USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot -47:sc= 0.236 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -1.19 K(o=-0.95,f=-0.18) USER MOD Set 2.1: A 44 THR OG1 : rot -160:sc= 0.829 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 143:sc= 0.941 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 2.42 (180deg=2.38) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 15:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.27) USER MOD Single : A 50 THR OG1 : rot 41:sc= 0.769 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.843 K(o=0.84,f=-0.58) USER MOD Single : A 76 GLN : amide:sc= 0.828 K(o=0.83,f=-0.27) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -110:sc= 0.745 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.294 USER MOD Single : A 97 GLN : amide:sc= 0.948 K(o=0.95,f=0) USER MOD Single : A 103 SER OG : rot -33:sc= 0.634 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.8) USER MOD Single : A 122 SER OG : rot 130:sc= 0.0273 USER MOD Single : A 124 GLN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.745 9.004 6.639 1.00 0.00 N ATOM 187 CA SER A 9 -12.817 8.020 6.546 1.00 0.00 C ATOM 188 C SER A 9 -12.270 6.636 6.194 1.00 0.00 C ATOM 189 O SER A 9 -11.673 6.444 5.133 1.00 0.00 O ATOM 190 CB SER A 9 -13.808 8.508 5.483 1.00 0.00 C ATOM 191 OG SER A 9 -15.109 8.020 5.771 1.00 0.00 O ATOM 0 HA SER A 9 -13.317 7.921 7.509 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.817 9.598 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.493 8.167 4.497 1.00 0.00 H new ATOM 0 HG SER A 9 -15.736 8.338 5.088 1.00 0.00 H new ATOM 197 N VAL A 10 -12.424 5.671 7.100 1.00 0.00 N ATOM 198 CA VAL A 10 -11.790 4.342 6.997 1.00 0.00 C ATOM 199 C VAL A 10 -12.427 3.509 5.869 1.00 0.00 C ATOM 200 O VAL A 10 -13.637 3.580 5.638 1.00 0.00 O ATOM 201 CB VAL A 10 -11.835 3.606 8.354 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.143 2.237 8.308 1.00 0.00 C ATOM 203 CG2 VAL A 10 -11.134 4.417 9.456 1.00 0.00 C ATOM 0 H VAL A 10 -12.996 5.783 7.937 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.741 4.483 6.737 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.896 3.479 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.205 1.765 9.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.636 1.605 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.096 2.367 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.184 3.870 10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.091 4.575 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.630 5.381 9.569 1.00 0.00 H new ATOM 213 N LEU A 11 -11.611 2.705 5.180 1.00 0.00 N ATOM 214 CA LEU A 11 -11.984 1.910 4.000 1.00 0.00 C ATOM 215 C LEU A 11 -11.613 0.429 4.165 1.00 0.00 C ATOM 216 O LEU A 11 -12.406 -0.452 3.828 1.00 0.00 O ATOM 217 CB LEU A 11 -11.285 2.489 2.751 1.00 0.00 C ATOM 218 CG LEU A 11 -11.805 3.842 2.231 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.029 4.207 0.962 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.293 3.825 1.879 1.00 0.00 C ATOM 0 H LEU A 11 -10.632 2.584 5.438 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.066 1.966 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.223 2.596 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.370 1.760 1.945 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.662 4.566 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.385 5.164 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.967 4.282 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.182 3.436 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.593 4.809 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.474 3.084 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.874 3.570 2.765 1.00 0.00 H new ATOM 232 N CYS A 12 -10.421 0.148 4.694 1.00 0.00 N ATOM 233 CA CYS A 12 -9.933 -1.202 4.970 1.00 0.00 C ATOM 234 C CYS A 12 -8.994 -1.177 6.177 1.00 0.00 C ATOM 235 O CYS A 12 -8.164 -0.279 6.309 1.00 0.00 O ATOM 236 CB CYS A 12 -9.216 -1.746 3.726 1.00 0.00 C ATOM 237 SG CYS A 12 -8.839 -3.510 3.913 1.00 0.00 S ATOM 0 H CYS A 12 -9.751 0.874 4.949 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.771 -1.859 5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.842 -1.595 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.294 -1.189 3.561 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.236 -3.940 2.845 1.00 0.00 H new ATOM 243 N VAL A 13 -9.110 -2.176 7.045 1.00 0.00 N ATOM 244 CA VAL A 13 -8.181 -2.430 8.156 1.00 0.00 C ATOM 245 C VAL A 13 -7.834 -3.918 8.188 1.00 0.00 C ATOM 246 O VAL A 13 -8.734 -4.762 8.212 1.00 0.00 O ATOM 247 CB VAL A 13 -8.762 -1.953 9.505 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.796 -2.205 10.670 1.00 0.00 C ATOM 249 CG2 VAL A 13 -9.064 -0.448 9.481 1.00 0.00 C ATOM 0 H VAL A 13 -9.871 -2.854 7.000 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.269 -1.855 7.994 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.677 -2.527 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.246 -1.854 11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.590 -3.273 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.864 -1.668 10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.472 -0.143 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.145 0.104 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.790 -0.235 8.696 1.00 0.00 H new ATOM 259 N LYS A 14 -6.534 -4.240 8.192 1.00 0.00 N ATOM 260 CA LYS A 14 -6.001 -5.612 8.322 1.00 0.00 C ATOM 261 C LYS A 14 -4.901 -5.656 9.398 1.00 0.00 C ATOM 262 O LYS A 14 -4.032 -4.781 9.393 1.00 0.00 O ATOM 263 CB LYS A 14 -5.493 -6.162 6.968 1.00 0.00 C ATOM 264 CG LYS A 14 -6.524 -6.146 5.823 1.00 0.00 C ATOM 265 CD LYS A 14 -7.661 -7.162 5.995 1.00 0.00 C ATOM 266 CE LYS A 14 -8.752 -6.899 4.958 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.882 -7.847 5.104 1.00 0.00 N ATOM 0 H LYS A 14 -5.800 -3.538 8.103 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.816 -6.263 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.624 -5.580 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.154 -7.187 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.952 -5.146 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.011 -6.346 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.276 -8.175 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.077 -7.090 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.117 -5.877 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.331 -6.985 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.588 -7.662 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.531 -8.822 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.320 -7.723 6.039 1.00 0.00 H new ATOM 281 N PRO A 15 -4.899 -6.644 10.314 1.00 0.00 N ATOM 282 CA PRO A 15 -3.984 -6.665 11.461 1.00 0.00 C ATOM 283 C PRO A 15 -2.541 -7.070 11.128 1.00 0.00 C ATOM 284 O PRO A 15 -1.645 -6.826 11.936 1.00 0.00 O ATOM 285 CB PRO A 15 -4.585 -7.683 12.430 1.00 0.00 C ATOM 286 CG PRO A 15 -5.336 -8.648 11.513 1.00 0.00 C ATOM 287 CD PRO A 15 -5.860 -7.734 10.411 1.00 0.00 C ATOM 0 HA PRO A 15 -3.899 -5.655 11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.813 -8.194 13.005 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.254 -7.208 13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.679 -9.422 11.117 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.147 -9.155 12.037 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.942 -8.269 9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.854 -7.359 10.653 1.00 0.00 H new ATOM 295 N ASP A 16 -2.317 -7.713 9.980 1.00 0.00 N ATOM 296 CA ASP A 16 -1.029 -8.288 9.591 1.00 0.00 C ATOM 297 C ASP A 16 -0.656 -7.906 8.153 1.00 0.00 C ATOM 298 O ASP A 16 -1.286 -8.342 7.185 1.00 0.00 O ATOM 299 CB ASP A 16 -1.080 -9.810 9.772 1.00 0.00 C ATOM 300 CG ASP A 16 0.279 -10.464 9.472 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.274 -10.120 10.154 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.352 -11.332 8.570 1.00 0.00 O ATOM 0 H ASP A 16 -3.044 -7.851 9.279 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.249 -7.880 10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.380 -10.045 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.839 -10.230 9.112 1.00 0.00 H new ATOM 307 N VAL A 17 0.383 -7.084 8.030 1.00 0.00 N ATOM 308 CA VAL A 17 1.002 -6.663 6.766 1.00 0.00 C ATOM 309 C VAL A 17 2.508 -6.465 6.964 1.00 0.00 C ATOM 310 O VAL A 17 2.957 -6.038 8.034 1.00 0.00 O ATOM 311 CB VAL A 17 0.292 -5.416 6.191 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.546 -4.127 6.982 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.672 -5.162 4.731 1.00 0.00 C ATOM 0 H VAL A 17 0.841 -6.672 8.843 1.00 0.00 H new ATOM 0 HA VAL A 17 0.878 -7.448 6.020 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.768 -5.659 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.012 -3.301 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.192 -4.252 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.614 -3.910 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.150 -4.277 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.748 -5.005 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.389 -6.023 4.126 1.00 0.00 H new ATOM 323 N SER A 18 3.297 -6.797 5.941 1.00 0.00 N ATOM 324 CA SER A 18 4.767 -6.799 6.003 1.00 0.00 C ATOM 325 C SER A 18 5.375 -5.909 4.922 1.00 0.00 C ATOM 326 O SER A 18 4.994 -6.027 3.760 1.00 0.00 O ATOM 327 CB SER A 18 5.303 -8.226 5.845 1.00 0.00 C ATOM 328 OG SER A 18 4.793 -9.092 6.847 1.00 0.00 O ATOM 0 H SER A 18 2.931 -7.077 5.031 1.00 0.00 H new ATOM 0 HA SER A 18 5.054 -6.403 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.033 -8.609 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.392 -8.213 5.895 1.00 0.00 H new ATOM 0 HG SER A 18 5.154 -9.993 6.715 1.00 0.00 H new ATOM 334 N VAL A 19 6.324 -5.043 5.296 1.00 0.00 N ATOM 335 CA VAL A 19 7.045 -4.123 4.398 1.00 0.00 C ATOM 336 C VAL A 19 8.386 -4.693 3.974 1.00 0.00 C ATOM 337 O VAL A 19 9.211 -5.073 4.805 1.00 0.00 O ATOM 338 CB VAL A 19 7.237 -2.727 5.022 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.149 -1.810 4.187 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.893 -2.012 5.151 1.00 0.00 C ATOM 0 H VAL A 19 6.625 -4.958 6.267 1.00 0.00 H new ATOM 0 HA VAL A 19 6.419 -4.010 3.513 1.00 0.00 H new ATOM 0 HB VAL A 19 7.700 -2.905 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.243 -0.843 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.134 -2.266 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.716 -1.671 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.046 -1.028 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.444 -1.901 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.229 -2.597 5.788 1.00 0.00 H new ATOM 350 N TYR A 20 8.638 -4.640 2.671 1.00 0.00 N ATOM 351 CA TYR A 20 9.926 -4.929 2.059 1.00 0.00 C ATOM 352 C TYR A 20 10.311 -3.774 1.129 1.00 0.00 C ATOM 353 O TYR A 20 9.550 -3.378 0.243 1.00 0.00 O ATOM 354 CB TYR A 20 9.909 -6.284 1.325 1.00 0.00 C ATOM 355 CG TYR A 20 8.764 -7.225 1.664 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.870 -8.125 2.740 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.583 -7.181 0.902 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.803 -8.990 3.052 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.518 -8.050 1.199 1.00 0.00 C ATOM 360 CZ TYR A 20 6.626 -8.963 2.271 1.00 0.00 C ATOM 361 OH TYR A 20 5.609 -9.828 2.533 1.00 0.00 O ATOM 0 H TYR A 20 7.924 -4.385 1.989 1.00 0.00 H new ATOM 0 HA TYR A 20 10.684 -5.015 2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.886 -6.091 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.847 -6.798 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.774 -8.153 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.494 -6.478 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.884 -9.672 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.616 -8.019 0.606 1.00 0.00 H new ATOM 0 HH TYR A 20 5.740 -10.229 3.418 1.00 0.00 H new ATOM 371 N ARG A 21 11.512 -3.229 1.326 1.00 0.00 N ATOM 372 CA ARG A 21 12.121 -2.250 0.408 1.00 0.00 C ATOM 373 C ARG A 21 12.414 -2.924 -0.942 1.00 0.00 C ATOM 374 O ARG A 21 12.998 -4.010 -0.978 1.00 0.00 O ATOM 375 CB ARG A 21 13.390 -1.630 1.025 1.00 0.00 C ATOM 376 CG ARG A 21 13.212 -1.043 2.440 1.00 0.00 C ATOM 377 CD ARG A 21 12.155 0.065 2.540 1.00 0.00 C ATOM 378 NE ARG A 21 12.018 0.514 3.937 1.00 0.00 N ATOM 379 CZ ARG A 21 11.685 1.701 4.400 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.655 1.866 5.686 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.392 2.713 3.631 1.00 0.00 N ATOM 0 H ARG A 21 12.098 -3.452 2.131 1.00 0.00 H new ATOM 0 HA ARG A 21 11.420 -1.433 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.168 -2.393 1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.748 -0.841 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.942 -1.849 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.169 -0.646 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.438 0.906 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.197 -0.302 2.173 1.00 0.00 H new ATOM 0 HE ARG A 21 12.208 -0.195 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.885 1.089 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.401 2.773 6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.414 2.606 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.140 3.611 4.044 1.00 0.00 H new ATOM 395 N ILE A 22 11.985 -2.300 -2.039 1.00 0.00 N ATOM 396 CA ILE A 22 12.010 -2.886 -3.394 1.00 0.00 C ATOM 397 C ILE A 22 13.217 -2.414 -4.228 1.00 0.00 C ATOM 398 O ILE A 22 13.694 -1.291 -4.027 1.00 0.00 O ATOM 399 CB ILE A 22 10.676 -2.631 -4.140 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.448 -1.136 -4.463 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.503 -3.228 -3.344 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.165 -0.877 -5.257 1.00 0.00 C ATOM 0 H ILE A 22 11.602 -1.355 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 22 12.127 -3.962 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 22 10.736 -3.136 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.411 -0.572 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.300 -0.760 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.570 -3.043 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.650 -4.302 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.457 -2.762 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.066 0.191 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.209 -1.414 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.306 -1.223 -4.683 1.00 0.00 H new ATOM 532 N TYR A 31 7.297 -5.539 -11.234 1.00 0.00 N ATOM 533 CA TYR A 31 7.665 -6.195 -9.984 1.00 0.00 C ATOM 534 C TYR A 31 6.967 -7.549 -9.889 1.00 0.00 C ATOM 535 O TYR A 31 5.829 -7.677 -10.313 1.00 0.00 O ATOM 536 CB TYR A 31 7.246 -5.296 -8.819 1.00 0.00 C ATOM 537 CG TYR A 31 7.719 -3.857 -8.891 1.00 0.00 C ATOM 538 CD1 TYR A 31 8.982 -3.530 -9.426 1.00 0.00 C ATOM 539 CD2 TYR A 31 6.877 -2.838 -8.408 1.00 0.00 C ATOM 540 CE1 TYR A 31 9.430 -2.199 -9.413 1.00 0.00 C ATOM 541 CE2 TYR A 31 7.316 -1.497 -8.417 1.00 0.00 C ATOM 542 CZ TYR A 31 8.603 -1.176 -8.904 1.00 0.00 C ATOM 543 OH TYR A 31 9.039 0.113 -8.919 1.00 0.00 O ATOM 0 HA TYR A 31 8.742 -6.359 -9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.158 -5.298 -8.757 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.619 -5.735 -7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.606 -4.305 -9.847 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.895 -3.082 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.411 -1.958 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.667 -0.715 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 31 8.351 0.695 -8.534 1.00 0.00 H new ATOM 553 N ARG A 32 7.608 -8.556 -9.303 1.00 0.00 N ATOM 554 CA ARG A 32 7.124 -9.960 -9.313 1.00 0.00 C ATOM 555 C ARG A 32 7.010 -10.591 -7.934 1.00 0.00 C ATOM 556 O ARG A 32 6.978 -11.811 -7.824 1.00 0.00 O ATOM 557 CB ARG A 32 7.926 -10.829 -10.308 1.00 0.00 C ATOM 558 CG ARG A 32 9.450 -10.772 -10.114 1.00 0.00 C ATOM 559 CD ARG A 32 10.093 -9.669 -10.971 1.00 0.00 C ATOM 560 NE ARG A 32 10.286 -10.088 -12.372 1.00 0.00 N ATOM 561 CZ ARG A 32 11.259 -10.849 -12.846 1.00 0.00 C ATOM 562 NH1 ARG A 32 11.302 -11.132 -14.117 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.199 -11.345 -12.093 1.00 0.00 N ATOM 0 H ARG A 32 8.487 -8.434 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 32 6.096 -9.917 -9.673 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.598 -11.864 -10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.689 -10.511 -11.323 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.676 -10.594 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.886 -11.736 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.465 -8.779 -10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.056 -9.393 -10.541 1.00 0.00 H new ATOM 0 HE ARG A 32 9.597 -9.756 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.586 -10.767 -14.745 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.052 -11.719 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.205 -11.152 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.929 -11.927 -12.505 1.00 0.00 H new ATOM 577 N ALA A 33 6.945 -9.752 -6.900 1.00 0.00 N ATOM 578 CA ALA A 33 6.981 -10.082 -5.474 1.00 0.00 C ATOM 579 C ALA A 33 8.246 -10.843 -5.002 1.00 0.00 C ATOM 580 O ALA A 33 8.894 -10.427 -4.044 1.00 0.00 O ATOM 581 CB ALA A 33 5.662 -10.784 -5.146 1.00 0.00 C ATOM 0 H ALA A 33 6.859 -8.747 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 33 7.071 -9.162 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.644 -11.050 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.830 -10.116 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.571 -11.688 -5.749 1.00 0.00 H new ATOM 587 N SER A 34 8.654 -11.905 -5.698 1.00 0.00 N ATOM 588 CA SER A 34 9.793 -12.776 -5.368 1.00 0.00 C ATOM 589 C SER A 34 11.170 -12.100 -5.461 1.00 0.00 C ATOM 590 O SER A 34 12.140 -12.613 -4.902 1.00 0.00 O ATOM 591 CB SER A 34 9.782 -14.012 -6.276 1.00 0.00 C ATOM 592 OG SER A 34 8.567 -14.731 -6.124 1.00 0.00 O ATOM 0 H SER A 34 8.178 -12.199 -6.551 1.00 0.00 H new ATOM 0 HA SER A 34 9.656 -13.046 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.904 -13.708 -7.316 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.626 -14.657 -6.032 1.00 0.00 H new ATOM 0 HG SER A 34 8.575 -15.515 -6.711 1.00 0.00 H new ATOM 598 N ASP A 35 11.272 -10.946 -6.133 1.00 0.00 N ATOM 599 CA ASP A 35 12.491 -10.120 -6.160 1.00 0.00 C ATOM 600 C ASP A 35 12.600 -9.145 -4.966 1.00 0.00 C ATOM 601 O ASP A 35 13.604 -8.441 -4.831 1.00 0.00 O ATOM 602 CB ASP A 35 12.611 -9.411 -7.520 1.00 0.00 C ATOM 603 CG ASP A 35 13.280 -10.325 -8.560 1.00 0.00 C ATOM 604 OD1 ASP A 35 12.561 -10.971 -9.356 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.533 -10.391 -8.589 1.00 0.00 O ATOM 0 H ASP A 35 10.505 -10.554 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 35 13.345 -10.787 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.621 -9.119 -7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.192 -8.496 -7.407 1.00 0.00 H new ATOM 610 N TRP A 36 11.596 -9.102 -4.082 1.00 0.00 N ATOM 611 CA TRP A 36 11.606 -8.337 -2.837 1.00 0.00 C ATOM 612 C TRP A 36 12.116 -9.200 -1.668 1.00 0.00 C ATOM 613 O TRP A 36 12.230 -10.426 -1.763 1.00 0.00 O ATOM 614 CB TRP A 36 10.193 -7.806 -2.552 1.00 0.00 C ATOM 615 CG TRP A 36 9.455 -7.075 -3.640 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.957 -6.602 -4.809 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.045 -6.696 -3.637 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.959 -5.967 -5.523 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.774 -5.955 -4.824 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.969 -6.892 -2.743 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.519 -5.399 -5.089 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.704 -6.324 -2.991 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.481 -5.575 -4.158 1.00 0.00 C ATOM 0 H TRP A 36 10.727 -9.617 -4.222 1.00 0.00 H new ATOM 0 HA TRP A 36 12.287 -7.493 -2.943 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.578 -8.653 -2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.260 -7.138 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.982 -6.706 -5.132 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.085 -5.559 -6.450 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.119 -7.487 -1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.349 -4.841 -5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.902 -6.465 -2.281 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.512 -5.134 -4.340 1.00 0.00 H new ATOM 634 N LYS A 37 12.385 -8.561 -0.526 1.00 0.00 N ATOM 635 CA LYS A 37 12.888 -9.195 0.710 1.00 0.00 C ATOM 636 C LYS A 37 11.807 -9.925 1.528 1.00 0.00 C ATOM 637 O LYS A 37 11.677 -9.726 2.734 1.00 0.00 O ATOM 638 CB LYS A 37 13.727 -8.175 1.512 1.00 0.00 C ATOM 639 CG LYS A 37 15.190 -8.230 1.057 1.00 0.00 C ATOM 640 CD LYS A 37 16.106 -7.407 1.970 1.00 0.00 C ATOM 641 CE LYS A 37 17.533 -7.944 1.829 1.00 0.00 C ATOM 642 NZ LYS A 37 18.503 -7.163 2.640 1.00 0.00 N ATOM 0 H LYS A 37 12.256 -7.554 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 37 13.551 -10.012 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.330 -7.170 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.660 -8.394 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.527 -9.266 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.266 -7.857 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.068 -6.353 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.774 -7.479 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.560 -8.989 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.830 -7.914 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.457 -7.559 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.497 -6.171 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.235 -7.212 3.644 1.00 0.00 H new ATOM 656 N LEU A 38 11.057 -10.819 0.881 1.00 0.00 N ATOM 657 CA LEU A 38 9.918 -11.541 1.473 1.00 0.00 C ATOM 658 C LEU A 38 10.266 -12.359 2.730 1.00 0.00 C ATOM 659 O LEU A 38 9.407 -12.547 3.592 1.00 0.00 O ATOM 660 CB LEU A 38 9.292 -12.482 0.427 1.00 0.00 C ATOM 661 CG LEU A 38 8.826 -11.822 -0.881 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.122 -12.876 -1.739 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.863 -10.658 -0.652 1.00 0.00 C ATOM 0 H LEU A 38 11.225 -11.071 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 38 9.216 -10.769 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.020 -13.255 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.437 -12.982 0.883 1.00 0.00 H new ATOM 0 HG LEU A 38 9.711 -11.422 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.786 -12.421 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.816 -13.687 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.263 -13.271 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.570 -10.234 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.977 -11.017 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.354 -9.892 -0.052 1.00 0.00 H new ATOM 675 N ASP A 39 11.512 -12.835 2.856 1.00 0.00 N ATOM 676 CA ASP A 39 11.955 -13.652 3.998 1.00 0.00 C ATOM 677 C ASP A 39 12.548 -12.809 5.150 1.00 0.00 C ATOM 678 O ASP A 39 12.840 -13.336 6.225 1.00 0.00 O ATOM 679 CB ASP A 39 12.921 -14.735 3.488 1.00 0.00 C ATOM 680 CG ASP A 39 13.171 -15.852 4.520 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.351 -16.153 4.824 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.189 -16.482 4.984 1.00 0.00 O ATOM 0 H ASP A 39 12.245 -12.665 2.167 1.00 0.00 H new ATOM 0 HA ASP A 39 11.085 -14.137 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.517 -15.174 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.872 -14.271 3.225 1.00 0.00 H new ATOM 687 N GLN A 40 12.707 -11.495 4.941 1.00 0.00 N ATOM 688 CA GLN A 40 13.222 -10.542 5.935 1.00 0.00 C ATOM 689 C GLN A 40 12.627 -9.125 5.740 1.00 0.00 C ATOM 690 O GLN A 40 13.324 -8.225 5.255 1.00 0.00 O ATOM 691 CB GLN A 40 14.770 -10.557 5.971 1.00 0.00 C ATOM 692 CG GLN A 40 15.507 -10.455 4.621 1.00 0.00 C ATOM 693 CD GLN A 40 15.646 -11.789 3.884 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.057 -12.803 4.431 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.344 -11.840 2.603 1.00 0.00 N ATOM 0 H GLN A 40 12.475 -11.053 4.052 1.00 0.00 H new ATOM 0 HA GLN A 40 12.886 -10.867 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.101 -9.731 6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.088 -11.478 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.975 -9.752 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.501 -10.041 4.792 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.000 -11.006 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.455 -12.713 2.087 1.00 0.00 H new ATOM 704 N PRO A 41 11.347 -8.893 6.107 1.00 0.00 N ATOM 705 CA PRO A 41 10.737 -7.562 6.069 1.00 0.00 C ATOM 706 C PRO A 41 11.515 -6.533 6.903 1.00 0.00 C ATOM 707 O PRO A 41 12.030 -6.829 7.985 1.00 0.00 O ATOM 708 CB PRO A 41 9.290 -7.726 6.563 1.00 0.00 C ATOM 709 CG PRO A 41 9.332 -9.027 7.362 1.00 0.00 C ATOM 710 CD PRO A 41 10.394 -9.856 6.641 1.00 0.00 C ATOM 0 HA PRO A 41 10.758 -7.168 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.979 -6.884 7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.587 -7.787 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.600 -8.850 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.364 -9.528 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.881 -10.551 7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.951 -10.452 5.843 1.00 0.00 H new ATOM 718 N ASP A 42 11.566 -5.301 6.399 1.00 0.00 N ATOM 719 CA ASP A 42 12.175 -4.147 7.071 1.00 0.00 C ATOM 720 C ASP A 42 11.322 -3.668 8.262 1.00 0.00 C ATOM 721 O ASP A 42 11.847 -3.146 9.248 1.00 0.00 O ATOM 722 CB ASP A 42 12.355 -3.038 6.025 1.00 0.00 C ATOM 723 CG ASP A 42 13.036 -1.784 6.593 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.438 -0.687 6.483 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.188 -1.880 7.081 1.00 0.00 O ATOM 0 H ASP A 42 11.175 -5.068 5.486 1.00 0.00 H new ATOM 0 HA ASP A 42 13.142 -4.428 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.947 -3.422 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.380 -2.764 5.622 1.00 0.00 H new ATOM 730 N TRP A 43 10.005 -3.891 8.182 1.00 0.00 N ATOM 731 CA TRP A 43 9.021 -3.623 9.234 1.00 0.00 C ATOM 732 C TRP A 43 7.781 -4.516 9.053 1.00 0.00 C ATOM 733 O TRP A 43 7.437 -4.885 7.928 1.00 0.00 O ATOM 734 CB TRP A 43 8.645 -2.134 9.184 1.00 0.00 C ATOM 735 CG TRP A 43 7.503 -1.707 10.051 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.592 -1.179 11.292 1.00 0.00 C ATOM 737 CD2 TRP A 43 6.080 -1.731 9.728 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.328 -0.854 11.749 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.361 -1.140 10.807 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.331 -2.194 8.626 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.971 -0.957 10.765 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.936 -2.003 8.572 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.255 -1.387 9.636 1.00 0.00 C ATOM 0 H TRP A 43 9.578 -4.282 7.342 1.00 0.00 H new ATOM 0 HA TRP A 43 9.447 -3.854 10.210 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.522 -1.550 9.463 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.406 -1.876 8.152 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.510 -1.033 11.842 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.135 -0.453 12.667 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.832 -2.701 7.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.457 -0.490 11.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.384 -2.333 7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.186 -1.245 9.586 1.00 0.00 H new ATOM 754 N THR A 44 7.080 -4.837 10.144 1.00 0.00 N ATOM 755 CA THR A 44 5.768 -5.508 10.113 1.00 0.00 C ATOM 756 C THR A 44 4.775 -4.853 11.072 1.00 0.00 C ATOM 757 O THR A 44 5.156 -4.331 12.124 1.00 0.00 O ATOM 758 CB THR A 44 5.860 -7.008 10.427 1.00 0.00 C ATOM 759 OG1 THR A 44 6.422 -7.256 11.700 1.00 0.00 O ATOM 760 CG2 THR A 44 6.683 -7.777 9.406 1.00 0.00 C ATOM 0 H THR A 44 7.408 -4.637 11.089 1.00 0.00 H new ATOM 0 HA THR A 44 5.408 -5.396 9.090 1.00 0.00 H new ATOM 0 HB THR A 44 4.827 -7.355 10.398 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.753 -8.178 11.737 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.712 -8.831 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.230 -7.672 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.698 -7.380 9.383 1.00 0.00 H new ATOM 768 N GLY A 45 3.488 -4.904 10.729 1.00 0.00 N ATOM 769 CA GLY A 45 2.430 -4.287 11.530 1.00 0.00 C ATOM 770 C GLY A 45 1.041 -4.376 10.904 1.00 0.00 C ATOM 771 O GLY A 45 0.681 -5.396 10.316 1.00 0.00 O ATOM 0 H GLY A 45 3.149 -5.374 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.406 -4.764 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.677 -3.238 11.692 1.00 0.00 H new ATOM 775 N ARG A 46 0.260 -3.306 11.066 1.00 0.00 N ATOM 776 CA ARG A 46 -1.151 -3.169 10.681 1.00 0.00 C ATOM 777 C ARG A 46 -1.316 -2.303 9.430 1.00 0.00 C ATOM 778 O ARG A 46 -0.625 -1.294 9.262 1.00 0.00 O ATOM 779 CB ARG A 46 -1.941 -2.540 11.844 1.00 0.00 C ATOM 780 CG ARG A 46 -1.862 -3.305 13.176 1.00 0.00 C ATOM 781 CD ARG A 46 -2.601 -2.499 14.257 1.00 0.00 C ATOM 782 NE ARG A 46 -2.959 -3.321 15.433 1.00 0.00 N ATOM 783 CZ ARG A 46 -2.871 -2.981 16.709 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.464 -3.700 17.617 1.00 0.00 N ATOM 785 NH2 ARG A 46 -2.194 -1.946 17.120 1.00 0.00 N ATOM 0 H ARG A 46 0.618 -2.454 11.498 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.535 -4.164 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.576 -1.525 12.004 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.988 -2.460 11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.310 -4.293 13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.821 -3.456 13.463 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.974 -1.667 14.577 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.507 -2.069 13.829 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.314 -4.257 15.238 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.997 -4.526 17.346 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.396 -3.437 18.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.703 -1.358 16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.156 -1.724 18.115 1.00 0.00 H new ATOM 799 N LEU A 47 -2.289 -2.661 8.597 1.00 0.00 N ATOM 800 CA LEU A 47 -2.806 -1.847 7.497 1.00 0.00 C ATOM 801 C LEU A 47 -3.971 -0.976 7.981 1.00 0.00 C ATOM 802 O LEU A 47 -4.906 -1.486 8.604 1.00 0.00 O ATOM 803 CB LEU A 47 -3.301 -2.784 6.378 1.00 0.00 C ATOM 804 CG LEU A 47 -3.975 -2.072 5.183 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.963 -1.312 4.327 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.689 -3.105 4.323 1.00 0.00 C ATOM 0 H LEU A 47 -2.759 -3.563 8.672 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.014 -1.198 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.454 -3.362 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.009 -3.494 6.805 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.685 -1.347 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.479 -0.827 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.465 -0.558 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.222 -2.009 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.166 -2.608 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.967 -3.833 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.446 -3.614 4.919 1.00 0.00 H new ATOM 818 N ARG A 48 -3.985 0.289 7.557 1.00 0.00 N ATOM 819 CA ARG A 48 -5.184 1.128 7.477 1.00 0.00 C ATOM 820 C ARG A 48 -5.262 1.780 6.094 1.00 0.00 C ATOM 821 O ARG A 48 -4.295 2.367 5.616 1.00 0.00 O ATOM 822 CB ARG A 48 -5.159 2.167 8.612 1.00 0.00 C ATOM 823 CG ARG A 48 -6.480 2.952 8.713 1.00 0.00 C ATOM 824 CD ARG A 48 -6.434 4.062 9.774 1.00 0.00 C ATOM 825 NE ARG A 48 -6.029 3.569 11.102 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.745 2.910 11.991 1.00 0.00 C ATOM 827 NH1 ARG A 48 -6.178 2.482 13.078 1.00 0.00 N ATOM 828 NH2 ARG A 48 -8.015 2.657 11.826 1.00 0.00 N ATOM 0 H ARG A 48 -3.140 0.772 7.251 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.081 0.523 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.965 1.663 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.337 2.863 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.711 3.392 7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.290 2.262 8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.738 4.837 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.417 4.527 9.849 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.064 3.764 11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.186 2.657 13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.725 1.971 13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.493 2.973 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.530 2.143 12.541 1.00 0.00 H new ATOM 842 N ILE A 49 -6.429 1.712 5.467 1.00 0.00 N ATOM 843 CA ILE A 49 -6.805 2.548 4.326 1.00 0.00 C ATOM 844 C ILE A 49 -7.873 3.523 4.818 1.00 0.00 C ATOM 845 O ILE A 49 -8.833 3.139 5.488 1.00 0.00 O ATOM 846 CB ILE A 49 -7.263 1.729 3.102 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.290 0.574 2.786 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.406 2.659 1.882 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.704 -0.233 1.551 1.00 0.00 C ATOM 0 H ILE A 49 -7.162 1.058 5.742 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.934 3.094 3.963 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.229 1.282 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.290 0.980 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.233 -0.092 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.730 2.079 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.144 3.431 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.445 3.126 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.982 -1.031 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.691 -0.666 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.734 0.423 0.681 1.00 0.00 H new ATOM 861 N THR A 50 -7.668 4.788 4.492 1.00 0.00 N ATOM 862 CA THR A 50 -8.366 5.974 5.001 1.00 0.00 C ATOM 863 C THR A 50 -8.553 6.952 3.843 1.00 0.00 C ATOM 864 O THR A 50 -7.783 6.921 2.890 1.00 0.00 O ATOM 865 CB THR A 50 -7.588 6.594 6.173 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.226 6.220 6.258 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.229 6.143 7.483 1.00 0.00 C ATOM 0 H THR A 50 -6.953 5.041 3.810 1.00 0.00 H new ATOM 0 HA THR A 50 -9.347 5.705 5.392 1.00 0.00 H new ATOM 0 HB THR A 50 -7.629 7.669 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.834 6.207 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.685 6.577 8.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.267 6.474 7.513 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.193 5.056 7.550 1.00 0.00 H new ATOM 875 N SER A 51 -9.588 7.786 3.838 1.00 0.00 N ATOM 876 CA SER A 51 -9.953 8.593 2.668 1.00 0.00 C ATOM 877 C SER A 51 -10.843 9.764 3.043 1.00 0.00 C ATOM 878 O SER A 51 -11.491 9.745 4.082 1.00 0.00 O ATOM 879 CB SER A 51 -10.674 7.716 1.645 1.00 0.00 C ATOM 880 OG SER A 51 -11.921 7.273 2.157 1.00 0.00 O ATOM 0 H SER A 51 -10.200 7.925 4.642 1.00 0.00 H new ATOM 0 HA SER A 51 -9.033 8.993 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.832 8.277 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.053 6.857 1.392 1.00 0.00 H new ATOM 0 HG SER A 51 -11.800 6.941 3.071 1.00 0.00 H new ATOM 886 N LYS A 52 -10.848 10.830 2.252 1.00 0.00 N ATOM 887 CA LYS A 52 -11.560 12.056 2.603 1.00 0.00 C ATOM 888 C LYS A 52 -12.412 12.591 1.441 1.00 0.00 C ATOM 889 O LYS A 52 -13.460 12.011 1.156 1.00 0.00 O ATOM 890 CB LYS A 52 -10.568 13.027 3.249 1.00 0.00 C ATOM 891 CG LYS A 52 -9.749 12.488 4.428 1.00 0.00 C ATOM 892 CD LYS A 52 -8.762 13.544 4.949 1.00 0.00 C ATOM 893 CE LYS A 52 -7.784 12.840 5.893 1.00 0.00 C ATOM 894 NZ LYS A 52 -6.929 13.773 6.661 1.00 0.00 N ATOM 0 H LYS A 52 -10.363 10.871 1.356 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.324 11.868 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.875 13.368 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.121 13.902 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.420 12.186 5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.202 11.598 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.227 14.009 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.293 14.339 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.347 12.219 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.148 12.172 5.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.292 13.231 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.366 14.349 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.528 14.395 7.241 1.00 0.00 H new ATOM 908 N GLY A 53 -11.979 13.662 0.769 1.00 0.00 N ATOM 909 CA GLY A 53 -12.552 14.129 -0.504 1.00 0.00 C ATOM 910 C GLY A 53 -12.075 13.267 -1.677 1.00 0.00 C ATOM 911 O GLY A 53 -12.149 12.037 -1.633 1.00 0.00 O ATOM 0 H GLY A 53 -11.207 14.241 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.640 14.101 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.268 15.168 -0.674 1.00 0.00 H new ATOM 915 N LYS A 54 -11.500 13.899 -2.704 1.00 0.00 N ATOM 916 CA LYS A 54 -10.848 13.232 -3.852 1.00 0.00 C ATOM 917 C LYS A 54 -9.448 12.691 -3.503 1.00 0.00 C ATOM 918 O LYS A 54 -8.536 12.732 -4.329 1.00 0.00 O ATOM 919 CB LYS A 54 -10.823 14.174 -5.071 1.00 0.00 C ATOM 920 CG LYS A 54 -12.226 14.648 -5.478 1.00 0.00 C ATOM 921 CD LYS A 54 -12.177 15.628 -6.654 1.00 0.00 C ATOM 922 CE LYS A 54 -13.590 16.167 -6.892 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.618 17.173 -7.988 1.00 0.00 N ATOM 0 H LYS A 54 -11.470 14.917 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.443 12.357 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.202 15.041 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.358 13.661 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.836 13.786 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.709 15.126 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.490 16.446 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.806 15.129 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.258 15.341 -7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.967 16.618 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.591 17.515 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.000 17.972 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.282 16.735 -8.870 1.00 0.00 H new ATOM 937 N THR A 55 -9.250 12.230 -2.264 1.00 0.00 N ATOM 938 CA THR A 55 -7.943 11.799 -1.748 1.00 0.00 C ATOM 939 C THR A 55 -8.100 10.599 -0.818 1.00 0.00 C ATOM 940 O THR A 55 -8.947 10.608 0.079 1.00 0.00 O ATOM 941 CB THR A 55 -7.209 12.937 -1.007 1.00 0.00 C ATOM 942 OG1 THR A 55 -7.336 14.176 -1.681 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.709 12.666 -0.871 1.00 0.00 C ATOM 0 H THR A 55 -10.002 12.144 -1.580 1.00 0.00 H new ATOM 0 HA THR A 55 -7.340 11.514 -2.610 1.00 0.00 H new ATOM 0 HB THR A 55 -7.679 12.982 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.860 14.871 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.236 13.494 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.555 11.744 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.266 12.567 -1.862 1.00 0.00 H new ATOM 951 N ALA A 56 -7.257 9.588 -1.013 1.00 0.00 N ATOM 952 CA ALA A 56 -7.090 8.449 -0.117 1.00 0.00 C ATOM 953 C ALA A 56 -5.683 8.432 0.497 1.00 0.00 C ATOM 954 O ALA A 56 -4.764 9.098 0.028 1.00 0.00 O ATOM 955 CB ALA A 56 -7.439 7.142 -0.837 1.00 0.00 C ATOM 0 H ALA A 56 -6.649 9.539 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.788 8.550 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.308 6.304 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.475 7.178 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.782 7.014 -1.697 1.00 0.00 H new ATOM 961 N TYR A 57 -5.540 7.670 1.570 1.00 0.00 N ATOM 962 CA TYR A 57 -4.382 7.617 2.448 1.00 0.00 C ATOM 963 C TYR A 57 -4.187 6.170 2.927 1.00 0.00 C ATOM 964 O TYR A 57 -4.966 5.676 3.747 1.00 0.00 O ATOM 965 CB TYR A 57 -4.627 8.571 3.635 1.00 0.00 C ATOM 966 CG TYR A 57 -4.952 10.010 3.260 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.906 10.918 3.009 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.294 10.444 3.159 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.192 12.262 2.694 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.581 11.776 2.812 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.534 12.696 2.604 1.00 0.00 C ATOM 972 OH TYR A 57 -5.829 13.995 2.331 1.00 0.00 O ATOM 0 H TYR A 57 -6.277 7.031 1.870 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.477 7.930 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.447 8.175 4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.740 8.570 4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.880 10.584 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.100 9.751 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.386 12.960 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.607 12.095 2.705 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.802 14.111 2.306 1.00 0.00 H new ATOM 982 N ILE A 58 -3.157 5.480 2.432 1.00 0.00 N ATOM 983 CA ILE A 58 -2.732 4.181 2.973 1.00 0.00 C ATOM 984 C ILE A 58 -1.771 4.473 4.126 1.00 0.00 C ATOM 985 O ILE A 58 -0.651 4.928 3.892 1.00 0.00 O ATOM 986 CB ILE A 58 -2.105 3.258 1.897 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.093 2.812 0.794 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.558 1.977 2.559 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.365 3.858 -0.289 1.00 0.00 C ATOM 0 H ILE A 58 -2.593 5.803 1.646 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.597 3.623 3.331 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.321 3.854 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.703 1.912 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.039 2.541 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.119 1.333 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.797 2.243 3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.371 1.448 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.069 3.454 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.789 4.753 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.432 4.114 -0.790 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.212 4.240 5.365 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.420 4.439 6.587 1.00 0.00 C ATOM 1003 C LYS A 59 -1.036 3.100 7.226 1.00 0.00 C ATOM 1004 O LYS A 59 -1.881 2.236 7.451 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.171 5.368 7.559 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.505 6.718 6.895 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.709 7.843 7.914 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.984 9.170 7.201 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.185 10.272 8.176 1.00 0.00 N ATOM 0 H LYS A 59 -3.154 3.899 5.554 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.482 4.929 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.091 4.885 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.562 5.537 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.700 6.992 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.408 6.609 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.542 7.598 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.823 7.938 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.150 9.411 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.869 9.071 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.369 11.159 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.996 10.050 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.331 10.380 8.759 1.00 0.00 H new ATOM 1023 N LEU A 60 0.249 2.927 7.519 1.00 0.00 N ATOM 1024 CA LEU A 60 0.807 1.740 8.176 1.00 0.00 C ATOM 1025 C LEU A 60 1.066 2.029 9.656 1.00 0.00 C ATOM 1026 O LEU A 60 1.671 3.046 9.991 1.00 0.00 O ATOM 1027 CB LEU A 60 2.077 1.299 7.430 1.00 0.00 C ATOM 1028 CG LEU A 60 1.837 0.187 6.394 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.760 0.512 5.354 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.141 -0.068 5.644 1.00 0.00 C ATOM 0 H LEU A 60 0.957 3.629 7.301 1.00 0.00 H new ATOM 0 HA LEU A 60 0.095 0.916 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.510 2.164 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.812 0.953 8.157 1.00 0.00 H new ATOM 0 HG LEU A 60 1.489 -0.680 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.656 -0.325 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.191 0.687 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.047 1.406 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.988 -0.854 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.456 0.846 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.912 -0.378 6.349 1.00 0.00 H new ATOM 1042 N GLU A 61 0.613 1.143 10.542 1.00 0.00 N ATOM 1043 CA GLU A 61 0.581 1.373 11.995 1.00 0.00 C ATOM 1044 C GLU A 61 1.133 0.185 12.792 1.00 0.00 C ATOM 1045 O GLU A 61 1.028 -0.967 12.376 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.851 1.694 12.453 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.328 3.077 11.981 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.803 3.357 12.327 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.391 4.288 11.732 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.418 2.651 13.162 1.00 0.00 O ATOM 0 H GLU A 61 0.251 0.229 10.271 1.00 0.00 H new ATOM 0 HA GLU A 61 1.230 2.226 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.530 0.931 12.072 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.899 1.649 13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.702 3.845 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.193 3.153 10.902 1.00 0.00 H new ATOM 1057 N ASP A 62 1.725 0.443 13.956 1.00 0.00 N ATOM 1058 CA ASP A 62 2.319 -0.587 14.804 1.00 0.00 C ATOM 1059 C ASP A 62 1.254 -1.496 15.436 1.00 0.00 C ATOM 1060 O ASP A 62 0.194 -1.046 15.882 1.00 0.00 O ATOM 1061 CB ASP A 62 3.163 0.099 15.875 1.00 0.00 C ATOM 1062 CG ASP A 62 4.051 -0.905 16.610 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.545 -1.497 17.585 1.00 0.00 O ATOM 1064 OD2 ASP A 62 5.211 -1.123 16.193 1.00 0.00 O ATOM 0 H ASP A 62 1.806 1.384 14.341 1.00 0.00 H new ATOM 0 HA ASP A 62 2.948 -1.234 14.192 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.784 0.868 15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.510 0.601 16.589 1.00 0.00 H new ATOM 1069 N LYS A 63 1.563 -2.791 15.514 1.00 0.00 N ATOM 1070 CA LYS A 63 0.677 -3.847 16.033 1.00 0.00 C ATOM 1071 C LYS A 63 0.606 -3.961 17.558 1.00 0.00 C ATOM 1072 O LYS A 63 -0.209 -4.728 18.073 1.00 0.00 O ATOM 1073 CB LYS A 63 1.002 -5.193 15.354 1.00 0.00 C ATOM 1074 CG LYS A 63 2.512 -5.462 15.311 1.00 0.00 C ATOM 1075 CD LYS A 63 2.849 -6.870 14.817 1.00 0.00 C ATOM 1076 CE LYS A 63 4.310 -6.889 14.354 1.00 0.00 C ATOM 1077 NZ LYS A 63 4.696 -8.205 13.785 1.00 0.00 N ATOM 0 H LYS A 63 2.467 -3.151 15.208 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.335 -3.543 15.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.505 -6.000 15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.604 -5.193 14.339 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.989 -4.729 14.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.930 -5.322 16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.695 -7.597 15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.189 -7.151 13.997 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.463 -6.111 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.960 -6.653 15.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.342 -8.060 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.172 -8.772 14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.845 -8.705 13.459 1.00 0.00 H new ATOM 1091 N VAL A 64 1.407 -3.179 18.278 1.00 0.00 N ATOM 1092 CA VAL A 64 1.444 -3.128 19.745 1.00 0.00 C ATOM 1093 C VAL A 64 1.160 -1.715 20.261 1.00 0.00 C ATOM 1094 O VAL A 64 0.360 -1.557 21.185 1.00 0.00 O ATOM 1095 CB VAL A 64 2.805 -3.654 20.244 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.962 -3.542 21.766 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.008 -5.127 19.861 1.00 0.00 C ATOM 0 H VAL A 64 2.073 -2.539 17.845 1.00 0.00 H new ATOM 0 HA VAL A 64 0.657 -3.769 20.142 1.00 0.00 H new ATOM 0 HB VAL A 64 3.553 -3.025 19.761 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.938 -3.927 22.060 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.879 -2.497 22.064 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.180 -4.123 22.256 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.976 -5.468 20.227 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.218 -5.731 20.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.974 -5.229 18.776 1.00 0.00 H new ATOM 1107 N SER A 65 1.754 -0.684 19.651 1.00 0.00 N ATOM 1108 CA SER A 65 1.634 0.711 20.113 1.00 0.00 C ATOM 1109 C SER A 65 0.567 1.519 19.362 1.00 0.00 C ATOM 1110 O SER A 65 0.111 2.550 19.859 1.00 0.00 O ATOM 1111 CB SER A 65 2.990 1.417 20.006 1.00 0.00 C ATOM 1112 OG SER A 65 3.951 0.786 20.840 1.00 0.00 O ATOM 0 H SER A 65 2.335 -0.790 18.819 1.00 0.00 H new ATOM 0 HA SER A 65 1.311 0.662 21.153 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.333 1.402 18.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.884 2.464 20.292 1.00 0.00 H new ATOM 0 HG SER A 65 4.811 1.249 20.757 1.00 0.00 H new ATOM 1118 N GLY A 66 0.173 1.074 18.163 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.786 1.772 17.289 1.00 0.00 C ATOM 1120 C GLY A 66 -0.217 3.029 16.614 1.00 0.00 C ATOM 1121 O GLY A 66 -0.966 3.829 16.053 1.00 0.00 O ATOM 0 H GLY A 66 0.517 0.201 17.762 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.128 1.082 16.518 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.660 2.052 17.877 1.00 0.00 H new ATOM 1125 N GLU A 67 1.101 3.227 16.689 1.00 0.00 N ATOM 1126 CA GLU A 67 1.805 4.412 16.198 1.00 0.00 C ATOM 1127 C GLU A 67 2.112 4.325 14.693 1.00 0.00 C ATOM 1128 O GLU A 67 2.275 3.233 14.148 1.00 0.00 O ATOM 1129 CB GLU A 67 3.051 4.657 17.064 1.00 0.00 C ATOM 1130 CG GLU A 67 4.203 3.666 16.845 1.00 0.00 C ATOM 1131 CD GLU A 67 5.398 4.009 17.757 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.293 4.779 17.331 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.449 3.513 18.908 1.00 0.00 O ATOM 0 H GLU A 67 1.729 2.542 17.108 1.00 0.00 H new ATOM 0 HA GLU A 67 1.155 5.281 16.295 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.417 5.665 16.869 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.757 4.622 18.113 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.861 2.652 17.051 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.517 3.690 15.801 1.00 0.00 H new ATOM 1140 N LEU A 68 2.190 5.470 14.010 1.00 0.00 N ATOM 1141 CA LEU A 68 2.377 5.533 12.556 1.00 0.00 C ATOM 1142 C LEU A 68 3.814 5.150 12.150 1.00 0.00 C ATOM 1143 O LEU A 68 4.783 5.749 12.623 1.00 0.00 O ATOM 1144 CB LEU A 68 1.999 6.945 12.062 1.00 0.00 C ATOM 1145 CG LEU A 68 1.947 7.086 10.527 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.703 6.422 9.937 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.912 8.561 10.127 1.00 0.00 C ATOM 0 H LEU A 68 2.125 6.387 14.453 1.00 0.00 H new ATOM 0 HA LEU A 68 1.722 4.803 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.026 7.213 12.473 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.720 7.661 12.457 1.00 0.00 H new ATOM 0 HG LEU A 68 2.841 6.597 10.140 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.705 6.544 8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.706 5.360 10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.190 6.888 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.875 8.643 9.041 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.029 9.034 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.807 9.060 10.498 1.00 0.00 H new ATOM 1159 N PHE A 69 3.944 4.197 11.225 1.00 0.00 N ATOM 1160 CA PHE A 69 5.201 3.850 10.555 1.00 0.00 C ATOM 1161 C PHE A 69 5.433 4.733 9.318 1.00 0.00 C ATOM 1162 O PHE A 69 6.463 5.404 9.214 1.00 0.00 O ATOM 1163 CB PHE A 69 5.190 2.355 10.190 1.00 0.00 C ATOM 1164 CG PHE A 69 6.306 1.927 9.251 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.641 1.918 9.699 1.00 0.00 C ATOM 1166 CD2 PHE A 69 6.020 1.571 7.916 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.680 1.551 8.823 1.00 0.00 C ATOM 1168 CE2 PHE A 69 7.061 1.228 7.037 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.391 1.208 7.492 1.00 0.00 C ATOM 0 H PHE A 69 3.157 3.629 10.912 1.00 0.00 H new ATOM 0 HA PHE A 69 6.032 4.037 11.236 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.259 1.770 11.107 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.232 2.114 9.729 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.869 2.194 10.718 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.997 1.562 7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.701 1.533 9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.839 0.979 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.189 0.929 6.820 1.00 0.00 H new ATOM 1179 N ALA A 70 4.465 4.750 8.395 1.00 0.00 N ATOM 1180 CA ALA A 70 4.514 5.497 7.137 1.00 0.00 C ATOM 1181 C ALA A 70 3.099 5.769 6.592 1.00 0.00 C ATOM 1182 O ALA A 70 2.150 5.059 6.939 1.00 0.00 O ATOM 1183 CB ALA A 70 5.336 4.683 6.128 1.00 0.00 C ATOM 0 H ALA A 70 3.597 4.226 8.509 1.00 0.00 H new ATOM 0 HA ALA A 70 4.982 6.467 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.386 5.221 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.344 4.535 6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.862 3.714 5.970 1.00 0.00 H new ATOM 1189 N GLN A 71 2.955 6.766 5.709 1.00 0.00 N ATOM 1190 CA GLN A 71 1.692 7.052 5.015 1.00 0.00 C ATOM 1191 C GLN A 71 1.891 7.418 3.538 1.00 0.00 C ATOM 1192 O GLN A 71 2.793 8.185 3.202 1.00 0.00 O ATOM 1193 CB GLN A 71 0.888 8.116 5.784 1.00 0.00 C ATOM 1194 CG GLN A 71 1.501 9.530 5.829 1.00 0.00 C ATOM 1195 CD GLN A 71 0.926 10.478 4.774 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.276 10.580 4.568 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.750 11.233 4.084 1.00 0.00 N ATOM 0 H GLN A 71 3.713 7.399 5.455 1.00 0.00 H new ATOM 0 HA GLN A 71 1.107 6.132 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.103 8.186 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.752 7.769 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.337 9.957 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.579 9.455 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.756 11.165 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.384 11.888 3.393 1.00 0.00 H new ATOM 1206 N ALA A 72 1.038 6.886 2.662 1.00 0.00 N ATOM 1207 CA ALA A 72 1.023 7.146 1.222 1.00 0.00 C ATOM 1208 C ALA A 72 -0.294 7.839 0.808 1.00 0.00 C ATOM 1209 O ALA A 72 -1.340 7.181 0.786 1.00 0.00 O ATOM 1210 CB ALA A 72 1.250 5.821 0.481 1.00 0.00 C ATOM 0 H ALA A 72 0.308 6.234 2.949 1.00 0.00 H new ATOM 0 HA ALA A 72 1.827 7.831 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.241 5.999 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.213 5.402 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.457 5.119 0.739 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.271 9.150 0.492 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.421 9.876 -0.038 1.00 0.00 C ATOM 1218 C PRO A 73 -1.613 9.591 -1.537 1.00 0.00 C ATOM 1219 O PRO A 73 -0.648 9.483 -2.296 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.129 11.353 0.243 1.00 0.00 C ATOM 1221 CG PRO A 73 0.395 11.426 0.142 1.00 0.00 C ATOM 1222 CD PRO A 73 0.854 10.060 0.658 1.00 0.00 C ATOM 0 HA PRO A 73 -2.356 9.568 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.614 12.006 -0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.483 11.654 1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.721 11.598 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.799 12.239 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.722 9.708 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.151 10.122 1.705 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.871 9.484 -1.960 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.310 9.020 -3.290 1.00 0.00 C ATOM 1232 C VAL A 74 -4.410 9.944 -3.815 1.00 0.00 C ATOM 1233 O VAL A 74 -5.385 10.193 -3.111 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.861 7.575 -3.213 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.040 6.965 -4.609 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.996 6.613 -2.393 1.00 0.00 C ATOM 0 H VAL A 74 -3.658 9.729 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.451 9.036 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.820 7.685 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.428 5.951 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.741 7.571 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.078 6.940 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.454 5.624 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.001 6.551 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.916 6.978 -1.369 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.295 10.439 -5.046 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.266 11.366 -5.663 1.00 0.00 C ATOM 1248 C GLU A 75 -6.282 10.654 -6.582 1.00 0.00 C ATOM 1249 O GLU A 75 -7.338 11.199 -6.906 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.539 12.467 -6.467 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.166 12.926 -5.943 1.00 0.00 C ATOM 1252 CD GLU A 75 -1.986 12.119 -6.538 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -0.950 12.741 -6.879 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.080 10.872 -6.663 1.00 0.00 O ATOM 0 H GLU A 75 -3.514 10.208 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.822 11.811 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.409 12.110 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.192 13.339 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.030 13.982 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.150 12.834 -4.857 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.936 9.446 -7.032 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.688 8.589 -7.953 1.00 0.00 C ATOM 1263 C GLN A 76 -6.169 7.144 -7.882 1.00 0.00 C ATOM 1264 O GLN A 76 -4.963 6.937 -7.713 1.00 0.00 O ATOM 1265 CB GLN A 76 -6.595 9.131 -9.399 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.238 9.005 -10.128 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.091 9.796 -9.493 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -3.829 10.940 -9.836 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.370 9.222 -8.550 1.00 0.00 N ATOM 0 H GLN A 76 -5.061 9.009 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.736 8.595 -7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.347 8.617 -9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.869 10.186 -9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.958 7.952 -10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.363 9.338 -11.158 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.580 8.268 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.602 9.732 -8.114 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.044 6.154 -8.075 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.678 4.738 -8.145 1.00 0.00 C ATOM 1280 C TYR A 77 -7.386 4.027 -9.319 1.00 0.00 C ATOM 1281 O TYR A 77 -8.619 4.074 -9.375 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.012 4.049 -6.817 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.493 2.632 -6.752 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.107 2.409 -6.714 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.383 1.544 -6.796 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.607 1.096 -6.755 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -6.886 0.227 -6.797 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.494 -0.002 -6.781 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.017 -1.276 -6.806 1.00 0.00 O ATOM 0 H TYR A 77 -8.044 6.317 -8.189 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.605 4.672 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.587 4.626 -5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.093 4.043 -6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.426 3.245 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.448 1.719 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.540 0.927 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.570 -0.608 -6.810 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.154 -1.311 -6.343 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.657 3.357 -10.239 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.193 3.250 -10.307 1.00 0.00 C ATOM 1301 C PRO A 78 -4.500 4.598 -10.585 1.00 0.00 C ATOM 1302 O PRO A 78 -5.067 5.485 -11.228 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.909 2.223 -11.409 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.118 2.356 -12.333 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.255 2.631 -11.352 1.00 0.00 C ATOM 0 HA PRO A 78 -4.786 2.937 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.977 2.441 -11.931 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.820 1.214 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.994 3.169 -13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.290 1.447 -12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.043 3.218 -11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.711 1.701 -11.012 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.273 4.750 -10.078 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.478 5.982 -10.150 1.00 0.00 C ATOM 1315 C GLY A 79 -1.020 5.803 -9.701 1.00 0.00 C ATOM 1316 O GLY A 79 -0.492 4.690 -9.700 1.00 0.00 O ATOM 0 H GLY A 79 -2.789 3.996 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.490 6.353 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.949 6.745 -9.530 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.357 6.901 -9.321 1.00 0.00 N ATOM 1321 CA ILE A 80 1.088 6.932 -9.006 1.00 0.00 C ATOM 1322 C ILE A 80 1.452 6.320 -7.641 1.00 0.00 C ATOM 1323 O ILE A 80 2.462 5.628 -7.522 1.00 0.00 O ATOM 1324 CB ILE A 80 1.624 8.381 -9.152 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.135 8.518 -8.868 1.00 0.00 C ATOM 1326 CG2 ILE A 80 0.886 9.393 -8.255 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.031 7.699 -9.801 1.00 0.00 C ATOM 0 H ILE A 80 -0.810 7.809 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 80 1.583 6.287 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 80 1.436 8.610 -10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.413 9.569 -8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.328 8.214 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.308 10.387 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.172 9.406 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.999 9.104 -7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.076 7.854 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.785 6.641 -9.706 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.871 8.018 -10.831 1.00 0.00 H new ATOM 1339 N ALA A 81 0.648 6.556 -6.602 1.00 0.00 N ATOM 1340 CA ALA A 81 0.998 6.249 -5.208 1.00 0.00 C ATOM 1341 C ALA A 81 0.628 4.832 -4.750 1.00 0.00 C ATOM 1342 O ALA A 81 0.817 4.509 -3.578 1.00 0.00 O ATOM 1343 CB ALA A 81 0.414 7.353 -4.324 1.00 0.00 C ATOM 0 H ALA A 81 -0.278 6.971 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 81 2.084 6.240 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.658 7.151 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.836 8.315 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.669 7.381 -4.444 1.00 0.00 H new ATOM 1349 N VAL A 82 0.142 3.987 -5.662 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.265 2.596 -5.412 1.00 0.00 C ATOM 1351 C VAL A 82 -0.066 1.769 -6.690 1.00 0.00 C ATOM 1352 O VAL A 82 -0.508 2.166 -7.767 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.740 2.497 -4.976 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.068 1.079 -4.486 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.183 3.471 -3.879 1.00 0.00 C ATOM 0 H VAL A 82 0.015 4.261 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 82 0.355 2.210 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.286 2.766 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.114 1.032 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.891 0.366 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.433 0.832 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.237 3.310 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.590 3.301 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.037 4.495 -4.221 1.00 0.00 H new ATOM 1365 N GLU A 83 0.583 0.613 -6.576 1.00 0.00 N ATOM 1366 CA GLU A 83 0.978 -0.266 -7.688 1.00 0.00 C ATOM 1367 C GLU A 83 0.885 -1.758 -7.328 1.00 0.00 C ATOM 1368 O GLU A 83 0.839 -2.124 -6.155 1.00 0.00 O ATOM 1369 CB GLU A 83 2.413 0.090 -8.135 1.00 0.00 C ATOM 1370 CG GLU A 83 2.442 0.756 -9.515 1.00 0.00 C ATOM 1371 CD GLU A 83 2.288 -0.272 -10.652 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.254 -0.456 -11.432 1.00 0.00 O ATOM 1373 OE2 GLU A 83 1.215 -0.909 -10.755 1.00 0.00 O ATOM 0 H GLU A 83 0.863 0.241 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 83 0.277 -0.100 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.865 0.758 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.020 -0.815 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.641 1.492 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.381 1.296 -9.638 1.00 0.00 H new ATOM 1380 N THR A 84 0.883 -2.628 -8.337 1.00 0.00 N ATOM 1381 CA THR A 84 0.754 -4.095 -8.216 1.00 0.00 C ATOM 1382 C THR A 84 2.013 -4.817 -8.713 1.00 0.00 C ATOM 1383 O THR A 84 2.845 -4.246 -9.430 1.00 0.00 O ATOM 1384 CB THR A 84 -0.476 -4.598 -8.999 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.343 -4.343 -10.382 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.774 -3.925 -8.543 1.00 0.00 C ATOM 0 H THR A 84 0.975 -2.325 -9.307 1.00 0.00 H new ATOM 0 HA THR A 84 0.626 -4.322 -7.158 1.00 0.00 H new ATOM 0 HB THR A 84 -0.526 -5.669 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.136 -4.674 -10.853 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.609 -4.314 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.940 -4.133 -7.486 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.698 -2.848 -8.693 1.00 0.00 H new ATOM 1394 N VAL A 85 2.166 -6.090 -8.339 1.00 0.00 N ATOM 1395 CA VAL A 85 3.143 -7.018 -8.926 1.00 0.00 C ATOM 1396 C VAL A 85 2.521 -7.789 -10.111 1.00 0.00 C ATOM 1397 O VAL A 85 1.324 -7.678 -10.390 1.00 0.00 O ATOM 1398 CB VAL A 85 3.668 -8.002 -7.866 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.299 -7.258 -6.691 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.571 -8.926 -7.349 1.00 0.00 C ATOM 0 H VAL A 85 1.603 -6.516 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 85 3.983 -6.431 -9.297 1.00 0.00 H new ATOM 0 HB VAL A 85 4.426 -8.612 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.661 -7.978 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.132 -6.653 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.554 -6.611 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.987 -9.603 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.778 -8.331 -6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.163 -9.505 -8.177 1.00 0.00 H new ATOM 1410 N THR A 86 3.314 -8.629 -10.773 1.00 0.00 N ATOM 1411 CA THR A 86 2.925 -9.465 -11.921 1.00 0.00 C ATOM 1412 C THR A 86 2.606 -10.911 -11.529 1.00 0.00 C ATOM 1413 O THR A 86 1.752 -11.545 -12.150 1.00 0.00 O ATOM 1414 CB THR A 86 4.045 -9.475 -12.976 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.209 -10.081 -12.454 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.439 -8.064 -13.406 1.00 0.00 C ATOM 0 H THR A 86 4.293 -8.756 -10.516 1.00 0.00 H new ATOM 0 HA THR A 86 2.016 -9.021 -12.327 1.00 0.00 H new ATOM 0 HB THR A 86 3.654 -10.029 -13.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.912 -10.081 -13.137 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.232 -8.119 -14.151 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.573 -7.559 -13.834 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.793 -7.505 -12.540 1.00 0.00 H new ATOM 1424 N ASP A 87 3.283 -11.443 -10.503 1.00 0.00 N ATOM 1425 CA ASP A 87 3.273 -12.880 -10.192 1.00 0.00 C ATOM 1426 C ASP A 87 2.133 -13.307 -9.251 1.00 0.00 C ATOM 1427 O ASP A 87 1.491 -14.332 -9.495 1.00 0.00 O ATOM 1428 CB ASP A 87 4.631 -13.276 -9.603 1.00 0.00 C ATOM 1429 CG ASP A 87 4.749 -14.801 -9.434 1.00 0.00 C ATOM 1430 OD1 ASP A 87 4.556 -15.306 -8.303 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.034 -15.498 -10.438 1.00 0.00 O ATOM 0 H ASP A 87 3.854 -10.889 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 87 3.091 -13.407 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.429 -12.918 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.765 -12.790 -8.637 1.00 0.00 H new ATOM 1436 N SER A 88 1.872 -12.530 -8.191 1.00 0.00 N ATOM 1437 CA SER A 88 0.851 -12.876 -7.178 1.00 0.00 C ATOM 1438 C SER A 88 0.099 -11.661 -6.632 1.00 0.00 C ATOM 1439 O SER A 88 0.700 -10.736 -6.095 1.00 0.00 O ATOM 1440 CB SER A 88 1.495 -13.662 -6.031 1.00 0.00 C ATOM 1441 OG SER A 88 0.508 -14.018 -5.076 1.00 0.00 O ATOM 0 H SER A 88 2.355 -11.650 -8.007 1.00 0.00 H new ATOM 0 HA SER A 88 0.109 -13.494 -7.683 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.978 -14.559 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.272 -13.061 -5.558 1.00 0.00 H new ATOM 0 HG SER A 88 0.925 -14.522 -4.346 1.00 0.00 H new ATOM 1447 N SER A 89 -1.234 -11.661 -6.718 1.00 0.00 N ATOM 1448 CA SER A 89 -2.067 -10.484 -6.414 1.00 0.00 C ATOM 1449 C SER A 89 -2.108 -10.075 -4.929 1.00 0.00 C ATOM 1450 O SER A 89 -2.753 -9.079 -4.600 1.00 0.00 O ATOM 1451 CB SER A 89 -3.503 -10.663 -6.933 1.00 0.00 C ATOM 1452 OG SER A 89 -3.565 -11.466 -8.107 1.00 0.00 O ATOM 0 H SER A 89 -1.773 -12.479 -7.002 1.00 0.00 H new ATOM 0 HA SER A 89 -1.571 -9.669 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.113 -11.119 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.934 -9.684 -7.144 1.00 0.00 H new ATOM 0 HG SER A 89 -3.806 -10.906 -8.874 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.431 -10.804 -4.022 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.349 -10.485 -2.585 1.00 0.00 C ATOM 1460 C ARG A 90 -0.232 -9.492 -2.209 1.00 0.00 C ATOM 1461 O ARG A 90 0.106 -9.372 -1.032 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.452 -11.759 -1.721 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.133 -12.520 -1.559 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.279 -13.741 -0.646 1.00 0.00 C ATOM 1465 NE ARG A 90 1.045 -14.316 -0.344 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.319 -15.345 0.435 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.553 -15.737 0.558 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.405 -15.997 1.095 1.00 0.00 N ATOM 0 H ARG A 90 -0.916 -11.648 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.234 -9.900 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.823 -11.485 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.191 -12.426 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.222 -12.841 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.623 -11.850 -1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.778 -13.454 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.907 -14.490 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 90 1.844 -13.865 -0.790 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.295 -15.250 0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.779 -16.531 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.573 -15.718 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.668 -16.787 1.685 1.00 0.00 H new ATOM 1482 N TYR A 91 0.337 -8.781 -3.188 1.00 0.00 N ATOM 1483 CA TYR A 91 1.486 -7.897 -3.018 1.00 0.00 C ATOM 1484 C TYR A 91 1.282 -6.580 -3.786 1.00 0.00 C ATOM 1485 O TYR A 91 0.893 -6.590 -4.959 1.00 0.00 O ATOM 1486 CB TYR A 91 2.751 -8.622 -3.499 1.00 0.00 C ATOM 1487 CG TYR A 91 3.105 -9.886 -2.737 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.837 -9.798 -1.539 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.713 -11.150 -3.227 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.152 -10.963 -0.812 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.054 -12.319 -2.520 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.760 -12.227 -1.303 1.00 0.00 C ATOM 1493 OH TYR A 91 4.032 -13.359 -0.595 1.00 0.00 O ATOM 0 H TYR A 91 -0.003 -8.808 -4.149 1.00 0.00 H new ATOM 0 HA TYR A 91 1.595 -7.645 -1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.626 -8.875 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.592 -7.931 -3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.159 -8.833 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.150 -11.221 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.693 -10.889 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.775 -13.287 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 91 4.046 -13.151 0.362 1.00 0.00 H new ATOM 1503 N PHE A 92 1.571 -5.451 -3.136 1.00 0.00 N ATOM 1504 CA PHE A 92 1.436 -4.101 -3.691 1.00 0.00 C ATOM 1505 C PHE A 92 2.672 -3.252 -3.405 1.00 0.00 C ATOM 1506 O PHE A 92 3.421 -3.533 -2.476 1.00 0.00 O ATOM 1507 CB PHE A 92 0.197 -3.404 -3.106 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.099 -4.128 -3.382 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.658 -4.104 -4.670 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.731 -4.850 -2.357 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.831 -4.827 -4.941 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.915 -5.553 -2.621 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.456 -5.555 -3.919 1.00 0.00 C ATOM 0 H PHE A 92 1.917 -5.450 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 92 1.327 -4.202 -4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.324 -3.304 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.133 -2.395 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.185 -3.529 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.305 -4.864 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.251 -4.822 -5.936 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.411 -6.093 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.354 -6.118 -4.129 1.00 0.00 H new ATOM 1523 N VAL A 93 2.860 -2.180 -4.165 1.00 0.00 N ATOM 1524 CA VAL A 93 3.792 -1.091 -3.845 1.00 0.00 C ATOM 1525 C VAL A 93 2.993 0.172 -3.538 1.00 0.00 C ATOM 1526 O VAL A 93 1.977 0.408 -4.186 1.00 0.00 O ATOM 1527 CB VAL A 93 4.795 -0.886 -4.992 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.713 0.321 -4.791 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.669 -2.133 -5.135 1.00 0.00 C ATOM 0 H VAL A 93 2.360 -2.035 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 93 4.378 -1.345 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 93 4.202 -0.704 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.394 0.405 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.112 1.227 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.288 0.192 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.380 -1.988 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.211 -2.306 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.039 -2.996 -5.353 1.00 0.00 H new ATOM 1539 N ILE A 94 3.434 1.003 -2.592 1.00 0.00 N ATOM 1540 CA ILE A 94 2.859 2.340 -2.376 1.00 0.00 C ATOM 1541 C ILE A 94 3.940 3.415 -2.238 1.00 0.00 C ATOM 1542 O ILE A 94 5.042 3.147 -1.752 1.00 0.00 O ATOM 1543 CB ILE A 94 1.844 2.406 -1.212 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.411 2.086 0.192 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.577 1.587 -1.497 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.571 0.601 0.555 1.00 0.00 C ATOM 0 H ILE A 94 4.196 0.773 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 94 2.288 2.552 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 94 1.577 3.462 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.387 2.564 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.760 2.549 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.105 1.665 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.089 1.972 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.846 0.542 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.977 0.515 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.599 0.109 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.251 0.125 -0.152 1.00 0.00 H new ATOM 1558 N ARG A 95 3.614 4.645 -2.661 1.00 0.00 N ATOM 1559 CA ARG A 95 4.517 5.808 -2.575 1.00 0.00 C ATOM 1560 C ARG A 95 4.307 6.575 -1.269 1.00 0.00 C ATOM 1561 O ARG A 95 3.578 7.570 -1.233 1.00 0.00 O ATOM 1562 CB ARG A 95 4.392 6.699 -3.824 1.00 0.00 C ATOM 1563 CG ARG A 95 5.603 7.636 -3.949 1.00 0.00 C ATOM 1564 CD ARG A 95 5.484 8.544 -5.177 1.00 0.00 C ATOM 1565 NE ARG A 95 6.684 9.387 -5.326 1.00 0.00 N ATOM 1566 CZ ARG A 95 7.006 10.152 -6.351 1.00 0.00 C ATOM 1567 NH1 ARG A 95 8.115 10.827 -6.311 1.00 0.00 N ATOM 1568 NH2 ARG A 95 6.254 10.265 -7.409 1.00 0.00 N ATOM 0 H ARG A 95 2.709 4.865 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 95 5.545 5.447 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.315 6.076 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.476 7.287 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.686 8.247 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.516 7.045 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.348 7.936 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.600 9.175 -5.083 1.00 0.00 H new ATOM 0 HE ARG A 95 7.341 9.378 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.723 10.761 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.378 11.423 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.376 9.749 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.543 10.869 -8.178 1.00 0.00 H new ATOM 1582 N ILE A 96 4.934 6.109 -0.193 1.00 0.00 N ATOM 1583 CA ILE A 96 4.887 6.794 1.108 1.00 0.00 C ATOM 1584 C ILE A 96 5.618 8.144 1.048 1.00 0.00 C ATOM 1585 O ILE A 96 6.648 8.278 0.382 1.00 0.00 O ATOM 1586 CB ILE A 96 5.317 5.903 2.296 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.806 5.489 2.297 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.429 4.654 2.387 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.685 6.394 3.168 1.00 0.00 C ATOM 0 H ILE A 96 5.487 5.252 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 96 3.839 7.012 1.315 1.00 0.00 H new ATOM 0 HB ILE A 96 5.184 6.531 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.890 4.462 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.181 5.505 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.749 4.041 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.391 4.955 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.516 4.078 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.718 6.049 3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.629 7.419 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.334 6.359 4.199 1.00 0.00 H new ATOM 1601 N GLN A 97 5.049 9.158 1.699 1.00 0.00 N ATOM 1602 CA GLN A 97 5.441 10.570 1.600 1.00 0.00 C ATOM 1603 C GLN A 97 5.389 11.264 2.966 1.00 0.00 C ATOM 1604 O GLN A 97 4.583 10.920 3.833 1.00 0.00 O ATOM 1605 CB GLN A 97 4.518 11.300 0.605 1.00 0.00 C ATOM 1606 CG GLN A 97 4.850 10.985 -0.861 1.00 0.00 C ATOM 1607 CD GLN A 97 3.684 11.238 -1.809 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.366 12.364 -2.168 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.010 10.199 -2.253 1.00 0.00 N ATOM 0 H GLN A 97 4.268 9.015 2.339 1.00 0.00 H new ATOM 0 HA GLN A 97 6.470 10.610 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.483 11.022 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.596 12.375 0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.701 11.591 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.155 9.942 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.270 9.258 -1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.227 10.334 -2.893 1.00 0.00 H new ATOM 1682 N SER A 103 9.644 11.450 -0.762 1.00 0.00 N ATOM 1683 CA SER A 103 8.947 10.188 -1.014 1.00 0.00 C ATOM 1684 C SER A 103 9.850 8.954 -1.115 1.00 0.00 C ATOM 1685 O SER A 103 11.045 9.057 -1.407 1.00 0.00 O ATOM 1686 CB SER A 103 8.074 10.310 -2.271 1.00 0.00 C ATOM 1687 OG SER A 103 8.844 10.335 -3.463 1.00 0.00 O ATOM 0 HA SER A 103 8.331 10.019 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.377 9.473 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.476 11.219 -2.208 1.00 0.00 H new ATOM 0 HG SER A 103 9.700 10.779 -3.290 1.00 0.00 H new ATOM 1693 N ALA A 104 9.250 7.779 -0.911 1.00 0.00 N ATOM 1694 CA ALA A 104 9.830 6.468 -1.200 1.00 0.00 C ATOM 1695 C ALA A 104 8.753 5.492 -1.700 1.00 0.00 C ATOM 1696 O ALA A 104 7.610 5.530 -1.246 1.00 0.00 O ATOM 1697 CB ALA A 104 10.524 5.934 0.062 1.00 0.00 C ATOM 0 H ALA A 104 8.308 7.714 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 104 10.569 6.567 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.958 4.957 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.312 6.624 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.795 5.842 0.867 1.00 0.00 H new ATOM 1703 N PHE A 105 9.122 4.585 -2.605 1.00 0.00 N ATOM 1704 CA PHE A 105 8.290 3.437 -2.971 1.00 0.00 C ATOM 1705 C PHE A 105 8.638 2.241 -2.075 1.00 0.00 C ATOM 1706 O PHE A 105 9.783 1.781 -2.067 1.00 0.00 O ATOM 1707 CB PHE A 105 8.460 3.104 -4.459 1.00 0.00 C ATOM 1708 CG PHE A 105 7.778 4.072 -5.411 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.526 5.037 -6.113 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.390 3.977 -5.629 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.891 5.882 -7.041 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.758 4.802 -6.575 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.511 5.755 -7.283 1.00 0.00 C ATOM 0 H PHE A 105 10.009 4.625 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 105 7.240 3.683 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.525 3.077 -4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.069 2.103 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.588 5.128 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.807 3.265 -5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.464 6.630 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.698 4.704 -6.757 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.030 6.390 -8.013 1.00 0.00 H new ATOM 1723 N ILE A 106 7.653 1.735 -1.328 1.00 0.00 N ATOM 1724 CA ILE A 106 7.788 0.548 -0.465 1.00 0.00 C ATOM 1725 C ILE A 106 6.848 -0.568 -0.924 1.00 0.00 C ATOM 1726 O ILE A 106 5.727 -0.295 -1.351 1.00 0.00 O ATOM 1727 CB ILE A 106 7.614 0.882 1.036 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.165 1.248 1.431 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.597 1.996 1.429 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.950 1.408 2.943 1.00 0.00 C ATOM 0 H ILE A 106 6.719 2.144 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 106 8.810 0.184 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 106 7.840 -0.026 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.888 2.178 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.492 0.476 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.475 2.232 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.618 1.661 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.396 2.886 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.909 1.665 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.193 0.472 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.596 2.201 3.320 1.00 0.00 H new ATOM 1742 N GLY A 107 7.297 -1.819 -0.830 1.00 0.00 N ATOM 1743 CA GLY A 107 6.490 -3.000 -1.132 1.00 0.00 C ATOM 1744 C GLY A 107 5.806 -3.519 0.128 1.00 0.00 C ATOM 1745 O GLY A 107 6.419 -3.529 1.195 1.00 0.00 O ATOM 0 H GLY A 107 8.248 -2.044 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.740 -2.752 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.122 -3.780 -1.557 1.00 0.00 H new ATOM 1749 N ILE A 108 4.555 -3.962 0.013 1.00 0.00 N ATOM 1750 CA ILE A 108 3.790 -4.622 1.074 1.00 0.00 C ATOM 1751 C ILE A 108 3.223 -5.965 0.611 1.00 0.00 C ATOM 1752 O ILE A 108 2.769 -6.102 -0.527 1.00 0.00 O ATOM 1753 CB ILE A 108 2.690 -3.725 1.685 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.658 -3.199 0.663 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.343 -2.586 2.477 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.434 -2.533 1.315 1.00 0.00 C ATOM 0 H ILE A 108 4.025 -3.868 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 108 4.502 -4.816 1.876 1.00 0.00 H new ATOM 0 HB ILE A 108 2.105 -4.351 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.145 -2.480 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.322 -4.027 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.568 -1.952 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.957 -3.003 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.969 -1.992 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.249 -2.187 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.077 -3.255 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.759 -1.684 1.917 1.00 0.00 H new ATOM 1768 N GLY A 109 3.237 -6.953 1.505 1.00 0.00 N ATOM 1769 CA GLY A 109 2.687 -8.294 1.286 1.00 0.00 C ATOM 1770 C GLY A 109 1.633 -8.686 2.318 1.00 0.00 C ATOM 1771 O GLY A 109 1.750 -8.357 3.504 1.00 0.00 O ATOM 0 H GLY A 109 3.645 -6.840 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.247 -8.341 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.499 -9.021 1.310 1.00 0.00 H new ATOM 1775 N PHE A 110 0.601 -9.388 1.848 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.559 -9.826 2.628 1.00 0.00 C ATOM 1777 C PHE A 110 -0.485 -11.325 2.955 1.00 0.00 C ATOM 1778 O PHE A 110 0.232 -12.092 2.307 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.850 -9.488 1.859 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.227 -8.016 1.838 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.430 -7.595 2.440 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.396 -7.064 1.215 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.792 -6.237 2.423 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.734 -5.703 1.243 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.935 -5.290 1.836 1.00 0.00 C ATOM 0 H PHE A 110 0.548 -9.680 0.872 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.561 -9.294 3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.742 -9.833 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.673 -10.051 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.076 -8.318 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.494 -7.384 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.728 -5.921 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.068 -4.973 0.807 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.202 -4.244 1.842 1.00 0.00 H new ATOM 1795 N THR A 111 -1.270 -11.759 3.943 1.00 0.00 N ATOM 1796 CA THR A 111 -1.380 -13.175 4.334 1.00 0.00 C ATOM 1797 C THR A 111 -2.162 -14.008 3.309 1.00 0.00 C ATOM 1798 O THR A 111 -1.884 -15.195 3.121 1.00 0.00 O ATOM 1799 CB THR A 111 -1.986 -13.284 5.747 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.872 -14.605 6.234 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.459 -12.871 5.844 1.00 0.00 C ATOM 0 H THR A 111 -1.854 -11.137 4.502 1.00 0.00 H new ATOM 0 HA THR A 111 -0.375 -13.597 4.354 1.00 0.00 H new ATOM 0 HB THR A 111 -1.410 -12.581 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.260 -14.657 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.800 -12.980 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.567 -11.832 5.534 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.059 -13.508 5.194 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.106 -13.390 2.589 1.00 0.00 N ATOM 1810 CA ASP A 112 -4.013 -14.072 1.663 1.00 0.00 C ATOM 1811 C ASP A 112 -4.496 -13.142 0.537 1.00 0.00 C ATOM 1812 O ASP A 112 -4.685 -11.937 0.735 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.207 -14.646 2.446 1.00 0.00 C ATOM 1814 CG ASP A 112 -6.057 -15.585 1.577 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -7.021 -15.104 0.938 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.736 -16.793 1.499 1.00 0.00 O ATOM 0 H ASP A 112 -3.262 -12.383 2.636 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.465 -14.885 1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.843 -15.188 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.828 -13.829 2.814 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.730 -13.715 -0.650 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.192 -12.992 -1.843 1.00 0.00 C ATOM 1823 C ARG A 113 -6.569 -12.342 -1.661 1.00 0.00 C ATOM 1824 O ARG A 113 -6.787 -11.255 -2.186 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.161 -13.964 -3.034 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.352 -13.242 -4.372 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.181 -14.219 -5.543 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.263 -13.524 -6.843 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.268 -13.490 -7.696 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -6.133 -12.802 -8.791 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.396 -14.110 -7.493 1.00 0.00 N ATOM 0 H ARG A 113 -4.601 -14.714 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.519 -12.155 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.210 -14.496 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.944 -14.712 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.344 -12.791 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.629 -12.431 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.219 -14.724 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.951 -14.989 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.432 -13.001 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.263 -12.303 -8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.897 -12.761 -9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.533 -14.654 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.142 -14.051 -8.186 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.469 -12.941 -0.881 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.788 -12.375 -0.573 1.00 0.00 C ATOM 1847 C GLY A 114 -8.730 -11.114 0.300 1.00 0.00 C ATOM 1848 O GLY A 114 -9.581 -10.233 0.172 1.00 0.00 O ATOM 0 H GLY A 114 -7.303 -13.845 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.298 -12.137 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.388 -13.130 -0.065 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.698 -10.978 1.139 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.481 -9.787 1.975 1.00 0.00 C ATOM 1854 C ASP A 115 -6.739 -8.679 1.214 1.00 0.00 C ATOM 1855 O ASP A 115 -7.035 -7.497 1.396 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.756 -10.176 3.270 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.693 -10.922 4.234 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.714 -10.321 4.649 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.408 -12.087 4.591 1.00 0.00 O ATOM 0 H ASP A 115 -6.983 -11.695 1.260 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.455 -9.376 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.898 -10.806 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.370 -9.280 3.756 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.847 -9.047 0.291 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.284 -8.122 -0.688 1.00 0.00 C ATOM 1866 C ALA A 116 -6.325 -7.609 -1.702 1.00 0.00 C ATOM 1867 O ALA A 116 -6.293 -6.442 -2.090 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.162 -8.859 -1.394 1.00 0.00 C ATOM 0 H ALA A 116 -5.495 -10.000 0.204 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.920 -7.231 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.709 -8.205 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.408 -9.157 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.562 -9.746 -1.886 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.299 -8.440 -2.084 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.460 -7.976 -2.848 1.00 0.00 C ATOM 1876 C PHE A 117 -9.262 -6.918 -2.075 1.00 0.00 C ATOM 1877 O PHE A 117 -9.710 -5.946 -2.676 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.330 -9.157 -3.303 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.067 -9.580 -4.739 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.775 -9.973 -5.144 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.107 -9.540 -5.689 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.526 -10.319 -6.484 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.858 -9.891 -7.029 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.567 -10.278 -7.427 1.00 0.00 C ATOM 0 H PHE A 117 -7.306 -9.439 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.093 -7.485 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.152 -10.006 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.381 -8.887 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.973 -10.008 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.099 -9.239 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.534 -10.617 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.660 -9.863 -7.752 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.375 -10.544 -8.456 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.376 -7.026 -0.747 1.00 0.00 N ATOM 1895 CA ASP A 118 -10.038 -6.007 0.083 1.00 0.00 C ATOM 1896 C ASP A 118 -9.311 -4.642 0.010 1.00 0.00 C ATOM 1897 O ASP A 118 -9.956 -3.596 -0.089 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.148 -6.525 1.533 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.416 -6.074 2.281 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.678 -6.660 3.360 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.159 -5.183 1.811 1.00 0.00 O ATOM 0 H ASP A 118 -9.014 -7.818 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 118 -11.042 -5.834 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.119 -7.615 1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.274 -6.190 2.092 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.970 -4.647 -0.046 1.00 0.00 N ATOM 1907 CA PHE A 119 -7.143 -3.457 -0.304 1.00 0.00 C ATOM 1908 C PHE A 119 -7.482 -2.800 -1.656 1.00 0.00 C ATOM 1909 O PHE A 119 -7.865 -1.627 -1.682 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.652 -3.824 -0.151 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.652 -2.744 -0.526 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -4.026 -1.979 0.474 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.300 -2.533 -1.873 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.102 -0.981 0.134 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.368 -1.539 -2.216 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.772 -0.756 -1.212 1.00 0.00 C ATOM 0 H PHE A 119 -7.419 -5.495 0.089 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.370 -2.693 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.474 -4.110 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.451 -4.704 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.259 -2.162 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.749 -3.138 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.643 -0.384 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.109 -1.376 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.063 0.015 -1.475 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.406 -3.533 -2.778 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.606 -2.923 -4.103 1.00 0.00 C ATOM 1928 C ASN A 120 -9.078 -2.642 -4.459 1.00 0.00 C ATOM 1929 O ASN A 120 -9.350 -1.739 -5.256 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.862 -3.711 -5.199 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.365 -5.117 -5.491 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.704 -6.104 -5.220 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.516 -5.272 -6.108 1.00 0.00 N ATOM 0 H ASN A 120 -7.211 -4.534 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.156 -1.932 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.908 -3.135 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.811 -3.777 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.842 -6.207 -6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.083 -4.457 -6.343 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.038 -3.379 -3.895 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.475 -3.145 -4.121 1.00 0.00 C ATOM 1942 C VAL A 121 -11.969 -1.947 -3.309 1.00 0.00 C ATOM 1943 O VAL A 121 -12.674 -1.099 -3.854 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.302 -4.414 -3.825 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.817 -4.163 -3.826 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.031 -5.496 -4.880 1.00 0.00 C ATOM 0 H VAL A 121 -9.845 -4.158 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.615 -2.907 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.992 -4.732 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.340 -5.095 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -14.064 -3.424 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.124 -3.791 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.624 -6.382 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.304 -5.120 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.972 -5.756 -4.871 1.00 0.00 H new ATOM 1956 N SER A 122 -11.572 -1.813 -2.038 1.00 0.00 N ATOM 1957 CA SER A 122 -12.046 -0.696 -1.209 1.00 0.00 C ATOM 1958 C SER A 122 -11.462 0.657 -1.655 1.00 0.00 C ATOM 1959 O SER A 122 -12.148 1.678 -1.588 1.00 0.00 O ATOM 1960 CB SER A 122 -11.808 -0.980 0.277 1.00 0.00 C ATOM 1961 OG SER A 122 -12.737 -0.230 1.033 1.00 0.00 O ATOM 0 H SER A 122 -10.933 -2.453 -1.566 1.00 0.00 H new ATOM 0 HA SER A 122 -13.123 -0.612 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.924 -2.044 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.789 -0.711 0.555 1.00 0.00 H new ATOM 0 HG SER A 122 -13.183 -0.817 1.679 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.245 0.666 -2.226 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.691 1.832 -2.930 1.00 0.00 C ATOM 1969 C LEU A 123 -10.501 2.187 -4.191 1.00 0.00 C ATOM 1970 O LEU A 123 -10.972 3.317 -4.322 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.212 1.585 -3.294 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.216 1.741 -2.129 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.838 1.238 -2.561 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.067 3.205 -1.700 1.00 0.00 C ATOM 0 H LEU A 123 -9.618 -0.138 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.757 2.683 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.117 0.578 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.929 2.276 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.604 1.162 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.135 1.349 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.906 0.187 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.490 1.819 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.356 3.272 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.704 3.796 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.034 3.590 -1.377 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.699 1.242 -5.121 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.347 1.555 -6.406 1.00 0.00 C ATOM 1988 C GLN A 124 -12.836 1.912 -6.259 1.00 0.00 C ATOM 1989 O GLN A 124 -13.344 2.740 -7.012 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.093 0.436 -7.433 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.017 -0.783 -7.313 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.533 -1.941 -8.181 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.130 -2.300 -9.188 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.425 -2.559 -7.830 1.00 0.00 N ATOM 0 H GLN A 124 -10.424 0.266 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.881 2.462 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.197 0.853 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.061 0.101 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.065 -1.103 -6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.029 -0.504 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.921 -2.267 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.070 -3.330 -8.395 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.526 1.368 -5.252 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.928 1.682 -4.959 1.00 0.00 C ATOM 2005 C ASP A 125 -15.091 2.974 -4.132 1.00 0.00 C ATOM 2006 O ASP A 125 -16.212 3.442 -3.922 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.602 0.467 -4.301 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.131 0.621 -4.200 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.770 1.038 -5.198 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.705 0.299 -3.132 1.00 0.00 O ATOM 0 H ASP A 125 -13.121 0.688 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.436 1.888 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.368 -0.429 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.188 0.323 -3.303 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.984 3.604 -3.720 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.976 5.004 -3.283 1.00 0.00 C ATOM 2017 C HIS A 126 -13.630 5.971 -4.421 1.00 0.00 C ATOM 2018 O HIS A 126 -14.201 7.057 -4.488 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.042 5.182 -2.080 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.091 6.582 -1.512 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.120 7.572 -1.696 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.110 7.098 -0.764 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -12.577 8.657 -1.046 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -13.767 8.402 -0.479 1.00 0.00 N ATOM 0 H HIS A 126 -13.068 3.156 -3.681 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.989 5.258 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.315 4.468 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.020 4.951 -2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.009 6.585 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -12.059 9.603 -0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -14.322 9.060 0.068 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.762 5.571 -5.356 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.302 6.416 -6.464 1.00 0.00 C ATOM 2034 C PHE A 127 -13.128 6.341 -7.755 1.00 0.00 C ATOM 2035 O PHE A 127 -12.871 7.148 -8.648 1.00 0.00 O ATOM 2036 CB PHE A 127 -10.820 6.126 -6.738 1.00 0.00 C ATOM 2037 CG PHE A 127 -9.861 6.804 -5.781 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -8.984 6.041 -4.991 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.797 8.210 -5.732 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -7.990 6.674 -4.228 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.832 8.847 -4.935 1.00 0.00 C ATOM 2042 CZ PHE A 127 -7.916 8.077 -4.201 1.00 0.00 C ATOM 0 H PHE A 127 -12.353 4.637 -5.365 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.446 7.443 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.659 5.049 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -10.583 6.441 -7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.075 4.965 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -10.493 8.801 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.284 6.084 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -8.795 9.925 -4.887 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.152 8.564 -3.614 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.127 5.453 -7.893 1.00 0.00 N ATOM 2053 CA LYS A 128 -14.862 5.259 -9.167 1.00 0.00 C ATOM 2054 C LYS A 128 -15.484 6.527 -9.781 1.00 0.00 C ATOM 2055 O LYS A 128 -15.617 6.610 -11.001 1.00 0.00 O ATOM 2056 CB LYS A 128 -15.880 4.105 -9.091 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.202 4.388 -8.360 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.014 4.537 -6.848 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.343 4.636 -6.099 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.077 3.343 -6.068 1.00 0.00 N ATOM 0 H LYS A 128 -14.450 4.851 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.078 4.976 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.116 3.793 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.397 3.259 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -17.647 5.300 -8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.904 3.578 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.450 3.684 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.419 5.428 -6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.157 4.969 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -18.968 5.393 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.871 3.410 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.442 3.128 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.432 2.585 -5.765 1.00 0.00 H new