USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 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 -171:sc= 1.31 USER MOD Set 1.2: A 126 HIS : no HE2:sc= 1.04 K(o=2.4,f=-2.5!) USER MOD Set 2.1: A 9 SER OG : rot -10:sc= 0.998 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -100:sc= 1.19 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.476 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 2.5 (180deg=2.43) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180: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+ -165:sc= 0.979 (180deg=0.626) 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 40:sc= 0.95 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 2.24 (180deg=1.78) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.883 K(o=0.88,f=-0.84) USER MOD Single : A 76 GLN : amide:sc= 0.144 X(o=0.14,f=-0.17) USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.145 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= 0.773 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0.989 K(o=0.99,f=-0.065) USER MOD Single : A 103 SER OG : rot -36:sc= 0.787 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.3) USER MOD Single : A 122 SER OG : rot -82:sc= 1.27 USER MOD Single : A 124 GLN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -175:sc= 1.6 (180deg=1.56) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -11.970 9.216 6.767 1.00 0.00 N ATOM 187 CA SER A 9 -12.926 8.141 6.474 1.00 0.00 C ATOM 188 C SER A 9 -12.179 6.840 6.185 1.00 0.00 C ATOM 189 O SER A 9 -11.543 6.715 5.140 1.00 0.00 O ATOM 190 CB SER A 9 -13.818 8.514 5.289 1.00 0.00 C ATOM 191 OG SER A 9 -14.790 9.465 5.693 1.00 0.00 O ATOM 0 HA SER A 9 -13.562 7.999 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.211 8.923 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.310 7.623 4.899 1.00 0.00 H new ATOM 0 HG SER A 9 -14.778 9.550 6.669 1.00 0.00 H new ATOM 197 N VAL A 10 -12.228 5.876 7.107 1.00 0.00 N ATOM 198 CA VAL A 10 -11.632 4.530 6.937 1.00 0.00 C ATOM 199 C VAL A 10 -12.340 3.718 5.835 1.00 0.00 C ATOM 200 O VAL A 10 -13.542 3.878 5.608 1.00 0.00 O ATOM 201 CB VAL A 10 -11.572 3.796 8.294 1.00 0.00 C ATOM 202 CG1 VAL A 10 -12.948 3.381 8.830 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.664 2.565 8.244 1.00 0.00 C ATOM 0 H VAL A 10 -12.687 6.001 8.009 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.606 4.647 6.589 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.153 4.530 8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.827 2.871 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.567 4.267 8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.428 2.709 8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.653 2.081 9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.040 1.866 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.652 2.870 7.979 1.00 0.00 H new ATOM 213 N LEU A 11 -11.590 2.858 5.137 1.00 0.00 N ATOM 214 CA LEU A 11 -12.023 2.115 3.940 1.00 0.00 C ATOM 215 C LEU A 11 -11.656 0.622 4.009 1.00 0.00 C ATOM 216 O LEU A 11 -12.448 -0.223 3.590 1.00 0.00 O ATOM 217 CB LEU A 11 -11.388 2.754 2.685 1.00 0.00 C ATOM 218 CG LEU A 11 -11.835 4.192 2.357 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.043 4.718 1.159 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.322 4.273 2.006 1.00 0.00 C ATOM 0 H LEU A 11 -10.626 2.650 5.398 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.110 2.175 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.305 2.751 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.612 2.121 1.827 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.652 4.790 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.362 5.735 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.979 4.716 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.223 4.078 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.587 5.306 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.525 3.650 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.915 3.920 2.850 1.00 0.00 H new ATOM 232 N CYS A 12 -10.481 0.293 4.556 1.00 0.00 N ATOM 233 CA CYS A 12 -10.038 -1.079 4.818 1.00 0.00 C ATOM 234 C CYS A 12 -9.039 -1.110 5.979 1.00 0.00 C ATOM 235 O CYS A 12 -8.131 -0.280 6.043 1.00 0.00 O ATOM 236 CB CYS A 12 -9.395 -1.658 3.551 1.00 0.00 C ATOM 237 SG CYS A 12 -9.070 -3.433 3.748 1.00 0.00 S ATOM 0 H CYS A 12 -9.794 0.993 4.836 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.901 -1.684 5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.053 -1.497 2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.463 -1.134 3.339 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.528 -3.898 2.662 1.00 0.00 H new ATOM 243 N VAL A 13 -9.182 -2.088 6.872 1.00 0.00 N ATOM 244 CA VAL A 13 -8.225 -2.384 7.948 1.00 0.00 C ATOM 245 C VAL A 13 -7.913 -3.883 7.947 1.00 0.00 C ATOM 246 O VAL A 13 -8.829 -4.705 8.004 1.00 0.00 O ATOM 247 CB VAL A 13 -8.755 -1.907 9.317 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.811 -2.260 10.476 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.952 -0.385 9.330 1.00 0.00 C ATOM 0 H VAL A 13 -9.986 -2.715 6.871 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.300 -1.836 7.767 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.704 -2.425 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.235 -1.900 11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.685 -3.342 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.842 -1.789 10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.326 -0.075 10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.999 0.107 9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.671 -0.105 8.560 1.00 0.00 H new ATOM 259 N LYS A 14 -6.622 -4.233 7.891 1.00 0.00 N ATOM 260 CA LYS A 14 -6.106 -5.616 7.950 1.00 0.00 C ATOM 261 C LYS A 14 -4.995 -5.740 9.012 1.00 0.00 C ATOM 262 O LYS A 14 -4.129 -4.864 9.068 1.00 0.00 O ATOM 263 CB LYS A 14 -5.607 -6.098 6.569 1.00 0.00 C ATOM 264 CG LYS A 14 -6.662 -6.092 5.446 1.00 0.00 C ATOM 265 CD LYS A 14 -7.786 -7.112 5.667 1.00 0.00 C ATOM 266 CE LYS A 14 -8.764 -7.097 4.492 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.838 -8.103 4.678 1.00 0.00 N ATOM 0 H LYS A 14 -5.878 -3.541 7.800 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.933 -6.264 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.772 -5.468 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.220 -7.111 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.095 -5.095 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.172 -6.301 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.362 -8.110 5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.316 -6.883 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.204 -6.105 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.227 -7.301 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.497 -8.060 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.418 -9.053 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.353 -7.902 5.559 1.00 0.00 H new ATOM 281 N PRO A 15 -4.983 -6.799 9.844 1.00 0.00 N ATOM 282 CA PRO A 15 -4.073 -6.912 10.991 1.00 0.00 C ATOM 283 C PRO A 15 -2.651 -7.396 10.660 1.00 0.00 C ATOM 284 O PRO A 15 -1.769 -7.297 11.512 1.00 0.00 O ATOM 285 CB PRO A 15 -4.754 -7.905 11.933 1.00 0.00 C ATOM 286 CG PRO A 15 -5.518 -8.821 10.978 1.00 0.00 C ATOM 287 CD PRO A 15 -5.974 -7.867 9.882 1.00 0.00 C ATOM 0 HA PRO A 15 -3.916 -5.921 11.416 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.028 -8.459 12.528 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.423 -7.403 12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.882 -9.614 10.584 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.362 -9.304 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.035 -8.377 8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.967 -7.471 10.097 1.00 0.00 H new ATOM 295 N ASP A 16 -2.417 -7.934 9.460 1.00 0.00 N ATOM 296 CA ASP A 16 -1.132 -8.514 9.051 1.00 0.00 C ATOM 297 C ASP A 16 -0.696 -7.972 7.682 1.00 0.00 C ATOM 298 O ASP A 16 -1.227 -8.365 6.639 1.00 0.00 O ATOM 299 CB ASP A 16 -1.226 -10.049 9.038 1.00 0.00 C ATOM 300 CG ASP A 16 -1.252 -10.644 10.455 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.174 -10.728 11.092 1.00 0.00 O ATOM 302 OD2 ASP A 16 -2.337 -11.066 10.922 1.00 0.00 O ATOM 0 H ASP A 16 -3.128 -7.980 8.730 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.371 -8.223 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.126 -10.351 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.377 -10.458 8.490 1.00 0.00 H new ATOM 307 N VAL A 17 0.294 -7.077 7.699 1.00 0.00 N ATOM 308 CA VAL A 17 0.974 -6.549 6.506 1.00 0.00 C ATOM 309 C VAL A 17 2.474 -6.376 6.779 1.00 0.00 C ATOM 310 O VAL A 17 2.880 -5.962 7.870 1.00 0.00 O ATOM 311 CB VAL A 17 0.293 -5.262 5.986 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.399 -4.066 6.937 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.838 -4.835 4.621 1.00 0.00 C ATOM 0 H VAL A 17 0.658 -6.686 8.568 1.00 0.00 H new ATOM 0 HA VAL A 17 0.881 -7.275 5.698 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.758 -5.538 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.104 -3.205 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.072 -4.314 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.449 -3.826 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.331 -3.927 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.908 -4.645 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.663 -5.629 3.895 1.00 0.00 H new ATOM 323 N SER A 18 3.298 -6.711 5.787 1.00 0.00 N ATOM 324 CA SER A 18 4.762 -6.779 5.905 1.00 0.00 C ATOM 325 C SER A 18 5.437 -5.920 4.838 1.00 0.00 C ATOM 326 O SER A 18 5.144 -6.080 3.656 1.00 0.00 O ATOM 327 CB SER A 18 5.223 -8.235 5.767 1.00 0.00 C ATOM 328 OG SER A 18 4.634 -9.054 6.766 1.00 0.00 O ATOM 0 H SER A 18 2.962 -6.949 4.854 1.00 0.00 H new ATOM 0 HA SER A 18 5.047 -6.395 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.957 -8.612 4.780 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.309 -8.285 5.845 1.00 0.00 H new ATOM 0 HG SER A 18 4.942 -9.978 6.655 1.00 0.00 H new ATOM 334 N VAL A 19 6.336 -5.018 5.243 1.00 0.00 N ATOM 335 CA VAL A 19 7.067 -4.089 4.364 1.00 0.00 C ATOM 336 C VAL A 19 8.404 -4.656 3.928 1.00 0.00 C ATOM 337 O VAL A 19 9.179 -5.174 4.736 1.00 0.00 O ATOM 338 CB VAL A 19 7.247 -2.699 5.005 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.162 -1.762 4.197 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.896 -1.992 5.124 1.00 0.00 C ATOM 0 H VAL A 19 6.586 -4.908 6.226 1.00 0.00 H new ATOM 0 HA VAL A 19 6.450 -3.963 3.474 1.00 0.00 H new ATOM 0 HB VAL A 19 7.703 -2.889 5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.242 -0.802 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.152 -2.209 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.741 -1.610 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.037 -1.011 5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.459 -1.873 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.227 -2.587 5.746 1.00 0.00 H new ATOM 350 N TYR A 20 8.696 -4.455 2.648 1.00 0.00 N ATOM 351 CA TYR A 20 9.991 -4.703 2.042 1.00 0.00 C ATOM 352 C TYR A 20 10.424 -3.485 1.222 1.00 0.00 C ATOM 353 O TYR A 20 9.676 -2.964 0.390 1.00 0.00 O ATOM 354 CB TYR A 20 9.957 -5.967 1.169 1.00 0.00 C ATOM 355 CG TYR A 20 8.994 -7.050 1.616 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.722 -7.145 1.023 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.354 -7.930 2.650 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.808 -8.123 1.458 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.443 -8.907 3.096 1.00 0.00 C ATOM 360 CZ TYR A 20 7.169 -9.008 2.499 1.00 0.00 C ATOM 361 OH TYR A 20 6.305 -9.966 2.932 1.00 0.00 O ATOM 0 H TYR A 20 8.009 -4.102 1.982 1.00 0.00 H new ATOM 0 HA TYR A 20 10.721 -4.869 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.700 -5.676 0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.961 -6.390 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.446 -6.465 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.331 -7.857 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.834 -8.197 0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.720 -9.579 3.895 1.00 0.00 H new ATOM 0 HH TYR A 20 6.723 -10.482 3.652 1.00 0.00 H new ATOM 371 N ARG A 21 11.669 -3.063 1.414 1.00 0.00 N ATOM 372 CA ARG A 21 12.411 -2.263 0.427 1.00 0.00 C ATOM 373 C ARG A 21 12.543 -3.051 -0.886 1.00 0.00 C ATOM 374 O ARG A 21 12.905 -4.230 -0.870 1.00 0.00 O ATOM 375 CB ARG A 21 13.792 -1.866 0.980 1.00 0.00 C ATOM 376 CG ARG A 21 13.756 -0.857 2.146 1.00 0.00 C ATOM 377 CD ARG A 21 13.126 0.504 1.818 1.00 0.00 C ATOM 378 NE ARG A 21 13.706 1.116 0.599 1.00 0.00 N ATOM 379 CZ ARG A 21 13.081 1.392 -0.532 1.00 0.00 C ATOM 380 NH1 ARG A 21 13.725 1.865 -1.558 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.802 1.193 -0.663 1.00 0.00 N ATOM 0 H ARG A 21 12.201 -3.264 2.261 1.00 0.00 H new ATOM 0 HA ARG A 21 11.860 -1.344 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.307 -2.767 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.384 -1.442 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.205 -1.303 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.776 -0.692 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.051 0.381 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.266 1.179 2.662 1.00 0.00 H new ATOM 0 HE ARG A 21 14.698 1.350 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.730 2.029 -1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.225 2.072 -2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.262 0.817 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.339 1.413 -1.545 1.00 0.00 H new ATOM 395 N ILE A 22 12.236 -2.401 -2.010 1.00 0.00 N ATOM 396 CA ILE A 22 12.175 -3.021 -3.349 1.00 0.00 C ATOM 397 C ILE A 22 13.391 -2.653 -4.224 1.00 0.00 C ATOM 398 O ILE A 22 13.934 -1.551 -4.075 1.00 0.00 O ATOM 399 CB ILE A 22 10.837 -2.696 -4.062 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.663 -1.190 -4.364 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.658 -3.251 -3.247 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.358 -0.861 -5.097 1.00 0.00 C ATOM 0 H ILE A 22 12.017 -1.405 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 22 12.216 -4.100 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 22 10.857 -3.189 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.695 -0.634 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.505 -0.849 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.722 -3.018 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.759 -4.332 -3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.655 -2.797 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.302 0.213 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.333 -1.390 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.510 -1.172 -4.487 1.00 0.00 H new ATOM 532 N TYR A 31 7.501 -5.580 -11.074 1.00 0.00 N ATOM 533 CA TYR A 31 7.856 -6.232 -9.824 1.00 0.00 C ATOM 534 C TYR A 31 7.165 -7.598 -9.754 1.00 0.00 C ATOM 535 O TYR A 31 6.046 -7.744 -10.231 1.00 0.00 O ATOM 536 CB TYR A 31 7.404 -5.341 -8.669 1.00 0.00 C ATOM 537 CG TYR A 31 7.851 -3.893 -8.739 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.973 -2.892 -8.290 1.00 0.00 C ATOM 539 CD2 TYR A 31 9.124 -3.539 -9.229 1.00 0.00 C ATOM 540 CE1 TYR A 31 7.381 -1.546 -8.273 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.557 -2.204 -9.158 1.00 0.00 C ATOM 542 CZ TYR A 31 8.689 -1.199 -8.674 1.00 0.00 C ATOM 543 OH TYR A 31 9.106 0.094 -8.617 1.00 0.00 O ATOM 0 HA TYR A 31 8.933 -6.385 -9.761 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.315 -5.364 -8.622 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.772 -5.771 -7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.981 -3.157 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.766 -4.293 -9.659 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.693 -0.778 -7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.557 -1.945 -9.474 1.00 0.00 H new ATOM 0 HH TYR A 31 10.033 0.153 -8.929 1.00 0.00 H new ATOM 553 N ARG A 32 7.791 -8.602 -9.144 1.00 0.00 N ATOM 554 CA ARG A 32 7.329 -10.012 -9.186 1.00 0.00 C ATOM 555 C ARG A 32 7.240 -10.677 -7.819 1.00 0.00 C ATOM 556 O ARG A 32 7.198 -11.899 -7.728 1.00 0.00 O ATOM 557 CB ARG A 32 8.116 -10.848 -10.222 1.00 0.00 C ATOM 558 CG ARG A 32 9.650 -10.714 -10.170 1.00 0.00 C ATOM 559 CD ARG A 32 10.118 -9.548 -11.051 1.00 0.00 C ATOM 560 NE ARG A 32 11.561 -9.288 -10.936 1.00 0.00 N ATOM 561 CZ ARG A 32 12.227 -8.298 -11.496 1.00 0.00 C ATOM 562 NH1 ARG A 32 13.507 -8.218 -11.296 1.00 0.00 N ATOM 563 NH2 ARG A 32 11.657 -7.382 -12.231 1.00 0.00 N ATOM 0 H ARG A 32 8.643 -8.472 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 32 6.296 -9.975 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.858 -11.898 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.780 -10.565 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.972 -10.552 -9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.114 -11.641 -10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.875 -9.765 -12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.569 -8.648 -10.776 1.00 0.00 H new ATOM 0 HE ARG A 32 12.101 -9.939 -10.366 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.977 -8.913 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.043 -7.460 -11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.651 -7.412 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.218 -6.636 -12.642 1.00 0.00 H new ATOM 577 N ALA A 33 7.184 -9.856 -6.771 1.00 0.00 N ATOM 578 CA ALA A 33 7.202 -10.195 -5.347 1.00 0.00 C ATOM 579 C ALA A 33 8.448 -10.971 -4.859 1.00 0.00 C ATOM 580 O ALA A 33 9.068 -10.589 -3.869 1.00 0.00 O ATOM 581 CB ALA A 33 5.876 -10.894 -5.049 1.00 0.00 C ATOM 0 H ALA A 33 7.119 -8.847 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 33 7.296 -9.278 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.838 -11.169 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.050 -10.220 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.792 -11.792 -5.661 1.00 0.00 H new ATOM 587 N SER A 34 8.874 -12.009 -5.582 1.00 0.00 N ATOM 588 CA SER A 34 10.032 -12.864 -5.297 1.00 0.00 C ATOM 589 C SER A 34 11.386 -12.142 -5.341 1.00 0.00 C ATOM 590 O SER A 34 12.363 -12.629 -4.770 1.00 0.00 O ATOM 591 CB SER A 34 10.033 -14.026 -6.294 1.00 0.00 C ATOM 592 OG SER A 34 10.182 -13.552 -7.625 1.00 0.00 O ATOM 0 H SER A 34 8.391 -12.294 -6.434 1.00 0.00 H new ATOM 0 HA SER A 34 9.922 -13.210 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.844 -14.714 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.103 -14.587 -6.206 1.00 0.00 H new ATOM 0 HG SER A 34 10.182 -14.311 -8.245 1.00 0.00 H new ATOM 598 N ASP A 35 11.450 -10.967 -5.978 1.00 0.00 N ATOM 599 CA ASP A 35 12.639 -10.104 -5.996 1.00 0.00 C ATOM 600 C ASP A 35 12.777 -9.233 -4.726 1.00 0.00 C ATOM 601 O ASP A 35 13.809 -8.588 -4.526 1.00 0.00 O ATOM 602 CB ASP A 35 12.634 -9.251 -7.279 1.00 0.00 C ATOM 603 CG ASP A 35 13.881 -9.511 -8.137 1.00 0.00 C ATOM 604 OD1 ASP A 35 15.003 -9.133 -7.730 1.00 0.00 O ATOM 605 OD2 ASP A 35 13.732 -10.073 -9.249 1.00 0.00 O ATOM 0 H ASP A 35 10.665 -10.582 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 35 13.518 -10.748 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.739 -9.473 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.588 -8.195 -7.014 1.00 0.00 H new ATOM 610 N TRP A 36 11.756 -9.201 -3.860 1.00 0.00 N ATOM 611 CA TRP A 36 11.750 -8.478 -2.592 1.00 0.00 C ATOM 612 C TRP A 36 12.207 -9.389 -1.439 1.00 0.00 C ATOM 613 O TRP A 36 12.326 -10.611 -1.578 1.00 0.00 O ATOM 614 CB TRP A 36 10.343 -7.920 -2.325 1.00 0.00 C ATOM 615 CG TRP A 36 9.618 -7.176 -3.418 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.126 -6.703 -4.584 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.210 -6.787 -3.426 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.138 -6.051 -5.303 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.950 -6.038 -4.611 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.127 -6.988 -2.544 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.700 -5.473 -4.882 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.867 -6.412 -2.796 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.655 -5.652 -3.960 1.00 0.00 C ATOM 0 H TRP A 36 10.882 -9.697 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 36 12.454 -7.648 -2.654 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.712 -8.757 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.414 -7.251 -1.467 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.151 -6.818 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.274 -5.635 -6.224 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.267 -7.594 -1.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.540 -4.907 -5.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.060 -6.555 -2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.689 -5.206 -4.145 1.00 0.00 H new ATOM 634 N LYS A 37 12.431 -8.797 -0.263 1.00 0.00 N ATOM 635 CA LYS A 37 12.916 -9.481 0.951 1.00 0.00 C ATOM 636 C LYS A 37 11.817 -10.230 1.720 1.00 0.00 C ATOM 637 O LYS A 37 11.633 -10.020 2.916 1.00 0.00 O ATOM 638 CB LYS A 37 13.689 -8.495 1.840 1.00 0.00 C ATOM 639 CG LYS A 37 14.904 -7.871 1.137 1.00 0.00 C ATOM 640 CD LYS A 37 16.069 -7.632 2.108 1.00 0.00 C ATOM 641 CE LYS A 37 15.693 -6.876 3.391 1.00 0.00 C ATOM 642 NZ LYS A 37 15.364 -5.454 3.123 1.00 0.00 N ATOM 0 H LYS A 37 12.277 -7.799 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 37 13.601 -10.264 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.015 -7.700 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.024 -9.012 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.233 -8.527 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.613 -6.925 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.498 -8.596 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.848 -7.073 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.839 -7.363 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.520 -6.929 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.365 -4.923 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.073 -5.049 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.423 -5.392 2.685 1.00 0.00 H new ATOM 656 N LEU A 38 11.093 -11.122 1.043 1.00 0.00 N ATOM 657 CA LEU A 38 9.888 -11.801 1.547 1.00 0.00 C ATOM 658 C LEU A 38 10.057 -12.548 2.885 1.00 0.00 C ATOM 659 O LEU A 38 9.101 -12.665 3.651 1.00 0.00 O ATOM 660 CB LEU A 38 9.410 -12.797 0.479 1.00 0.00 C ATOM 661 CG LEU A 38 8.964 -12.164 -0.851 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.419 -13.270 -1.758 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.874 -11.111 -0.659 1.00 0.00 C ATOM 0 H LEU A 38 11.334 -11.405 0.093 1.00 0.00 H new ATOM 0 HA LEU A 38 9.163 -11.012 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.216 -13.502 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.579 -13.372 0.887 1.00 0.00 H new ATOM 0 HG LEU A 38 9.830 -11.670 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.098 -12.838 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.200 -14.008 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.570 -13.753 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.595 -10.695 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.001 -11.571 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.247 -10.314 -0.016 1.00 0.00 H new ATOM 675 N ASP A 39 11.261 -13.043 3.181 1.00 0.00 N ATOM 676 CA ASP A 39 11.573 -13.763 4.429 1.00 0.00 C ATOM 677 C ASP A 39 12.068 -12.823 5.553 1.00 0.00 C ATOM 678 O ASP A 39 12.223 -13.236 6.703 1.00 0.00 O ATOM 679 CB ASP A 39 12.601 -14.856 4.095 1.00 0.00 C ATOM 680 CG ASP A 39 12.861 -15.820 5.266 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.914 -16.525 5.692 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.024 -15.917 5.728 1.00 0.00 O ATOM 0 H ASP A 39 12.062 -12.956 2.555 1.00 0.00 H new ATOM 0 HA ASP A 39 10.663 -14.214 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.250 -15.426 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.540 -14.386 3.804 1.00 0.00 H new ATOM 687 N GLN A 40 12.358 -11.565 5.206 1.00 0.00 N ATOM 688 CA GLN A 40 13.181 -10.619 5.972 1.00 0.00 C ATOM 689 C GLN A 40 12.570 -9.207 5.935 1.00 0.00 C ATOM 690 O GLN A 40 13.202 -8.281 5.407 1.00 0.00 O ATOM 691 CB GLN A 40 14.601 -10.609 5.372 1.00 0.00 C ATOM 692 CG GLN A 40 15.337 -11.933 5.542 1.00 0.00 C ATOM 693 CD GLN A 40 16.437 -12.108 4.499 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.621 -11.926 4.757 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.084 -12.449 3.274 1.00 0.00 N ATOM 0 H GLN A 40 12.008 -11.157 4.339 1.00 0.00 H new ATOM 0 HA GLN A 40 13.221 -10.932 7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.538 -10.370 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.181 -9.816 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.772 -11.982 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.627 -12.756 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.101 -12.602 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.795 -12.559 2.551 1.00 0.00 H new ATOM 704 N PRO A 41 11.334 -9.009 6.431 1.00 0.00 N ATOM 705 CA PRO A 41 10.674 -7.728 6.280 1.00 0.00 C ATOM 706 C PRO A 41 11.407 -6.613 7.034 1.00 0.00 C ATOM 707 O PRO A 41 11.876 -6.795 8.160 1.00 0.00 O ATOM 708 CB PRO A 41 9.226 -7.909 6.756 1.00 0.00 C ATOM 709 CG PRO A 41 9.331 -9.112 7.698 1.00 0.00 C ATOM 710 CD PRO A 41 10.451 -9.958 7.090 1.00 0.00 C ATOM 0 HA PRO A 41 10.685 -7.412 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.855 -7.023 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.548 -8.103 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.571 -8.803 8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.393 -9.665 7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.981 -10.520 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.054 -10.684 6.381 1.00 0.00 H new ATOM 718 N ASP A 42 11.481 -5.438 6.412 1.00 0.00 N ATOM 719 CA ASP A 42 12.082 -4.238 7.004 1.00 0.00 C ATOM 720 C ASP A 42 11.212 -3.676 8.142 1.00 0.00 C ATOM 721 O ASP A 42 11.728 -3.066 9.082 1.00 0.00 O ATOM 722 CB ASP A 42 12.307 -3.195 5.903 1.00 0.00 C ATOM 723 CG ASP A 42 13.325 -3.694 4.872 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.924 -4.050 3.739 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.537 -3.759 5.184 1.00 0.00 O ATOM 0 H ASP A 42 11.121 -5.288 5.470 1.00 0.00 H new ATOM 0 HA ASP A 42 13.042 -4.502 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.361 -2.974 5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.660 -2.264 6.346 1.00 0.00 H new ATOM 730 N TRP A 43 9.898 -3.931 8.080 1.00 0.00 N ATOM 731 CA TRP A 43 8.926 -3.672 9.151 1.00 0.00 C ATOM 732 C TRP A 43 7.682 -4.566 8.996 1.00 0.00 C ATOM 733 O TRP A 43 7.339 -4.964 7.883 1.00 0.00 O ATOM 734 CB TRP A 43 8.549 -2.182 9.119 1.00 0.00 C ATOM 735 CG TRP A 43 7.407 -1.763 9.990 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.494 -1.238 11.233 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.986 -1.778 9.659 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.230 -0.901 11.679 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.268 -1.166 10.726 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.240 -2.242 8.556 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.885 -0.945 10.664 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.852 -2.009 8.480 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.175 -1.360 9.526 1.00 0.00 C ATOM 0 H TRP A 43 9.466 -4.339 7.251 1.00 0.00 H new ATOM 0 HA TRP A 43 9.371 -3.913 10.117 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.427 -1.602 9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.310 -1.913 8.090 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.409 -1.103 11.791 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.033 -0.506 12.598 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.737 -2.781 7.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.372 -0.461 11.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.303 -2.333 7.608 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.112 -1.181 9.455 1.00 0.00 H new ATOM 754 N THR A 44 6.974 -4.854 10.092 1.00 0.00 N ATOM 755 CA THR A 44 5.667 -5.542 10.082 1.00 0.00 C ATOM 756 C THR A 44 4.651 -4.857 10.992 1.00 0.00 C ATOM 757 O THR A 44 4.992 -4.363 12.071 1.00 0.00 O ATOM 758 CB THR A 44 5.767 -7.021 10.488 1.00 0.00 C ATOM 759 OG1 THR A 44 6.386 -7.167 11.752 1.00 0.00 O ATOM 760 CG2 THR A 44 6.551 -7.839 9.473 1.00 0.00 C ATOM 0 H THR A 44 7.293 -4.614 11.031 1.00 0.00 H new ATOM 0 HA THR A 44 5.328 -5.485 9.048 1.00 0.00 H new ATOM 0 HB THR A 44 4.743 -7.392 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.434 -8.118 11.985 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.597 -8.878 9.800 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.057 -7.785 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.562 -7.441 9.388 1.00 0.00 H new ATOM 768 N GLY A 45 3.383 -4.865 10.581 1.00 0.00 N ATOM 769 CA GLY A 45 2.294 -4.220 11.312 1.00 0.00 C ATOM 770 C GLY A 45 0.924 -4.409 10.669 1.00 0.00 C ATOM 771 O GLY A 45 0.613 -5.479 10.141 1.00 0.00 O ATOM 0 H GLY A 45 3.081 -5.325 9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.266 -4.616 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.504 -3.153 11.391 1.00 0.00 H new ATOM 775 N ARG A 46 0.102 -3.362 10.759 1.00 0.00 N ATOM 776 CA ARG A 46 -1.312 -3.318 10.369 1.00 0.00 C ATOM 777 C ARG A 46 -1.546 -2.300 9.248 1.00 0.00 C ATOM 778 O ARG A 46 -0.877 -1.266 9.175 1.00 0.00 O ATOM 779 CB ARG A 46 -2.173 -2.969 11.594 1.00 0.00 C ATOM 780 CG ARG A 46 -1.945 -3.876 12.822 1.00 0.00 C ATOM 781 CD ARG A 46 -2.886 -3.512 13.978 1.00 0.00 C ATOM 782 NE ARG A 46 -2.526 -2.211 14.575 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.037 -1.024 14.321 1.00 0.00 C ATOM 784 NH1 ARG A 46 -2.487 0.024 14.839 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.048 -0.802 13.536 1.00 0.00 N ATOM 0 H ARG A 46 0.423 -2.467 11.128 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.598 -4.300 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.972 -1.936 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.224 -3.023 11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.101 -4.917 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.910 -3.787 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.913 -3.476 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.844 -4.289 14.742 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.785 -2.234 15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.666 -0.074 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.873 0.949 14.650 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.507 -1.580 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.383 0.151 13.393 1.00 0.00 H new ATOM 799 N LEU A 47 -2.526 -2.590 8.398 1.00 0.00 N ATOM 800 CA LEU A 47 -2.993 -1.746 7.298 1.00 0.00 C ATOM 801 C LEU A 47 -4.159 -0.854 7.745 1.00 0.00 C ATOM 802 O LEU A 47 -5.063 -1.324 8.438 1.00 0.00 O ATOM 803 CB LEU A 47 -3.434 -2.678 6.156 1.00 0.00 C ATOM 804 CG LEU A 47 -4.032 -1.978 4.921 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.983 -1.176 4.151 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.623 -3.036 4.001 1.00 0.00 C ATOM 0 H LEU A 47 -3.045 -3.466 8.459 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.193 -1.084 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.573 -3.266 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.171 -3.379 6.547 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.797 -1.281 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.450 -0.700 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.559 -0.412 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.191 -1.844 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.051 -2.555 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.840 -3.728 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.403 -3.584 4.530 1.00 0.00 H new ATOM 818 N ARG A 48 -4.188 0.391 7.261 1.00 0.00 N ATOM 819 CA ARG A 48 -5.306 1.339 7.384 1.00 0.00 C ATOM 820 C ARG A 48 -5.437 2.151 6.097 1.00 0.00 C ATOM 821 O ARG A 48 -4.713 3.117 5.878 1.00 0.00 O ATOM 822 CB ARG A 48 -5.046 2.215 8.624 1.00 0.00 C ATOM 823 CG ARG A 48 -6.029 3.379 8.853 1.00 0.00 C ATOM 824 CD ARG A 48 -5.594 4.081 10.143 1.00 0.00 C ATOM 825 NE ARG A 48 -6.365 5.296 10.464 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.633 5.739 11.681 1.00 0.00 C ATOM 827 NH1 ARG A 48 -7.348 6.811 11.831 1.00 0.00 N ATOM 828 NH2 ARG A 48 -6.186 5.162 12.760 1.00 0.00 N ATOM 0 H ARG A 48 -3.399 0.786 6.749 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.257 0.825 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.062 1.574 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.040 2.627 8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.010 4.071 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.051 3.010 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.683 3.379 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.540 4.345 10.061 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.722 5.842 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.700 7.308 11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.558 7.157 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.601 4.330 12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.421 5.543 13.677 1.00 0.00 H new ATOM 842 N ILE A 49 -6.366 1.752 5.235 1.00 0.00 N ATOM 843 CA ILE A 49 -6.771 2.537 4.065 1.00 0.00 C ATOM 844 C ILE A 49 -7.852 3.519 4.505 1.00 0.00 C ATOM 845 O ILE A 49 -8.794 3.153 5.212 1.00 0.00 O ATOM 846 CB ILE A 49 -7.231 1.657 2.887 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.185 0.559 2.605 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.476 2.528 1.639 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.537 -0.315 1.406 1.00 0.00 C ATOM 0 H ILE A 49 -6.866 0.868 5.326 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.908 3.083 3.685 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.170 1.170 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.215 1.026 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.083 -0.072 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.801 1.896 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.248 3.266 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.553 3.038 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.760 -1.066 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.492 -0.809 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.611 0.305 0.513 1.00 0.00 H new ATOM 861 N THR A 50 -7.701 4.766 4.081 1.00 0.00 N ATOM 862 CA THR A 50 -8.450 5.934 4.551 1.00 0.00 C ATOM 863 C THR A 50 -8.644 6.942 3.411 1.00 0.00 C ATOM 864 O THR A 50 -8.017 6.807 2.363 1.00 0.00 O ATOM 865 CB THR A 50 -7.726 6.595 5.751 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.370 6.227 5.911 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.389 6.204 7.068 1.00 0.00 C ATOM 0 H THR A 50 -7.018 5.008 3.363 1.00 0.00 H new ATOM 0 HA THR A 50 -9.433 5.603 4.885 1.00 0.00 H new ATOM 0 HB THR A 50 -7.790 7.659 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.939 6.175 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.863 6.680 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.429 6.531 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.349 5.121 7.188 1.00 0.00 H new ATOM 875 N SER A 51 -9.499 7.955 3.569 1.00 0.00 N ATOM 876 CA SER A 51 -9.661 9.048 2.599 1.00 0.00 C ATOM 877 C SER A 51 -10.242 10.299 3.239 1.00 0.00 C ATOM 878 O SER A 51 -11.029 10.222 4.188 1.00 0.00 O ATOM 879 CB SER A 51 -10.562 8.589 1.445 1.00 0.00 C ATOM 880 OG SER A 51 -10.766 9.625 0.494 1.00 0.00 O ATOM 0 H SER A 51 -10.107 8.043 4.383 1.00 0.00 H new ATOM 0 HA SER A 51 -8.671 9.301 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.112 7.727 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.524 8.264 1.841 1.00 0.00 H new ATOM 0 HG SER A 51 -11.458 9.352 -0.144 1.00 0.00 H new ATOM 886 N LYS A 52 -9.882 11.457 2.678 1.00 0.00 N ATOM 887 CA LYS A 52 -10.716 12.651 2.713 1.00 0.00 C ATOM 888 C LYS A 52 -10.511 13.548 1.484 1.00 0.00 C ATOM 889 O LYS A 52 -9.384 13.846 1.097 1.00 0.00 O ATOM 890 CB LYS A 52 -10.459 13.402 4.019 1.00 0.00 C ATOM 891 CG LYS A 52 -11.574 14.391 4.368 1.00 0.00 C ATOM 892 CD LYS A 52 -12.987 13.802 4.515 1.00 0.00 C ATOM 893 CE LYS A 52 -13.065 12.659 5.533 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.476 12.273 5.789 1.00 0.00 N ATOM 0 H LYS A 52 -8.998 11.588 2.186 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.761 12.345 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.352 12.682 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.514 13.940 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.311 14.887 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.603 15.160 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.674 14.594 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.324 13.438 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.510 11.798 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.592 12.965 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.799 12.707 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.074 12.603 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.545 11.238 5.864 1.00 0.00 H new ATOM 908 N GLY A 53 -11.617 14.008 0.898 1.00 0.00 N ATOM 909 CA GLY A 53 -11.649 15.119 -0.069 1.00 0.00 C ATOM 910 C GLY A 53 -11.010 14.808 -1.428 1.00 0.00 C ATOM 911 O GLY A 53 -10.155 15.561 -1.897 1.00 0.00 O ATOM 0 H GLY A 53 -12.539 13.613 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.686 15.412 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.139 15.977 0.368 1.00 0.00 H new ATOM 915 N LYS A 54 -11.403 13.681 -2.042 1.00 0.00 N ATOM 916 CA LYS A 54 -10.857 13.142 -3.311 1.00 0.00 C ATOM 917 C LYS A 54 -9.354 12.832 -3.244 1.00 0.00 C ATOM 918 O LYS A 54 -8.658 12.821 -4.258 1.00 0.00 O ATOM 919 CB LYS A 54 -11.262 14.007 -4.524 1.00 0.00 C ATOM 920 CG LYS A 54 -12.786 14.136 -4.683 1.00 0.00 C ATOM 921 CD LYS A 54 -13.193 14.908 -5.946 1.00 0.00 C ATOM 922 CE LYS A 54 -12.739 16.374 -5.905 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.198 17.124 -7.104 1.00 0.00 N ATOM 0 H LYS A 54 -12.141 13.091 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.326 12.170 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.827 15.001 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.842 13.572 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.228 13.140 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.196 14.640 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.763 14.421 -6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.276 14.869 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.129 16.851 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.652 16.417 -5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.873 18.110 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.806 16.683 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.237 17.104 -7.149 1.00 0.00 H new ATOM 937 N THR A 55 -8.872 12.541 -2.038 1.00 0.00 N ATOM 938 CA THR A 55 -7.536 12.019 -1.748 1.00 0.00 C ATOM 939 C THR A 55 -7.690 10.812 -0.827 1.00 0.00 C ATOM 940 O THR A 55 -8.309 10.917 0.234 1.00 0.00 O ATOM 941 CB THR A 55 -6.653 13.089 -1.088 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.586 14.255 -1.889 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.220 12.600 -0.913 1.00 0.00 C ATOM 0 H THR A 55 -9.429 12.669 -1.193 1.00 0.00 H new ATOM 0 HA THR A 55 -7.047 11.727 -2.677 1.00 0.00 H new ATOM 0 HB THR A 55 -7.107 13.302 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.020 14.923 -1.448 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.623 13.382 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.213 11.711 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.797 12.357 -1.888 1.00 0.00 H new ATOM 951 N ALA A 56 -7.157 9.660 -1.225 1.00 0.00 N ATOM 952 CA ALA A 56 -7.043 8.483 -0.369 1.00 0.00 C ATOM 953 C ALA A 56 -5.677 8.456 0.333 1.00 0.00 C ATOM 954 O ALA A 56 -4.726 9.103 -0.101 1.00 0.00 O ATOM 955 CB ALA A 56 -7.335 7.211 -1.170 1.00 0.00 C ATOM 0 H ALA A 56 -6.787 9.516 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.793 8.534 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.246 6.342 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.346 7.260 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.621 7.125 -1.989 1.00 0.00 H new ATOM 961 N TYR A 57 -5.593 7.705 1.421 1.00 0.00 N ATOM 962 CA TYR A 57 -4.460 7.638 2.333 1.00 0.00 C ATOM 963 C TYR A 57 -4.244 6.171 2.736 1.00 0.00 C ATOM 964 O TYR A 57 -5.029 5.631 3.519 1.00 0.00 O ATOM 965 CB TYR A 57 -4.768 8.524 3.562 1.00 0.00 C ATOM 966 CG TYR A 57 -5.064 9.996 3.289 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.050 10.816 2.758 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.324 10.561 3.601 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.288 12.184 2.523 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.566 11.929 3.367 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.550 12.744 2.824 1.00 0.00 C ATOM 972 OH TYR A 57 -5.788 14.067 2.613 1.00 0.00 O ATOM 0 H TYR A 57 -6.356 7.092 1.707 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.547 8.004 1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.624 8.096 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.919 8.468 4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.083 10.393 2.529 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.103 9.941 4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.506 12.805 2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.530 12.354 3.603 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.708 14.280 2.874 1.00 0.00 H new ATOM 982 N ILE A 58 -3.203 5.509 2.221 1.00 0.00 N ATOM 983 CA ILE A 58 -2.769 4.194 2.722 1.00 0.00 C ATOM 984 C ILE A 58 -1.799 4.446 3.871 1.00 0.00 C ATOM 985 O ILE A 58 -0.652 4.835 3.648 1.00 0.00 O ATOM 986 CB ILE A 58 -2.160 3.288 1.620 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.163 2.887 0.512 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.629 1.984 2.247 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.366 3.946 -0.573 1.00 0.00 C ATOM 0 H ILE A 58 -2.638 5.864 1.449 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.636 3.634 3.073 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.368 3.881 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.818 1.966 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.126 2.668 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.203 1.353 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.860 2.221 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.448 1.455 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.084 3.581 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.744 4.863 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.415 4.150 -1.065 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.267 4.248 5.103 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.480 4.385 6.332 1.00 0.00 C ATOM 1003 C LYS A 59 -1.124 3.016 6.914 1.00 0.00 C ATOM 1004 O LYS A 59 -1.939 2.094 6.928 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.213 5.302 7.329 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.519 6.668 6.688 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.721 7.792 7.711 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.912 9.126 6.974 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.125 10.249 7.919 1.00 0.00 N ATOM 0 H LYS A 59 -3.235 3.979 5.281 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.529 4.864 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.141 4.830 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.601 5.442 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.701 6.938 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.416 6.580 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.591 7.580 8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.860 7.852 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.036 9.330 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.765 9.051 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.250 11.133 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.975 10.066 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.300 10.337 8.546 1.00 0.00 H new ATOM 1023 N LEU A 60 0.110 2.891 7.386 1.00 0.00 N ATOM 1024 CA LEU A 60 0.657 1.707 8.051 1.00 0.00 C ATOM 1025 C LEU A 60 0.881 2.000 9.539 1.00 0.00 C ATOM 1026 O LEU A 60 1.485 3.014 9.888 1.00 0.00 O ATOM 1027 CB LEU A 60 1.954 1.290 7.334 1.00 0.00 C ATOM 1028 CG LEU A 60 1.775 0.179 6.285 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.733 0.483 5.206 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.108 -0.052 5.581 1.00 0.00 C ATOM 0 H LEU A 60 0.792 3.646 7.314 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.045 0.875 7.993 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.383 2.166 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.675 0.955 8.080 1.00 0.00 H new ATOM 0 HG LEU A 60 1.424 -0.694 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.674 -0.354 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.240 0.636 5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.022 1.384 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.994 -0.838 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.426 0.869 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.858 -0.352 6.312 1.00 0.00 H new ATOM 1042 N GLU A 61 0.415 1.113 10.417 1.00 0.00 N ATOM 1043 CA GLU A 61 0.425 1.299 11.877 1.00 0.00 C ATOM 1044 C GLU A 61 1.011 0.086 12.609 1.00 0.00 C ATOM 1045 O GLU A 61 0.865 -1.049 12.154 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.993 1.528 12.413 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.753 2.745 11.874 1.00 0.00 C ATOM 1048 CD GLU A 61 -3.105 2.929 12.603 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.646 1.958 13.187 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.650 4.056 12.588 1.00 0.00 O ATOM 0 H GLU A 61 0.009 0.222 10.131 1.00 0.00 H new ATOM 0 HA GLU A 61 1.050 2.172 12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.584 0.638 12.199 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.935 1.618 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.145 3.641 11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.927 2.624 10.805 1.00 0.00 H new ATOM 1057 N ASP A 62 1.641 0.286 13.767 1.00 0.00 N ATOM 1058 CA ASP A 62 2.187 -0.817 14.552 1.00 0.00 C ATOM 1059 C ASP A 62 1.094 -1.611 15.290 1.00 0.00 C ATOM 1060 O ASP A 62 0.035 -1.086 15.656 1.00 0.00 O ATOM 1061 CB ASP A 62 3.251 -0.295 15.517 1.00 0.00 C ATOM 1062 CG ASP A 62 3.943 -1.464 16.219 1.00 0.00 C ATOM 1063 OD1 ASP A 62 4.581 -2.297 15.533 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.705 -1.626 17.432 1.00 0.00 O ATOM 0 H ASP A 62 1.785 1.207 14.182 1.00 0.00 H new ATOM 0 HA ASP A 62 2.655 -1.518 13.861 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.986 0.299 14.974 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.792 0.363 16.255 1.00 0.00 H new ATOM 1069 N LYS A 63 1.380 -2.891 15.536 1.00 0.00 N ATOM 1070 CA LYS A 63 0.486 -3.873 16.163 1.00 0.00 C ATOM 1071 C LYS A 63 0.639 -4.030 17.683 1.00 0.00 C ATOM 1072 O LYS A 63 -0.110 -4.794 18.291 1.00 0.00 O ATOM 1073 CB LYS A 63 0.524 -5.207 15.383 1.00 0.00 C ATOM 1074 CG LYS A 63 1.799 -6.054 15.517 1.00 0.00 C ATOM 1075 CD LYS A 63 3.014 -5.578 14.694 1.00 0.00 C ATOM 1076 CE LYS A 63 4.355 -5.785 15.410 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.396 -4.885 14.848 1.00 0.00 N ATOM 0 H LYS A 63 2.285 -3.293 15.292 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.522 -3.465 16.083 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.322 -5.814 15.707 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.372 -4.987 14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.085 -6.081 16.568 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.565 -7.077 15.224 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.032 -6.112 13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.894 -4.520 14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.237 -5.591 16.476 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.671 -6.823 15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.338 -5.226 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.325 -4.877 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.255 -3.921 15.212 1.00 0.00 H new ATOM 1091 N VAL A 64 1.562 -3.286 18.298 1.00 0.00 N ATOM 1092 CA VAL A 64 1.759 -3.211 19.756 1.00 0.00 C ATOM 1093 C VAL A 64 1.541 -1.788 20.276 1.00 0.00 C ATOM 1094 O VAL A 64 0.829 -1.604 21.265 1.00 0.00 O ATOM 1095 CB VAL A 64 3.163 -3.720 20.146 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.370 -3.721 21.667 1.00 0.00 C ATOM 1097 CG2 VAL A 64 3.409 -5.150 19.644 1.00 0.00 C ATOM 0 H VAL A 64 2.216 -2.698 17.782 1.00 0.00 H new ATOM 0 HA VAL A 64 1.015 -3.856 20.223 1.00 0.00 H new ATOM 0 HB VAL A 64 3.865 -3.032 19.676 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.371 -4.086 21.898 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.256 -2.707 22.050 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.630 -4.371 22.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.408 -5.472 19.938 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.668 -5.821 20.079 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.326 -5.174 18.557 1.00 0.00 H new ATOM 1107 N SER A 65 2.106 -0.776 19.608 1.00 0.00 N ATOM 1108 CA SER A 65 2.083 0.619 20.080 1.00 0.00 C ATOM 1109 C SER A 65 0.970 1.459 19.444 1.00 0.00 C ATOM 1110 O SER A 65 0.586 2.493 19.994 1.00 0.00 O ATOM 1111 CB SER A 65 3.443 1.279 19.831 1.00 0.00 C ATOM 1112 OG SER A 65 4.460 0.626 20.578 1.00 0.00 O ATOM 0 H SER A 65 2.595 -0.899 18.721 1.00 0.00 H new ATOM 0 HA SER A 65 1.872 0.581 21.149 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.683 1.240 18.768 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.399 2.332 20.110 1.00 0.00 H new ATOM 0 HG SER A 65 5.322 1.059 20.406 1.00 0.00 H new ATOM 1118 N GLY A 66 0.453 1.036 18.283 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.579 1.761 17.528 1.00 0.00 C ATOM 1120 C GLY A 66 -0.046 2.974 16.755 1.00 0.00 C ATOM 1121 O GLY A 66 -0.822 3.747 16.196 1.00 0.00 O ATOM 0 H GLY A 66 0.744 0.167 17.835 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.052 1.074 16.826 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.354 2.094 18.218 1.00 0.00 H new ATOM 1125 N GLU A 67 1.277 3.154 16.733 1.00 0.00 N ATOM 1126 CA GLU A 67 1.958 4.309 16.148 1.00 0.00 C ATOM 1127 C GLU A 67 2.068 4.213 14.619 1.00 0.00 C ATOM 1128 O GLU A 67 2.136 3.118 14.058 1.00 0.00 O ATOM 1129 CB GLU A 67 3.320 4.499 16.837 1.00 0.00 C ATOM 1130 CG GLU A 67 4.385 3.454 16.471 1.00 0.00 C ATOM 1131 CD GLU A 67 5.694 3.718 17.241 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.574 4.447 16.722 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.851 3.200 18.373 1.00 0.00 O ATOM 0 H GLU A 67 1.924 2.476 17.136 1.00 0.00 H new ATOM 0 HA GLU A 67 1.357 5.200 16.329 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.702 5.488 16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.170 4.480 17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.016 2.455 16.703 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.576 3.482 15.398 1.00 0.00 H new ATOM 1140 N LEU A 68 2.104 5.361 13.938 1.00 0.00 N ATOM 1141 CA LEU A 68 2.242 5.440 12.480 1.00 0.00 C ATOM 1142 C LEU A 68 3.673 5.073 12.042 1.00 0.00 C ATOM 1143 O LEU A 68 4.646 5.678 12.500 1.00 0.00 O ATOM 1144 CB LEU A 68 1.850 6.859 12.017 1.00 0.00 C ATOM 1145 CG LEU A 68 1.787 7.030 10.486 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.536 6.384 9.892 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.755 8.512 10.117 1.00 0.00 C ATOM 0 H LEU A 68 2.037 6.274 14.388 1.00 0.00 H new ATOM 0 HA LEU A 68 1.574 4.719 12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.877 7.111 12.440 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.568 7.572 12.422 1.00 0.00 H new ATOM 0 HG LEU A 68 2.676 6.544 10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.531 6.527 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.536 5.317 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.352 6.846 10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.711 8.616 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.877 8.979 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.655 9.000 10.492 1.00 0.00 H new ATOM 1159 N PHE A 69 3.797 4.121 11.115 1.00 0.00 N ATOM 1160 CA PHE A 69 5.053 3.780 10.440 1.00 0.00 C ATOM 1161 C PHE A 69 5.281 4.667 9.205 1.00 0.00 C ATOM 1162 O PHE A 69 6.310 5.340 9.104 1.00 0.00 O ATOM 1163 CB PHE A 69 5.048 2.287 10.077 1.00 0.00 C ATOM 1164 CG PHE A 69 6.167 1.872 9.137 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.498 1.833 9.596 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.890 1.572 7.788 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.543 1.498 8.716 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.937 1.259 6.904 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.263 1.215 7.368 1.00 0.00 C ATOM 0 H PHE A 69 3.009 3.552 10.805 1.00 0.00 H new ATOM 0 HA PHE A 69 5.886 3.970 11.117 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.122 1.701 10.993 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.091 2.039 9.617 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.717 2.061 10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.870 1.583 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.560 1.458 9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.722 1.052 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.065 0.964 6.690 1.00 0.00 H new ATOM 1179 N ALA A 70 4.312 4.687 8.285 1.00 0.00 N ATOM 1180 CA ALA A 70 4.364 5.441 7.032 1.00 0.00 C ATOM 1181 C ALA A 70 2.953 5.737 6.490 1.00 0.00 C ATOM 1182 O ALA A 70 1.988 5.059 6.855 1.00 0.00 O ATOM 1183 CB ALA A 70 5.181 4.628 6.017 1.00 0.00 C ATOM 0 H ALA A 70 3.444 4.163 8.396 1.00 0.00 H new ATOM 0 HA ALA A 70 4.839 6.406 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.233 5.171 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.189 4.472 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.702 3.663 5.854 1.00 0.00 H new ATOM 1189 N GLN A 71 2.831 6.728 5.600 1.00 0.00 N ATOM 1190 CA GLN A 71 1.565 7.088 4.948 1.00 0.00 C ATOM 1191 C GLN A 71 1.747 7.478 3.473 1.00 0.00 C ATOM 1192 O GLN A 71 2.665 8.225 3.137 1.00 0.00 O ATOM 1193 CB GLN A 71 0.844 8.178 5.763 1.00 0.00 C ATOM 1194 CG GLN A 71 1.573 9.531 5.888 1.00 0.00 C ATOM 1195 CD GLN A 71 1.062 10.590 4.911 1.00 0.00 C ATOM 1196 OE1 GLN A 71 -0.130 10.837 4.783 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.930 11.275 4.203 1.00 0.00 N ATOM 0 H GLN A 71 3.617 7.310 5.308 1.00 0.00 H new ATOM 0 HA GLN A 71 0.931 6.201 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.131 8.355 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.664 7.792 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.461 9.903 6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.639 9.377 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.928 11.084 4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.607 11.998 3.560 1.00 0.00 H new ATOM 1206 N ALA A 72 0.867 6.986 2.600 1.00 0.00 N ATOM 1207 CA ALA A 72 0.870 7.216 1.153 1.00 0.00 C ATOM 1208 C ALA A 72 -0.446 7.878 0.682 1.00 0.00 C ATOM 1209 O ALA A 72 -1.447 7.181 0.482 1.00 0.00 O ATOM 1210 CB ALA A 72 1.130 5.875 0.451 1.00 0.00 C ATOM 0 H ALA A 72 0.096 6.388 2.896 1.00 0.00 H new ATOM 0 HA ALA A 72 1.664 7.915 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.136 6.025 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.095 5.479 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.344 5.168 0.715 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.461 9.212 0.500 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.514 9.935 -0.209 1.00 0.00 C ATOM 1218 C PRO A 73 -1.631 9.531 -1.685 1.00 0.00 C ATOM 1219 O PRO A 73 -0.618 9.374 -2.374 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.174 11.423 -0.087 1.00 0.00 C ATOM 1221 CG PRO A 73 -0.304 11.485 1.162 1.00 0.00 C ATOM 1222 CD PRO A 73 0.447 10.157 1.124 1.00 0.00 C ATOM 0 HA PRO A 73 -2.481 9.697 0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.642 11.787 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.071 12.033 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.378 12.335 1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.904 11.584 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.372 10.246 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.721 9.833 2.128 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.867 9.428 -2.175 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.235 9.028 -3.543 1.00 0.00 C ATOM 1232 C VAL A 74 -4.340 9.954 -4.059 1.00 0.00 C ATOM 1233 O VAL A 74 -5.375 10.086 -3.409 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.753 7.569 -3.579 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.830 7.038 -5.016 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.928 6.582 -2.749 1.00 0.00 C ATOM 0 H VAL A 74 -3.686 9.631 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.347 9.100 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.745 7.628 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.197 6.012 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.510 7.661 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.838 7.064 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.362 5.585 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.903 6.563 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.931 6.893 -1.704 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.168 10.584 -5.225 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.173 11.526 -5.766 1.00 0.00 C ATOM 1248 C GLU A 75 -6.273 10.834 -6.594 1.00 0.00 C ATOM 1249 O GLU A 75 -7.387 11.345 -6.703 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.475 12.610 -6.603 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.565 13.509 -5.756 1.00 0.00 C ATOM 1252 CD GLU A 75 -2.958 14.638 -6.610 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -3.562 15.737 -6.693 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -1.867 14.441 -7.201 1.00 0.00 O ATOM 0 H GLU A 75 -3.346 10.464 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.674 11.980 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.884 12.136 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.228 13.223 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.136 13.938 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.767 12.912 -5.315 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.968 9.669 -7.175 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.900 8.789 -7.890 1.00 0.00 C ATOM 1263 C GLN A 76 -6.315 7.375 -8.033 1.00 0.00 C ATOM 1264 O GLN A 76 -5.094 7.225 -8.135 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.285 9.376 -9.267 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.226 9.327 -10.386 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.958 10.131 -10.099 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.843 11.305 -10.424 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.955 9.532 -9.491 1.00 0.00 N ATOM 0 H GLN A 76 -5.019 9.296 -7.159 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.813 8.718 -7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.172 8.849 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.570 10.418 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.949 8.287 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.674 9.697 -11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.037 8.554 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.096 10.046 -9.297 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.170 6.353 -8.098 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.783 4.954 -8.308 1.00 0.00 C ATOM 1280 C TYR A 77 -7.475 4.365 -9.558 1.00 0.00 C ATOM 1281 O TYR A 77 -8.702 4.475 -9.659 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.123 4.135 -7.058 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.604 2.715 -7.106 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -5.220 2.479 -7.026 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -7.497 1.637 -7.258 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -4.725 1.166 -7.131 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -7.006 0.318 -7.322 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.618 0.079 -7.265 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.148 -1.196 -7.348 1.00 0.00 O ATOM 0 H TYR A 77 -8.178 6.477 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.708 4.910 -8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.709 4.635 -6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.205 4.113 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.538 3.304 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.559 1.821 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.660 0.989 -7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.693 -0.510 -7.415 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.307 -1.268 -6.850 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.745 3.720 -10.492 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.283 3.595 -10.545 1.00 0.00 C ATOM 1301 C PRO A 78 -4.551 4.940 -10.698 1.00 0.00 C ATOM 1302 O PRO A 78 -5.061 5.875 -11.319 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.984 2.661 -11.727 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.281 1.871 -11.895 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.338 2.915 -11.548 1.00 0.00 C ATOM 0 HA PRO A 78 -4.914 3.197 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.736 3.221 -12.628 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.139 2.005 -11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.399 1.493 -12.910 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.323 1.010 -11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.588 3.526 -12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.262 2.444 -11.213 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.349 5.030 -10.126 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.479 6.213 -10.152 1.00 0.00 C ATOM 1315 C GLY A 79 -1.013 5.877 -9.846 1.00 0.00 C ATOM 1316 O GLY A 79 -0.615 4.713 -9.883 1.00 0.00 O ATOM 0 H GLY A 79 -2.937 4.252 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.542 6.684 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.840 6.941 -9.425 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.201 6.891 -9.529 1.00 0.00 N ATOM 1321 CA ILE A 80 1.241 6.719 -9.255 1.00 0.00 C ATOM 1322 C ILE A 80 1.525 6.100 -7.877 1.00 0.00 C ATOM 1323 O ILE A 80 2.425 5.275 -7.741 1.00 0.00 O ATOM 1324 CB ILE A 80 1.998 8.058 -9.454 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.516 7.847 -9.241 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.461 9.184 -8.546 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.403 9.044 -9.601 1.00 0.00 C ATOM 0 H ILE A 80 -0.519 7.857 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 80 1.619 6.000 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 80 1.824 8.382 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.687 7.591 -8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.833 6.990 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.027 10.098 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.408 9.359 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.568 8.891 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.447 8.792 -9.415 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.271 9.291 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.122 9.902 -8.990 1.00 0.00 H new ATOM 1339 N ALA A 81 0.759 6.470 -6.848 1.00 0.00 N ATOM 1340 CA ALA A 81 1.070 6.176 -5.444 1.00 0.00 C ATOM 1341 C ALA A 81 0.665 4.768 -4.985 1.00 0.00 C ATOM 1342 O ALA A 81 0.805 4.459 -3.803 1.00 0.00 O ATOM 1343 CB ALA A 81 0.486 7.303 -4.586 1.00 0.00 C ATOM 0 H ALA A 81 -0.110 6.991 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 81 2.153 6.152 -5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.703 7.110 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.932 8.253 -4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.593 7.349 -4.731 1.00 0.00 H new ATOM 1349 N VAL A 82 0.207 3.919 -5.908 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.192 2.525 -5.676 1.00 0.00 C ATOM 1351 C VAL A 82 0.084 1.695 -6.939 1.00 0.00 C ATOM 1352 O VAL A 82 -0.291 2.089 -8.042 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.686 2.421 -5.311 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.043 0.982 -4.909 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.147 3.337 -4.172 1.00 0.00 C ATOM 0 H VAL A 82 0.098 4.196 -6.884 1.00 0.00 H new ATOM 0 HA VAL A 82 0.391 2.140 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.200 2.741 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.101 0.927 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.835 0.309 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.447 0.687 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.212 3.188 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.590 3.099 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.967 4.377 -4.446 1.00 0.00 H new ATOM 1365 N GLU A 83 0.721 0.537 -6.781 1.00 0.00 N ATOM 1366 CA GLU A 83 1.133 -0.378 -7.858 1.00 0.00 C ATOM 1367 C GLU A 83 1.011 -1.854 -7.437 1.00 0.00 C ATOM 1368 O GLU A 83 0.977 -2.165 -6.248 1.00 0.00 O ATOM 1369 CB GLU A 83 2.588 -0.060 -8.270 1.00 0.00 C ATOM 1370 CG GLU A 83 2.698 0.456 -9.709 1.00 0.00 C ATOM 1371 CD GLU A 83 2.581 -0.679 -10.744 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.591 -0.980 -11.427 1.00 0.00 O ATOM 1373 OE2 GLU A 83 1.481 -1.267 -10.875 1.00 0.00 O ATOM 0 H GLU A 83 0.979 0.189 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 83 0.464 -0.227 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.999 0.685 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.196 -0.959 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.915 1.193 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.652 0.967 -9.838 1.00 0.00 H new ATOM 1380 N THR A 84 0.982 -2.775 -8.401 1.00 0.00 N ATOM 1381 CA THR A 84 0.913 -4.238 -8.188 1.00 0.00 C ATOM 1382 C THR A 84 2.229 -4.922 -8.577 1.00 0.00 C ATOM 1383 O THR A 84 3.072 -4.348 -9.275 1.00 0.00 O ATOM 1384 CB THR A 84 -0.264 -4.872 -8.967 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.014 -4.945 -10.357 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.576 -4.101 -8.803 1.00 0.00 C ATOM 0 H THR A 84 1.006 -2.524 -9.389 1.00 0.00 H new ATOM 0 HA THR A 84 0.743 -4.395 -7.123 1.00 0.00 H new ATOM 0 HB THR A 84 -0.357 -5.869 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.516 -5.746 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.362 -4.596 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.853 -4.075 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.448 -3.083 -9.170 1.00 0.00 H new ATOM 1394 N VAL A 85 2.401 -6.179 -8.162 1.00 0.00 N ATOM 1395 CA VAL A 85 3.364 -7.110 -8.771 1.00 0.00 C ATOM 1396 C VAL A 85 2.723 -7.843 -9.968 1.00 0.00 C ATOM 1397 O VAL A 85 1.537 -7.664 -10.260 1.00 0.00 O ATOM 1398 CB VAL A 85 3.892 -8.113 -7.732 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.522 -7.384 -6.545 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.796 -9.056 -7.246 1.00 0.00 C ATOM 0 H VAL A 85 1.874 -6.586 -7.389 1.00 0.00 H new ATOM 0 HA VAL A 85 4.213 -6.532 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 85 4.656 -8.714 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.888 -8.114 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.352 -6.770 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.775 -6.748 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.210 -9.749 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.995 -8.477 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.398 -9.617 -8.091 1.00 0.00 H new ATOM 1410 N THR A 86 3.483 -8.716 -10.629 1.00 0.00 N ATOM 1411 CA THR A 86 3.046 -9.546 -11.767 1.00 0.00 C ATOM 1412 C THR A 86 2.731 -10.996 -11.382 1.00 0.00 C ATOM 1413 O THR A 86 1.880 -11.630 -12.008 1.00 0.00 O ATOM 1414 CB THR A 86 4.127 -9.557 -12.859 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.308 -10.168 -12.380 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.502 -8.142 -13.290 1.00 0.00 C ATOM 0 H THR A 86 4.460 -8.876 -10.382 1.00 0.00 H new ATOM 0 HA THR A 86 2.123 -9.093 -12.130 1.00 0.00 H new ATOM 0 HB THR A 86 3.712 -10.109 -13.702 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.986 -10.169 -13.087 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.269 -8.188 -14.063 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.620 -7.636 -13.683 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.885 -7.590 -12.432 1.00 0.00 H new ATOM 1424 N ASP A 87 3.404 -11.531 -10.357 1.00 0.00 N ATOM 1425 CA ASP A 87 3.404 -12.966 -10.043 1.00 0.00 C ATOM 1426 C ASP A 87 2.285 -13.383 -9.075 1.00 0.00 C ATOM 1427 O ASP A 87 1.639 -14.411 -9.294 1.00 0.00 O ATOM 1428 CB ASP A 87 4.776 -13.351 -9.478 1.00 0.00 C ATOM 1429 CG ASP A 87 4.901 -14.870 -9.275 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.120 -15.596 -10.275 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.781 -15.343 -8.121 1.00 0.00 O ATOM 0 H ASP A 87 3.970 -10.975 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 87 3.206 -13.503 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.558 -13.009 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.934 -12.842 -8.527 1.00 0.00 H new ATOM 1436 N SER A 88 2.042 -12.591 -8.019 1.00 0.00 N ATOM 1437 CA SER A 88 1.046 -12.935 -6.981 1.00 0.00 C ATOM 1438 C SER A 88 0.273 -11.731 -6.432 1.00 0.00 C ATOM 1439 O SER A 88 0.859 -10.780 -5.926 1.00 0.00 O ATOM 1440 CB SER A 88 1.733 -13.700 -5.846 1.00 0.00 C ATOM 1441 OG SER A 88 0.774 -14.098 -4.882 1.00 0.00 O ATOM 0 H SER A 88 2.521 -11.705 -7.857 1.00 0.00 H new ATOM 0 HA SER A 88 0.297 -13.564 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.246 -14.576 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.491 -13.071 -5.379 1.00 0.00 H new ATOM 0 HG SER A 88 1.220 -14.588 -4.160 1.00 0.00 H new ATOM 1447 N SER A 89 -1.064 -11.772 -6.479 1.00 0.00 N ATOM 1448 CA SER A 89 -1.935 -10.616 -6.179 1.00 0.00 C ATOM 1449 C SER A 89 -1.953 -10.172 -4.703 1.00 0.00 C ATOM 1450 O SER A 89 -2.581 -9.164 -4.382 1.00 0.00 O ATOM 1451 CB SER A 89 -3.377 -10.869 -6.647 1.00 0.00 C ATOM 1452 OG SER A 89 -3.436 -11.690 -7.809 1.00 0.00 O ATOM 0 H SER A 89 -1.582 -12.614 -6.728 1.00 0.00 H new ATOM 0 HA SER A 89 -1.486 -9.796 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.939 -11.343 -5.842 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.861 -9.915 -6.855 1.00 0.00 H new ATOM 0 HG SER A 89 -3.728 -11.153 -8.575 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.263 -10.889 -3.801 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.083 -10.535 -2.378 1.00 0.00 C ATOM 1460 C ARG A 90 0.109 -9.606 -2.095 1.00 0.00 C ATOM 1461 O ARG A 90 0.586 -9.559 -0.961 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.202 -11.770 -1.459 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.369 -12.986 -1.881 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.412 -14.109 -0.833 1.00 0.00 C ATOM 1465 NE ARG A 90 0.421 -13.800 0.347 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.509 -14.424 0.763 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.107 -14.001 1.836 1.00 0.00 N ATOM 1468 NH2 ARG A 90 2.019 -15.455 0.150 1.00 0.00 N ATOM 0 H ARG A 90 -0.798 -11.762 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.926 -9.898 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.907 -11.481 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.250 -12.067 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.739 -13.365 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.665 -12.679 -2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.443 -14.270 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.069 -15.039 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 90 0.119 -13.006 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.736 -13.198 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.948 -14.472 2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.576 -15.817 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.862 -15.900 0.514 1.00 0.00 H new ATOM 1482 N TYR A 91 0.566 -8.846 -3.097 1.00 0.00 N ATOM 1483 CA TYR A 91 1.692 -7.922 -2.991 1.00 0.00 C ATOM 1484 C TYR A 91 1.450 -6.635 -3.799 1.00 0.00 C ATOM 1485 O TYR A 91 1.062 -6.689 -4.971 1.00 0.00 O ATOM 1486 CB TYR A 91 2.965 -8.628 -3.469 1.00 0.00 C ATOM 1487 CG TYR A 91 3.360 -9.851 -2.667 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.994 -11.138 -3.109 1.00 0.00 C ATOM 1489 CD2 TYR A 91 4.089 -9.700 -1.474 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.375 -12.276 -2.373 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.444 -10.833 -0.718 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.104 -12.124 -1.173 1.00 0.00 C ATOM 1493 OH TYR A 91 4.486 -13.216 -0.456 1.00 0.00 O ATOM 0 H TYR A 91 0.149 -8.860 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 91 1.804 -7.627 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.830 -8.923 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.789 -7.915 -3.444 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.419 -11.252 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.376 -8.715 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.111 -13.262 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.978 -10.713 0.213 1.00 0.00 H new ATOM 0 HH TYR A 91 4.980 -12.928 0.340 1.00 0.00 H new ATOM 1503 N PHE A 92 1.717 -5.480 -3.185 1.00 0.00 N ATOM 1504 CA PHE A 92 1.568 -4.146 -3.781 1.00 0.00 C ATOM 1505 C PHE A 92 2.768 -3.249 -3.462 1.00 0.00 C ATOM 1506 O PHE A 92 3.517 -3.518 -2.528 1.00 0.00 O ATOM 1507 CB PHE A 92 0.276 -3.488 -3.272 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.982 -4.249 -3.631 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.580 -5.096 -2.686 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.548 -4.121 -4.913 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.743 -5.806 -3.016 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.696 -4.857 -5.253 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.293 -5.703 -4.305 1.00 0.00 C ATOM 0 H PHE A 92 2.056 -5.444 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 92 1.518 -4.267 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.333 -3.390 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.208 -2.480 -3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.144 -5.201 -1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.100 -3.456 -5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.218 -6.434 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.119 -4.772 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.172 -6.273 -4.566 1.00 0.00 H new ATOM 1523 N VAL A 93 2.935 -2.159 -4.207 1.00 0.00 N ATOM 1524 CA VAL A 93 3.874 -1.068 -3.903 1.00 0.00 C ATOM 1525 C VAL A 93 3.087 0.215 -3.672 1.00 0.00 C ATOM 1526 O VAL A 93 2.102 0.444 -4.369 1.00 0.00 O ATOM 1527 CB VAL A 93 4.921 -0.916 -5.024 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.776 0.352 -4.918 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.856 -2.126 -5.001 1.00 0.00 C ATOM 0 H VAL A 93 2.408 -2.000 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 93 4.427 -1.300 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 93 4.359 -0.844 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.486 0.382 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.132 1.230 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.319 0.347 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.600 -2.026 -5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.358 -2.180 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.277 -3.036 -5.160 1.00 0.00 H new ATOM 1539 N ILE A 94 3.505 1.067 -2.731 1.00 0.00 N ATOM 1540 CA ILE A 94 2.895 2.388 -2.533 1.00 0.00 C ATOM 1541 C ILE A 94 3.939 3.495 -2.362 1.00 0.00 C ATOM 1542 O ILE A 94 5.025 3.265 -1.821 1.00 0.00 O ATOM 1543 CB ILE A 94 1.837 2.421 -1.405 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.369 2.142 0.022 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.617 1.541 -1.718 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.597 0.671 0.407 1.00 0.00 C ATOM 0 H ILE A 94 4.271 0.864 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 94 2.354 2.591 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 94 1.522 3.464 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.313 2.674 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.667 2.574 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.095 1.600 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.142 1.891 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.938 0.507 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.970 0.616 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.656 0.126 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.327 0.227 -0.269 1.00 0.00 H new ATOM 1558 N ARG A 95 3.595 4.710 -2.810 1.00 0.00 N ATOM 1559 CA ARG A 95 4.431 5.917 -2.654 1.00 0.00 C ATOM 1560 C ARG A 95 4.163 6.580 -1.303 1.00 0.00 C ATOM 1561 O ARG A 95 3.352 7.505 -1.210 1.00 0.00 O ATOM 1562 CB ARG A 95 4.215 6.885 -3.833 1.00 0.00 C ATOM 1563 CG ARG A 95 5.217 8.050 -3.822 1.00 0.00 C ATOM 1564 CD ARG A 95 4.864 9.120 -4.862 1.00 0.00 C ATOM 1565 NE ARG A 95 5.752 10.288 -4.704 1.00 0.00 N ATOM 1566 CZ ARG A 95 5.436 11.568 -4.641 1.00 0.00 C ATOM 1567 NH1 ARG A 95 6.358 12.423 -4.312 1.00 0.00 N ATOM 1568 NH2 ARG A 95 4.235 12.015 -4.872 1.00 0.00 N ATOM 0 H ARG A 95 2.717 4.889 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 95 5.481 5.626 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.308 6.338 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.200 7.281 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.238 8.501 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.219 7.669 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.964 8.710 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.824 9.425 -4.744 1.00 0.00 H new ATOM 0 HE ARG A 95 6.747 10.077 -4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.304 12.100 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.136 13.417 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.487 11.365 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.042 13.015 -4.810 1.00 0.00 H new ATOM 1582 N ILE A 96 4.838 6.129 -0.252 1.00 0.00 N ATOM 1583 CA ILE A 96 4.778 6.805 1.055 1.00 0.00 C ATOM 1584 C ILE A 96 5.480 8.167 0.986 1.00 0.00 C ATOM 1585 O ILE A 96 6.499 8.317 0.313 1.00 0.00 O ATOM 1586 CB ILE A 96 5.230 5.924 2.241 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.731 5.554 2.251 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.371 4.653 2.316 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.568 6.480 3.140 1.00 0.00 C ATOM 0 H ILE A 96 5.434 5.301 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 96 3.727 6.993 1.274 1.00 0.00 H new ATOM 0 HB ILE A 96 5.082 6.542 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.844 4.527 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.116 5.592 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.700 4.041 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.325 4.928 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.477 4.087 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.613 6.170 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.482 7.505 2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.206 6.424 4.167 1.00 0.00 H new ATOM 1601 N GLN A 97 4.903 9.174 1.642 1.00 0.00 N ATOM 1602 CA GLN A 97 5.295 10.586 1.560 1.00 0.00 C ATOM 1603 C GLN A 97 5.437 11.201 2.957 1.00 0.00 C ATOM 1604 O GLN A 97 4.748 10.809 3.900 1.00 0.00 O ATOM 1605 CB GLN A 97 4.259 11.365 0.728 1.00 0.00 C ATOM 1606 CG GLN A 97 4.355 11.090 -0.783 1.00 0.00 C ATOM 1607 CD GLN A 97 3.007 11.208 -1.491 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.491 12.287 -1.741 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.388 10.096 -1.819 1.00 0.00 N ATOM 0 H GLN A 97 4.116 9.024 2.273 1.00 0.00 H new ATOM 0 HA GLN A 97 6.267 10.649 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.258 11.106 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.391 12.432 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.059 11.791 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.757 10.089 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.816 9.194 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.479 10.135 -2.281 1.00 0.00 H new ATOM 1682 N SER A 103 9.320 11.554 -0.870 1.00 0.00 N ATOM 1683 CA SER A 103 8.705 10.222 -0.894 1.00 0.00 C ATOM 1684 C SER A 103 9.688 9.053 -1.017 1.00 0.00 C ATOM 1685 O SER A 103 10.848 9.227 -1.400 1.00 0.00 O ATOM 1686 CB SER A 103 7.718 10.157 -2.065 1.00 0.00 C ATOM 1687 OG SER A 103 8.315 10.525 -3.303 1.00 0.00 O ATOM 0 HA SER A 103 8.218 10.102 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.320 9.146 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.875 10.817 -1.862 1.00 0.00 H new ATOM 0 HG SER A 103 8.961 11.246 -3.153 1.00 0.00 H new ATOM 1693 N ALA A 104 9.181 7.845 -0.762 1.00 0.00 N ATOM 1694 CA ALA A 104 9.787 6.568 -1.142 1.00 0.00 C ATOM 1695 C ALA A 104 8.719 5.601 -1.686 1.00 0.00 C ATOM 1696 O ALA A 104 7.562 5.639 -1.267 1.00 0.00 O ATOM 1697 CB ALA A 104 10.517 5.979 0.073 1.00 0.00 C ATOM 0 H ALA A 104 8.299 7.725 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 104 10.511 6.727 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.971 5.027 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.293 6.670 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.805 5.821 0.883 1.00 0.00 H new ATOM 1703 N PHE A 105 9.105 4.707 -2.598 1.00 0.00 N ATOM 1704 CA PHE A 105 8.260 3.595 -3.051 1.00 0.00 C ATOM 1705 C PHE A 105 8.602 2.338 -2.247 1.00 0.00 C ATOM 1706 O PHE A 105 9.714 1.816 -2.368 1.00 0.00 O ATOM 1707 CB PHE A 105 8.437 3.384 -4.561 1.00 0.00 C ATOM 1708 CG PHE A 105 7.718 4.412 -5.415 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.412 4.150 -5.867 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.344 5.622 -5.772 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.744 5.072 -6.687 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.671 6.554 -6.582 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.375 6.276 -7.045 1.00 0.00 C ATOM 0 H PHE A 105 10.020 4.733 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 105 7.209 3.826 -2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.500 3.408 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.074 2.390 -4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.920 3.232 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.344 5.835 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.747 4.857 -7.042 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.151 7.484 -6.848 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.863 6.987 -7.676 1.00 0.00 H new ATOM 1723 N ILE A 106 7.670 1.860 -1.418 1.00 0.00 N ATOM 1724 CA ILE A 106 7.838 0.666 -0.566 1.00 0.00 C ATOM 1725 C ILE A 106 6.924 -0.470 -1.024 1.00 0.00 C ATOM 1726 O ILE A 106 5.810 -0.218 -1.480 1.00 0.00 O ATOM 1727 CB ILE A 106 7.653 0.972 0.941 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.201 1.336 1.329 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.636 2.076 1.361 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.968 1.444 2.843 1.00 0.00 C ATOM 0 H ILE A 106 6.755 2.298 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 106 8.871 0.339 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 106 7.871 0.054 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.938 2.285 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.527 0.583 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.508 2.293 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.658 1.742 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.441 2.977 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.926 1.702 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.197 0.489 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.615 2.218 3.256 1.00 0.00 H new ATOM 1742 N GLY A 107 7.380 -1.713 -0.882 1.00 0.00 N ATOM 1743 CA GLY A 107 6.587 -2.910 -1.157 1.00 0.00 C ATOM 1744 C GLY A 107 5.889 -3.395 0.107 1.00 0.00 C ATOM 1745 O GLY A 107 6.470 -3.331 1.191 1.00 0.00 O ATOM 0 H GLY A 107 8.328 -1.920 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.847 -2.693 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.231 -3.698 -1.548 1.00 0.00 H new ATOM 1749 N ILE A 108 4.662 -3.894 -0.029 1.00 0.00 N ATOM 1750 CA ILE A 108 3.895 -4.548 1.033 1.00 0.00 C ATOM 1751 C ILE A 108 3.363 -5.909 0.585 1.00 0.00 C ATOM 1752 O ILE A 108 2.896 -6.067 -0.543 1.00 0.00 O ATOM 1753 CB ILE A 108 2.760 -3.667 1.597 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.762 -3.148 0.537 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.361 -2.523 2.423 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.499 -2.523 1.152 1.00 0.00 C ATOM 0 H ILE A 108 4.155 -3.853 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 108 4.597 -4.707 1.852 1.00 0.00 H new ATOM 0 HB ILE A 108 2.156 -4.308 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.259 -2.407 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.472 -3.972 -0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.559 -1.901 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.943 -2.936 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.009 -1.918 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.161 -2.178 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.019 -3.268 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.780 -1.679 1.781 1.00 0.00 H new ATOM 1768 N GLY A 109 3.416 -6.885 1.490 1.00 0.00 N ATOM 1769 CA GLY A 109 2.859 -8.229 1.330 1.00 0.00 C ATOM 1770 C GLY A 109 1.778 -8.542 2.362 1.00 0.00 C ATOM 1771 O GLY A 109 1.866 -8.119 3.518 1.00 0.00 O ATOM 0 H GLY A 109 3.868 -6.756 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.440 -8.328 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.660 -8.963 1.414 1.00 0.00 H new ATOM 1775 N PHE A 110 0.762 -9.287 1.929 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.425 -9.654 2.707 1.00 0.00 C ATOM 1777 C PHE A 110 -0.380 -11.118 3.158 1.00 0.00 C ATOM 1778 O PHE A 110 0.325 -11.945 2.574 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.682 -9.382 1.867 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.061 -7.920 1.754 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.240 -7.018 1.048 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.246 -7.459 2.360 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.576 -5.657 0.993 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.603 -6.105 2.265 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.758 -5.203 1.596 1.00 0.00 C ATOM 0 H PHE A 110 0.741 -9.670 0.984 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.449 -9.045 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.527 -9.782 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.519 -9.928 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.351 -7.375 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.880 -8.148 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.925 -4.960 0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.526 -5.757 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.020 -4.156 1.546 1.00 0.00 H new ATOM 1795 N THR A 111 -1.182 -11.461 4.166 1.00 0.00 N ATOM 1796 CA THR A 111 -1.289 -12.833 4.693 1.00 0.00 C ATOM 1797 C THR A 111 -2.041 -13.783 3.749 1.00 0.00 C ATOM 1798 O THR A 111 -1.760 -14.982 3.720 1.00 0.00 O ATOM 1799 CB THR A 111 -1.916 -12.800 6.099 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.782 -14.053 6.734 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.397 -12.408 6.126 1.00 0.00 C ATOM 0 H THR A 111 -1.783 -10.793 4.648 1.00 0.00 H new ATOM 0 HA THR A 111 -0.281 -13.241 4.765 1.00 0.00 H new ATOM 0 HB THR A 111 -1.364 -12.023 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.185 -14.012 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.755 -12.411 7.155 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.517 -11.411 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.973 -13.123 5.539 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.958 -13.255 2.926 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.770 -14.037 1.987 1.00 0.00 C ATOM 1811 C ASP A 112 -4.274 -13.186 0.807 1.00 0.00 C ATOM 1812 O ASP A 112 -4.515 -11.983 0.947 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.955 -14.671 2.737 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.679 -15.717 1.876 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.670 -15.356 1.200 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.233 -16.886 1.840 1.00 0.00 O ATOM 0 H ASP A 112 -3.159 -12.255 2.895 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.138 -14.820 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.597 -15.139 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.658 -13.892 3.031 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.477 -13.816 -0.356 1.00 0.00 N ATOM 1822 CA ARG A 113 -4.987 -13.170 -1.579 1.00 0.00 C ATOM 1823 C ARG A 113 -6.400 -12.598 -1.413 1.00 0.00 C ATOM 1824 O ARG A 113 -6.677 -11.525 -1.945 1.00 0.00 O ATOM 1825 CB ARG A 113 -4.900 -14.188 -2.729 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.155 -13.539 -4.095 1.00 0.00 C ATOM 1827 CD ARG A 113 -4.879 -14.535 -5.230 1.00 0.00 C ATOM 1828 NE ARG A 113 -4.968 -13.885 -6.551 1.00 0.00 N ATOM 1829 CZ ARG A 113 -5.880 -14.048 -7.492 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.765 -13.369 -8.594 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -6.896 -14.854 -7.369 1.00 0.00 N ATOM 0 H ARG A 113 -4.288 -14.811 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.368 -12.302 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -3.914 -14.653 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.627 -14.983 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.187 -13.193 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.518 -12.662 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.887 -14.968 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.595 -15.356 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.225 -13.220 -6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.982 -12.727 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.457 -13.478 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.016 -15.397 -6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.572 -14.942 -8.128 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.267 -13.244 -0.634 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.618 -12.752 -0.332 1.00 0.00 C ATOM 1847 C GLY A 114 -8.634 -11.489 0.541 1.00 0.00 C ATOM 1848 O GLY A 114 -9.550 -10.674 0.428 1.00 0.00 O ATOM 0 H GLY A 114 -7.052 -14.135 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.137 -12.543 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.177 -13.539 0.173 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.598 -11.280 1.361 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.413 -10.059 2.159 1.00 0.00 C ATOM 1854 C ASP A 115 -6.707 -8.955 1.358 1.00 0.00 C ATOM 1855 O ASP A 115 -7.030 -7.777 1.514 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.655 -10.391 3.453 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.549 -11.140 4.454 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.551 -10.542 4.911 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.248 -12.307 4.795 1.00 0.00 O ATOM 0 H ASP A 115 -6.852 -11.964 1.492 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.396 -9.669 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.781 -10.999 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.290 -9.470 3.908 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.804 -9.323 0.446 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.203 -8.399 -0.512 1.00 0.00 C ATOM 1866 C ALA A 116 -6.204 -7.869 -1.554 1.00 0.00 C ATOM 1867 O ALA A 116 -6.107 -6.716 -1.968 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.061 -9.130 -1.196 1.00 0.00 C ATOM 0 H ALA A 116 -5.468 -10.281 0.353 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.849 -7.520 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.587 -8.468 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.327 -9.437 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.448 -10.011 -1.708 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.203 -8.669 -1.940 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.299 -8.207 -2.799 1.00 0.00 C ATOM 1876 C PHE A 117 -9.051 -7.011 -2.185 1.00 0.00 C ATOM 1877 O PHE A 117 -9.404 -6.077 -2.903 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.249 -9.373 -3.125 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.972 -10.073 -4.449 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.658 -10.405 -4.840 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -10.045 -10.382 -5.310 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.421 -11.028 -6.078 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.808 -11.011 -6.545 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.495 -11.331 -6.931 1.00 0.00 C ATOM 0 H PHE A 117 -7.275 -9.649 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.866 -7.849 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.188 -10.108 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.272 -8.997 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.830 -10.179 -4.185 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.055 -10.134 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.412 -11.274 -6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.635 -11.248 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.312 -11.809 -7.882 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.231 -6.973 -0.859 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.869 -5.833 -0.185 1.00 0.00 C ATOM 1896 C ASP A 118 -9.037 -4.539 -0.273 1.00 0.00 C ATOM 1897 O ASP A 118 -9.617 -3.455 -0.339 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.193 -6.184 1.277 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.376 -7.156 1.431 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.317 -8.010 2.347 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.386 -7.034 0.697 1.00 0.00 O ATOM 0 H ASP A 118 -8.943 -7.721 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.800 -5.633 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.310 -6.624 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.415 -5.266 1.821 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.702 -4.618 -0.357 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.833 -3.451 -0.572 1.00 0.00 C ATOM 1908 C PHE A 119 -7.112 -2.764 -1.921 1.00 0.00 C ATOM 1909 O PHE A 119 -7.311 -1.549 -1.965 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.361 -3.865 -0.407 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.342 -2.822 -0.822 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.957 -2.716 -2.172 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.761 -1.968 0.131 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.040 -1.729 -2.571 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.847 -0.981 -0.266 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.489 -0.855 -1.618 1.00 0.00 C ATOM 0 H PHE A 119 -7.191 -5.497 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.058 -2.701 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.188 -4.121 0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.188 -4.770 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.368 -3.396 -2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.020 -2.072 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.759 -1.642 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.418 -0.317 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.792 -0.089 -1.925 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.193 -3.525 -3.020 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.421 -2.947 -4.354 1.00 0.00 C ATOM 1928 C ASN A 120 -8.903 -2.672 -4.668 1.00 0.00 C ATOM 1929 O ASN A 120 -9.201 -1.796 -5.485 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.722 -3.793 -5.434 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.284 -5.192 -5.626 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.738 -6.174 -5.155 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.374 -5.344 -6.346 1.00 0.00 N ATOM 0 H ASN A 120 -7.104 -4.541 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.963 -1.958 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.782 -3.262 -6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.665 -3.875 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.754 -6.277 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.839 -4.529 -6.745 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.843 -3.385 -4.038 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.287 -3.154 -4.223 1.00 0.00 C ATOM 1942 C VAL A 121 -11.768 -1.939 -3.423 1.00 0.00 C ATOM 1943 O VAL A 121 -12.509 -1.118 -3.964 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.103 -4.424 -3.898 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.617 -4.174 -3.852 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.866 -5.501 -4.966 1.00 0.00 C ATOM 0 H VAL A 121 -9.628 -4.139 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.455 -2.926 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.762 -4.743 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.133 -5.106 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.840 -3.434 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.954 -3.805 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.448 -6.390 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.174 -5.121 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.807 -5.758 -4.995 1.00 0.00 H new ATOM 1956 N SER A 122 -11.319 -1.762 -2.175 1.00 0.00 N ATOM 1957 CA SER A 122 -11.730 -0.614 -1.345 1.00 0.00 C ATOM 1958 C SER A 122 -11.256 0.736 -1.896 1.00 0.00 C ATOM 1959 O SER A 122 -11.944 1.742 -1.721 1.00 0.00 O ATOM 1960 CB SER A 122 -11.250 -0.778 0.098 1.00 0.00 C ATOM 1961 OG SER A 122 -9.842 -0.803 0.164 1.00 0.00 O ATOM 0 H SER A 122 -10.669 -2.398 -1.713 1.00 0.00 H new ATOM 0 HA SER A 122 -12.820 -0.608 -1.371 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.631 0.042 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.653 -1.700 0.516 1.00 0.00 H new ATOM 0 HG SER A 122 -9.521 -1.705 -0.043 1.00 0.00 H new ATOM 1967 N LEU A 123 -10.130 0.760 -2.621 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.663 1.929 -3.369 1.00 0.00 C ATOM 1969 C LEU A 123 -10.525 2.186 -4.617 1.00 0.00 C ATOM 1970 O LEU A 123 -11.073 3.279 -4.772 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.177 1.743 -3.732 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.190 1.870 -2.553 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.790 1.470 -3.022 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.115 3.302 -2.012 1.00 0.00 C ATOM 0 H LEU A 123 -9.510 -0.046 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.763 2.813 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.051 0.760 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.910 2.480 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.549 1.216 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.089 1.558 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.805 0.439 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.476 2.127 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.408 3.341 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.784 3.973 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.100 3.611 -1.663 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.698 1.195 -5.502 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.399 1.413 -6.779 1.00 0.00 C ATOM 1988 C GLN A 124 -12.902 1.689 -6.603 1.00 0.00 C ATOM 1989 O GLN A 124 -13.461 2.519 -7.318 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.109 0.261 -7.757 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.945 -1.004 -7.533 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.425 -2.172 -8.367 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.025 -2.599 -9.344 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.277 -2.718 -8.026 1.00 0.00 N ATOM 0 H GLN A 124 -10.366 0.241 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.001 2.327 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.279 0.616 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.054 -0.001 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.925 -1.272 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.985 -0.805 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.768 -2.370 -7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -9.896 -3.489 -8.574 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.546 1.075 -5.604 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.955 1.305 -5.263 1.00 0.00 C ATOM 2005 C ASP A 125 -15.144 2.498 -4.303 1.00 0.00 C ATOM 2006 O ASP A 125 -16.260 2.784 -3.864 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.591 0.002 -4.752 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.130 0.068 -4.706 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.751 0.591 -5.666 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.729 -0.411 -3.715 1.00 0.00 O ATOM 0 H ASP A 125 -13.094 0.391 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.487 1.595 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.286 -0.823 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.211 -0.216 -3.754 1.00 0.00 H new ATOM 2015 N HIS A 126 -14.070 3.247 -4.029 1.00 0.00 N ATOM 2016 CA HIS A 126 -14.134 4.599 -3.468 1.00 0.00 C ATOM 2017 C HIS A 126 -13.890 5.684 -4.526 1.00 0.00 C ATOM 2018 O HIS A 126 -14.551 6.720 -4.499 1.00 0.00 O ATOM 2019 CB HIS A 126 -13.161 4.710 -2.291 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.203 6.061 -1.628 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -14.256 6.549 -0.847 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.220 7.004 -1.693 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.873 7.773 -0.446 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.662 8.070 -0.945 1.00 0.00 N ATOM 0 H HIS A 126 -13.117 2.924 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 126 -15.146 4.772 -3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.398 3.941 -1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -12.148 4.514 -2.642 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -15.132 6.075 -0.628 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.283 6.929 -2.225 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.456 8.425 0.187 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.008 5.441 -5.502 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.671 6.393 -6.571 1.00 0.00 C ATOM 2034 C PHE A 127 -13.558 6.320 -7.829 1.00 0.00 C ATOM 2035 O PHE A 127 -13.399 7.156 -8.719 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.184 6.244 -6.929 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.219 6.893 -5.954 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -9.270 6.114 -5.268 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -10.209 8.293 -5.800 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -8.263 6.731 -4.509 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -9.222 8.911 -5.014 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.233 8.132 -4.391 1.00 0.00 C ATOM 0 H PHE A 127 -12.498 4.561 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.875 7.385 -6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.947 5.182 -6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.020 6.672 -7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -9.316 5.037 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -10.963 8.893 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -7.512 6.131 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.224 9.984 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.449 8.609 -3.821 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.517 5.386 -7.927 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.345 5.183 -9.142 1.00 0.00 C ATOM 2054 C LYS A 128 -16.111 6.417 -9.650 1.00 0.00 C ATOM 2055 O LYS A 128 -16.389 6.508 -10.845 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.262 3.951 -8.995 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.539 4.128 -8.156 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.281 4.424 -6.677 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.595 4.391 -5.887 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.752 3.132 -5.115 1.00 0.00 N ATOM 0 H LYS A 128 -14.746 4.745 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.620 4.993 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.555 3.625 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.677 3.143 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.129 4.940 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.140 3.222 -8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.586 3.691 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.811 5.402 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.629 5.240 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.434 4.501 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.689 3.115 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.661 2.318 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.015 3.080 -4.383 1.00 0.00 H new