62.13 H new ATOM 1360 N ASN A 88 8.457 -15.692 -2.270 1.00 42.44 N ATOM 1361 CA ASN A 88 7.492 -16.488 -2.994 1.00 33.11 C ATOM 1362 C ASN A 88 7.922 -17.939 -3.097 1.00 32.33 C ATOM 1363 O ASN A 88 8.914 -18.225 -3.751 1.00 71.22 O ATOM 1364 CB ASN A 88 7.333 -15.887 -4.399 1.00 51.15 C ATOM 1365 CG ASN A 88 6.249 -16.536 -5.243 1.00 40.25 C ATOM 1366 OD1 ASN A 88 5.628 -17.531 -4.879 1.00 42.43 O ATOM 1367 ND2 ASN A 88 6.002 -15.984 -6.414 1.00 61.32 N ATOM 0 H ASN A 88 8.970 -15.070 -2.895 1.00 42.44 H new ATOM 0 HA ASN A 88 6.544 -16.472 -2.456 1.00 33.11 H new ATOM 0 HB2 ASN A 88 7.113 -14.824 -4.303 1.00 51.15 H new ATOM 0 HB3 ASN A 88 8.284 -15.969 -4.925 1.00 51.15 H new ATOM 0 HD21 ASN A 88 5.290 -16.383 -7.026 1.00 61.32 H new ATOM 0 HD22 ASN A 88 6.523 -15.158 -6.708 1.00 61.32 H new ATOM 1374 N GLU A 89 7.203 -18.875 -2.483 1.00 40.34 N ATOM 1375 CA GLU A 89 7.570 -20.289 -2.569 1.00 41.01 C ATOM 1376 C GLU A 89 7.069 -20.974 -3.847 1.00 13.30 C ATOM 1377 O GLU A 89 7.014 -22.203 -3.891 1.00 41.25 O ATOM 1378 CB GLU A 89 7.146 -21.039 -1.299 1.00 42.22 C ATOM 1379 CG GLU A 89 5.641 -21.121 -1.036 1.00 71.34 C ATOM 1380 CD GLU A 89 5.383 -22.080 0.125 1.00 32.42 C ATOM 1381 OE1 GLU A 89 5.926 -21.850 1.232 1.00 73.21 O ATOM 1382 OE2 GLU A 89 4.627 -23.065 -0.050 1.00 22.33 O ATOM 0 H GLU A 89 6.370 -18.685 -1.925 1.00 40.34 H new ATOM 0 HA GLU A 89 8.657 -20.329 -2.637 1.00 41.01 H new ATOM 0 HB2 GLU A 89 7.541 -22.054 -1.352 1.00 42.22 H new ATOM 0 HB3 GLU A 89 7.618 -20.558 -0.443 1.00 42.22 H new ATOM 0 HG2 GLU A 89 5.247 -20.132 -0.801 1.00 71.34 H new ATOM 0 HG3 GLU A 89 5.122 -21.466 -1.930 1.00 71.34 H new ATOM 1389 N THR A 90 6.667 -20.223 -4.879 1.00 73.11 N ATOM 1390 CA THR A 90 6.174 -20.817 -6.112 1.00 73.34 C ATOM 1391 C THR A 90 6.808 -20.210 -7.356 1.00 51.05 C ATOM 1392 O THR A 90 7.241 -19.057 -7.390 1.00 22.34 O ATOM 1393 CB THR A 90 4.641 -20.738 -6.194 1.00 33.31 C ATOM 1394 OG1 THR A 90 4.189 -19.400 -6.194 1.00 2.30 O ATOM 1395 CG2 THR A 90 3.945 -21.520 -5.083 1.00 72.44 C ATOM 0 H THR A 90 6.676 -19.203 -4.878 1.00 73.11 H new ATOM 0 HA THR A 90 6.470 -21.866 -6.084 1.00 73.34 H new ATOM 0 HB THR A 90 4.372 -21.204 -7.142 1.00 33.31 H new ATOM 0 HG1 THR A 90 4.865 -18.827 -5.776 1.00 2.30 H new ATOM 0 HG21 THR A 90 2.865 -21.426 -5.194 1.00 72.44 H new ATOM 0 HG22 THR A 90 4.227 -22.571 -5.146 1.00 72.44 H new ATOM 0 HG23 THR A 90 4.246 -21.122 -4.114 1.00 72.44 H new ATOM 1403 N ASN A 91 6.730 -20.994 -8.427 1.00 35.42 N ATOM 1404 CA ASN A 91 6.902 -20.577 -9.811 1.00 4.00 C ATOM 1405 C ASN A 91 5.805 -19.618 -10.299 1.00 50.05 C ATOM 1406 O ASN A 91 5.860 -19.194 -11.452 1.00 24.54 O ATOM 1407 CB ASN A 91 6.922 -21.819 -10.709 1.00 42.04 C ATOM 1408 CG ASN A 91 5.563 -22.493 -10.764 1.00 74.15 C ATOM 1409 OD1 ASN A 91 4.711 -22.187 -11.587 1.00 43.05 O ATOM 1410 ND2 ASN A 91 5.314 -23.392 -9.831 1.00 73.53 N ATOM 0 H ASN A 91 6.534 -21.992 -8.346 1.00 35.42 H new ATOM 0 HA ASN A 91 7.845 -20.033 -9.865 1.00 4.00 H new ATOM 0 HB2 ASN A 91 7.229 -21.535 -11.716 1.00 42.04 H new ATOM 0 HB3 ASN A 91 7.664 -22.525 -10.337 1.00 42.04 H new ATOM 0 HD21 ASN A 91 4.400 -23.843 -9.788 1.00 73.53 H new ATOM 0 HD22 ASN A 91 6.035 -23.636 -9.152 1.00 73.53 H new ATOM 1417 N ALA A 92 4.820 -19.254 -9.469 1.00 54.35 N ATOM 1418 CA ALA A 92 3.713 -18.404 -9.881 1.00 14.44 C ATOM 1419 C ALA A 92 3.953 -16.995 -9.377 1.00 13.21 C ATOM 1420 O ALA A 92 3.985 -16.743 -8.170 1.00 34.22 O ATOM 1421 CB ALA A 92 2.371 -18.920 -9.386 1.00 30.31 C ATOM 0 H ALA A 92 4.775 -19.545 -8.492 1.00 54.35 H new ATOM 0 HA ALA A 92 3.671 -18.411 -10.970 1.00 14.44 H new ATOM 0 HB1 ALA A 92 1.578 -18.251 -9.720 1.00 30.31 H new ATOM 0 HB2 ALA A 92 2.195 -19.919 -9.786 1.00 30.31 H new ATOM 0 HB3 ALA A 92 2.376 -18.961 -8.297 1.00 30.31 H new ATOM 1427 N SER A 93 4.114 -16.086 -10.322 1.00 10.33 N ATOM 1428 CA SER A 93 4.133 -14.665 -10.111 1.00 30.12 C ATOM 1429 C SER A 93 2.708 -14.231 -9.731 1.00 4.10 C ATOM 1430 O SER A 93 1.727 -14.907 -10.061 1.00 12.13 O ATOM 1431 CB SER A 93 4.672 -14.022 -11.396 1.00 70.41 C ATOM 1432 OG SER A 93 4.280 -14.695 -12.596 1.00 21.24 O ATOM 0 H SER A 93 4.240 -16.340 -11.302 1.00 10.33 H new ATOM 0 HA SER A 93 4.784 -14.347 -9.297 1.00 30.12 H new ATOM 0 HB2 SER A 93 4.329 -12.988 -11.444 1.00 70.41 H new ATOM 0 HB3 SER A 93 5.761 -13.995 -11.347 1.00 70.41 H new ATOM 0 HG SER A 93 4.962 -15.356 -12.838 1.00 21.24 H new ATOM 1438 N ARG A 94 2.573 -13.138 -8.982 1.00 5.40 N ATOM 1439 CA ARG A 94 1.367 -12.837 -8.211 1.00 71.33 C ATOM 1440 C ARG A 94 1.307 -11.332 -7.944 1.00 74.21 C ATOM 1441 O ARG A 94 2.234 -10.617 -8.319 1.00 33.30 O ATOM 1442 CB ARG A 94 1.383 -13.711 -6.934 1.00 64.32 C ATOM 1443 CG ARG A 94 2.737 -13.748 -6.198 1.00 10.40 C ATOM 1444 CD ARG A 94 2.759 -14.706 -5.010 1.00 21.12 C ATOM 1445 NE ARG A 94 2.617 -16.116 -5.410 1.00 44.31 N ATOM 1446 CZ ARG A 94 1.770 -17.005 -4.880 1.00 51.13 C ATOM 1447 NH1 ARG A 94 0.898 -16.655 -3.939 1.00 40.31 N ATOM 1448 NH2 ARG A 94 1.793 -18.255 -5.301 1.00 75.45 N ATOM 0 H ARG A 94 3.303 -12.431 -8.892 1.00 5.40 H new ATOM 0 HA ARG A 94 0.454 -13.082 -8.753 1.00 71.33 H new ATOM 0 HB2 ARG A 94 0.621 -13.342 -6.247 1.00 64.32 H new ATOM 0 HB3 ARG A 94 1.103 -14.729 -7.203 1.00 64.32 H new ATOM 0 HG2 ARG A 94 3.517 -14.038 -6.903 1.00 10.40 H new ATOM 0 HG3 ARG A 94 2.979 -12.744 -5.849 1.00 10.40 H new ATOM 0 HD2 ARG A 94 3.695 -14.580 -4.465 1.00 21.12 H new ATOM 0 HD3 ARG A 94 1.953 -14.445 -4.324 1.00 21.12 H new ATOM 0 HE ARG A 94 3.222 -16.446 -6.162 1.00 44.31 H new ATOM 0 HH11 ARG A 94 0.866 -15.691 -3.607 1.00 40.31 H new ATOM 0 HH12 ARG A 94 0.262 -17.350 -3.549 1.00 40.31 H new ATOM 0 HH21 ARG A 94 2.453 -18.537 -6.025 1.00 75.45 H new ATOM 0 HH22 ARG A 94 1.150 -18.939 -4.902 1.00 75.45 H new ATOM 1462 N SER A 95 0.229 -10.813 -7.356 1.00 32.50 N ATOM 1463 CA SER A 95 0.084 -9.378 -7.160 1.00 5.22 C ATOM 1464 C SER A 95 -0.766 -9.086 -5.930 1.00 42.11 C ATOM 1465 O SER A 95 -1.556 -9.923 -5.485 1.00 14.32 O ATOM 1466 CB SER A 95 -0.428 -8.760 -8.481 1.00 70.34 C ATOM 1467 OG SER A 95 -1.066 -7.506 -8.350 1.00 11.04 O ATOM 0 H SER A 95 -0.554 -11.368 -7.009 1.00 32.50 H new ATOM 0 HA SER A 95 1.039 -8.901 -6.940 1.00 5.22 H new ATOM 0 HB2 SER A 95 0.415 -8.652 -9.164 1.00 70.34 H new ATOM 0 HB3 SER A 95 -1.125 -9.458 -8.944 1.00 70.34 H new ATOM 0 HG SER A 95 -0.437 -6.857 -7.971 1.00 11.04 H new ATOM 1473 N PHE A 96 -0.643 -7.860 -5.429 1.00 13.20 N ATOM 1474 CA PHE A 96 -1.361 -7.327 -4.286 1.00 23.42 C ATOM 1475 C PHE A 96 -1.966 -5.964 -4.620 1.00 34.22 C ATOM 1476 O PHE A 96 -1.713 -5.382 -5.680 1.00 1.31 O ATOM 1477 CB PHE A 96 -0.414 -7.203 -3.081 1.00 5.24 C ATOM 1478 CG PHE A 96 -0.745 -8.151 -1.960 1.00 61.42 C ATOM 1479 CD1 PHE A 96 -1.636 -7.770 -0.938 1.00 63.55 C ATOM 1480 CD2 PHE A 96 -0.144 -9.418 -1.946 1.00 12.22 C ATOM 1481 CE1 PHE A 96 -1.937 -8.665 0.101 1.00 34.51 C ATOM 1482 CE2 PHE A 96 -0.432 -10.299 -0.888 1.00 74.51 C ATOM 1483 CZ PHE A 96 -1.325 -9.929 0.131 1.00 55.12 C ATOM 0 H PHE A 96 -0.003 -7.178 -5.836 1.00 13.20 H new ATOM 0 HA PHE A 96 -2.170 -8.012 -4.034 1.00 23.42 H new ATOM 0 HB2 PHE A 96 0.608 -7.386 -3.412 1.00 5.24 H new ATOM 0 HB3 PHE A 96 -0.449 -6.181 -2.705 1.00 5.24 H new ATOM 0 HD1 PHE A 96 -2.088 -6.789 -0.954 1.00 63.55 H new ATOM 0 HD2 PHE A 96 0.530 -9.713 -2.736 1.00 12.22 H new ATOM 0 HE1 PHE A 96 -2.636 -8.383 0.874 1.00 34.51 H new ATOM 0 HE2 PHE A 96 0.039 -11.271 -0.859 1.00 74.51 H new ATOM 0 HZ PHE A 96 -1.541 -10.615 0.936 1.00 55.12 H new ATOM 1493 N THR A 97 -2.773 -5.416 -3.715 1.00 42.42 N ATOM 1494 CA THR A 97 -3.346 -4.075 -3.815 1.00 45.05 C ATOM 1495 C THR A 97 -3.546 -3.565 -2.389 1.00 44.02 C ATOM 1496 O THR A 97 -4.118 -4.274 -1.553 1.00 1.23 O ATOM 1497 CB THR A 97 -4.662 -4.175 -4.605 1.00 51.12 C ATOM 1498 OG1 THR A 97 -4.385 -4.768 -5.863 1.00 14.04 O ATOM 1499 CG2 THR A 97 -5.386 -2.877 -4.915 1.00 4.03 C ATOM 0 H THR A 97 -3.055 -5.907 -2.866 1.00 42.42 H new ATOM 0 HA THR A 97 -2.702 -3.372 -4.344 1.00 45.05 H new ATOM 0 HB THR A 97 -5.316 -4.747 -3.947 1.00 51.12 H new ATOM 0 HG1 THR A 97 -4.793 -4.232 -6.574 1.00 14.04 H new ATOM 0 HG21 THR A 97 -6.296 -3.093 -5.475 1.00 4.03 H new ATOM 0 HG22 THR A 97 -5.644 -2.373 -3.984 1.00 4.03 H new ATOM 0 HG23 THR A 97 -4.739 -2.232 -5.509 1.00 4.03 H new ATOM 1507 N VAL A 98 -3.057 -2.359 -2.106 1.00 71.12 N ATOM 1508 CA VAL A 98 -3.247 -1.655 -0.846 1.00 5.20 C ATOM 1509 C VAL A 98 -3.988 -0.382 -1.215 1.00 34.43 C ATOM 1510 O VAL A 98 -3.475 0.413 -2.001 1.00 53.33 O ATOM 1511 CB VAL A 98 -1.887 -1.411 -0.155 1.00 41.02 C ATOM 1512 CG1 VAL A 98 -2.016 -0.562 1.114 1.00 63.33 C ATOM 1513 CG2 VAL A 98 -1.246 -2.743 0.247 1.00 43.21 C ATOM 0 H VAL A 98 -2.498 -1.829 -2.774 1.00 71.12 H new ATOM 0 HA VAL A 98 -3.825 -2.221 -0.116 1.00 5.20 H new ATOM 0 HB VAL A 98 -1.272 -0.878 -0.880 1.00 41.02 H new ATOM 0 HG11 VAL A 98 -1.031 -0.421 1.559 1.00 63.33 H new ATOM 0 HG12 VAL A 98 -2.442 0.409 0.860 1.00 63.33 H new ATOM 0 HG13 VAL A 98 -2.667 -1.069 1.826 1.00 63.33 H new ATOM 0 HG21 VAL A 98 -0.289 -2.554 0.733 1.00 43.21 H new ATOM 0 HG22 VAL A 98 -1.905 -3.270 0.937 1.00 43.21 H new ATOM 0 HG23 VAL A 98 -1.088 -3.354 -0.642 1.00 43.21 H new ATOM 1523 N CYS A 99 -5.217 -0.222 -0.727 1.00 42.21 N ATOM 1524 CA CYS A 99 -5.960 1.021 -0.865 1.00 65.11 C ATOM 1525 C CYS A 99 -6.190 1.593 0.521 1.00 51.23 C ATOM 1526 O CYS A 99 -6.501 0.832 1.442 1.00 34.43 O ATOM 1527 CB CYS A 99 -7.311 0.786 -1.555 1.00 45.13 C ATOM 1528 SG CYS A 99 -7.171 -0.191 -3.082 1.00 11.44 S ATOM 0 H CYS A 99 -5.722 -0.953 -0.226 1.00 42.21 H new ATOM 0 HA CYS A 99 -5.387 1.715 -1.480 1.00 65.11 H new ATOM 0 HB2 CYS A 99 -7.981 0.275 -0.864 1.00 45.13 H new ATOM 0 HB3 CYS A 99 -7.766 1.749 -1.787 1.00 45.13 H new ATOM 0 HG CYS A 99 -8.350 -0.349 -3.605 1.00 11.44 H new ATOM 1534 N VAL A 100 -6.114 2.917 0.634 1.00 50.45 N ATOM 1535 CA VAL A 100 -6.562 3.620 1.828 1.00 21.12 C ATOM 1536 C VAL A 100 -7.499 4.760 1.424 1.00 1.41 C ATOM 1537 O VAL A 100 -7.480 5.236 0.285 1.00 70.34 O ATOM 1538 CB VAL A 100 -5.379 4.071 2.726 1.00 53.23 C ATOM 1539 CG1 VAL A 100 -4.606 2.867 3.291 1.00 54.01 C ATOM 1540 CG2 VAL A 100 -4.365 5.001 2.041 1.00 24.43 C ATOM 0 H VAL A 100 -5.743 3.527 -0.095 1.00 50.45 H new ATOM 0 HA VAL A 100 -7.130 2.933 2.456 1.00 21.12 H new ATOM 0 HB VAL A 100 -5.863 4.638 3.521 1.00 53.23 H new ATOM 0 HG11 VAL A 100 -3.785 3.222 3.915 1.00 54.01 H new ATOM 0 HG12 VAL A 100 -5.278 2.252 3.890 1.00 54.01 H new ATOM 0 HG13 VAL A 100 -4.207 2.273 2.469 1.00 54.01 H new ATOM 0 HG21 VAL A 100 -3.576 5.262 2.747 1.00 24.43 H new ATOM 0 HG22 VAL A 100 -3.929 4.493 1.181 1.00 24.43 H new ATOM 0 HG23 VAL A 100 -4.870 5.908 1.709 1.00 24.43 H new ATOM 1550 N GLU A 101 -8.313 5.203 2.375 1.00 73.23 N ATOM 1551 CA GLU A 101 -9.134 6.403 2.284 1.00 34.40 C ATOM 1552 C GLU A 101 -8.770 7.291 3.470 1.00 43.03 C ATOM 1553 O GLU A 101 -8.401 6.767 4.528 1.00 73.51 O ATOM 1554 CB GLU A 101 -10.616 6.011 2.285 1.00 72.23 C ATOM 1555 CG GLU A 101 -11.094 5.466 3.628 1.00 14.42 C ATOM 1556 CD GLU A 101 -12.353 4.626 3.449 1.00 64.12 C ATOM 1557 OE1 GLU A 101 -12.195 3.423 3.134 1.00 60.32 O ATOM 1558 OE2 GLU A 101 -13.467 5.161 3.640 1.00 4.42 O ATOM 0 H GLU A 101 -8.423 4.717 3.265 1.00 73.23 H new ATOM 0 HA GLU A 101 -8.953 6.950 1.359 1.00 34.40 H new ATOM 0 HB2 GLU A 101 -11.215 6.882 2.020 1.00 72.23 H new ATOM 0 HB3 GLU A 101 -10.787 5.260 1.514 1.00 72.23 H new ATOM 0 HG2 GLU A 101 -10.309 4.861 4.082 1.00 14.42 H new ATOM 0 HG3 GLU A 101 -11.295 6.292 4.311 1.00 14.42 H new ATOM 1565 N ALA A 102 -8.859 8.610 3.306 1.00 51.45 N ATOM 1566 CA ALA A 102 -8.322 9.574 4.246 1.00 62.12 C ATOM 1567 C ALA A 102 -9.147 10.856 4.215 1.00 72.22 C ATOM 1568 O ALA A 102 -9.035 11.663 3.288 1.00 32.54 O ATOM 1569 CB ALA A 102 -6.863 9.845 3.879 1.00 53.15 C ATOM 0 H ALA A 102 -9.315 9.039 2.501 1.00 51.45 H new ATOM 0 HA ALA A 102 -8.370 9.180 5.261 1.00 62.12 H new ATOM 0 HB1 ALA A 102 -6.441 10.569 4.576 1.00 53.15 H new ATOM 0 HB2 ALA A 102 -6.296 8.916 3.933 1.00 53.15 H new ATOM 0 HB3 ALA A 102 -6.811 10.244 2.866 1.00 53.15 H new ATOM 1575 N GLY A 103 -9.984 11.069 5.230 1.00 4.21 N ATOM 1576 CA GLY A 103 -10.934 12.171 5.223 1.00 33.12 C ATOM 1577 C GLY A 103 -11.871 11.985 4.037 1.00 24.41 C ATOM 1578 O GLY A 103 -12.661 11.039 4.043 1.00 70.32 O ATOM 0 H GLY A 103 -10.020 10.489 6.068 1.00 4.21 H new ATOM 0 HA2 GLY A 103 -11.500 12.191 6.155 1.00 33.12 H new ATOM 0 HA3 GLY A 103 -10.410 13.124 5.148 1.00 33.12 H new ATOM 1582 N ASN A 104 -11.767 12.848 3.023 1.00 73.33 N ATOM 1583 CA ASN A 104 -12.506 12.731 1.773 1.00 13.30 C ATOM 1584 C ASN A 104 -11.652 12.242 0.598 1.00 24.54 C ATOM 1585 O ASN A 104 -12.192 11.884 -0.448 1.00 25.30 O ATOM 1586 CB ASN A 104 -13.112 14.100 1.443 1.00 42.43 C ATOM 1587 CG ASN A 104 -14.400 13.928 0.685 1.00 53.11 C ATOM 1588 OD1 ASN A 104 -14.522 14.278 -0.480 1.00 25.21 O ATOM 1589 ND2 ASN A 104 -15.404 13.404 1.356 1.00 51.32 N ATOM 0 H ASN A 104 -11.153 13.662 3.053 1.00 73.33 H new ATOM 0 HA ASN A 104 -13.279 11.976 1.916 1.00 13.30 H new ATOM 0 HB2 ASN A 104 -13.294 14.657 2.362 1.00 42.43 H new ATOM 0 HB3 ASN A 104 -12.408 14.684 0.851 1.00 42.43 H new ATOM 0 HD21 ASN A 104 -16.310 13.282 0.905 1.00 51.32 H new ATOM 0 HD22 ASN A 104 -15.275 13.120 2.327 1.00 51.32 H new ATOM 1596 N ALA A 105 -10.325 12.236 0.747 1.00 4.42 N ATOM 1597 CA ALA A 105 -9.391 11.792 -0.279 1.00 12.20 C ATOM 1598 C ALA A 105 -9.213 10.274 -0.215 1.00 32.23 C ATOM 1599 O ALA A 105 -9.592 9.624 0.765 1.00 11.22 O ATOM 1600 CB ALA A 105 -8.040 12.497 -0.092 1.00 50.04 C ATOM 0 H ALA A 105 -9.865 12.547 1.603 1.00 4.42 H new ATOM 0 HA ALA A 105 -9.792 12.050 -1.259 1.00 12.20 H new ATOM 0 HB1 ALA A 105 -7.345 12.162 -0.862 1.00 50.04 H new ATOM 0 HB2 ALA A 105 -8.178 13.575 -0.173 1.00 50.04 H new ATOM 0 HB3 ALA A 105 -7.637 12.255 0.891 1.00 50.04 H new ATOM 1606 N PHE A 106 -8.564 9.727 -1.238 1.00 71.54 N ATOM 1607 CA PHE A 106 -8.151 8.340 -1.343 1.00 71.51 C ATOM 1608 C PHE A 106 -6.776 8.339 -2.008 1.00 61.32 C ATOM 1609 O PHE A 106 -6.417 9.299 -2.700 1.00 21.54 O ATOM 1610 CB PHE A 106 -9.163 7.546 -2.193 1.00 24.10 C ATOM 1611 CG PHE A 106 -10.597 7.521 -1.681 1.00 23.41 C ATOM 1612 CD1 PHE A 106 -11.440 8.635 -1.868 1.00 31.33 C ATOM 1613 CD2 PHE A 106 -11.101 6.376 -1.035 1.00 31.13 C ATOM 1614 CE1 PHE A 106 -12.754 8.630 -1.369 1.00 11.14 C ATOM 1615 CE2 PHE A 106 -12.426 6.358 -0.560 1.00 34.40 C ATOM 1616 CZ PHE A 106 -13.249 7.486 -0.719 1.00 11.34 C ATOM 0 H PHE A 106 -8.300 10.273 -2.058 1.00 71.54 H new ATOM 0 HA PHE A 106 -8.107 7.868 -0.362 1.00 71.51 H new ATOM 0 HB2 PHE A 106 -9.166 7.963 -3.200 1.00 24.10 H new ATOM 0 HB3 PHE A 106 -8.810 6.518 -2.274 1.00 24.10 H new ATOM 0 HD1 PHE A 106 -11.073 9.500 -2.400 1.00 31.33 H new ATOM 0 HD2 PHE A 106 -10.470 5.510 -0.904 1.00 31.13 H new ATOM 0 HE1 PHE A 106 -13.381 9.502 -1.485 1.00 11.14 H new ATOM 0 HE2 PHE A 106 -12.811 5.475 -0.072 1.00 34.40 H new ATOM 0 HZ PHE A 106 -14.261 7.474 -0.342 1.00 11.34 H new ATOM 1626 N ASP A 107 -6.028 7.252 -1.847 1.00 2.43 N ATOM 1627 CA ASP A 107 -4.884 6.926 -2.689 1.00 30.50 C ATOM 1628 C ASP A 107 -4.680 5.419 -2.588 1.00 61.45 C ATOM 1629 O ASP A 107 -4.990 4.818 -1.551 1.00 44.05 O ATOM 1630 CB ASP A 107 -3.620 7.673 -2.226 1.00 30.43 C ATOM 1631 CG ASP A 107 -2.466 7.577 -3.229 1.00 70.33 C ATOM 1632 OD1 ASP A 107 -2.671 7.120 -4.377 1.00 24.41 O ATOM 1633 OD2 ASP A 107 -1.354 8.036 -2.879 1.00 64.31 O ATOM 0 H ASP A 107 -6.203 6.563 -1.116 1.00 2.43 H new ATOM 0 HA ASP A 107 -5.069 7.231 -3.719 1.00 30.50 H new ATOM 0 HB2 ASP A 107 -3.865 8.722 -2.062 1.00 30.43 H new ATOM 0 HB3 ASP A 107 -3.296 7.267 -1.268 1.00 30.43 H new ATOM 1638 N GLU A 108 -4.125 4.774 -3.610 1.00 31.53 N ATOM 1639 CA GLU A 108 -3.877 3.343 -3.563 1.00 25.20 C ATOM 1640 C GLU A 108 -2.649 2.957 -4.388 1.00 50.23 C ATOM 1641 O GLU A 108 -2.235 3.680 -5.298 1.00 73.51 O ATOM 1642 CB GLU A 108 -5.156 2.575 -3.912 1.00 53.14 C ATOM 1643 CG GLU A 108 -5.582 2.514 -5.372 1.00 73.55 C ATOM 1644 CD GLU A 108 -6.373 3.735 -5.831 1.00 2.02 C ATOM 1645 OE1 GLU A 108 -7.478 3.984 -5.285 1.00 30.24 O ATOM 1646 OE2 GLU A 108 -5.968 4.343 -6.848 1.00 21.40 O ATOM 0 H GLU A 108 -3.839 5.223 -4.480 1.00 31.53 H new ATOM 0 HA GLU A 108 -3.620 3.049 -2.545 1.00 25.20 H new ATOM 0 HB2 GLU A 108 -5.037 1.551 -3.557 1.00 53.14 H new ATOM 0 HB3 GLU A 108 -5.975 3.017 -3.344 1.00 53.14 H new ATOM 0 HG2 GLU A 108 -4.694 2.411 -5.996 1.00 73.55 H new ATOM 0 HG3 GLU A 108 -6.187 1.621 -5.528 1.00 73.55 H new ATOM 1653 N PHE A 109 -2.065 1.808 -4.057 1.00 2.01 N ATOM 1654 CA PHE A 109 -0.788 1.329 -4.547 1.00 54.04 C ATOM 1655 C PHE A 109 -0.891 -0.163 -4.882 1.00 63.12 C ATOM 1656 O PHE A 109 -0.945 -1.010 -3.983 1.00 31.11 O ATOM 1657 CB PHE A 109 0.277 1.570 -3.474 1.00 61.15 C ATOM 1658 CG PHE A 109 0.379 2.977 -2.908 1.00 72.23 C ATOM 1659 CD1 PHE A 109 0.535 4.080 -3.766 1.00 42.24 C ATOM 1660 CD2 PHE A 109 0.289 3.186 -1.516 1.00 61.24 C ATOM 1661 CE1 PHE A 109 0.597 5.379 -3.238 1.00 34.13 C ATOM 1662 CE2 PHE A 109 0.362 4.484 -0.985 1.00 2.44 C ATOM 1663 CZ PHE A 109 0.526 5.576 -1.850 1.00 73.33 C ATOM 0 H PHE A 109 -2.499 1.155 -3.404 1.00 2.01 H new ATOM 0 HA PHE A 109 -0.509 1.866 -5.454 1.00 54.04 H new ATOM 0 HB2 PHE A 109 0.087 0.885 -2.648 1.00 61.15 H new ATOM 0 HB3 PHE A 109 1.247 1.302 -3.893 1.00 61.15 H new ATOM 0 HD1 PHE A 109 0.607 3.927 -4.833 1.00 42.24 H new ATOM 0 HD2 PHE A 109 0.163 2.342 -0.854 1.00 61.24 H new ATOM 0 HE1 PHE A 109 0.699 6.227 -3.899 1.00 34.13 H new ATOM 0 HE2 PHE A 109 0.292 4.640 0.081 1.00 2.44 H new ATOM 0 HZ PHE A 109 0.598 6.575 -1.445 1.00 73.33 H new ATOM 1673 N LYS A 110 -0.928 -0.500 -6.172 1.00 24.21 N ATOM 1674 CA LYS A 110 -0.908 -1.893 -6.615 1.00 74.23 C ATOM 1675 C LYS A 110 0.511 -2.437 -6.503 1.00 33.34 C ATOM 1676 O LYS A 110 1.476 -1.702 -6.692 1.00 45.01 O ATOM 1677 CB LYS A 110 -1.482 -2.004 -8.034 1.00 45.32 C ATOM 1678 CG LYS A 110 -3.009 -1.961 -7.877 1.00 12.02 C ATOM 1679 CD LYS A 110 -3.805 -2.032 -9.173 1.00 43.05 C ATOM 1680 CE LYS A 110 -5.278 -2.240 -8.788 1.00 54.33 C ATOM 1681 NZ LYS A 110 -6.201 -2.078 -9.926 1.00 71.34 N ATOM 0 H LYS A 110 -0.972 0.179 -6.932 1.00 24.21 H new ATOM 0 HA LYS A 110 -1.543 -2.505 -5.974 1.00 74.23 H new ATOM 0 HB2 LYS A 110 -1.131 -1.185 -8.662 1.00 45.32 H new ATOM 0 HB3 LYS A 110 -1.165 -2.931 -8.512 1.00 45.32 H new ATOM 0 HG2 LYS A 110 -3.314 -2.790 -7.238 1.00 12.02 H new ATOM 0 HG3 LYS A 110 -3.277 -1.042 -7.357 1.00 12.02 H new ATOM 0 HD2 LYS A 110 -3.684 -1.115 -9.750 1.00 43.05 H new ATOM 0 HD3 LYS A 110 -3.451 -2.852 -9.798 1.00 43.05 H new ATOM 0 HE2 LYS A 110 -5.400 -3.238 -8.368 1.00 54.33 H new ATOM 0 HE3 LYS A 110 -5.547 -1.530 -8.006 1.00 54.33 H new ATOM 0 HZ1 LYS A 110 -7.178 -2.230 -9.605 1.00 71.34 H new ATOM 0 HZ2 LYS A 110 -6.109 -1.117 -10.313 1.00 71.34 H new ATOM 0 HZ3 LYS A 110 -5.967 -2.772 -10.664 1.00 71.34 H new ATOM 1695 N PHE A 111 0.654 -3.733 -6.242 1.00 45.01 N ATOM 1696 CA PHE A 111 1.939 -4.415 -6.125 1.00 42.11 C ATOM 1697 C PHE A 111 1.948 -5.624 -7.043 1.00 30.32 C ATOM 1698 O PHE A 111 0.888 -6.184 -7.318 1.00 10.42 O ATOM 1699 CB PHE A 111 2.144 -4.899 -4.687 1.00 52.23 C ATOM 1700 CG PHE A 111 2.496 -3.836 -3.674 1.00 24.41 C ATOM 1701 CD1 PHE A 111 1.491 -3.025 -3.117 1.00 44.33 C ATOM 1702 CD2 PHE A 111 3.821 -3.728 -3.213 1.00 63.21 C ATOM 1703 CE1 PHE A 111 1.803 -2.137 -2.075 1.00 22.13 C ATOM 1704 CE2 PHE A 111 4.132 -2.842 -2.170 1.00 33.32 C ATOM 1705 CZ PHE A 111 3.121 -2.057 -1.593 1.00 25.14 C ATOM 0 H PHE A 111 -0.142 -4.355 -6.102 1.00 45.01 H new ATOM 0 HA PHE A 111 2.735 -3.722 -6.398 1.00 42.11 H new ATOM 0 HB2 PHE A 111 1.232 -5.397 -4.359 1.00 52.23 H new ATOM 0 HB3 PHE A 111 2.935 -5.649 -4.687 1.00 52.23 H new ATOM 0 HD1 PHE A 111 0.479 -3.085 -3.491 1.00 44.33 H new ATOM 0 HD2 PHE A 111 4.599 -4.327 -3.662 1.00 63.21 H new ATOM 0 HE1 PHE A 111 1.031 -1.516 -1.644 1.00 22.13 H new ATOM 0 HE2 PHE A 111 5.148 -2.764 -1.812 1.00 33.32 H new ATOM 0 HZ PHE A 111 3.357 -1.390 -0.777 1.00 25.14 H new ATOM 1715 N VAL A 112 3.127 -6.082 -7.456 1.00 42.03 N ATOM 1716 CA VAL A 112 3.313 -7.299 -8.242 1.00 10.13 C ATOM 1717 C VAL A 112 4.580 -7.984 -7.722 1.00 33.11 C ATOM 1718 O VAL A 112 5.591 -7.303 -7.548 1.00 22.44 O ATOM 1719 CB VAL A 112 3.430 -6.937 -9.737 1.00 24.53 C ATOM 1720 CG1 VAL A 112 3.514 -8.180 -10.629 1.00 54.31 C ATOM 1721 CG2 VAL A 112 2.311 -6.021 -10.251 1.00 1.12 C ATOM 0 H VAL A 112 4.003 -5.604 -7.247 1.00 42.03 H new ATOM 0 HA VAL A 112 2.465 -7.977 -8.142 1.00 10.13 H new ATOM 0 HB VAL A 112 4.364 -6.378 -9.802 1.00 24.53 H new ATOM 0 HG11 VAL A 112 3.595 -7.874 -11.672 1.00 54.31 H new ATOM 0 HG12 VAL A 112 4.390 -8.767 -10.354 1.00 54.31 H new ATOM 0 HG13 VAL A 112 2.616 -8.784 -10.497 1.00 54.31 H new ATOM 0 HG21 VAL A 112 2.467 -5.815 -11.310 1.00 1.12 H new ATOM 0 HG22 VAL A 112 1.348 -6.512 -10.115 1.00 1.12 H new ATOM 0 HG23 VAL A 112 2.322 -5.085 -9.693 1.00 1.12 H new ATOM 1731 N GLN A 113 4.537 -9.288 -7.445 1.00 52.32 N ATOM 1732 CA GLN A 113 5.676 -10.132 -7.095 1.00 33.20 C ATOM 1733 C GLN A 113 5.950 -11.135 -8.220 1.00 51.32 C ATOM 1734 O GLN A 113 5.052 -11.806 -8.725 1.00 33.33 O ATOM 1735 CB GLN A 113 5.380 -10.810 -5.748 1.00 30.53 C ATOM 1736 CG GLN A 113 6.423 -11.865 -5.361 1.00 45.03 C ATOM 1737 CD GLN A 113 6.352 -12.297 -3.901 1.00 43.22 C ATOM 1738 OE1 GLN A 113 5.492 -13.083 -3.520 1.00 3.40 O ATOM 1739 NE2 GLN A 113 7.290 -11.858 -3.079 1.00 20.22 N ATOM 0 H GLN A 113 3.660 -9.809 -7.460 1.00 52.32 H new ATOM 0 HA GLN A 113 6.584 -9.540 -6.983 1.00 33.20 H new ATOM 0 HB2 GLN A 113 5.335 -10.050 -4.968 1.00 30.53 H new ATOM 0 HB3 GLN A 113 4.397 -11.279 -5.793 1.00 30.53 H new ATOM 0 HG2 GLN A 113 6.292 -12.741 -5.996 1.00 45.03 H new ATOM 0 HG3 GLN A 113 7.418 -11.470 -5.565 1.00 45.03 H new ATOM 0 HE21 GLN A 113 7.997 -11.204 -3.415 1.00 20.22 H new ATOM 0 HE22 GLN A 113 7.306 -12.173 -2.109 1.00 20.22 H new ATOM 1748 N ASP A 114 7.220 -11.232 -8.603 1.00 3.33 N ATOM 1749 CA ASP A 114 7.754 -12.217 -9.560 1.00 1.00 C ATOM 1750 C ASP A 114 7.737 -13.645 -8.984 1.00 52.34 C ATOM 1751 O ASP A 114 7.342 -13.882 -7.840 1.00 4.40 O ATOM 1752 CB ASP A 114 9.172 -11.754 -9.944 1.00 5.42 C ATOM 1753 CG ASP A 114 9.927 -12.491 -11.058 1.00 52.32 C ATOM 1754 OD1 ASP A 114 9.298 -13.186 -11.885 1.00 3.21 O ATOM 1755 OD2 ASP A 114 11.158 -12.283 -11.152 1.00 5.43 O ATOM 0 H ASP A 114 7.940 -10.605 -8.245 1.00 3.33 H new ATOM 0 HA ASP A 114 7.126 -12.265 -10.449 1.00 1.00 H new ATOM 0 HB2 ASP A 114 9.107 -10.704 -10.231 1.00 5.42 H new ATOM 0 HB3 ASP A 114 9.787 -11.801 -9.045 1.00 5.42 H new ATOM 1760 N ALA A 115 8.134 -14.605 -9.809 1.00 12.20 N ATOM 1761 CA ALA A 115 8.131 -16.044 -9.549 1.00 65.13 C ATOM 1762 C ALA A 115 9.512 -16.549 -9.117 1.00 53.35 C ATOM 1763 O ALA A 115 10.525 -16.090 -9.648 1.00 45.15 O ATOM 1764 CB ALA A 115 7.718 -16.745 -10.838 1.00 10.00 C ATOM 0 H ALA A 115 8.491 -14.388 -10.740 1.00 12.20 H new ATOM 0 HA ALA A 115 7.438 -16.258 -8.736 1.00 65.13 H new ATOM 0 HB1 ALA A 115 7.706 -17.823 -10.678 1.00 10.00 H new ATOM 0 HB2 ALA A 115 6.723 -16.410 -11.131 1.00 10.00 H new ATOM 0 HB3 ALA A 115 8.430 -16.504 -11.628 1.00 10.00 H new ATOM 1770 N ALA A 116 9.564 -17.522 -8.204 1.00 51.31 N ATOM 1771 CA ALA A 116 10.820 -18.041 -7.665 1.00 13.11 C ATOM 1772 C ALA A 116 11.405 -19.118 -8.579 1.00 24.11 C ATOM 1773 O ALA A 116 10.852 -20.214 -8.707 1.00 42.33 O ATOM 1774 CB ALA A 116 10.616 -18.578 -6.251 1.00 40.13 C ATOM 0 H ALA A 116 8.734 -17.972 -7.818 1.00 51.31 H new ATOM 0 HA ALA A 116 11.535 -17.219 -7.618 1.00 13.11 H new ATOM 0 HB1 ALA A 116 11.562 -18.960 -5.867 1.00 40.13 H new ATOM 0 HB2 ALA A 116 10.259 -17.776 -5.605 1.00 40.13 H new ATOM 0 HB3 ALA A 116 9.881 -19.382 -6.270 1.00 40.13 H new ATOM 1780 N LYS A 117 12.542 -18.800 -9.201 1.00 72.42 N ATOM 1781 CA LYS A 117 13.171 -19.587 -10.261 1.00 4.43 C ATOM 1782 C LYS A 117 14.090 -20.665 -9.677 1.00 3.31 C ATOM 1783 O LYS A 117 15.309 -20.645 -9.879 1.00 5.02 O ATOM 1784 CB LYS A 117 13.884 -18.610 -11.208 1.00 62.25 C ATOM 1785 CG LYS A 117 14.202 -19.239 -12.569 1.00 63.45 C ATOM 1786 CD LYS A 117 14.731 -18.152 -13.503 1.00 54.22 C ATOM 1787 CE LYS A 117 15.144 -18.748 -14.848 1.00 34.21 C ATOM 1788 NZ LYS A 117 15.673 -17.692 -15.727 1.00 30.31 N ATOM 0 H LYS A 117 13.068 -17.957 -8.971 1.00 72.42 H new ATOM 0 HA LYS A 117 12.427 -20.139 -10.835 1.00 4.43 H new ATOM 0 HB2 LYS A 117 13.258 -17.730 -11.355 1.00 62.25 H new ATOM 0 HB3 LYS A 117 14.809 -18.269 -10.744 1.00 62.25 H new ATOM 0 HG2 LYS A 117 14.942 -20.031 -12.455 1.00 63.45 H new ATOM 0 HG3 LYS A 117 13.307 -19.697 -12.991 1.00 63.45 H new ATOM 0 HD2 LYS A 117 13.964 -17.393 -13.656 1.00 54.22 H new ATOM 0 HD3 LYS A 117 15.585 -17.654 -13.043 1.00 54.22 H new ATOM 0 HE2 LYS A 117 15.900 -19.519 -14.697 1.00 34.21 H new ATOM 0 HE3 LYS A 117 14.288 -19.230 -15.320 1.00 34.21 H new ATOM 0 HZ1 LYS A 117 15.951 -18.107 -16.639 1.00 30.31 H new ATOM 0 HZ2 LYS A 117 14.940 -16.971 -15.884 1.00 30.31 H new ATOM 0 HZ3 LYS A 117 16.502 -17.251 -15.280 1.00 30.31 H new ATOM 1802 N GLN A 118 13.521 -21.582 -8.902 1.00 15.32 N ATOM 1803 CA GLN A 118 14.250 -22.613 -8.168 1.00 55.34 C ATOM 1804 C GLN A 118 14.103 -23.950 -8.875 1.00 11.14 C ATOM 1805 O GLN A 118 13.039 -24.203 -9.479 1.00 40.34 O ATOM 1806 CB GLN A 118 13.728 -22.686 -6.728 1.00 23.30 C ATOM 1807 CG GLN A 118 14.079 -21.449 -5.891 1.00 11.22 C ATOM 1808 CD GLN A 118 13.450 -21.571 -4.505 1.00 4.43 C ATOM 1809 OE1 GLN A 118 12.328 -21.124 -4.278 1.00 3.01 O ATOM 1810 NE2 GLN A 118 14.135 -22.176 -3.552 1.00 74.41 N ATOM 0 H GLN A 118 12.512 -21.631 -8.762 1.00 15.32 H new ATOM 0 HA GLN A 118 15.310 -22.362 -8.135 1.00 55.34 H new ATOM 0 HB2 GLN A 118 12.645 -22.807 -6.747 1.00 23.30 H new ATOM 0 HB3 GLN A 118 14.139 -23.572 -6.244 1.00 23.30 H new ATOM 0 HG2 GLN A 118 15.161 -21.353 -5.803 1.00 11.22 H new ATOM 0 HG3 GLN A 118 13.718 -20.548 -6.387 1.00 11.22 H new ATOM 0 HE21 GLN A 118 15.066 -22.544 -3.748 1.00 74.41 H new ATOM 0 HE22 GLN A 118 13.733 -22.275 -2.620 1.00 74.41 H new