USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 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 24:sc= 0.368 USER MOD Set 1.2: A 126 HIS : no HD1:sc= -0.197 X(o=0.17,f=0.25) USER MOD Single : A 9 SER OG : rot -41:sc= 1.32 USER MOD Single : A 12 CYS SG : rot 77:sc= 0.844 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= 2.45 (180deg=2.36) 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+ 175:sc= 1.26 (180deg=1.14) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 36:sc= 0.659 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 74:sc= 0.379 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 63 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.21) USER MOD Single : A 65 SER OG : rot -119:sc= 0.155 USER MOD Single : A 71 GLN : amide:sc= 0.654 K(o=0.65,f=-0.63) USER MOD Single : A 76 GLN : amide:sc= -0.47 X(o=-0.47,f=0) 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= 0.675 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.29 USER MOD Single : A 97 GLN : amide:sc= 0.519 K(o=0.52,f=-2.7!) USER MOD Single : A 103 SER OG : rot -31:sc= 0.00231 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.4) USER MOD Single : A 122 SER OG : rot -91:sc= 1.22 USER MOD Single : A 124 GLN : amide:sc= 0.835 K(o=0.84,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.722 8.863 6.821 1.00 0.00 N ATOM 187 CA SER A 9 -12.705 7.820 6.498 1.00 0.00 C ATOM 188 C SER A 9 -12.020 6.489 6.218 1.00 0.00 C ATOM 189 O SER A 9 -11.311 6.337 5.227 1.00 0.00 O ATOM 190 CB SER A 9 -13.661 8.265 5.391 1.00 0.00 C ATOM 191 OG SER A 9 -13.090 8.393 4.104 1.00 0.00 O ATOM 0 HA SER A 9 -13.333 7.658 7.374 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.481 7.549 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.094 9.225 5.674 1.00 0.00 H new ATOM 0 HG SER A 9 -12.203 8.802 4.179 1.00 0.00 H new ATOM 197 N VAL A 10 -12.176 5.532 7.135 1.00 0.00 N ATOM 198 CA VAL A 10 -11.570 4.190 7.036 1.00 0.00 C ATOM 199 C VAL A 10 -12.242 3.361 5.930 1.00 0.00 C ATOM 200 O VAL A 10 -13.461 3.416 5.754 1.00 0.00 O ATOM 201 CB VAL A 10 -11.606 3.473 8.401 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.007 2.064 8.340 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.796 4.255 9.446 1.00 0.00 C ATOM 0 H VAL A 10 -12.732 5.662 7.980 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.523 4.304 6.756 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.659 3.412 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.057 1.604 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.570 1.460 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.967 2.124 8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.834 3.732 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.760 4.335 9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.218 5.253 9.561 1.00 0.00 H new ATOM 213 N LEU A 11 -11.438 2.588 5.192 1.00 0.00 N ATOM 214 CA LEU A 11 -11.833 1.844 3.982 1.00 0.00 C ATOM 215 C LEU A 11 -11.457 0.352 4.054 1.00 0.00 C ATOM 216 O LEU A 11 -12.252 -0.505 3.668 1.00 0.00 O ATOM 217 CB LEU A 11 -11.181 2.494 2.741 1.00 0.00 C ATOM 218 CG LEU A 11 -11.576 3.953 2.448 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.848 4.434 1.192 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.077 4.125 2.212 1.00 0.00 C ATOM 0 H LEU A 11 -10.454 2.456 5.427 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.919 1.894 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.098 2.450 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.430 1.890 1.868 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.297 4.535 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.127 5.467 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.771 4.373 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.127 3.805 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.296 5.174 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.383 3.520 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.624 3.804 3.099 1.00 0.00 H new ATOM 232 N CYS A 12 -10.270 0.042 4.582 1.00 0.00 N ATOM 233 CA CYS A 12 -9.795 -1.313 4.870 1.00 0.00 C ATOM 234 C CYS A 12 -8.903 -1.281 6.109 1.00 0.00 C ATOM 235 O CYS A 12 -8.043 -0.409 6.235 1.00 0.00 O ATOM 236 CB CYS A 12 -9.006 -1.855 3.672 1.00 0.00 C ATOM 237 SG CYS A 12 -8.380 -3.536 3.971 1.00 0.00 S ATOM 0 H CYS A 12 -9.587 0.757 4.830 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.648 -1.966 5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.645 -1.858 2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.170 -1.190 3.458 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.349 -4.391 3.829 1.00 0.00 H new ATOM 243 N VAL A 13 -9.074 -2.255 6.997 1.00 0.00 N ATOM 244 CA VAL A 13 -8.156 -2.534 8.107 1.00 0.00 C ATOM 245 C VAL A 13 -7.748 -4.005 8.055 1.00 0.00 C ATOM 246 O VAL A 13 -8.603 -4.887 7.932 1.00 0.00 O ATOM 247 CB VAL A 13 -8.780 -2.133 9.456 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.911 -2.538 10.655 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.970 -0.613 9.521 1.00 0.00 C ATOM 0 H VAL A 13 -9.872 -2.890 6.968 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.255 -1.929 8.006 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.733 -2.658 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.400 -2.230 11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.777 -3.620 10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.938 -2.052 10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.412 -0.342 10.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.003 -0.121 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.630 -0.294 8.714 1.00 0.00 H new ATOM 259 N LYS A 14 -6.439 -4.267 8.134 1.00 0.00 N ATOM 260 CA LYS A 14 -5.853 -5.620 8.100 1.00 0.00 C ATOM 261 C LYS A 14 -4.801 -5.796 9.211 1.00 0.00 C ATOM 262 O LYS A 14 -3.896 -4.962 9.304 1.00 0.00 O ATOM 263 CB LYS A 14 -5.280 -5.895 6.689 1.00 0.00 C ATOM 264 CG LYS A 14 -5.469 -7.332 6.177 1.00 0.00 C ATOM 265 CD LYS A 14 -6.932 -7.789 6.030 1.00 0.00 C ATOM 266 CE LYS A 14 -7.815 -6.839 5.216 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.209 -7.338 5.170 1.00 0.00 N ATOM 0 H LYS A 14 -5.738 -3.531 8.225 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.629 -6.360 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.750 -5.210 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.214 -5.665 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.978 -7.423 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.959 -8.013 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.947 -8.772 5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.365 -7.905 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.793 -5.843 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.422 -6.746 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.722 -6.864 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.205 -8.364 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.680 -7.137 6.075 1.00 0.00 H new ATOM 281 N PRO A 15 -4.881 -6.844 10.054 1.00 0.00 N ATOM 282 CA PRO A 15 -4.026 -6.983 11.241 1.00 0.00 C ATOM 283 C PRO A 15 -2.611 -7.513 10.962 1.00 0.00 C ATOM 284 O PRO A 15 -1.759 -7.465 11.850 1.00 0.00 O ATOM 285 CB PRO A 15 -4.773 -7.954 12.156 1.00 0.00 C ATOM 286 CG PRO A 15 -5.531 -8.846 11.175 1.00 0.00 C ATOM 287 CD PRO A 15 -5.910 -7.878 10.058 1.00 0.00 C ATOM 0 HA PRO A 15 -3.860 -5.998 11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.087 -8.530 12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.451 -7.431 12.831 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.909 -9.663 10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.410 -9.297 11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.952 -8.390 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.896 -7.447 10.233 1.00 0.00 H new ATOM 295 N ASP A 16 -2.359 -8.048 9.765 1.00 0.00 N ATOM 296 CA ASP A 16 -1.085 -8.663 9.390 1.00 0.00 C ATOM 297 C ASP A 16 -0.635 -8.178 8.008 1.00 0.00 C ATOM 298 O ASP A 16 -1.174 -8.592 6.976 1.00 0.00 O ATOM 299 CB ASP A 16 -1.229 -10.190 9.437 1.00 0.00 C ATOM 300 CG ASP A 16 0.098 -10.902 9.124 1.00 0.00 C ATOM 301 OD1 ASP A 16 0.122 -11.780 8.228 1.00 0.00 O ATOM 302 OD2 ASP A 16 1.116 -10.603 9.792 1.00 0.00 O ATOM 0 H ASP A 16 -3.050 -8.066 9.015 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.312 -8.365 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.578 -10.491 10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.988 -10.505 8.721 1.00 0.00 H new ATOM 307 N VAL A 17 0.353 -7.284 7.998 1.00 0.00 N ATOM 308 CA VAL A 17 1.008 -6.780 6.782 1.00 0.00 C ATOM 309 C VAL A 17 2.506 -6.566 7.022 1.00 0.00 C ATOM 310 O VAL A 17 2.931 -6.172 8.114 1.00 0.00 O ATOM 311 CB VAL A 17 0.291 -5.521 6.245 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.403 -4.305 7.171 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.784 -5.113 4.853 1.00 0.00 C ATOM 0 H VAL A 17 0.732 -6.878 8.853 1.00 0.00 H new ATOM 0 HA VAL A 17 0.924 -7.533 5.999 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.756 -5.820 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.124 -3.460 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.040 -4.542 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.453 -4.046 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.248 -4.223 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.852 -4.899 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.604 -5.926 4.150 1.00 0.00 H new ATOM 323 N SER A 18 3.307 -6.833 5.992 1.00 0.00 N ATOM 324 CA SER A 18 4.774 -6.780 6.042 1.00 0.00 C ATOM 325 C SER A 18 5.315 -5.853 4.960 1.00 0.00 C ATOM 326 O SER A 18 4.917 -5.981 3.801 1.00 0.00 O ATOM 327 CB SER A 18 5.367 -8.181 5.854 1.00 0.00 C ATOM 328 OG SER A 18 4.864 -9.091 6.821 1.00 0.00 O ATOM 0 H SER A 18 2.949 -7.099 5.075 1.00 0.00 H new ATOM 0 HA SER A 18 5.064 -6.394 7.019 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.134 -8.545 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.453 -8.131 5.930 1.00 0.00 H new ATOM 0 HG SER A 18 5.259 -9.976 6.674 1.00 0.00 H new ATOM 334 N VAL A 19 6.219 -4.939 5.325 1.00 0.00 N ATOM 335 CA VAL A 19 6.883 -3.997 4.409 1.00 0.00 C ATOM 336 C VAL A 19 8.247 -4.519 3.979 1.00 0.00 C ATOM 337 O VAL A 19 9.072 -4.907 4.807 1.00 0.00 O ATOM 338 CB VAL A 19 7.007 -2.583 5.012 1.00 0.00 C ATOM 339 CG1 VAL A 19 7.890 -1.651 4.164 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.632 -1.915 5.128 1.00 0.00 C ATOM 0 H VAL A 19 6.520 -4.828 6.293 1.00 0.00 H new ATOM 0 HA VAL A 19 6.248 -3.917 3.526 1.00 0.00 H new ATOM 0 HB VAL A 19 7.463 -2.724 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.942 -0.670 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.893 -2.070 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.462 -1.552 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.746 -0.919 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.182 -1.835 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.989 -2.515 5.772 1.00 0.00 H new ATOM 350 N TYR A 20 8.511 -4.424 2.679 1.00 0.00 N ATOM 351 CA TYR A 20 9.817 -4.644 2.072 1.00 0.00 C ATOM 352 C TYR A 20 10.150 -3.455 1.164 1.00 0.00 C ATOM 353 O TYR A 20 9.438 -3.180 0.197 1.00 0.00 O ATOM 354 CB TYR A 20 9.857 -5.975 1.288 1.00 0.00 C ATOM 355 CG TYR A 20 8.762 -6.981 1.599 1.00 0.00 C ATOM 356 CD1 TYR A 20 8.902 -7.889 2.665 1.00 0.00 C ATOM 357 CD2 TYR A 20 7.592 -6.994 0.815 1.00 0.00 C ATOM 358 CE1 TYR A 20 7.877 -8.812 2.947 1.00 0.00 C ATOM 359 CE2 TYR A 20 6.564 -7.915 1.095 1.00 0.00 C ATOM 360 CZ TYR A 20 6.705 -8.828 2.161 1.00 0.00 C ATOM 361 OH TYR A 20 5.724 -9.737 2.411 1.00 0.00 O ATOM 0 H TYR A 20 7.794 -4.183 1.995 1.00 0.00 H new ATOM 0 HA TYR A 20 10.569 -4.719 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.816 -5.745 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.820 -6.451 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.798 -7.878 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.483 -6.296 -0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.988 -9.508 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.667 -7.922 0.493 1.00 0.00 H new ATOM 0 HH TYR A 20 5.868 -10.139 3.293 1.00 0.00 H new ATOM 371 N ARG A 21 11.253 -2.757 1.436 1.00 0.00 N ATOM 372 CA ARG A 21 11.869 -1.832 0.469 1.00 0.00 C ATOM 373 C ARG A 21 12.338 -2.624 -0.755 1.00 0.00 C ATOM 374 O ARG A 21 12.981 -3.669 -0.613 1.00 0.00 O ATOM 375 CB ARG A 21 13.011 -1.034 1.114 1.00 0.00 C ATOM 376 CG ARG A 21 12.475 0.007 2.112 1.00 0.00 C ATOM 377 CD ARG A 21 13.610 0.844 2.712 1.00 0.00 C ATOM 378 NE ARG A 21 14.437 0.050 3.639 1.00 0.00 N ATOM 379 CZ ARG A 21 15.533 0.415 4.270 1.00 0.00 C ATOM 380 NH1 ARG A 21 16.083 -0.434 5.083 1.00 0.00 N ATOM 381 NH2 ARG A 21 16.083 1.587 4.118 1.00 0.00 N ATOM 0 H ARG A 21 11.747 -2.812 2.327 1.00 0.00 H new ATOM 0 HA ARG A 21 11.129 -1.100 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.689 -1.716 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.590 -0.532 0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.764 0.663 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.932 -0.499 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.236 1.237 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.191 1.701 3.240 1.00 0.00 H new ATOM 0 HE ARG A 21 14.119 -0.903 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.665 -1.355 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.933 -0.181 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.663 2.269 3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.933 1.822 4.630 1.00 0.00 H new ATOM 395 N ILE A 22 11.974 -2.140 -1.940 1.00 0.00 N ATOM 396 CA ILE A 22 12.070 -2.873 -3.214 1.00 0.00 C ATOM 397 C ILE A 22 13.384 -2.586 -3.973 1.00 0.00 C ATOM 398 O ILE A 22 13.943 -1.492 -3.832 1.00 0.00 O ATOM 399 CB ILE A 22 10.830 -2.605 -4.105 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.660 -1.111 -4.461 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.563 -3.176 -3.444 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.456 -0.838 -5.367 1.00 0.00 C ATOM 0 H ILE A 22 11.592 -1.201 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 22 12.088 -3.934 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 22 10.993 -3.122 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.552 -0.535 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.565 -0.757 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.700 -2.980 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.677 -4.251 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.413 -2.701 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.394 0.230 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.572 -1.387 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.543 -1.162 -4.867 1.00 0.00 H new ATOM 532 N TYR A 31 7.611 -5.334 -11.224 1.00 0.00 N ATOM 533 CA TYR A 31 7.732 -5.915 -9.891 1.00 0.00 C ATOM 534 C TYR A 31 7.088 -7.303 -9.869 1.00 0.00 C ATOM 535 O TYR A 31 5.971 -7.460 -10.341 1.00 0.00 O ATOM 536 CB TYR A 31 7.036 -5.000 -8.883 1.00 0.00 C ATOM 537 CG TYR A 31 7.492 -3.554 -8.857 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.570 -2.554 -8.494 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.826 -3.206 -9.156 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.983 -1.214 -8.395 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.251 -1.876 -9.007 1.00 0.00 C ATOM 542 CZ TYR A 31 8.329 -0.868 -8.649 1.00 0.00 C ATOM 543 OH TYR A 31 8.742 0.425 -8.552 1.00 0.00 O ATOM 0 HA TYR A 31 8.785 -6.013 -9.628 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.966 -5.017 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.176 -5.420 -7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.542 -2.817 -8.291 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.519 -3.961 -9.499 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.271 -0.448 -8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.289 -1.623 -9.167 1.00 0.00 H new ATOM 0 HH TYR A 31 9.698 0.479 -8.760 1.00 0.00 H new ATOM 553 N ARG A 32 7.749 -8.309 -9.293 1.00 0.00 N ATOM 554 CA ARG A 32 7.320 -9.727 -9.357 1.00 0.00 C ATOM 555 C ARG A 32 7.177 -10.411 -8.005 1.00 0.00 C ATOM 556 O ARG A 32 7.148 -11.635 -7.944 1.00 0.00 O ATOM 557 CB ARG A 32 8.172 -10.538 -10.363 1.00 0.00 C ATOM 558 CG ARG A 32 9.702 -10.451 -10.213 1.00 0.00 C ATOM 559 CD ARG A 32 10.280 -9.214 -10.917 1.00 0.00 C ATOM 560 NE ARG A 32 11.750 -9.175 -10.869 1.00 0.00 N ATOM 561 CZ ARG A 32 12.533 -8.241 -11.370 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.817 -8.357 -11.224 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.074 -7.191 -11.991 1.00 0.00 N ATOM 0 H ARG A 32 8.608 -8.171 -8.761 1.00 0.00 H new ATOM 0 HA ARG A 32 6.300 -9.704 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.883 -11.586 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.911 -10.210 -11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.961 -10.420 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.159 -11.350 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.953 -9.206 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.880 -8.314 -10.450 1.00 0.00 H new ATOM 0 HE ARG A 32 12.212 -9.953 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.203 -9.161 -10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.440 -7.645 -11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.068 -7.066 -12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.721 -6.495 -12.362 1.00 0.00 H new ATOM 577 N ALA A 33 7.067 -9.618 -6.939 1.00 0.00 N ATOM 578 CA ALA A 33 7.055 -10.000 -5.524 1.00 0.00 C ATOM 579 C ALA A 33 8.290 -10.792 -5.035 1.00 0.00 C ATOM 580 O ALA A 33 8.922 -10.407 -4.056 1.00 0.00 O ATOM 581 CB ALA A 33 5.724 -10.701 -5.250 1.00 0.00 C ATOM 0 H ALA A 33 6.976 -8.608 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 33 7.136 -9.094 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.679 -11.001 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.902 -10.019 -5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.640 -11.584 -5.884 1.00 0.00 H new ATOM 587 N SER A 34 8.689 -11.855 -5.735 1.00 0.00 N ATOM 588 CA SER A 34 9.792 -12.759 -5.380 1.00 0.00 C ATOM 589 C SER A 34 11.188 -12.122 -5.448 1.00 0.00 C ATOM 590 O SER A 34 12.139 -12.673 -4.892 1.00 0.00 O ATOM 591 CB SER A 34 9.758 -14.003 -6.274 1.00 0.00 C ATOM 592 OG SER A 34 8.519 -14.683 -6.134 1.00 0.00 O ATOM 0 H SER A 34 8.233 -12.125 -6.606 1.00 0.00 H new ATOM 0 HA SER A 34 9.628 -13.021 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.905 -13.714 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.578 -14.671 -6.009 1.00 0.00 H new ATOM 0 HG SER A 34 8.513 -15.474 -6.713 1.00 0.00 H new ATOM 598 N ASP A 35 11.327 -10.960 -6.096 1.00 0.00 N ATOM 599 CA ASP A 35 12.565 -10.163 -6.079 1.00 0.00 C ATOM 600 C ASP A 35 12.692 -9.263 -4.831 1.00 0.00 C ATOM 601 O ASP A 35 13.758 -8.696 -4.580 1.00 0.00 O ATOM 602 CB ASP A 35 12.683 -9.347 -7.380 1.00 0.00 C ATOM 603 CG ASP A 35 13.936 -9.737 -8.179 1.00 0.00 C ATOM 604 OD1 ASP A 35 13.785 -10.347 -9.265 1.00 0.00 O ATOM 605 OD2 ASP A 35 15.067 -9.409 -7.754 1.00 0.00 O ATOM 0 H ASP A 35 10.581 -10.541 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 35 13.399 -10.862 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.796 -9.507 -7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.719 -8.284 -7.142 1.00 0.00 H new ATOM 610 N TRP A 36 11.624 -9.121 -4.037 1.00 0.00 N ATOM 611 CA TRP A 36 11.607 -8.362 -2.794 1.00 0.00 C ATOM 612 C TRP A 36 12.090 -9.228 -1.617 1.00 0.00 C ATOM 613 O TRP A 36 12.234 -10.450 -1.713 1.00 0.00 O ATOM 614 CB TRP A 36 10.191 -7.823 -2.537 1.00 0.00 C ATOM 615 CG TRP A 36 9.466 -7.095 -3.638 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.970 -6.646 -4.816 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.062 -6.694 -3.639 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.987 -5.977 -5.525 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.808 -5.931 -4.817 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.979 -6.887 -2.753 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.573 -5.326 -5.066 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.726 -6.293 -2.997 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.526 -5.511 -4.147 1.00 0.00 C ATOM 0 H TRP A 36 10.723 -9.547 -4.254 1.00 0.00 H new ATOM 0 HA TRP A 36 12.292 -7.519 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.569 -8.667 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.248 -7.150 -1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 36 10.987 -6.789 -5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.119 -5.571 -6.451 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.114 -7.500 -1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.425 -4.725 -5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.916 -6.439 -2.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.565 -5.051 -4.325 1.00 0.00 H new ATOM 634 N LYS A 37 12.305 -8.587 -0.467 1.00 0.00 N ATOM 635 CA LYS A 37 12.803 -9.205 0.775 1.00 0.00 C ATOM 636 C LYS A 37 11.717 -9.939 1.575 1.00 0.00 C ATOM 637 O LYS A 37 11.547 -9.716 2.772 1.00 0.00 O ATOM 638 CB LYS A 37 13.540 -8.150 1.608 1.00 0.00 C ATOM 639 CG LYS A 37 14.802 -7.617 0.915 1.00 0.00 C ATOM 640 CD LYS A 37 15.742 -6.922 1.910 1.00 0.00 C ATOM 641 CE LYS A 37 15.023 -5.961 2.865 1.00 0.00 C ATOM 642 NZ LYS A 37 14.577 -4.721 2.178 1.00 0.00 N ATOM 0 H LYS A 37 12.133 -7.587 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 37 13.507 -9.990 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.865 -7.319 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.815 -8.581 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.328 -8.440 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.518 -6.915 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.263 -7.680 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.501 -6.370 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.160 -6.463 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.690 -5.700 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.023 -4.139 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.408 -4.184 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.988 -4.971 1.358 1.00 0.00 H new ATOM 656 N LEU A 38 10.998 -10.847 0.917 1.00 0.00 N ATOM 657 CA LEU A 38 9.833 -11.565 1.467 1.00 0.00 C ATOM 658 C LEU A 38 10.115 -12.371 2.750 1.00 0.00 C ATOM 659 O LEU A 38 9.198 -12.633 3.528 1.00 0.00 O ATOM 660 CB LEU A 38 9.292 -12.525 0.396 1.00 0.00 C ATOM 661 CG LEU A 38 8.835 -11.868 -0.917 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.180 -12.935 -1.798 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.833 -10.732 -0.702 1.00 0.00 C ATOM 0 H LEU A 38 11.211 -11.117 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 38 9.111 -10.796 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.067 -13.256 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.451 -13.075 0.818 1.00 0.00 H new ATOM 0 HG LEU A 38 9.719 -11.438 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.851 -12.483 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.901 -13.724 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.321 -13.359 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.549 -10.310 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.946 -11.119 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.289 -9.957 -0.086 1.00 0.00 H new ATOM 675 N ASP A 39 11.372 -12.759 2.977 1.00 0.00 N ATOM 676 CA ASP A 39 11.804 -13.554 4.140 1.00 0.00 C ATOM 677 C ASP A 39 12.361 -12.675 5.281 1.00 0.00 C ATOM 678 O ASP A 39 12.674 -13.170 6.366 1.00 0.00 O ATOM 679 CB ASP A 39 12.827 -14.593 3.653 1.00 0.00 C ATOM 680 CG ASP A 39 13.169 -15.651 4.717 1.00 0.00 C ATOM 681 OD1 ASP A 39 14.365 -15.795 5.071 1.00 0.00 O ATOM 682 OD2 ASP A 39 12.252 -16.383 5.164 1.00 0.00 O ATOM 0 H ASP A 39 12.139 -12.526 2.346 1.00 0.00 H new ATOM 0 HA ASP A 39 10.942 -14.063 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.435 -15.092 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.741 -14.081 3.352 1.00 0.00 H new ATOM 687 N GLN A 40 12.506 -11.369 5.030 1.00 0.00 N ATOM 688 CA GLN A 40 13.222 -10.418 5.890 1.00 0.00 C ATOM 689 C GLN A 40 12.663 -8.979 5.748 1.00 0.00 C ATOM 690 O GLN A 40 13.313 -8.116 5.148 1.00 0.00 O ATOM 691 CB GLN A 40 14.738 -10.552 5.609 1.00 0.00 C ATOM 692 CG GLN A 40 15.174 -10.367 4.142 1.00 0.00 C ATOM 693 CD GLN A 40 16.318 -11.295 3.738 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.431 -11.222 4.245 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.090 -12.202 2.808 1.00 0.00 N ATOM 0 H GLN A 40 12.116 -10.930 4.196 1.00 0.00 H new ATOM 0 HA GLN A 40 13.061 -10.656 6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.266 -9.819 6.219 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.063 -11.538 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.320 -10.547 3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.481 -9.333 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.167 -12.272 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.836 -12.834 2.518 1.00 0.00 H new ATOM 704 N PRO A 41 11.453 -8.700 6.286 1.00 0.00 N ATOM 705 CA PRO A 41 10.818 -7.380 6.221 1.00 0.00 C ATOM 706 C PRO A 41 11.664 -6.260 6.841 1.00 0.00 C ATOM 707 O PRO A 41 12.383 -6.464 7.824 1.00 0.00 O ATOM 708 CB PRO A 41 9.474 -7.510 6.955 1.00 0.00 C ATOM 709 CG PRO A 41 9.171 -9.003 6.882 1.00 0.00 C ATOM 710 CD PRO A 41 10.558 -9.633 6.960 1.00 0.00 C ATOM 0 HA PRO A 41 10.694 -7.093 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.545 -7.165 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.695 -6.918 6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.533 -9.327 7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.658 -9.267 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.861 -9.787 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.573 -10.609 6.475 1.00 0.00 H new ATOM 718 N ASP A 42 11.515 -5.047 6.311 1.00 0.00 N ATOM 719 CA ASP A 42 12.030 -3.818 6.928 1.00 0.00 C ATOM 720 C ASP A 42 11.196 -3.415 8.160 1.00 0.00 C ATOM 721 O ASP A 42 11.724 -2.840 9.115 1.00 0.00 O ATOM 722 CB ASP A 42 12.012 -2.690 5.890 1.00 0.00 C ATOM 723 CG ASP A 42 13.034 -2.920 4.778 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.198 -2.479 4.911 1.00 0.00 O ATOM 725 OD2 ASP A 42 12.670 -3.494 3.729 1.00 0.00 O ATOM 0 H ASP A 42 11.028 -4.884 5.430 1.00 0.00 H new ATOM 0 HA ASP A 42 13.051 -3.999 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.015 -2.612 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.220 -1.740 6.383 1.00 0.00 H new ATOM 730 N TRP A 43 9.898 -3.736 8.138 1.00 0.00 N ATOM 731 CA TRP A 43 8.921 -3.491 9.204 1.00 0.00 C ATOM 732 C TRP A 43 7.721 -4.446 9.062 1.00 0.00 C ATOM 733 O TRP A 43 7.385 -4.868 7.952 1.00 0.00 O ATOM 734 CB TRP A 43 8.476 -2.021 9.126 1.00 0.00 C ATOM 735 CG TRP A 43 7.302 -1.618 9.966 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.350 -1.035 11.185 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.886 -1.713 9.627 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.066 -0.743 11.610 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.125 -1.109 10.670 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.173 -2.232 8.527 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.730 -0.985 10.596 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.773 -2.109 8.448 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.049 -1.505 9.487 1.00 0.00 C ATOM 0 H TRP A 43 9.478 -4.199 7.332 1.00 0.00 H new ATOM 0 HA TRP A 43 9.372 -3.680 10.178 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.323 -1.396 9.407 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.242 -1.793 8.086 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.252 -0.829 11.742 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.843 -0.311 12.507 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.709 -2.731 7.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.185 -0.493 11.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.251 -2.483 7.580 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.972 -1.441 9.432 1.00 0.00 H new ATOM 754 N THR A 44 7.047 -4.756 10.170 1.00 0.00 N ATOM 755 CA THR A 44 5.771 -5.496 10.198 1.00 0.00 C ATOM 756 C THR A 44 4.760 -4.833 11.132 1.00 0.00 C ATOM 757 O THR A 44 5.120 -4.266 12.170 1.00 0.00 O ATOM 758 CB THR A 44 5.942 -6.967 10.614 1.00 0.00 C ATOM 759 OG1 THR A 44 6.663 -7.089 11.825 1.00 0.00 O ATOM 760 CG2 THR A 44 6.671 -7.778 9.551 1.00 0.00 C ATOM 0 H THR A 44 7.376 -4.496 11.100 1.00 0.00 H new ATOM 0 HA THR A 44 5.398 -5.471 9.174 1.00 0.00 H new ATOM 0 HB THR A 44 4.932 -7.356 10.743 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.751 -8.036 12.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.770 -8.811 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.104 -7.751 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.661 -7.354 9.385 1.00 0.00 H new ATOM 768 N GLY A 45 3.477 -4.921 10.777 1.00 0.00 N ATOM 769 CA GLY A 45 2.396 -4.349 11.576 1.00 0.00 C ATOM 770 C GLY A 45 1.020 -4.467 10.935 1.00 0.00 C ATOM 771 O GLY A 45 0.665 -5.521 10.398 1.00 0.00 O ATOM 0 H GLY A 45 3.160 -5.390 9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.376 -4.843 12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.611 -3.296 11.758 1.00 0.00 H new ATOM 775 N ARG A 46 0.234 -3.391 11.040 1.00 0.00 N ATOM 776 CA ARG A 46 -1.178 -3.317 10.646 1.00 0.00 C ATOM 777 C ARG A 46 -1.391 -2.327 9.501 1.00 0.00 C ATOM 778 O ARG A 46 -0.744 -1.281 9.428 1.00 0.00 O ATOM 779 CB ARG A 46 -2.045 -2.958 11.870 1.00 0.00 C ATOM 780 CG ARG A 46 -1.887 -3.979 13.012 1.00 0.00 C ATOM 781 CD ARG A 46 -2.885 -3.745 14.152 1.00 0.00 C ATOM 782 NE ARG A 46 -2.500 -2.605 15.007 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.140 -2.177 16.079 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.601 -1.251 16.813 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.294 -2.656 16.450 1.00 0.00 N ATOM 0 H ARG A 46 0.579 -2.509 11.418 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.485 -4.296 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.770 -1.967 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.092 -2.909 11.570 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.022 -4.986 12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.872 -3.925 13.405 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.875 -3.565 13.734 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.955 -4.646 14.761 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.655 -2.098 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.693 -0.863 16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.086 -0.912 17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.740 -3.393 15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.751 -2.294 17.287 1.00 0.00 H new ATOM 799 N LEU A 47 -2.327 -2.659 8.619 1.00 0.00 N ATOM 800 CA LEU A 47 -2.807 -1.806 7.534 1.00 0.00 C ATOM 801 C LEU A 47 -4.028 -1.010 8.001 1.00 0.00 C ATOM 802 O LEU A 47 -4.951 -1.590 8.581 1.00 0.00 O ATOM 803 CB LEU A 47 -3.182 -2.704 6.344 1.00 0.00 C ATOM 804 CG LEU A 47 -3.737 -1.965 5.113 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.653 -1.172 4.386 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.333 -2.989 4.157 1.00 0.00 C ATOM 0 H LEU A 47 -2.792 -3.567 8.640 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.031 -1.101 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.299 -3.267 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.924 -3.430 6.677 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.494 -1.258 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.088 -0.666 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.227 -0.432 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.869 -1.851 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.730 -2.479 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.559 -3.692 3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.136 -3.530 4.657 1.00 0.00 H new ATOM 818 N ARG A 48 -4.085 0.275 7.645 1.00 0.00 N ATOM 819 CA ARG A 48 -5.313 1.078 7.667 1.00 0.00 C ATOM 820 C ARG A 48 -5.382 1.962 6.424 1.00 0.00 C ATOM 821 O ARG A 48 -4.717 2.991 6.328 1.00 0.00 O ATOM 822 CB ARG A 48 -5.406 1.859 8.989 1.00 0.00 C ATOM 823 CG ARG A 48 -6.753 2.590 9.130 1.00 0.00 C ATOM 824 CD ARG A 48 -7.048 2.963 10.590 1.00 0.00 C ATOM 825 NE ARG A 48 -6.147 4.023 11.070 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.337 5.324 10.972 1.00 0.00 C ATOM 827 NH1 ARG A 48 -5.395 6.170 11.242 1.00 0.00 N ATOM 828 NH2 ARG A 48 -7.462 5.850 10.591 1.00 0.00 N ATOM 0 H ARG A 48 -3.268 0.796 7.328 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.190 0.431 7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.276 1.173 9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.593 2.583 9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.743 3.493 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.553 1.956 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.082 3.295 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.941 2.080 11.221 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.286 3.720 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.478 5.835 11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.569 7.171 11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.250 5.249 10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.557 6.864 10.532 1.00 0.00 H new ATOM 842 N ILE A 49 -6.194 1.546 5.456 1.00 0.00 N ATOM 843 CA ILE A 49 -6.544 2.374 4.300 1.00 0.00 C ATOM 844 C ILE A 49 -7.618 3.365 4.737 1.00 0.00 C ATOM 845 O ILE A 49 -8.614 2.994 5.366 1.00 0.00 O ATOM 846 CB ILE A 49 -6.998 1.553 3.076 1.00 0.00 C ATOM 847 CG1 ILE A 49 -5.991 0.430 2.759 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.181 2.483 1.860 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.373 -0.384 1.521 1.00 0.00 C ATOM 0 H ILE A 49 -6.630 0.624 5.449 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.650 2.901 3.968 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.954 1.084 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.004 0.867 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.918 -0.238 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.502 1.897 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.936 3.236 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.235 2.975 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.626 -1.159 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.347 -0.848 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.419 0.274 0.653 1.00 0.00 H new ATOM 861 N THR A 50 -7.406 4.619 4.373 1.00 0.00 N ATOM 862 CA THR A 50 -8.229 5.774 4.731 1.00 0.00 C ATOM 863 C THR A 50 -8.443 6.683 3.518 1.00 0.00 C ATOM 864 O THR A 50 -7.828 6.472 2.476 1.00 0.00 O ATOM 865 CB THR A 50 -7.605 6.556 5.909 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.223 6.332 6.103 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.275 6.180 7.224 1.00 0.00 C ATOM 0 H THR A 50 -6.612 4.878 3.787 1.00 0.00 H new ATOM 0 HA THR A 50 -9.203 5.408 5.055 1.00 0.00 H new ATOM 0 HB THR A 50 -7.759 7.600 5.636 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.785 6.219 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.819 6.743 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.338 6.415 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.148 5.113 7.405 1.00 0.00 H new ATOM 875 N SER A 51 -9.306 7.695 3.615 1.00 0.00 N ATOM 876 CA SER A 51 -9.486 8.732 2.591 1.00 0.00 C ATOM 877 C SER A 51 -10.178 9.957 3.175 1.00 0.00 C ATOM 878 O SER A 51 -10.851 9.851 4.209 1.00 0.00 O ATOM 879 CB SER A 51 -10.323 8.160 1.438 1.00 0.00 C ATOM 880 OG SER A 51 -10.426 9.071 0.362 1.00 0.00 O ATOM 0 H SER A 51 -9.914 7.822 4.424 1.00 0.00 H new ATOM 0 HA SER A 51 -8.507 9.039 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.872 7.232 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.320 7.912 1.801 1.00 0.00 H new ATOM 0 HG SER A 51 -9.669 9.693 0.386 1.00 0.00 H new ATOM 886 N LYS A 52 -10.046 11.116 2.523 1.00 0.00 N ATOM 887 CA LYS A 52 -10.993 12.219 2.699 1.00 0.00 C ATOM 888 C LYS A 52 -11.217 13.090 1.452 1.00 0.00 C ATOM 889 O LYS A 52 -12.186 12.874 0.727 1.00 0.00 O ATOM 890 CB LYS A 52 -10.646 13.002 3.967 1.00 0.00 C ATOM 891 CG LYS A 52 -11.735 13.997 4.376 1.00 0.00 C ATOM 892 CD LYS A 52 -13.152 13.427 4.564 1.00 0.00 C ATOM 893 CE LYS A 52 -13.246 12.390 5.691 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.665 12.037 5.969 1.00 0.00 N ATOM 0 H LYS A 52 -9.290 11.314 1.867 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.980 11.778 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.477 12.301 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.711 13.540 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.431 14.470 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.781 14.782 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.840 14.246 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.478 12.969 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.691 11.494 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.781 12.785 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.704 11.334 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.185 12.891 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.098 11.639 5.111 1.00 0.00 H new ATOM 908 N GLY A 53 -10.367 14.093 1.215 1.00 0.00 N ATOM 909 CA GLY A 53 -10.597 15.173 0.238 1.00 0.00 C ATOM 910 C GLY A 53 -10.280 14.782 -1.206 1.00 0.00 C ATOM 911 O GLY A 53 -9.290 15.256 -1.768 1.00 0.00 O ATOM 0 H GLY A 53 -9.478 14.183 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.639 15.488 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.987 16.034 0.513 1.00 0.00 H new ATOM 915 N LYS A 54 -11.085 13.876 -1.786 1.00 0.00 N ATOM 916 CA LYS A 54 -10.867 13.242 -3.110 1.00 0.00 C ATOM 917 C LYS A 54 -9.463 12.630 -3.245 1.00 0.00 C ATOM 918 O LYS A 54 -8.886 12.581 -4.329 1.00 0.00 O ATOM 919 CB LYS A 54 -11.232 14.208 -4.257 1.00 0.00 C ATOM 920 CG LYS A 54 -12.697 14.669 -4.211 1.00 0.00 C ATOM 921 CD LYS A 54 -12.981 15.698 -5.312 1.00 0.00 C ATOM 922 CE LYS A 54 -14.406 16.239 -5.148 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.724 17.268 -6.173 1.00 0.00 N ATOM 0 H LYS A 54 -11.939 13.549 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.551 12.397 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.581 15.081 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.041 13.718 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.357 13.810 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.915 15.104 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.261 16.515 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.865 15.238 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.118 15.417 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.520 16.669 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.696 17.611 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.060 18.063 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.640 16.851 -7.122 1.00 0.00 H new ATOM 937 N THR A 55 -8.916 12.186 -2.112 1.00 0.00 N ATOM 938 CA THR A 55 -7.551 11.685 -1.945 1.00 0.00 C ATOM 939 C THR A 55 -7.570 10.593 -0.878 1.00 0.00 C ATOM 940 O THR A 55 -7.963 10.848 0.265 1.00 0.00 O ATOM 941 CB THR A 55 -6.591 12.807 -1.506 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.638 13.911 -2.388 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.138 12.336 -1.491 1.00 0.00 C ATOM 0 H THR A 55 -9.443 12.165 -1.239 1.00 0.00 H new ATOM 0 HA THR A 55 -7.198 11.295 -2.900 1.00 0.00 H new ATOM 0 HB THR A 55 -6.919 13.092 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.474 14.403 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.493 13.156 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.032 11.504 -0.795 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.850 12.011 -2.491 1.00 0.00 H new ATOM 951 N ALA A 56 -7.145 9.389 -1.256 1.00 0.00 N ATOM 952 CA ALA A 56 -7.002 8.249 -0.359 1.00 0.00 C ATOM 953 C ALA A 56 -5.624 8.253 0.318 1.00 0.00 C ATOM 954 O ALA A 56 -4.666 8.829 -0.193 1.00 0.00 O ATOM 955 CB ALA A 56 -7.295 6.951 -1.119 1.00 0.00 C ATOM 0 H ALA A 56 -6.885 9.176 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.733 8.324 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.187 6.102 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.313 6.979 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.594 6.848 -1.947 1.00 0.00 H new ATOM 961 N TYR A 57 -5.527 7.596 1.467 1.00 0.00 N ATOM 962 CA TYR A 57 -4.368 7.565 2.348 1.00 0.00 C ATOM 963 C TYR A 57 -4.128 6.115 2.796 1.00 0.00 C ATOM 964 O TYR A 57 -4.816 5.618 3.690 1.00 0.00 O ATOM 965 CB TYR A 57 -4.625 8.504 3.548 1.00 0.00 C ATOM 966 CG TYR A 57 -5.070 9.921 3.211 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.209 10.769 2.489 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.335 10.399 3.624 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.615 12.075 2.147 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.742 11.704 3.287 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.890 12.542 2.537 1.00 0.00 C ATOM 972 OH TYR A 57 -6.303 13.798 2.211 1.00 0.00 O ATOM 0 H TYR A 57 -6.301 7.038 1.829 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.473 7.915 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.385 8.048 4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.711 8.564 4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.231 10.417 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.990 9.762 4.199 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.952 12.718 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.709 12.065 3.604 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.206 13.946 2.561 1.00 0.00 H new ATOM 982 N ILE A 58 -3.171 5.413 2.181 1.00 0.00 N ATOM 983 CA ILE A 58 -2.740 4.087 2.653 1.00 0.00 C ATOM 984 C ILE A 58 -1.791 4.320 3.825 1.00 0.00 C ATOM 985 O ILE A 58 -0.650 4.734 3.612 1.00 0.00 O ATOM 986 CB ILE A 58 -2.088 3.230 1.536 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.057 2.831 0.398 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.530 1.922 2.132 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.357 3.942 -0.612 1.00 0.00 C ATOM 0 H ILE A 58 -2.676 5.740 1.351 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.607 3.507 2.968 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.307 3.862 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.636 1.979 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.996 2.498 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.074 1.327 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.780 2.157 2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.341 1.356 2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.044 3.568 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.811 4.789 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.430 4.261 -1.088 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.261 4.083 5.056 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.454 4.230 6.275 1.00 0.00 C ATOM 1003 C LYS A 59 -1.045 2.870 6.854 1.00 0.00 C ATOM 1004 O LYS A 59 -1.852 1.945 6.957 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.174 5.138 7.290 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.581 6.477 6.645 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.748 7.624 7.648 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.096 8.912 6.892 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.200 10.079 7.801 1.00 0.00 N ATOM 0 H LYS A 59 -3.219 3.782 5.236 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.518 4.726 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.060 4.631 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.521 5.325 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.828 6.758 5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.518 6.339 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.535 7.385 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.829 7.760 8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.334 9.107 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.040 8.779 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.437 10.929 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.945 9.905 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.292 10.223 8.286 1.00 0.00 H new ATOM 1023 N LEU A 60 0.224 2.762 7.238 1.00 0.00 N ATOM 1024 CA LEU A 60 0.782 1.648 8.007 1.00 0.00 C ATOM 1025 C LEU A 60 0.926 2.042 9.479 1.00 0.00 C ATOM 1026 O LEU A 60 1.454 3.111 9.786 1.00 0.00 O ATOM 1027 CB LEU A 60 2.152 1.243 7.440 1.00 0.00 C ATOM 1028 CG LEU A 60 2.196 0.339 6.195 1.00 0.00 C ATOM 1029 CD1 LEU A 60 1.112 -0.741 6.157 1.00 0.00 C ATOM 1030 CD2 LEU A 60 2.113 1.147 4.899 1.00 0.00 C ATOM 0 H LEU A 60 0.920 3.474 7.015 1.00 0.00 H new ATOM 0 HA LEU A 60 0.102 0.799 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.696 2.158 7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.703 0.740 8.234 1.00 0.00 H new ATOM 0 HG LEU A 60 3.161 -0.161 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.218 -1.331 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.216 -1.392 7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.129 -0.270 6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.147 0.470 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.179 1.708 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.953 1.839 4.847 1.00 0.00 H new ATOM 1042 N GLU A 61 0.488 1.177 10.392 1.00 0.00 N ATOM 1043 CA GLU A 61 0.397 1.473 11.829 1.00 0.00 C ATOM 1044 C GLU A 61 0.867 0.292 12.698 1.00 0.00 C ATOM 1045 O GLU A 61 0.741 -0.873 12.319 1.00 0.00 O ATOM 1046 CB GLU A 61 -1.036 1.903 12.195 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.430 3.231 11.521 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.817 3.750 11.940 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.010 4.988 11.994 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.758 2.947 12.135 1.00 0.00 O ATOM 0 H GLU A 61 0.180 0.234 10.155 1.00 0.00 H new ATOM 0 HA GLU A 61 1.074 2.301 12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.736 1.123 11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.118 2.007 13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.682 3.986 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.413 3.098 10.439 1.00 0.00 H new ATOM 1057 N ASP A 62 1.441 0.581 13.867 1.00 0.00 N ATOM 1058 CA ASP A 62 2.089 -0.422 14.714 1.00 0.00 C ATOM 1059 C ASP A 62 1.111 -1.427 15.338 1.00 0.00 C ATOM 1060 O ASP A 62 -0.035 -1.111 15.669 1.00 0.00 O ATOM 1061 CB ASP A 62 2.885 0.289 15.806 1.00 0.00 C ATOM 1062 CG ASP A 62 3.701 -0.692 16.650 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.685 -1.270 16.134 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.279 -0.979 17.790 1.00 0.00 O ATOM 0 H ASP A 62 1.470 1.524 14.255 1.00 0.00 H new ATOM 0 HA ASP A 62 2.748 -1.007 14.073 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.554 1.019 15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.202 0.842 16.451 1.00 0.00 H new ATOM 1069 N LYS A 63 1.607 -2.644 15.559 1.00 0.00 N ATOM 1070 CA LYS A 63 0.879 -3.781 16.144 1.00 0.00 C ATOM 1071 C LYS A 63 0.694 -3.764 17.671 1.00 0.00 C ATOM 1072 O LYS A 63 -0.011 -4.628 18.193 1.00 0.00 O ATOM 1073 CB LYS A 63 1.445 -5.123 15.609 1.00 0.00 C ATOM 1074 CG LYS A 63 2.952 -5.165 15.275 1.00 0.00 C ATOM 1075 CD LYS A 63 3.900 -4.791 16.422 1.00 0.00 C ATOM 1076 CE LYS A 63 5.331 -4.643 15.881 1.00 0.00 C ATOM 1077 NZ LYS A 63 6.099 -3.627 16.644 1.00 0.00 N ATOM 0 H LYS A 63 2.572 -2.880 15.326 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.148 -3.668 15.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.241 -5.896 16.350 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.891 -5.389 14.709 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.202 -6.170 14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.139 -4.490 14.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.577 -3.858 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.871 -5.558 17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.843 -5.604 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.296 -4.360 14.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.104 -3.682 16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.735 -2.678 16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.997 -3.808 17.663 1.00 0.00 H new ATOM 1091 N VAL A 64 1.258 -2.783 18.381 1.00 0.00 N ATOM 1092 CA VAL A 64 1.100 -2.604 19.837 1.00 0.00 C ATOM 1093 C VAL A 64 0.547 -1.220 20.180 1.00 0.00 C ATOM 1094 O VAL A 64 -0.420 -1.127 20.938 1.00 0.00 O ATOM 1095 CB VAL A 64 2.425 -2.864 20.590 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.219 -2.855 22.111 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.044 -4.218 20.219 1.00 0.00 C ATOM 0 H VAL A 64 1.852 -2.072 17.955 1.00 0.00 H new ATOM 0 HA VAL A 64 0.374 -3.346 20.169 1.00 0.00 H new ATOM 0 HB VAL A 64 3.094 -2.057 20.292 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.171 -3.041 22.608 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.832 -1.884 22.420 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.508 -3.634 22.386 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.973 -4.357 20.772 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.348 -5.018 20.472 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.252 -4.242 19.149 1.00 0.00 H new ATOM 1107 N SER A 65 1.109 -0.145 19.613 1.00 0.00 N ATOM 1108 CA SER A 65 0.697 1.236 19.927 1.00 0.00 C ATOM 1109 C SER A 65 -0.330 1.813 18.949 1.00 0.00 C ATOM 1110 O SER A 65 -1.072 2.734 19.298 1.00 0.00 O ATOM 1111 CB SER A 65 1.924 2.150 19.967 1.00 0.00 C ATOM 1112 OG SER A 65 2.578 2.120 18.717 1.00 0.00 O ATOM 0 H SER A 65 1.860 -0.204 18.925 1.00 0.00 H new ATOM 0 HA SER A 65 0.212 1.191 20.902 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.623 3.170 20.207 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.606 1.826 20.753 1.00 0.00 H new ATOM 0 HG SER A 65 3.491 1.782 18.833 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.368 1.294 17.716 1.00 0.00 N ATOM 1119 CA GLY A 66 -1.104 1.901 16.602 1.00 0.00 C ATOM 1120 C GLY A 66 -0.455 3.184 16.066 1.00 0.00 C ATOM 1121 O GLY A 66 -1.102 3.929 15.328 1.00 0.00 O ATOM 0 H GLY A 66 0.116 0.433 17.462 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.182 1.177 15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.120 2.126 16.928 1.00 0.00 H new ATOM 1125 N GLU A 67 0.803 3.469 16.428 1.00 0.00 N ATOM 1126 CA GLU A 67 1.529 4.647 15.947 1.00 0.00 C ATOM 1127 C GLU A 67 1.861 4.533 14.449 1.00 0.00 C ATOM 1128 O GLU A 67 2.058 3.431 13.927 1.00 0.00 O ATOM 1129 CB GLU A 67 2.767 4.922 16.816 1.00 0.00 C ATOM 1130 CG GLU A 67 3.976 4.021 16.522 1.00 0.00 C ATOM 1131 CD GLU A 67 5.062 4.201 17.600 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.025 4.976 17.379 1.00 0.00 O ATOM 1133 OE2 GLU A 67 4.955 3.568 18.679 1.00 0.00 O ATOM 0 H GLU A 67 1.346 2.886 17.065 1.00 0.00 H new ATOM 0 HA GLU A 67 0.877 5.515 16.046 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.065 5.962 16.680 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.491 4.805 17.864 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.660 2.979 16.488 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.386 4.262 15.541 1.00 0.00 H new ATOM 1140 N LEU A 68 1.923 5.668 13.751 1.00 0.00 N ATOM 1141 CA LEU A 68 2.127 5.714 12.302 1.00 0.00 C ATOM 1142 C LEU A 68 3.565 5.314 11.923 1.00 0.00 C ATOM 1143 O LEU A 68 4.529 5.947 12.363 1.00 0.00 O ATOM 1144 CB LEU A 68 1.767 7.123 11.790 1.00 0.00 C ATOM 1145 CG LEU A 68 1.760 7.254 10.254 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.565 6.533 9.634 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.672 8.724 9.847 1.00 0.00 C ATOM 0 H LEU A 68 1.832 6.589 14.179 1.00 0.00 H new ATOM 0 HA LEU A 68 1.472 4.987 11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.783 7.396 12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.478 7.840 12.201 1.00 0.00 H new ATOM 0 HG LEU A 68 2.686 6.805 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.593 6.647 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.607 5.474 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.359 6.963 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.668 8.801 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.754 9.157 10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.531 9.264 10.246 1.00 0.00 H new ATOM 1159 N PHE A 69 3.704 4.306 11.060 1.00 0.00 N ATOM 1160 CA PHE A 69 4.971 3.950 10.413 1.00 0.00 C ATOM 1161 C PHE A 69 5.207 4.807 9.160 1.00 0.00 C ATOM 1162 O PHE A 69 6.247 5.461 9.040 1.00 0.00 O ATOM 1163 CB PHE A 69 4.984 2.447 10.084 1.00 0.00 C ATOM 1164 CG PHE A 69 6.153 2.014 9.212 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.472 2.141 9.692 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.935 1.532 7.904 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.563 1.798 8.873 1.00 0.00 C ATOM 1168 CE2 PHE A 69 7.028 1.214 7.079 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.342 1.340 7.563 1.00 0.00 C ATOM 0 H PHE A 69 2.928 3.704 10.786 1.00 0.00 H new ATOM 0 HA PHE A 69 5.791 4.156 11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.010 1.882 11.016 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.053 2.188 9.580 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.646 2.504 10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.927 1.407 7.536 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.571 1.887 9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.858 0.871 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.179 1.086 6.930 1.00 0.00 H new ATOM 1179 N ALA A 70 4.234 4.822 8.243 1.00 0.00 N ATOM 1180 CA ALA A 70 4.300 5.528 6.963 1.00 0.00 C ATOM 1181 C ALA A 70 2.894 5.778 6.382 1.00 0.00 C ATOM 1182 O ALA A 70 1.952 5.050 6.709 1.00 0.00 O ATOM 1183 CB ALA A 70 5.142 4.681 5.999 1.00 0.00 C ATOM 0 H ALA A 70 3.352 4.327 8.377 1.00 0.00 H new ATOM 0 HA ALA A 70 4.758 6.506 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.208 5.185 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.143 4.550 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.674 3.706 5.868 1.00 0.00 H new ATOM 1189 N GLN A 71 2.751 6.772 5.495 1.00 0.00 N ATOM 1190 CA GLN A 71 1.499 7.045 4.774 1.00 0.00 C ATOM 1191 C GLN A 71 1.728 7.405 3.298 1.00 0.00 C ATOM 1192 O GLN A 71 2.648 8.159 2.983 1.00 0.00 O ATOM 1193 CB GLN A 71 0.677 8.115 5.517 1.00 0.00 C ATOM 1194 CG GLN A 71 1.234 9.553 5.466 1.00 0.00 C ATOM 1195 CD GLN A 71 0.688 10.385 4.302 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.479 10.325 3.938 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.493 11.220 3.689 1.00 0.00 N ATOM 0 H GLN A 71 3.506 7.414 5.255 1.00 0.00 H new ATOM 0 HA GLN A 71 0.919 6.122 4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.331 8.122 5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.590 7.817 6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.999 10.058 6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.321 9.510 5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.470 11.288 3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.142 11.801 2.928 1.00 0.00 H new ATOM 1206 N ALA A 72 0.888 6.887 2.399 1.00 0.00 N ATOM 1207 CA ALA A 72 0.938 7.140 0.957 1.00 0.00 C ATOM 1208 C ALA A 72 -0.367 7.796 0.446 1.00 0.00 C ATOM 1209 O ALA A 72 -1.411 7.131 0.436 1.00 0.00 O ATOM 1210 CB ALA A 72 1.246 5.821 0.239 1.00 0.00 C ATOM 0 H ALA A 72 0.129 6.259 2.664 1.00 0.00 H new ATOM 0 HA ALA A 72 1.732 7.855 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.287 5.993 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.207 5.436 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.464 5.095 0.461 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.336 9.078 0.025 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.492 9.787 -0.520 1.00 0.00 C ATOM 1218 C PRO A 73 -1.700 9.483 -2.015 1.00 0.00 C ATOM 1219 O PRO A 73 -0.813 9.713 -2.838 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.215 11.269 -0.255 1.00 0.00 C ATOM 1221 CG PRO A 73 0.308 11.364 -0.328 1.00 0.00 C ATOM 1222 CD PRO A 73 0.774 10.007 0.203 1.00 0.00 C ATOM 0 HA PRO A 73 -2.422 9.470 -0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.693 11.906 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.591 11.580 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.651 11.536 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.689 12.185 0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.656 9.663 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.053 10.079 1.254 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.890 8.996 -2.374 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.314 8.607 -3.733 1.00 0.00 C ATOM 1232 C VAL A 74 -4.432 9.542 -4.202 1.00 0.00 C ATOM 1233 O VAL A 74 -5.495 9.592 -3.586 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.799 7.139 -3.743 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.323 6.702 -5.110 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.716 6.131 -3.342 1.00 0.00 C ATOM 0 H VAL A 74 -3.631 8.852 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.467 8.691 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.599 7.132 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.650 5.663 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.164 7.334 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.529 6.797 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.129 5.123 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.879 6.201 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.370 6.352 -2.332 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.227 10.273 -5.300 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.200 11.269 -5.799 1.00 0.00 C ATOM 1248 C GLU A 75 -6.348 10.669 -6.632 1.00 0.00 C ATOM 1249 O GLU A 75 -7.396 11.294 -6.794 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.469 12.359 -6.599 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.501 13.177 -5.732 1.00 0.00 C ATOM 1252 CD GLU A 75 -2.870 14.322 -6.548 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -1.827 14.100 -7.210 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -3.409 15.456 -6.531 1.00 0.00 O ATOM 0 H GLU A 75 -3.386 10.197 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.673 11.700 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.916 11.896 -7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.202 13.028 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.032 13.587 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.717 12.527 -5.342 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.151 9.463 -7.170 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.165 8.634 -7.845 1.00 0.00 C ATOM 1263 C GLN A 76 -6.618 7.209 -8.026 1.00 0.00 C ATOM 1264 O GLN A 76 -5.406 7.013 -7.922 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.658 9.266 -9.172 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.647 10.010 -10.070 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.745 9.073 -10.862 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -5.917 8.853 -12.054 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.770 8.464 -10.230 1.00 0.00 N ATOM 0 H GLN A 76 -5.237 9.012 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.053 8.581 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.104 8.471 -9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.456 9.966 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.190 10.652 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.030 10.660 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.618 8.640 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.164 7.815 -10.732 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.475 6.217 -8.286 1.00 0.00 N ATOM 1279 CA TYR A 77 -7.075 4.807 -8.333 1.00 0.00 C ATOM 1280 C TYR A 77 -7.345 4.134 -9.697 1.00 0.00 C ATOM 1281 O TYR A 77 -8.481 4.197 -10.180 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.763 4.044 -7.197 1.00 0.00 C ATOM 1283 CG TYR A 77 -7.142 2.688 -6.955 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.922 2.625 -6.266 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.734 1.516 -7.448 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -5.261 1.395 -6.091 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.113 0.271 -7.225 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.869 0.207 -6.557 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.260 -0.996 -6.376 1.00 0.00 O ATOM 0 H TYR A 77 -8.467 6.369 -8.470 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.994 4.774 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.709 4.634 -6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.820 3.920 -7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.486 3.529 -5.866 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.663 1.568 -7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.297 1.359 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.589 -0.637 -7.565 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.719 -0.969 -5.559 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.353 3.442 -10.298 1.00 0.00 N ATOM 1300 CA PRO A 78 -4.930 3.431 -9.929 1.00 0.00 C ATOM 1301 C PRO A 78 -4.250 4.802 -10.120 1.00 0.00 C ATOM 1302 O PRO A 78 -4.644 5.593 -10.980 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.275 2.360 -10.812 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.446 1.474 -11.237 1.00 0.00 C ATOM 1305 CD PRO A 78 -6.580 2.485 -11.368 1.00 0.00 C ATOM 0 HA PRO A 78 -4.818 3.209 -8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.775 2.802 -11.673 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.523 1.793 -10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.248 0.960 -12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.667 0.707 -10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.565 2.972 -12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.553 2.003 -11.267 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.210 5.081 -9.331 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.432 6.329 -9.399 1.00 0.00 C ATOM 1315 C GLY A 79 -0.949 6.163 -9.051 1.00 0.00 C ATOM 1316 O GLY A 79 -0.519 5.090 -8.639 1.00 0.00 O ATOM 0 H GLY A 79 -2.876 4.438 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.514 6.741 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.874 7.057 -8.719 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.160 7.236 -9.181 1.00 0.00 N ATOM 1321 CA ILE A 80 1.306 7.235 -8.970 1.00 0.00 C ATOM 1322 C ILE A 80 1.745 6.654 -7.612 1.00 0.00 C ATOM 1323 O ILE A 80 2.816 6.062 -7.499 1.00 0.00 O ATOM 1324 CB ILE A 80 1.863 8.669 -9.166 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.398 8.775 -9.025 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.235 9.690 -8.195 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.188 7.905 -10.007 1.00 0.00 C ATOM 0 H ILE A 80 -0.524 8.153 -9.441 1.00 0.00 H new ATOM 0 HA ILE A 80 1.729 6.565 -9.719 1.00 0.00 H new ATOM 0 HB ILE A 80 1.587 8.905 -10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.692 9.815 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.677 8.498 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.662 10.676 -8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.157 9.727 -8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.441 9.390 -7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.256 8.042 -9.837 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.928 6.857 -9.856 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.943 8.196 -11.029 1.00 0.00 H new ATOM 1339 N ALA A 81 0.909 6.789 -6.581 1.00 0.00 N ATOM 1340 CA ALA A 81 1.207 6.370 -5.218 1.00 0.00 C ATOM 1341 C ALA A 81 0.783 4.928 -4.891 1.00 0.00 C ATOM 1342 O ALA A 81 0.852 4.544 -3.724 1.00 0.00 O ATOM 1343 CB ALA A 81 0.638 7.437 -4.278 1.00 0.00 C ATOM 0 H ALA A 81 -0.018 7.204 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 81 2.287 6.311 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.842 7.158 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.105 8.398 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.439 7.516 -4.427 1.00 0.00 H new ATOM 1349 N VAL A 82 0.379 4.124 -5.884 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.049 2.726 -5.696 1.00 0.00 C ATOM 1351 C VAL A 82 0.110 1.860 -6.956 1.00 0.00 C ATOM 1352 O VAL A 82 -0.200 2.270 -8.072 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.490 2.660 -5.164 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.504 3.299 -6.113 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.862 1.225 -4.771 1.00 0.00 C ATOM 0 H VAL A 82 0.339 4.429 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 82 0.624 2.302 -4.951 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.530 3.265 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.503 3.222 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.253 4.349 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.480 2.782 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.886 1.204 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.780 0.576 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.185 0.874 -3.993 1.00 0.00 H new ATOM 1365 N GLU A 83 0.583 0.630 -6.769 1.00 0.00 N ATOM 1366 CA GLU A 83 0.960 -0.316 -7.833 1.00 0.00 C ATOM 1367 C GLU A 83 0.817 -1.789 -7.409 1.00 0.00 C ATOM 1368 O GLU A 83 0.803 -2.121 -6.223 1.00 0.00 O ATOM 1369 CB GLU A 83 2.415 -0.066 -8.281 1.00 0.00 C ATOM 1370 CG GLU A 83 2.532 1.077 -9.289 1.00 0.00 C ATOM 1371 CD GLU A 83 3.905 1.067 -9.976 1.00 0.00 C ATOM 1372 OE1 GLU A 83 4.810 1.837 -9.579 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.099 0.295 -10.942 1.00 0.00 O ATOM 0 H GLU A 83 0.722 0.243 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 83 0.268 -0.139 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.026 0.161 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.817 -0.978 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.746 0.987 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.382 2.030 -8.782 1.00 0.00 H new ATOM 1380 N THR A 84 0.757 -2.680 -8.399 1.00 0.00 N ATOM 1381 CA THR A 84 0.672 -4.148 -8.277 1.00 0.00 C ATOM 1382 C THR A 84 1.949 -4.823 -8.796 1.00 0.00 C ATOM 1383 O THR A 84 2.719 -4.235 -9.561 1.00 0.00 O ATOM 1384 CB THR A 84 -0.536 -4.673 -9.077 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.449 -4.279 -10.433 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.859 -4.126 -8.542 1.00 0.00 C ATOM 0 H THR A 84 0.767 -2.383 -9.375 1.00 0.00 H new ATOM 0 HA THR A 84 0.553 -4.389 -7.221 1.00 0.00 H new ATOM 0 HB THR A 84 -0.513 -5.758 -8.978 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.224 -4.623 -10.924 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.683 -4.522 -9.135 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.983 -4.427 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.856 -3.038 -8.607 1.00 0.00 H new ATOM 1394 N VAL A 85 2.175 -6.078 -8.399 1.00 0.00 N ATOM 1395 CA VAL A 85 3.193 -6.963 -8.986 1.00 0.00 C ATOM 1396 C VAL A 85 2.628 -7.748 -10.187 1.00 0.00 C ATOM 1397 O VAL A 85 1.428 -7.700 -10.474 1.00 0.00 O ATOM 1398 CB VAL A 85 3.747 -7.927 -7.923 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.335 -7.158 -6.738 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.676 -8.890 -7.424 1.00 0.00 C ATOM 0 H VAL A 85 1.647 -6.519 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 85 4.009 -6.339 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 85 4.537 -8.506 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.720 -7.863 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.146 -6.518 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.559 -6.544 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.105 -9.555 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.856 -8.325 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.299 -9.480 -8.260 1.00 0.00 H new ATOM 1410 N THR A 86 3.474 -8.523 -10.863 1.00 0.00 N ATOM 1411 CA THR A 86 3.135 -9.344 -12.039 1.00 0.00 C ATOM 1412 C THR A 86 2.817 -10.801 -11.691 1.00 0.00 C ATOM 1413 O THR A 86 2.008 -11.435 -12.369 1.00 0.00 O ATOM 1414 CB THR A 86 4.295 -9.328 -13.050 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.449 -9.905 -12.482 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.670 -7.908 -13.470 1.00 0.00 C ATOM 0 H THR A 86 4.456 -8.604 -10.601 1.00 0.00 H new ATOM 0 HA THR A 86 2.236 -8.899 -12.466 1.00 0.00 H new ATOM 0 HB THR A 86 3.952 -9.892 -13.918 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.178 -9.890 -13.136 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.493 -7.945 -14.184 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.809 -7.426 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.976 -7.338 -12.593 1.00 0.00 H new ATOM 1424 N ASP A 87 3.449 -11.343 -10.643 1.00 0.00 N ATOM 1425 CA ASP A 87 3.477 -12.788 -10.377 1.00 0.00 C ATOM 1426 C ASP A 87 2.373 -13.264 -9.418 1.00 0.00 C ATOM 1427 O ASP A 87 1.753 -14.301 -9.666 1.00 0.00 O ATOM 1428 CB ASP A 87 4.861 -13.173 -9.844 1.00 0.00 C ATOM 1429 CG ASP A 87 5.022 -14.700 -9.746 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.298 -15.345 -10.787 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.871 -15.260 -8.634 1.00 0.00 O ATOM 0 H ASP A 87 3.957 -10.790 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 87 3.278 -13.293 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.631 -12.766 -10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.011 -12.726 -8.861 1.00 0.00 H new ATOM 1436 N SER A 88 2.115 -12.512 -8.339 1.00 0.00 N ATOM 1437 CA SER A 88 1.121 -12.898 -7.313 1.00 0.00 C ATOM 1438 C SER A 88 0.330 -11.714 -6.756 1.00 0.00 C ATOM 1439 O SER A 88 0.899 -10.793 -6.179 1.00 0.00 O ATOM 1440 CB SER A 88 1.810 -13.663 -6.179 1.00 0.00 C ATOM 1441 OG SER A 88 0.847 -14.075 -5.220 1.00 0.00 O ATOM 0 H SER A 88 2.582 -11.625 -8.148 1.00 0.00 H new ATOM 0 HA SER A 88 0.394 -13.542 -7.808 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.332 -14.532 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.561 -13.030 -5.705 1.00 0.00 H new ATOM 0 HG SER A 88 1.293 -14.565 -4.498 1.00 0.00 H new ATOM 1447 N SER A 89 -1.001 -11.732 -6.878 1.00 0.00 N ATOM 1448 CA SER A 89 -1.855 -10.565 -6.589 1.00 0.00 C ATOM 1449 C SER A 89 -1.963 -10.178 -5.101 1.00 0.00 C ATOM 1450 O SER A 89 -2.661 -9.214 -4.785 1.00 0.00 O ATOM 1451 CB SER A 89 -3.265 -10.736 -7.180 1.00 0.00 C ATOM 1452 OG SER A 89 -3.273 -11.529 -8.363 1.00 0.00 O ATOM 0 H SER A 89 -1.522 -12.555 -7.180 1.00 0.00 H new ATOM 0 HA SER A 89 -1.338 -9.739 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.913 -11.196 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.683 -9.754 -7.403 1.00 0.00 H new ATOM 0 HG SER A 89 -3.475 -10.961 -9.136 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.287 -10.887 -4.178 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.255 -10.566 -2.738 1.00 0.00 C ATOM 1460 C ARG A 90 -0.158 -9.565 -2.328 1.00 0.00 C ATOM 1461 O ARG A 90 0.156 -9.449 -1.142 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.384 -11.835 -1.870 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.075 -12.609 -1.692 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.220 -13.812 -0.752 1.00 0.00 C ATOM 1465 NE ARG A 90 1.108 -14.365 -0.428 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.399 -15.375 0.369 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.637 -15.757 0.482 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.503 -16.022 1.061 1.00 0.00 N ATOM 0 H ARG A 90 -0.738 -11.713 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.153 -9.988 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.763 -11.553 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.125 -12.495 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.273 -12.954 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.689 -11.937 -1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.729 -13.509 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.837 -14.578 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 90 1.902 -13.909 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.369 -15.277 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.876 -16.537 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.479 -15.754 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.784 -16.796 1.662 1.00 0.00 H new ATOM 1482 N TYR A 91 0.422 -8.842 -3.291 1.00 0.00 N ATOM 1483 CA TYR A 91 1.554 -7.939 -3.099 1.00 0.00 C ATOM 1484 C TYR A 91 1.347 -6.627 -3.874 1.00 0.00 C ATOM 1485 O TYR A 91 0.933 -6.641 -5.038 1.00 0.00 O ATOM 1486 CB TYR A 91 2.838 -8.649 -3.549 1.00 0.00 C ATOM 1487 CG TYR A 91 3.186 -9.910 -2.776 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.888 -9.813 -1.561 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.817 -11.177 -3.272 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.196 -10.973 -0.825 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.155 -12.343 -2.558 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.831 -12.243 -1.324 1.00 0.00 C ATOM 1493 OH TYR A 91 4.104 -13.371 -0.613 1.00 0.00 O ATOM 0 H TYR A 91 0.102 -8.873 -4.259 1.00 0.00 H new ATOM 0 HA TYR A 91 1.637 -7.680 -2.043 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.742 -8.904 -4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.670 -7.949 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.192 -8.845 -1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.274 -11.254 -4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.711 -10.892 0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.897 -13.314 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 91 4.097 -13.164 0.345 1.00 0.00 H new ATOM 1503 N PHE A 92 1.661 -5.495 -3.239 1.00 0.00 N ATOM 1504 CA PHE A 92 1.488 -4.143 -3.786 1.00 0.00 C ATOM 1505 C PHE A 92 2.697 -3.262 -3.478 1.00 0.00 C ATOM 1506 O PHE A 92 3.438 -3.534 -2.539 1.00 0.00 O ATOM 1507 CB PHE A 92 0.234 -3.483 -3.192 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.043 -4.253 -3.433 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.674 -4.206 -4.688 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.589 -5.033 -2.401 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.838 -4.962 -4.914 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.765 -5.765 -2.617 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.380 -5.744 -3.882 1.00 0.00 C ATOM 0 H PHE A 92 2.056 -5.492 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 92 1.383 -4.240 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.375 -3.362 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.128 -2.484 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.266 -3.591 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.102 -5.069 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.315 -4.941 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.198 -6.344 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.270 -6.330 -4.059 1.00 0.00 H new ATOM 1523 N VAL A 93 2.868 -2.177 -4.227 1.00 0.00 N ATOM 1524 CA VAL A 93 3.796 -1.084 -3.901 1.00 0.00 C ATOM 1525 C VAL A 93 2.995 0.190 -3.665 1.00 0.00 C ATOM 1526 O VAL A 93 2.013 0.428 -4.364 1.00 0.00 O ATOM 1527 CB VAL A 93 4.865 -0.901 -4.998 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.803 0.287 -4.766 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.726 -2.157 -5.099 1.00 0.00 C ATOM 0 H VAL A 93 2.358 -2.024 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 93 4.340 -1.332 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 93 4.308 -0.710 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.524 0.346 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.221 1.208 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.332 0.154 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.479 -2.021 -5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.219 -2.338 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.096 -3.011 -5.350 1.00 0.00 H new ATOM 1539 N ILE A 94 3.409 1.025 -2.710 1.00 0.00 N ATOM 1540 CA ILE A 94 2.851 2.367 -2.512 1.00 0.00 C ATOM 1541 C ILE A 94 3.957 3.410 -2.325 1.00 0.00 C ATOM 1542 O ILE A 94 5.035 3.102 -1.808 1.00 0.00 O ATOM 1543 CB ILE A 94 1.794 2.432 -1.383 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.302 2.076 0.036 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.515 1.658 -1.734 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.415 0.582 0.382 1.00 0.00 C ATOM 0 H ILE A 94 4.147 0.788 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 94 2.314 2.613 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 94 1.551 3.493 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.284 2.530 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.635 2.542 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.194 1.735 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.071 2.079 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.760 0.610 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.782 0.472 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.435 0.113 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.109 0.100 -0.307 1.00 0.00 H new ATOM 1558 N ARG A 95 3.694 4.654 -2.747 1.00 0.00 N ATOM 1559 CA ARG A 95 4.640 5.778 -2.625 1.00 0.00 C ATOM 1560 C ARG A 95 4.382 6.551 -1.336 1.00 0.00 C ATOM 1561 O ARG A 95 3.614 7.516 -1.328 1.00 0.00 O ATOM 1562 CB ARG A 95 4.615 6.668 -3.882 1.00 0.00 C ATOM 1563 CG ARG A 95 5.895 7.512 -3.970 1.00 0.00 C ATOM 1564 CD ARG A 95 5.902 8.456 -5.180 1.00 0.00 C ATOM 1565 NE ARG A 95 5.069 9.661 -4.972 1.00 0.00 N ATOM 1566 CZ ARG A 95 5.000 10.707 -5.779 1.00 0.00 C ATOM 1567 NH1 ARG A 95 4.315 11.763 -5.446 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.613 10.734 -6.928 1.00 0.00 N ATOM 0 H ARG A 95 2.811 4.914 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 95 5.654 5.383 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.520 6.047 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.743 7.321 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.002 8.098 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.759 6.849 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.927 8.761 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.542 7.918 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 95 4.495 9.688 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.823 11.791 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.271 12.562 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.167 9.932 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.539 11.557 -7.526 1.00 0.00 H new ATOM 1582 N ILE A 96 4.999 6.124 -0.240 1.00 0.00 N ATOM 1583 CA ILE A 96 4.872 6.812 1.050 1.00 0.00 C ATOM 1584 C ILE A 96 5.602 8.162 1.019 1.00 0.00 C ATOM 1585 O ILE A 96 6.673 8.290 0.423 1.00 0.00 O ATOM 1586 CB ILE A 96 5.227 5.919 2.257 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.700 5.453 2.321 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.291 4.699 2.307 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.594 6.359 3.177 1.00 0.00 C ATOM 0 H ILE A 96 5.598 5.299 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 96 3.817 7.036 1.206 1.00 0.00 H new ATOM 0 HB ILE A 96 5.086 6.555 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.735 4.440 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.103 5.410 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.551 4.076 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.259 5.036 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.399 4.120 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.613 5.971 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.590 7.368 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.216 6.383 4.199 1.00 0.00 H new ATOM 1601 N GLN A 97 4.974 9.186 1.600 1.00 0.00 N ATOM 1602 CA GLN A 97 5.351 10.599 1.474 1.00 0.00 C ATOM 1603 C GLN A 97 5.208 11.333 2.813 1.00 0.00 C ATOM 1604 O GLN A 97 4.337 11.023 3.628 1.00 0.00 O ATOM 1605 CB GLN A 97 4.489 11.275 0.388 1.00 0.00 C ATOM 1606 CG GLN A 97 4.934 10.896 -1.036 1.00 0.00 C ATOM 1607 CD GLN A 97 3.857 11.099 -2.094 1.00 0.00 C ATOM 1608 OE1 GLN A 97 3.676 12.166 -2.661 1.00 0.00 O ATOM 1609 NE2 GLN A 97 3.147 10.061 -2.476 1.00 0.00 N ATOM 0 H GLN A 97 4.157 9.051 2.195 1.00 0.00 H new ATOM 0 HA GLN A 97 6.399 10.652 1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.446 10.991 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.543 12.357 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.808 11.490 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.244 9.851 -1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.278 9.158 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.465 10.158 -3.229 1.00 0.00 H new ATOM 1682 N SER A 103 9.596 11.488 -0.868 1.00 0.00 N ATOM 1683 CA SER A 103 8.918 10.244 -1.232 1.00 0.00 C ATOM 1684 C SER A 103 9.819 9.002 -1.237 1.00 0.00 C ATOM 1685 O SER A 103 11.028 9.091 -1.477 1.00 0.00 O ATOM 1686 CB SER A 103 8.218 10.397 -2.591 1.00 0.00 C ATOM 1687 OG SER A 103 9.138 10.559 -3.658 1.00 0.00 O ATOM 0 HA SER A 103 8.185 10.071 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.599 9.520 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.550 11.257 -2.557 1.00 0.00 H new ATOM 0 HG SER A 103 9.938 11.022 -3.333 1.00 0.00 H new ATOM 1693 N ALA A 104 9.214 7.835 -0.999 1.00 0.00 N ATOM 1694 CA ALA A 104 9.821 6.516 -1.186 1.00 0.00 C ATOM 1695 C ALA A 104 8.777 5.494 -1.667 1.00 0.00 C ATOM 1696 O ALA A 104 7.644 5.484 -1.187 1.00 0.00 O ATOM 1697 CB ALA A 104 10.471 6.067 0.130 1.00 0.00 C ATOM 0 H ALA A 104 8.254 7.782 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 104 10.589 6.580 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.924 5.085 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.239 6.784 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.712 6.012 0.911 1.00 0.00 H new ATOM 1703 N PHE A 105 9.158 4.606 -2.587 1.00 0.00 N ATOM 1704 CA PHE A 105 8.338 3.456 -2.980 1.00 0.00 C ATOM 1705 C PHE A 105 8.642 2.261 -2.066 1.00 0.00 C ATOM 1706 O PHE A 105 9.780 1.785 -2.018 1.00 0.00 O ATOM 1707 CB PHE A 105 8.565 3.116 -4.460 1.00 0.00 C ATOM 1708 CG PHE A 105 7.929 4.086 -5.441 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.564 3.963 -5.765 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.700 5.087 -6.064 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.979 4.806 -6.725 1.00 0.00 C ATOM 1712 CE2 PHE A 105 8.112 5.943 -7.014 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.755 5.795 -7.353 1.00 0.00 C ATOM 0 H PHE A 105 10.047 4.663 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 105 7.284 3.707 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.638 3.080 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.174 2.117 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.962 3.215 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.744 5.198 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.935 4.694 -6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.704 6.715 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.310 6.441 -8.095 1.00 0.00 H new ATOM 1723 N ILE A 106 7.626 1.773 -1.352 1.00 0.00 N ATOM 1724 CA ILE A 106 7.714 0.596 -0.470 1.00 0.00 C ATOM 1725 C ILE A 106 6.769 -0.508 -0.944 1.00 0.00 C ATOM 1726 O ILE A 106 5.655 -0.225 -1.383 1.00 0.00 O ATOM 1727 CB ILE A 106 7.492 0.952 1.021 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.033 1.329 1.370 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.463 2.072 1.430 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.762 1.454 2.874 1.00 0.00 C ATOM 0 H ILE A 106 6.696 2.191 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 106 8.733 0.216 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 106 7.697 0.048 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.788 2.275 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.365 0.576 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.307 2.323 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.489 1.734 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.281 2.953 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.717 1.721 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.973 0.502 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.403 2.228 3.296 1.00 0.00 H new ATOM 1742 N GLY A 107 7.202 -1.762 -0.844 1.00 0.00 N ATOM 1743 CA GLY A 107 6.379 -2.936 -1.123 1.00 0.00 C ATOM 1744 C GLY A 107 5.679 -3.420 0.144 1.00 0.00 C ATOM 1745 O GLY A 107 6.267 -3.364 1.224 1.00 0.00 O ATOM 0 H GLY A 107 8.154 -1.995 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.637 -2.693 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.001 -3.734 -1.528 1.00 0.00 H new ATOM 1749 N ILE A 108 4.448 -3.915 0.019 1.00 0.00 N ATOM 1750 CA ILE A 108 3.709 -4.613 1.077 1.00 0.00 C ATOM 1751 C ILE A 108 3.166 -5.959 0.592 1.00 0.00 C ATOM 1752 O ILE A 108 2.716 -6.087 -0.549 1.00 0.00 O ATOM 1753 CB ILE A 108 2.595 -3.757 1.724 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.560 -3.201 0.721 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.230 -2.647 2.570 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.349 -2.541 1.399 1.00 0.00 C ATOM 0 H ILE A 108 3.918 -3.840 -0.849 1.00 0.00 H new ATOM 0 HA ILE A 108 4.436 -4.803 1.866 1.00 0.00 H new ATOM 0 HB ILE A 108 2.016 -4.419 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.047 -2.472 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.212 -4.012 0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.445 -2.043 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.846 -3.092 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.851 -2.015 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.338 -2.172 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.162 -3.273 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.687 -1.709 2.017 1.00 0.00 H new ATOM 1768 N GLY A 109 3.205 -6.960 1.472 1.00 0.00 N ATOM 1769 CA GLY A 109 2.687 -8.310 1.237 1.00 0.00 C ATOM 1770 C GLY A 109 1.614 -8.726 2.243 1.00 0.00 C ATOM 1771 O GLY A 109 1.692 -8.391 3.430 1.00 0.00 O ATOM 0 H GLY A 109 3.612 -6.850 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.272 -8.363 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.512 -9.021 1.280 1.00 0.00 H new ATOM 1775 N PHE A 110 0.613 -9.456 1.750 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.558 -9.920 2.500 1.00 0.00 C ATOM 1777 C PHE A 110 -0.489 -11.431 2.777 1.00 0.00 C ATOM 1778 O PHE A 110 0.273 -12.166 2.146 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.837 -9.552 1.725 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.199 -8.075 1.731 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -3.390 -7.647 2.349 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -1.356 -7.125 1.118 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -3.734 -6.283 2.356 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -1.676 -5.761 1.171 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.872 -5.341 1.770 1.00 0.00 C ATOM 0 H PHE A 110 0.594 -9.754 0.775 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.573 -9.423 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.721 -9.876 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.671 -10.115 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -4.042 -8.369 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.462 -7.449 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.659 -5.961 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.000 -5.032 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.131 -4.293 1.781 1.00 0.00 H new ATOM 1795 N THR A 111 -1.324 -11.910 3.703 1.00 0.00 N ATOM 1796 CA THR A 111 -1.430 -13.340 4.040 1.00 0.00 C ATOM 1797 C THR A 111 -2.172 -14.144 2.964 1.00 0.00 C ATOM 1798 O THR A 111 -1.838 -15.302 2.704 1.00 0.00 O ATOM 1799 CB THR A 111 -2.071 -13.510 5.431 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.983 -14.854 5.853 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.543 -13.087 5.516 1.00 0.00 C ATOM 0 H THR A 111 -1.951 -11.316 4.246 1.00 0.00 H new ATOM 0 HA THR A 111 -0.421 -13.750 4.073 1.00 0.00 H new ATOM 0 HB THR A 111 -1.503 -12.842 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.393 -14.946 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.908 -13.242 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.634 -12.033 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.134 -13.685 4.822 1.00 0.00 H new ATOM 1809 N ASP A 112 -3.141 -13.529 2.274 1.00 0.00 N ATOM 1810 CA ASP A 112 -4.036 -14.213 1.336 1.00 0.00 C ATOM 1811 C ASP A 112 -4.533 -13.276 0.225 1.00 0.00 C ATOM 1812 O ASP A 112 -4.764 -12.084 0.450 1.00 0.00 O ATOM 1813 CB ASP A 112 -5.221 -14.816 2.113 1.00 0.00 C ATOM 1814 CG ASP A 112 -6.071 -15.736 1.224 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -7.029 -15.240 0.588 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.757 -16.946 1.129 1.00 0.00 O ATOM 0 H ASP A 112 -3.327 -12.529 2.354 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.475 -15.009 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.847 -15.379 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.844 -14.013 2.508 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.732 -13.826 -0.979 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.184 -13.084 -2.165 1.00 0.00 C ATOM 1823 C ARG A 113 -6.570 -12.452 -1.990 1.00 0.00 C ATOM 1824 O ARG A 113 -6.788 -11.346 -2.477 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.131 -14.033 -3.375 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.259 -13.274 -4.700 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.109 -14.229 -5.893 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.136 -13.496 -7.173 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.162 -13.282 -7.975 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.983 -12.555 -9.038 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.353 -13.758 -7.747 1.00 0.00 N ATOM 0 H ARG A 113 -4.581 -14.818 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.514 -12.239 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.192 -14.586 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.934 -14.766 -3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.227 -12.776 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.498 -12.496 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.172 -14.779 -5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.913 -14.965 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.245 -13.103 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -5.063 -12.163 -9.239 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.762 -12.377 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.525 -14.325 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.113 -13.564 -8.399 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.480 -13.087 -1.250 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.813 -12.547 -0.952 1.00 0.00 C ATOM 1847 C GLY A 114 -8.794 -11.326 -0.022 1.00 0.00 C ATOM 1848 O GLY A 114 -9.683 -10.478 -0.099 1.00 0.00 O ATOM 0 H GLY A 114 -7.312 -14.003 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.301 -12.272 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.418 -13.330 -0.495 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.758 -11.188 0.811 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.559 -10.032 1.698 1.00 0.00 C ATOM 1854 C ASP A 115 -6.686 -8.939 1.065 1.00 0.00 C ATOM 1855 O ASP A 115 -6.882 -7.758 1.348 1.00 0.00 O ATOM 1856 CB ASP A 115 -7.011 -10.498 3.052 1.00 0.00 C ATOM 1857 CG ASP A 115 -8.158 -10.902 3.992 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.250 -12.093 4.372 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -8.961 -10.010 4.362 1.00 0.00 O ATOM 0 H ASP A 115 -7.020 -11.887 0.891 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.531 -9.567 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.339 -11.343 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.425 -9.699 3.507 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.801 -9.293 0.131 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.213 -8.329 -0.795 1.00 0.00 C ATOM 1866 C ALA A 116 -6.248 -7.731 -1.761 1.00 0.00 C ATOM 1867 O ALA A 116 -6.200 -6.540 -2.067 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.121 -9.050 -1.561 1.00 0.00 C ATOM 0 H ALA A 116 -5.475 -10.250 -0.003 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.812 -7.487 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.655 -8.361 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.369 -9.418 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.552 -9.890 -2.106 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.248 -8.511 -2.182 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.406 -7.959 -2.891 1.00 0.00 C ATOM 1876 C PHE A 117 -9.163 -6.921 -2.047 1.00 0.00 C ATOM 1877 O PHE A 117 -9.646 -5.936 -2.600 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.314 -9.077 -3.424 1.00 0.00 C ATOM 1879 CG PHE A 117 -9.079 -9.375 -4.896 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.099 -9.138 -5.838 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.823 -9.839 -5.337 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.869 -9.370 -7.206 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -7.591 -10.068 -6.704 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.614 -9.835 -7.640 1.00 0.00 C ATOM 0 H PHE A 117 -7.279 -9.521 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.034 -7.415 -3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.145 -9.984 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.356 -8.793 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.062 -8.777 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.035 -10.019 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.656 -9.191 -7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.627 -10.423 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.437 -10.013 -8.690 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.188 -7.045 -0.715 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.781 -6.026 0.163 1.00 0.00 C ATOM 1896 C ASP A 118 -8.992 -4.695 0.162 1.00 0.00 C ATOM 1897 O ASP A 118 -9.584 -3.633 0.348 1.00 0.00 O ATOM 1898 CB ASP A 118 -9.956 -6.605 1.581 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.013 -5.855 2.410 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -12.118 -5.567 1.893 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -10.755 -5.632 3.617 1.00 0.00 O ATOM 0 H ASP A 118 -8.802 -7.847 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.764 -5.770 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -10.239 -7.655 1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.000 -6.569 2.103 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.687 -4.716 -0.148 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.880 -3.513 -0.416 1.00 0.00 C ATOM 1908 C PHE A 119 -7.274 -2.842 -1.745 1.00 0.00 C ATOM 1909 O PHE A 119 -7.586 -1.650 -1.764 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.383 -3.866 -0.324 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.413 -2.797 -0.793 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.750 -1.977 0.136 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.138 -2.643 -2.166 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.882 -0.967 -0.301 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.259 -1.638 -2.605 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.635 -0.792 -1.672 1.00 0.00 C ATOM 0 H PHE A 119 -7.153 -5.582 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.086 -2.763 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.151 -4.108 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.207 -4.769 -0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.910 -2.126 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.605 -3.300 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.402 -0.321 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.063 -1.516 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.969 -0.011 -2.008 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.320 -3.587 -2.859 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.568 -2.984 -4.180 1.00 0.00 C ATOM 1928 C ASN A 120 -9.049 -2.680 -4.479 1.00 0.00 C ATOM 1929 O ASN A 120 -9.339 -1.786 -5.278 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.873 -3.781 -5.301 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.332 -5.216 -5.510 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.599 -6.159 -5.270 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.524 -5.443 -6.015 1.00 0.00 N ATOM 0 H ASN A 120 -7.190 -4.599 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.106 -1.997 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.011 -3.241 -6.237 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.803 -3.794 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.825 -6.400 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.148 -4.663 -6.221 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.998 -3.385 -3.857 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.442 -3.121 -4.006 1.00 0.00 C ATOM 1942 C VAL A 121 -11.870 -1.912 -3.167 1.00 0.00 C ATOM 1943 O VAL A 121 -12.605 -1.056 -3.662 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.271 -4.375 -3.659 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.780 -4.103 -3.592 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.062 -5.475 -4.709 1.00 0.00 C ATOM 0 H VAL A 121 -9.790 -4.162 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.636 -2.878 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.919 -4.686 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.305 -5.025 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.981 -3.354 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.127 -3.737 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.656 -6.349 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.373 -5.108 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.008 -5.750 -4.743 1.00 0.00 H new ATOM 1956 N SER A 122 -11.385 -1.787 -1.928 1.00 0.00 N ATOM 1957 CA SER A 122 -11.754 -0.664 -1.050 1.00 0.00 C ATOM 1958 C SER A 122 -11.241 0.690 -1.558 1.00 0.00 C ATOM 1959 O SER A 122 -11.918 1.703 -1.378 1.00 0.00 O ATOM 1960 CB SER A 122 -11.272 -0.914 0.377 1.00 0.00 C ATOM 1961 OG SER A 122 -9.863 -0.932 0.440 1.00 0.00 O ATOM 0 H SER A 122 -10.734 -2.450 -1.506 1.00 0.00 H new ATOM 0 HA SER A 122 -12.843 -0.611 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.659 -0.137 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.668 -1.864 0.737 1.00 0.00 H new ATOM 0 HG SER A 122 -9.541 -1.848 0.308 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.098 0.707 -2.257 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.591 1.885 -2.960 1.00 0.00 C ATOM 1969 C LEU A 123 -10.454 2.226 -4.184 1.00 0.00 C ATOM 1970 O LEU A 123 -10.987 3.334 -4.260 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.111 1.666 -3.333 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.133 1.788 -2.146 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.735 1.326 -2.557 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.015 3.235 -1.652 1.00 0.00 C ATOM 0 H LEU A 123 -9.494 -0.110 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.652 2.748 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.003 0.677 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.830 2.391 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.531 1.161 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.057 1.418 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.775 0.285 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.374 1.945 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.317 3.278 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.651 3.867 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.993 3.589 -1.327 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.652 1.291 -5.123 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.362 1.588 -6.380 1.00 0.00 C ATOM 1988 C GLN A 124 -12.834 1.989 -6.167 1.00 0.00 C ATOM 1989 O GLN A 124 -13.352 2.861 -6.866 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.201 0.425 -7.378 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.142 -0.767 -7.163 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.749 -1.957 -8.033 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.418 -2.318 -8.992 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.641 -2.606 -7.737 1.00 0.00 N ATOM 0 H GLN A 124 -10.333 0.326 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.894 2.471 -6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.356 0.810 -8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.173 0.067 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.124 -1.061 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.165 -0.470 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.076 -2.313 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.348 -3.401 -8.305 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.499 1.417 -5.157 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.897 1.698 -4.820 1.00 0.00 C ATOM 2005 C ASP A 125 -15.058 2.956 -3.941 1.00 0.00 C ATOM 2006 O ASP A 125 -16.182 3.363 -3.643 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.517 0.445 -4.178 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.042 0.550 -3.998 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.546 0.274 -2.884 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.749 0.879 -4.981 1.00 0.00 O ATOM 0 H ASP A 125 -13.069 0.730 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.438 1.929 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.289 -0.423 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.053 0.275 -3.206 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.956 3.625 -3.574 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.999 4.988 -3.033 1.00 0.00 C ATOM 2017 C HIS A 126 -13.798 6.075 -4.104 1.00 0.00 C ATOM 2018 O HIS A 126 -14.116 7.236 -3.855 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.032 5.140 -1.849 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.407 6.306 -0.964 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.746 7.536 -0.891 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.501 6.347 -0.148 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.461 8.286 -0.032 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.512 7.594 0.437 1.00 0.00 N ATOM 0 H HIS A 126 -13.015 3.238 -3.644 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.010 5.147 -2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.031 4.223 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.018 5.279 -2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.219 5.555 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -13.223 9.303 0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -15.199 7.933 1.110 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.344 5.712 -5.311 1.00 0.00 N ATOM 2033 CA PHE A 127 -13.078 6.645 -6.418 1.00 0.00 C ATOM 2034 C PHE A 127 -14.070 6.590 -7.588 1.00 0.00 C ATOM 2035 O PHE A 127 -13.977 7.445 -8.468 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.633 6.463 -6.909 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.585 7.036 -5.977 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.670 6.187 -5.330 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.498 8.429 -5.786 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.655 6.724 -4.521 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.487 8.967 -4.972 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.561 8.114 -4.350 1.00 0.00 C ATOM 0 H PHE A 127 -13.147 4.741 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 127 -13.221 7.642 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.439 5.399 -7.046 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.531 6.934 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.748 5.117 -5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.210 9.084 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.949 6.069 -4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.422 10.035 -4.825 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.774 8.529 -3.738 1.00 0.00 H new ATOM 2052 N LYS A 128 -15.049 5.672 -7.624 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.981 5.537 -8.773 1.00 0.00 C ATOM 2054 C LYS A 128 -16.797 6.799 -9.124 1.00 0.00 C ATOM 2055 O LYS A 128 -17.220 6.967 -10.266 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.871 4.284 -8.661 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.075 4.376 -7.708 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.660 4.350 -6.236 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.863 4.307 -5.292 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.541 2.985 -5.306 1.00 0.00 N ATOM 0 H LYS A 128 -15.222 5.006 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.319 5.405 -9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -17.242 4.040 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.246 3.450 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.625 5.295 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.755 3.547 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -17.028 3.481 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -17.059 5.232 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.535 4.534 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.575 5.081 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.379 3.018 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.833 2.755 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.886 2.255 -4.959 1.00 0.00 H new