USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot -90:sc= 1.01 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 173:sc= 1.75 (180deg=0.403) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 79:sc= 1.22 USER MOD Single : A 25 SER OG : rot -50:sc= 0.375 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00291 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc=-0.00442 (180deg=-0.00442) USER MOD Single : A 49 HIS : no HD1:sc= -1.87! X(o=-1.9!,f=-2) USER MOD Single : A 52 SER OG : rot -40:sc= 0.0262 USER MOD Single : A 62 GLN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -140:sc= 0.0257 USER MOD Single : A 68 HIS : no HE2:sc= -0.36 K(o=-0.36,f=-0.92) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.98) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.13! C(o=-2.1!,f=-4.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.0762 USER MOD Single : A 84 SER OG : rot 30:sc= 1.22 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.884 X(o=-0.88,f=-1) USER MOD Single : A 91 ASN : amide:sc= 1.41 K(o=1.4,f=-9.1!) USER MOD Single : A 95 CYS SG : rot 56:sc= -0.221 USER MOD Single : A 97 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 102 MET CE :methyl -172:sc= -1.59 (180deg=-1.74) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -5.815 5.133 -7.843 1.00 0.00 N ATOM 180 CA TYR A 16 -5.116 4.852 -9.097 1.00 0.00 C ATOM 181 C TYR A 16 -3.670 4.366 -8.908 1.00 0.00 C ATOM 182 O TYR A 16 -3.187 3.648 -9.776 1.00 0.00 O ATOM 183 CB TYR A 16 -5.174 6.091 -10.008 1.00 0.00 C ATOM 184 CG TYR A 16 -4.688 7.396 -9.389 1.00 0.00 C ATOM 185 CD1 TYR A 16 -3.322 7.611 -9.114 1.00 0.00 C ATOM 186 CD2 TYR A 16 -5.617 8.408 -9.089 1.00 0.00 C ATOM 187 CE1 TYR A 16 -2.897 8.803 -8.501 1.00 0.00 C ATOM 188 CE2 TYR A 16 -5.192 9.622 -8.526 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.825 9.836 -8.243 1.00 0.00 C ATOM 190 OH TYR A 16 -3.397 11.032 -7.753 1.00 0.00 O ATOM 0 HA TYR A 16 -5.636 4.020 -9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.579 5.891 -10.899 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.204 6.229 -10.336 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.597 6.855 -9.376 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.666 8.250 -9.293 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.860 8.929 -8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.914 10.396 -8.308 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.164 11.630 -7.634 1.00 0.00 H new ATOM 200 N ILE A 17 -3.017 4.756 -7.799 1.00 0.00 N ATOM 201 CA ILE A 17 -1.628 4.514 -7.381 1.00 0.00 C ATOM 202 C ILE A 17 -0.692 4.200 -8.567 1.00 0.00 C ATOM 203 O ILE A 17 -0.598 3.051 -9.005 1.00 0.00 O ATOM 204 CB ILE A 17 -1.553 3.468 -6.240 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.402 3.823 -4.995 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.091 3.288 -5.793 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.068 5.175 -4.360 1.00 0.00 C ATOM 0 H ILE A 17 -3.507 5.310 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.249 5.448 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.965 2.549 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.455 3.819 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.269 3.042 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.044 2.552 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.508 2.944 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.300 4.240 -5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.711 5.340 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.025 5.180 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.230 5.969 -5.089 1.00 0.00 H new ATOM 219 N PRO A 18 0.012 5.215 -9.094 1.00 0.00 N ATOM 220 CA PRO A 18 0.725 5.143 -10.359 1.00 0.00 C ATOM 221 C PRO A 18 2.004 4.323 -10.201 1.00 0.00 C ATOM 222 O PRO A 18 3.050 4.878 -9.866 1.00 0.00 O ATOM 223 CB PRO A 18 0.988 6.608 -10.736 1.00 0.00 C ATOM 224 CG PRO A 18 1.148 7.291 -9.377 1.00 0.00 C ATOM 225 CD PRO A 18 0.232 6.507 -8.461 1.00 0.00 C ATOM 0 HA PRO A 18 0.165 4.638 -11.146 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.884 6.712 -11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.162 7.032 -11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.182 7.256 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.862 8.342 -9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.683 6.384 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.712 7.032 -8.316 1.00 0.00 H new ATOM 233 N LEU A 19 1.914 3.013 -10.456 1.00 0.00 N ATOM 234 CA LEU A 19 3.004 2.050 -10.305 1.00 0.00 C ATOM 235 C LEU A 19 4.292 2.573 -10.941 1.00 0.00 C ATOM 236 O LEU A 19 5.325 2.594 -10.279 1.00 0.00 O ATOM 237 CB LEU A 19 2.603 0.681 -10.894 1.00 0.00 C ATOM 238 CG LEU A 19 1.621 -0.130 -10.021 1.00 0.00 C ATOM 239 CD1 LEU A 19 1.153 -1.395 -10.760 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.275 -0.552 -8.701 1.00 0.00 C ATOM 0 H LEU A 19 1.050 2.582 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 19 3.196 1.916 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.152 0.839 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.505 0.089 -11.050 1.00 0.00 H new ATOM 0 HG LEU A 19 0.767 0.515 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.462 -1.952 -10.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.650 -1.111 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.015 -2.020 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.560 -1.121 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.148 -1.170 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.582 0.335 -8.147 1.00 0.00 H new ATOM 252 N ASP A 20 4.207 3.081 -12.171 1.00 0.00 N ATOM 253 CA ASP A 20 5.318 3.653 -12.929 1.00 0.00 C ATOM 254 C ASP A 20 6.076 4.715 -12.131 1.00 0.00 C ATOM 255 O ASP A 20 7.309 4.755 -12.158 1.00 0.00 O ATOM 256 CB ASP A 20 4.804 4.280 -14.233 1.00 0.00 C ATOM 257 CG ASP A 20 4.350 3.237 -15.249 1.00 0.00 C ATOM 258 OD1 ASP A 20 3.351 2.532 -14.979 1.00 0.00 O ATOM 259 OD2 ASP A 20 4.995 3.096 -16.313 1.00 0.00 O ATOM 0 H ASP A 20 3.327 3.106 -12.686 1.00 0.00 H new ATOM 0 HA ASP A 20 6.006 2.836 -13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.972 4.947 -14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.592 4.891 -14.673 1.00 0.00 H new ATOM 264 N ARG A 21 5.389 5.615 -11.418 1.00 0.00 N ATOM 265 CA ARG A 21 6.017 6.643 -10.603 1.00 0.00 C ATOM 266 C ARG A 21 6.758 6.083 -9.400 1.00 0.00 C ATOM 267 O ARG A 21 7.671 6.752 -8.896 1.00 0.00 O ATOM 268 CB ARG A 21 4.907 7.598 -10.148 1.00 0.00 C ATOM 269 CG ARG A 21 5.224 9.042 -10.509 1.00 0.00 C ATOM 270 CD ARG A 21 5.676 9.870 -9.296 1.00 0.00 C ATOM 271 NE ARG A 21 6.573 10.970 -9.689 1.00 0.00 N ATOM 272 CZ ARG A 21 7.902 10.876 -9.848 1.00 0.00 C ATOM 273 NH1 ARG A 21 8.523 9.718 -9.647 1.00 0.00 N ATOM 274 NH2 ARG A 21 8.620 11.929 -10.221 1.00 0.00 N ATOM 0 H ARG A 21 4.370 5.644 -11.395 1.00 0.00 H new ATOM 0 HA ARG A 21 6.772 7.154 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.964 7.306 -10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.774 7.513 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.006 9.059 -11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.341 9.504 -10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.802 10.277 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.186 9.222 -8.583 1.00 0.00 H new ATOM 0 HE ARG A 21 6.147 11.882 -9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.989 8.894 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.534 9.653 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.162 12.824 -10.391 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.630 11.842 -10.338 1.00 0.00 H new ATOM 288 N LEU A 22 6.336 4.922 -8.907 1.00 0.00 N ATOM 289 CA LEU A 22 6.945 4.233 -7.785 1.00 0.00 C ATOM 290 C LEU A 22 8.097 3.377 -8.322 1.00 0.00 C ATOM 291 O LEU A 22 8.495 3.485 -9.484 1.00 0.00 O ATOM 292 CB LEU A 22 5.915 3.383 -7.005 1.00 0.00 C ATOM 293 CG LEU A 22 4.486 3.938 -6.864 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.649 3.025 -5.969 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.430 5.354 -6.285 1.00 0.00 C ATOM 0 H LEU A 22 5.535 4.423 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 22 7.330 4.962 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.850 2.409 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.310 3.215 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 22 4.086 3.976 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.641 3.429 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.602 2.029 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.106 2.965 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.392 5.678 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.879 5.359 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.979 6.035 -6.935 1.00 0.00 H new ATOM 307 N SER A 23 8.644 2.544 -7.446 1.00 0.00 N ATOM 308 CA SER A 23 9.808 1.705 -7.660 1.00 0.00 C ATOM 309 C SER A 23 9.413 0.336 -7.107 1.00 0.00 C ATOM 310 O SER A 23 9.437 0.135 -5.892 1.00 0.00 O ATOM 311 CB SER A 23 11.032 2.315 -6.941 1.00 0.00 C ATOM 312 OG SER A 23 10.896 3.710 -6.734 1.00 0.00 O ATOM 0 H SER A 23 8.259 2.432 -6.508 1.00 0.00 H new ATOM 0 HA SER A 23 10.097 1.622 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.170 1.819 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.929 2.123 -7.530 1.00 0.00 H new ATOM 0 HG SER A 23 10.314 3.871 -5.962 1.00 0.00 H new ATOM 318 N ILE A 24 8.914 -0.562 -7.951 1.00 0.00 N ATOM 319 CA ILE A 24 8.408 -1.858 -7.510 1.00 0.00 C ATOM 320 C ILE A 24 9.614 -2.787 -7.439 1.00 0.00 C ATOM 321 O ILE A 24 10.549 -2.657 -8.239 1.00 0.00 O ATOM 322 CB ILE A 24 7.309 -2.371 -8.476 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.999 -1.565 -8.342 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.930 -3.843 -8.211 1.00 0.00 C ATOM 325 CD1 ILE A 24 6.072 -0.099 -8.768 1.00 0.00 C ATOM 0 H ILE A 24 8.849 -0.413 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 24 7.930 -1.800 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 24 7.743 -2.257 -9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.229 -2.058 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.675 -1.606 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.157 -4.152 -8.915 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.810 -4.474 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.555 -3.945 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.097 0.369 -8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.812 0.420 -8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.359 -0.039 -9.818 1.00 0.00 H new ATOM 337 N SER A 25 9.594 -3.758 -6.532 1.00 0.00 N ATOM 338 CA SER A 25 10.497 -4.885 -6.610 1.00 0.00 C ATOM 339 C SER A 25 9.753 -6.080 -6.056 1.00 0.00 C ATOM 340 O SER A 25 9.308 -6.076 -4.913 1.00 0.00 O ATOM 341 CB SER A 25 11.783 -4.596 -5.824 1.00 0.00 C ATOM 342 OG SER A 25 12.773 -5.569 -6.117 1.00 0.00 O ATOM 0 H SER A 25 8.958 -3.781 -5.735 1.00 0.00 H new ATOM 0 HA SER A 25 10.804 -5.081 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.155 -3.603 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.571 -4.595 -4.755 1.00 0.00 H new ATOM 0 HG SER A 25 12.390 -6.466 -6.019 1.00 0.00 H new ATOM 348 N TYR A 26 9.626 -7.139 -6.837 1.00 0.00 N ATOM 349 CA TYR A 26 9.397 -8.441 -6.244 1.00 0.00 C ATOM 350 C TYR A 26 10.715 -8.959 -5.669 1.00 0.00 C ATOM 351 O TYR A 26 11.795 -8.439 -5.979 1.00 0.00 O ATOM 352 CB TYR A 26 8.778 -9.359 -7.290 1.00 0.00 C ATOM 353 CG TYR A 26 7.579 -8.740 -7.999 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.729 -7.820 -7.339 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.416 -8.957 -9.380 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.806 -7.070 -8.064 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.442 -8.246 -10.102 1.00 0.00 C ATOM 358 CZ TYR A 26 5.634 -7.292 -9.444 1.00 0.00 C ATOM 359 OH TYR A 26 4.694 -6.578 -10.113 1.00 0.00 O ATOM 0 H TYR A 26 9.676 -7.125 -7.856 1.00 0.00 H new ATOM 0 HA TYR A 26 8.690 -8.392 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.535 -9.618 -8.030 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.469 -10.288 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.797 -7.699 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.043 -9.674 -9.888 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.219 -6.314 -7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.311 -8.429 -11.158 1.00 0.00 H new ATOM 0 HH TYR A 26 4.694 -6.841 -11.057 1.00 0.00 H new ATOM 369 N CYS A 27 10.628 -9.952 -4.787 1.00 0.00 N ATOM 370 CA CYS A 27 11.773 -10.572 -4.139 1.00 0.00 C ATOM 371 C CYS A 27 11.354 -11.944 -3.592 1.00 0.00 C ATOM 372 O CYS A 27 10.263 -12.434 -3.897 1.00 0.00 O ATOM 373 CB CYS A 27 12.317 -9.643 -3.035 1.00 0.00 C ATOM 374 SG CYS A 27 14.127 -9.714 -2.997 1.00 0.00 S ATOM 0 H CYS A 27 9.736 -10.355 -4.499 1.00 0.00 H new ATOM 0 HA CYS A 27 12.581 -10.726 -4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.989 -8.619 -3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.913 -9.940 -2.067 1.00 0.00 H new ATOM 0 HG CYS A 27 14.573 -8.925 -2.065 1.00 0.00 H new ATOM 585 N LYS A 43 7.599 -12.171 -2.954 1.00 0.00 N ATOM 586 CA LYS A 43 7.448 -10.934 -2.199 1.00 0.00 C ATOM 587 C LYS A 43 6.946 -9.846 -3.139 1.00 0.00 C ATOM 588 O LYS A 43 7.168 -9.952 -4.350 1.00 0.00 O ATOM 589 CB LYS A 43 8.790 -10.518 -1.591 1.00 0.00 C ATOM 590 CG LYS A 43 8.653 -9.655 -0.339 1.00 0.00 C ATOM 591 CD LYS A 43 9.854 -8.729 -0.187 1.00 0.00 C ATOM 592 CE LYS A 43 9.941 -8.319 1.274 1.00 0.00 C ATOM 593 NZ LYS A 43 11.281 -7.821 1.654 1.00 0.00 N ATOM 0 HA LYS A 43 6.734 -11.084 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.361 -11.413 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.364 -9.970 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.738 -9.065 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.566 -10.293 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.768 -9.235 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.743 -7.852 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.201 -7.544 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.685 -9.173 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.281 -7.557 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.987 -8.567 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.518 -6.989 1.077 1.00 0.00 H new ATOM 607 N ALA A 44 6.333 -8.793 -2.606 1.00 0.00 N ATOM 608 CA ALA A 44 6.212 -7.531 -3.306 1.00 0.00 C ATOM 609 C ALA A 44 6.667 -6.447 -2.346 1.00 0.00 C ATOM 610 O ALA A 44 6.352 -6.477 -1.154 1.00 0.00 O ATOM 611 CB ALA A 44 4.787 -7.310 -3.806 1.00 0.00 C ATOM 0 H ALA A 44 5.909 -8.797 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 44 6.836 -7.517 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.728 -6.354 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.512 -8.114 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.101 -7.304 -2.959 1.00 0.00 H new ATOM 617 N GLU A 45 7.446 -5.519 -2.874 1.00 0.00 N ATOM 618 CA GLU A 45 8.008 -4.356 -2.230 1.00 0.00 C ATOM 619 C GLU A 45 7.755 -3.192 -3.183 1.00 0.00 C ATOM 620 O GLU A 45 7.741 -3.362 -4.405 1.00 0.00 O ATOM 621 CB GLU A 45 9.501 -4.621 -1.967 1.00 0.00 C ATOM 622 CG GLU A 45 10.331 -3.395 -1.576 1.00 0.00 C ATOM 623 CD GLU A 45 11.781 -3.819 -1.349 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.063 -4.487 -0.330 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.649 -3.579 -2.223 1.00 0.00 O ATOM 0 H GLU A 45 7.723 -5.570 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 45 7.562 -4.125 -1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.586 -5.363 -1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.937 -5.062 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.279 -2.641 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.927 -2.941 -0.671 1.00 0.00 H new ATOM 632 N VAL A 46 7.536 -2.016 -2.613 1.00 0.00 N ATOM 633 CA VAL A 46 7.320 -0.765 -3.311 1.00 0.00 C ATOM 634 C VAL A 46 8.149 0.278 -2.579 1.00 0.00 C ATOM 635 O VAL A 46 8.071 0.372 -1.350 1.00 0.00 O ATOM 636 CB VAL A 46 5.820 -0.411 -3.302 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.539 0.889 -4.060 1.00 0.00 C ATOM 638 CG2 VAL A 46 4.978 -1.513 -3.952 1.00 0.00 C ATOM 0 H VAL A 46 7.503 -1.907 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 46 7.621 -0.821 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 46 5.548 -0.298 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.471 1.104 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.087 1.708 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.859 0.782 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.926 -1.229 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.293 -1.649 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.115 -2.446 -3.405 1.00 0.00 H new ATOM 648 N ARG A 47 8.906 1.086 -3.319 1.00 0.00 N ATOM 649 CA ARG A 47 9.659 2.230 -2.830 1.00 0.00 C ATOM 650 C ARG A 47 9.225 3.468 -3.605 1.00 0.00 C ATOM 651 O ARG A 47 9.034 3.386 -4.816 1.00 0.00 O ATOM 652 CB ARG A 47 11.162 1.926 -2.941 1.00 0.00 C ATOM 653 CG ARG A 47 12.077 3.135 -2.758 1.00 0.00 C ATOM 654 CD ARG A 47 13.444 2.753 -2.170 1.00 0.00 C ATOM 655 NE ARG A 47 14.183 1.783 -2.997 1.00 0.00 N ATOM 656 CZ ARG A 47 14.935 2.060 -4.069 1.00 0.00 C ATOM 657 NH1 ARG A 47 15.002 3.288 -4.571 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.620 1.070 -4.631 1.00 0.00 N ATOM 0 H ARG A 47 9.013 0.951 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 47 9.458 2.427 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.422 1.175 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.358 1.485 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.223 3.625 -3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.592 3.858 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.046 3.654 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.299 2.335 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 47 14.115 0.802 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.473 4.045 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.582 3.474 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.565 0.128 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.201 1.252 -5.449 1.00 0.00 H new ATOM 672 N PHE A 48 9.088 4.617 -2.951 1.00 0.00 N ATOM 673 CA PHE A 48 8.991 5.907 -3.628 1.00 0.00 C ATOM 674 C PHE A 48 9.604 6.993 -2.750 1.00 0.00 C ATOM 675 O PHE A 48 9.453 6.945 -1.531 1.00 0.00 O ATOM 676 CB PHE A 48 7.526 6.221 -3.994 1.00 0.00 C ATOM 677 CG PHE A 48 6.506 6.207 -2.864 1.00 0.00 C ATOM 678 CD1 PHE A 48 6.252 7.378 -2.126 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.760 5.045 -2.585 1.00 0.00 C ATOM 680 CE1 PHE A 48 5.264 7.393 -1.126 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.767 5.058 -1.589 1.00 0.00 C ATOM 682 CZ PHE A 48 4.510 6.236 -0.868 1.00 0.00 C ATOM 0 H PHE A 48 9.041 4.681 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 48 9.552 5.870 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.499 7.205 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.205 5.502 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.821 8.273 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.952 4.138 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.085 8.293 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.202 4.162 -1.378 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.734 6.252 -0.117 1.00 0.00 H new ATOM 692 N HIS A 49 10.264 7.996 -3.338 1.00 0.00 N ATOM 693 CA HIS A 49 10.561 9.256 -2.658 1.00 0.00 C ATOM 694 C HIS A 49 9.238 9.921 -2.341 1.00 0.00 C ATOM 695 O HIS A 49 8.539 10.403 -3.235 1.00 0.00 O ATOM 696 CB HIS A 49 11.479 10.152 -3.497 1.00 0.00 C ATOM 697 CG HIS A 49 12.050 11.336 -2.762 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.138 12.617 -3.255 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.673 11.324 -1.541 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.796 13.362 -2.360 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.105 12.630 -1.272 1.00 0.00 N ATOM 0 H HIS A 49 10.606 7.955 -4.298 1.00 0.00 H new ATOM 0 HA HIS A 49 11.110 9.070 -1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.302 9.548 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.920 10.513 -4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.807 10.464 -0.902 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.045 14.405 -2.491 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.562 12.960 -0.422 1.00 0.00 H new ATOM 709 N LEU A 50 8.902 9.902 -1.056 1.00 0.00 N ATOM 710 CA LEU A 50 7.700 10.476 -0.493 1.00 0.00 C ATOM 711 C LEU A 50 7.593 11.943 -0.900 1.00 0.00 C ATOM 712 O LEU A 50 6.548 12.378 -1.372 1.00 0.00 O ATOM 713 CB LEU A 50 7.762 10.209 1.022 1.00 0.00 C ATOM 714 CG LEU A 50 6.821 11.015 1.921 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.282 12.470 2.051 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.371 10.888 1.456 1.00 0.00 C ATOM 0 H LEU A 50 9.493 9.463 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 50 6.781 10.028 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.559 9.151 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.784 10.393 1.354 1.00 0.00 H new ATOM 0 HG LEU A 50 6.862 10.592 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.592 13.014 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.282 12.498 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.301 12.935 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.726 11.471 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.282 11.261 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.069 9.841 1.487 1.00 0.00 H new ATOM 728 N ALA A 51 8.675 12.709 -0.764 1.00 0.00 N ATOM 729 CA ALA A 51 8.655 14.137 -1.033 1.00 0.00 C ATOM 730 C ALA A 51 8.243 14.454 -2.468 1.00 0.00 C ATOM 731 O ALA A 51 7.583 15.467 -2.679 1.00 0.00 O ATOM 732 CB ALA A 51 10.022 14.734 -0.734 1.00 0.00 C ATOM 0 H ALA A 51 9.584 12.354 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 51 7.905 14.584 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.004 15.805 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.270 14.567 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.773 14.258 -1.365 1.00 0.00 H new ATOM 738 N SER A 52 8.603 13.600 -3.427 1.00 0.00 N ATOM 739 CA SER A 52 8.319 13.787 -4.844 1.00 0.00 C ATOM 740 C SER A 52 7.060 13.013 -5.260 1.00 0.00 C ATOM 741 O SER A 52 6.731 12.966 -6.448 1.00 0.00 O ATOM 742 CB SER A 52 9.577 13.378 -5.622 1.00 0.00 C ATOM 743 OG SER A 52 9.609 13.825 -6.963 1.00 0.00 O ATOM 0 H SER A 52 9.113 12.739 -3.231 1.00 0.00 H new ATOM 0 HA SER A 52 8.093 14.829 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.453 13.767 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.657 12.291 -5.613 1.00 0.00 H new ATOM 0 HG SER A 52 8.716 13.739 -7.358 1.00 0.00 H new ATOM 749 N ALA A 53 6.337 12.397 -4.319 1.00 0.00 N ATOM 750 CA ALA A 53 5.076 11.746 -4.613 1.00 0.00 C ATOM 751 C ALA A 53 3.996 12.822 -4.759 1.00 0.00 C ATOM 752 O ALA A 53 3.235 13.061 -3.833 1.00 0.00 O ATOM 753 CB ALA A 53 4.765 10.722 -3.516 1.00 0.00 C ATOM 0 H ALA A 53 6.616 12.341 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 53 5.119 11.194 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.817 10.231 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.559 9.977 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.697 11.229 -2.554 1.00 0.00 H new ATOM 759 N ASP A 54 3.929 13.480 -5.915 1.00 0.00 N ATOM 760 CA ASP A 54 3.009 14.595 -6.193 1.00 0.00 C ATOM 761 C ASP A 54 1.542 14.157 -6.222 1.00 0.00 C ATOM 762 O ASP A 54 0.631 14.977 -6.155 1.00 0.00 O ATOM 763 CB ASP A 54 3.374 15.237 -7.542 1.00 0.00 C ATOM 764 CG ASP A 54 4.352 16.398 -7.392 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.290 16.313 -6.564 1.00 0.00 O ATOM 766 OD2 ASP A 54 4.210 17.391 -8.145 1.00 0.00 O ATOM 0 H ASP A 54 4.527 13.251 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 54 3.119 15.314 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.811 14.481 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.466 15.592 -8.029 1.00 0.00 H new ATOM 771 N TRP A 55 1.290 12.853 -6.318 1.00 0.00 N ATOM 772 CA TRP A 55 -0.020 12.232 -6.151 1.00 0.00 C ATOM 773 C TRP A 55 -0.415 12.115 -4.664 1.00 0.00 C ATOM 774 O TRP A 55 -1.536 11.698 -4.348 1.00 0.00 O ATOM 775 CB TRP A 55 0.021 10.874 -6.863 1.00 0.00 C ATOM 776 CG TRP A 55 1.155 9.980 -6.459 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.429 10.023 -6.916 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.137 8.950 -5.443 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.198 9.098 -6.239 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.456 8.439 -5.283 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.130 8.431 -4.614 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.772 7.498 -4.294 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.427 7.459 -3.650 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.747 7.004 -3.474 1.00 0.00 C ATOM 0 H TRP A 55 2.023 12.174 -6.523 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.796 12.854 -6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.918 10.353 -6.674 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.079 11.046 -7.938 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.789 10.681 -7.693 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.186 8.925 -6.422 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.885 8.785 -4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.789 7.158 -4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.364 7.055 -3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.970 6.275 -2.709 1.00 0.00 H new ATOM 795 N ILE A 56 0.462 12.508 -3.738 1.00 0.00 N ATOM 796 CA ILE A 56 0.173 12.679 -2.325 1.00 0.00 C ATOM 797 C ILE A 56 0.035 14.182 -2.085 1.00 0.00 C ATOM 798 O ILE A 56 0.735 15.006 -2.674 1.00 0.00 O ATOM 799 CB ILE A 56 1.271 12.016 -1.454 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.450 10.526 -1.827 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.922 12.146 0.037 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.474 9.779 -0.962 1.00 0.00 C ATOM 0 H ILE A 56 1.432 12.723 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.753 12.182 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 56 2.211 12.534 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.486 10.024 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.755 10.459 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.702 11.676 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.847 13.200 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.031 11.654 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.539 8.741 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.450 10.253 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.161 9.811 0.082 1.00 0.00 H new ATOM 814 N GLU A 57 -0.907 14.523 -1.219 1.00 0.00 N ATOM 815 CA GLU A 57 -1.226 15.872 -0.782 1.00 0.00 C ATOM 816 C GLU A 57 -0.075 16.373 0.070 1.00 0.00 C ATOM 817 O GLU A 57 0.429 15.613 0.895 1.00 0.00 O ATOM 818 CB GLU A 57 -2.565 15.842 -0.009 1.00 0.00 C ATOM 819 CG GLU A 57 -3.581 14.982 -0.744 1.00 0.00 C ATOM 820 CD GLU A 57 -5.053 15.158 -0.376 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.481 16.244 0.078 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.828 14.231 -0.704 1.00 0.00 O ATOM 0 H GLU A 57 -1.504 13.824 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.350 16.554 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.404 15.449 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.950 16.855 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.476 15.176 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.317 13.937 -0.582 1.00 0.00 H new ATOM 829 N GLU A 58 0.281 17.652 -0.047 1.00 0.00 N ATOM 830 CA GLU A 58 1.228 18.318 0.841 1.00 0.00 C ATOM 831 C GLU A 58 1.076 17.923 2.310 1.00 0.00 C ATOM 832 O GLU A 58 2.079 17.582 2.953 1.00 0.00 O ATOM 833 CB GLU A 58 1.079 19.847 0.748 1.00 0.00 C ATOM 834 CG GLU A 58 2.442 20.495 0.526 1.00 0.00 C ATOM 835 CD GLU A 58 2.737 20.632 -0.970 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.255 19.791 -1.762 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.476 21.562 -1.357 1.00 0.00 O ATOM 0 H GLU A 58 -0.088 18.263 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 58 2.212 17.994 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.407 20.105 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.629 20.233 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.465 21.477 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.218 19.895 1.002 1.00 0.00 H new ATOM 844 N PRO A 59 -0.146 17.970 2.882 1.00 0.00 N ATOM 845 CA PRO A 59 -0.265 17.775 4.309 1.00 0.00 C ATOM 846 C PRO A 59 -0.114 16.295 4.664 1.00 0.00 C ATOM 847 O PRO A 59 0.257 15.972 5.789 1.00 0.00 O ATOM 848 CB PRO A 59 -1.635 18.348 4.669 1.00 0.00 C ATOM 849 CG PRO A 59 -2.471 18.110 3.416 1.00 0.00 C ATOM 850 CD PRO A 59 -1.461 18.218 2.277 1.00 0.00 C ATOM 0 HA PRO A 59 0.518 18.276 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.063 17.846 5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.573 19.409 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.949 17.131 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.265 18.851 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.675 17.490 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.498 19.204 1.814 1.00 0.00 H new ATOM 858 N VAL A 60 -0.333 15.396 3.704 1.00 0.00 N ATOM 859 CA VAL A 60 -0.217 13.968 3.869 1.00 0.00 C ATOM 860 C VAL A 60 1.243 13.554 3.637 1.00 0.00 C ATOM 861 O VAL A 60 1.737 12.672 4.341 1.00 0.00 O ATOM 862 CB VAL A 60 -1.213 13.285 2.916 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.160 11.764 3.061 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.659 13.736 3.173 1.00 0.00 C ATOM 0 H VAL A 60 -0.606 15.665 2.759 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.472 13.652 4.881 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.917 13.579 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.874 11.308 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.156 11.411 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.412 11.487 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.327 13.229 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.942 13.486 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.735 14.814 3.028 1.00 0.00 H new ATOM 874 N ARG A 61 1.971 14.212 2.719 1.00 0.00 N ATOM 875 CA ARG A 61 3.383 13.934 2.464 1.00 0.00 C ATOM 876 C ARG A 61 4.151 14.047 3.774 1.00 0.00 C ATOM 877 O ARG A 61 4.807 13.097 4.194 1.00 0.00 O ATOM 878 CB ARG A 61 4.001 14.849 1.379 1.00 0.00 C ATOM 879 CG ARG A 61 3.648 14.465 -0.066 1.00 0.00 C ATOM 880 CD ARG A 61 4.580 15.083 -1.127 1.00 0.00 C ATOM 881 NE ARG A 61 4.142 16.414 -1.594 1.00 0.00 N ATOM 882 CZ ARG A 61 4.257 16.862 -2.856 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.046 16.246 -3.735 1.00 0.00 N ATOM 884 NH2 ARG A 61 3.577 17.929 -3.237 1.00 0.00 N ATOM 0 H ARG A 61 1.589 14.954 2.133 1.00 0.00 H new ATOM 0 HA ARG A 61 3.457 12.921 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.674 15.873 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.085 14.837 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.678 13.379 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.624 14.775 -0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.585 15.165 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.641 14.409 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 61 3.721 17.040 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.575 15.420 -3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.121 16.600 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.968 18.409 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.661 18.273 -4.194 1.00 0.00 H new ATOM 898 N GLN A 62 4.038 15.191 4.444 1.00 0.00 N ATOM 899 CA GLN A 62 4.754 15.416 5.694 1.00 0.00 C ATOM 900 C GLN A 62 4.208 14.542 6.825 1.00 0.00 C ATOM 901 O GLN A 62 4.933 14.314 7.787 1.00 0.00 O ATOM 902 CB GLN A 62 4.726 16.899 6.079 1.00 0.00 C ATOM 903 CG GLN A 62 3.362 17.305 6.638 1.00 0.00 C ATOM 904 CD GLN A 62 3.079 18.790 6.465 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.042 19.538 7.441 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.890 19.249 5.238 1.00 0.00 N ATOM 0 H GLN A 62 3.459 15.974 4.142 1.00 0.00 H new ATOM 0 HA GLN A 62 5.792 15.126 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.499 17.098 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.959 17.508 5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.583 16.729 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.317 17.051 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.925 18.610 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.709 20.241 5.087 1.00 0.00 H new ATOM 915 N LYS A 63 2.965 14.039 6.741 1.00 0.00 N ATOM 916 CA LYS A 63 2.518 13.032 7.680 1.00 0.00 C ATOM 917 C LYS A 63 3.364 11.794 7.467 1.00 0.00 C ATOM 918 O LYS A 63 4.169 11.474 8.309 1.00 0.00 O ATOM 919 CB LYS A 63 1.031 12.731 7.513 1.00 0.00 C ATOM 920 CG LYS A 63 0.208 13.048 8.762 1.00 0.00 C ATOM 921 CD LYS A 63 -0.152 14.530 8.803 1.00 0.00 C ATOM 922 CE LYS A 63 -1.262 14.732 9.820 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.852 16.073 9.728 1.00 0.00 N ATOM 0 H LYS A 63 2.274 14.315 6.043 1.00 0.00 H new ATOM 0 HA LYS A 63 2.639 13.394 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.642 13.308 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.906 11.678 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.701 12.447 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.773 12.780 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.721 15.124 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.475 14.868 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.038 13.983 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.867 14.577 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.605 16.170 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.117 16.788 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.252 16.212 8.778 1.00 0.00 H new ATOM 937 N ILE A 64 3.288 11.135 6.319 1.00 0.00 N ATOM 938 CA ILE A 64 4.010 9.925 5.940 1.00 0.00 C ATOM 939 C ILE A 64 5.524 10.046 6.207 1.00 0.00 C ATOM 940 O ILE A 64 6.149 9.046 6.554 1.00 0.00 O ATOM 941 CB ILE A 64 3.596 9.627 4.487 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.112 9.191 4.437 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.448 8.539 3.830 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.470 9.455 3.083 1.00 0.00 C ATOM 0 H ILE A 64 2.674 11.456 5.571 1.00 0.00 H new ATOM 0 HA ILE A 64 3.747 9.064 6.555 1.00 0.00 H new ATOM 0 HB ILE A 64 3.750 10.551 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.042 8.128 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.555 9.722 5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.106 8.376 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.492 8.852 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.354 7.612 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.430 9.130 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.513 10.521 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.007 8.903 2.312 1.00 0.00 H new ATOM 956 N ALA A 65 6.096 11.251 6.145 1.00 0.00 N ATOM 957 CA ALA A 65 7.478 11.541 6.516 1.00 0.00 C ATOM 958 C ALA A 65 7.772 11.169 7.983 1.00 0.00 C ATOM 959 O ALA A 65 8.857 10.700 8.321 1.00 0.00 O ATOM 960 CB ALA A 65 7.741 13.035 6.270 1.00 0.00 C ATOM 0 H ALA A 65 5.591 12.077 5.824 1.00 0.00 H new ATOM 0 HA ALA A 65 8.145 10.934 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.770 13.273 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.581 13.264 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.059 13.629 6.878 1.00 0.00 H new ATOM 966 N LEU A 66 6.815 11.469 8.857 1.00 0.00 N ATOM 967 CA LEU A 66 6.799 11.339 10.307 1.00 0.00 C ATOM 968 C LEU A 66 6.021 10.099 10.760 1.00 0.00 C ATOM 969 O LEU A 66 6.568 9.183 11.370 1.00 0.00 O ATOM 970 CB LEU A 66 6.168 12.618 10.884 1.00 0.00 C ATOM 971 CG LEU A 66 6.900 13.917 10.484 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.110 15.141 10.945 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.330 13.947 11.029 1.00 0.00 C ATOM 0 H LEU A 66 5.931 11.853 8.524 1.00 0.00 H new ATOM 0 HA LEU A 66 7.818 11.214 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.132 12.681 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.151 12.543 11.971 1.00 0.00 H new ATOM 0 HG LEU A 66 6.968 13.942 9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.641 16.047 10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.124 15.134 10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.001 15.116 12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.815 14.876 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.306 13.886 12.117 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.889 13.100 10.631 1.00 0.00 H new ATOM 985 N THR A 67 4.725 10.055 10.464 1.00 0.00 N ATOM 986 CA THR A 67 3.776 9.006 10.777 1.00 0.00 C ATOM 987 C THR A 67 4.363 7.657 10.356 1.00 0.00 C ATOM 988 O THR A 67 4.457 6.727 11.155 1.00 0.00 O ATOM 989 CB THR A 67 2.471 9.344 10.030 1.00 0.00 C ATOM 990 OG1 THR A 67 2.069 10.676 10.281 1.00 0.00 O ATOM 991 CG2 THR A 67 1.323 8.413 10.373 1.00 0.00 C ATOM 0 H THR A 67 4.281 10.820 9.956 1.00 0.00 H new ATOM 0 HA THR A 67 3.566 8.938 11.844 1.00 0.00 H new ATOM 0 HB THR A 67 2.702 9.214 8.973 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.096 10.709 10.389 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.436 8.708 9.812 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.594 7.390 10.112 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.113 8.472 11.441 1.00 0.00 H new ATOM 999 N HIS A 68 4.882 7.586 9.130 1.00 0.00 N ATOM 1000 CA HIS A 68 5.338 6.348 8.511 1.00 0.00 C ATOM 1001 C HIS A 68 6.853 6.347 8.364 1.00 0.00 C ATOM 1002 O HIS A 68 7.412 5.667 7.503 1.00 0.00 O ATOM 1003 CB HIS A 68 4.578 6.131 7.204 1.00 0.00 C ATOM 1004 CG HIS A 68 3.116 5.901 7.459 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.591 4.789 8.067 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.083 6.761 7.208 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.260 4.938 8.119 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.906 6.128 7.606 1.00 0.00 N ATOM 0 H HIS A 68 4.998 8.404 8.531 1.00 0.00 H new ATOM 0 HA HIS A 68 5.114 5.493 9.149 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.705 6.999 6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.997 5.275 6.674 1.00 0.00 H new ATOM 0 HD1 HIS A 68 3.120 3.990 8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.164 7.749 6.780 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.571 4.207 8.516 1.00 0.00 H new ATOM 1016 N LYS A 69 7.531 7.082 9.244 1.00 0.00 N ATOM 1017 CA LYS A 69 8.972 7.125 9.357 1.00 0.00 C ATOM 1018 C LYS A 69 9.583 5.738 9.499 1.00 0.00 C ATOM 1019 O LYS A 69 10.639 5.494 8.924 1.00 0.00 O ATOM 1020 CB LYS A 69 9.262 8.010 10.561 1.00 0.00 C ATOM 1021 CG LYS A 69 10.719 8.060 10.978 1.00 0.00 C ATOM 1022 CD LYS A 69 11.544 8.645 9.825 1.00 0.00 C ATOM 1023 CE LYS A 69 12.535 9.624 10.420 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.480 10.136 9.416 1.00 0.00 N ATOM 0 H LYS A 69 7.064 7.685 9.921 1.00 0.00 H new ATOM 0 HA LYS A 69 9.426 7.529 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.928 9.023 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.669 7.657 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.835 8.672 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.075 7.060 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.065 7.853 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.896 9.146 9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.995 10.459 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.089 9.136 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.139 10.802 9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.015 9.344 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.955 10.625 8.663 1.00 0.00 H new ATOM 1038 N ASN A 70 8.917 4.812 10.186 1.00 0.00 N ATOM 1039 CA ASN A 70 9.311 3.421 10.254 1.00 0.00 C ATOM 1040 C ASN A 70 9.519 2.798 8.873 1.00 0.00 C ATOM 1041 O ASN A 70 10.429 1.987 8.687 1.00 0.00 O ATOM 1042 CB ASN A 70 8.208 2.685 11.004 1.00 0.00 C ATOM 1043 CG ASN A 70 8.523 1.208 11.101 1.00 0.00 C ATOM 1044 OD1 ASN A 70 8.210 0.432 10.201 1.00 0.00 O ATOM 1045 ND2 ASN A 70 9.182 0.808 12.166 1.00 0.00 N ATOM 0 H ASN A 70 8.073 5.020 10.719 1.00 0.00 H new ATOM 0 HA ASN A 70 10.271 3.342 10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.098 3.105 12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.256 2.826 10.492 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.448 -0.172 12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.427 1.478 12.896 1.00 0.00 H new ATOM 1052 N LYS A 71 8.684 3.178 7.905 1.00 0.00 N ATOM 1053 CA LYS A 71 8.715 2.684 6.538 1.00 0.00 C ATOM 1054 C LYS A 71 9.691 3.492 5.674 1.00 0.00 C ATOM 1055 O LYS A 71 9.918 3.129 4.526 1.00 0.00 O ATOM 1056 CB LYS A 71 7.293 2.680 5.926 1.00 0.00 C ATOM 1057 CG LYS A 71 6.097 2.460 6.878 1.00 0.00 C ATOM 1058 CD LYS A 71 6.056 1.080 7.544 1.00 0.00 C ATOM 1059 CE LYS A 71 5.110 0.119 6.813 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.114 -1.206 7.468 1.00 0.00 N ATOM 0 H LYS A 71 7.944 3.862 8.062 1.00 0.00 H new ATOM 0 HA LYS A 71 9.076 1.656 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.145 3.633 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.260 1.903 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.123 3.223 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.173 2.606 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.060 0.656 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.735 1.187 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.099 0.527 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.417 0.018 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.469 -1.846 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.077 -1.599 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.799 -1.107 8.454 1.00 0.00 H new ATOM 1074 N ILE A 72 10.260 4.604 6.150 1.00 0.00 N ATOM 1075 CA ILE A 72 11.316 5.298 5.421 1.00 0.00 C ATOM 1076 C ILE A 72 12.625 4.539 5.638 1.00 0.00 C ATOM 1077 O ILE A 72 12.917 4.074 6.742 1.00 0.00 O ATOM 1078 CB ILE A 72 11.338 6.784 5.850 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.225 7.490 5.051 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.686 7.496 5.649 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.856 8.891 5.520 1.00 0.00 C ATOM 0 H ILE A 72 10.004 5.039 7.036 1.00 0.00 H new ATOM 0 HA ILE A 72 11.144 5.312 4.345 1.00 0.00 H new ATOM 0 HB ILE A 72 11.175 6.830 6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.534 7.547 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.330 6.869 5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.603 8.532 5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.455 6.990 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.957 7.471 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.064 9.290 4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.509 8.849 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.731 9.538 5.458 1.00 0.00 H new ATOM 1093 N ASN A 73 13.445 4.463 4.585 1.00 0.00 N ATOM 1094 CA ASN A 73 14.801 3.921 4.697 1.00 0.00 C ATOM 1095 C ASN A 73 15.634 4.841 5.604 1.00 0.00 C ATOM 1096 O ASN A 73 15.883 4.512 6.761 1.00 0.00 O ATOM 1097 CB ASN A 73 15.436 3.617 3.323 1.00 0.00 C ATOM 1098 CG ASN A 73 15.898 4.814 2.513 1.00 0.00 C ATOM 1099 OD1 ASN A 73 17.044 5.232 2.584 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.008 5.491 1.820 1.00 0.00 N ATOM 0 H ASN A 73 13.192 4.770 3.646 1.00 0.00 H new ATOM 0 HA ASN A 73 14.766 2.942 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.292 2.960 3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.712 3.061 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.278 6.355 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.048 5.152 1.753 1.00 0.00 H new ATOM 1107 N LYS A 74 15.993 6.031 5.122 1.00 0.00 N ATOM 1108 CA LYS A 74 16.596 7.157 5.837 1.00 0.00 C ATOM 1109 C LYS A 74 16.485 8.386 4.936 1.00 0.00 C ATOM 1110 O LYS A 74 16.166 9.465 5.428 1.00 0.00 O ATOM 1111 CB LYS A 74 18.069 6.857 6.208 1.00 0.00 C ATOM 1112 CG LYS A 74 18.534 7.509 7.526 1.00 0.00 C ATOM 1113 CD LYS A 74 18.875 9.007 7.466 1.00 0.00 C ATOM 1114 CE LYS A 74 19.396 9.436 8.846 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.727 10.873 8.927 1.00 0.00 N ATOM 0 H LYS A 74 15.858 6.251 4.135 1.00 0.00 H new ATOM 0 HA LYS A 74 16.073 7.335 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.200 5.778 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.713 7.201 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.752 7.367 8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.414 6.972 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.627 9.195 6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.993 9.587 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.644 9.201 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.284 8.852 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.072 11.096 9.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.466 11.099 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.877 11.437 8.725 1.00 0.00 H new ATOM 1129 N ALA A 75 16.656 8.204 3.616 1.00 0.00 N ATOM 1130 CA ALA A 75 16.663 9.290 2.637 1.00 0.00 C ATOM 1131 C ALA A 75 15.327 10.028 2.537 1.00 0.00 C ATOM 1132 O ALA A 75 15.296 11.162 2.064 1.00 0.00 O ATOM 1133 CB ALA A 75 17.015 8.733 1.249 1.00 0.00 C ATOM 0 H ALA A 75 16.795 7.284 3.199 1.00 0.00 H new ATOM 0 HA ALA A 75 17.409 10.006 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.019 9.545 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.001 8.270 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.274 7.988 0.957 1.00 0.00 H new ATOM 1139 N GLY A 76 14.223 9.386 2.933 1.00 0.00 N ATOM 1140 CA GLY A 76 12.872 9.853 2.653 1.00 0.00 C ATOM 1141 C GLY A 76 12.173 8.988 1.608 1.00 0.00 C ATOM 1142 O GLY A 76 10.963 9.102 1.436 1.00 0.00 O ATOM 0 H GLY A 76 14.249 8.516 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.289 9.850 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.910 10.885 2.303 1.00 0.00 H new ATOM 1146 N GLU A 77 12.890 8.086 0.924 1.00 0.00 N ATOM 1147 CA GLU A 77 12.208 7.060 0.148 1.00 0.00 C ATOM 1148 C GLU A 77 11.520 6.107 1.132 1.00 0.00 C ATOM 1149 O GLU A 77 12.178 5.513 1.996 1.00 0.00 O ATOM 1150 CB GLU A 77 13.098 6.364 -0.894 1.00 0.00 C ATOM 1151 CG GLU A 77 13.781 7.359 -1.861 1.00 0.00 C ATOM 1152 CD GLU A 77 13.881 6.851 -3.310 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.983 5.626 -3.518 1.00 0.00 O ATOM 1154 OE2 GLU A 77 13.804 7.678 -4.256 1.00 0.00 O ATOM 0 H GLU A 77 13.909 8.050 0.895 1.00 0.00 H new ATOM 0 HA GLU A 77 11.451 7.528 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.863 5.781 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.495 5.662 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.226 8.297 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.783 7.578 -1.493 1.00 0.00 H new ATOM 1161 N LEU A 78 10.193 6.054 1.032 1.00 0.00 N ATOM 1162 CA LEU A 78 9.276 5.211 1.775 1.00 0.00 C ATOM 1163 C LEU A 78 9.312 3.864 1.078 1.00 0.00 C ATOM 1164 O LEU A 78 8.980 3.810 -0.108 1.00 0.00 O ATOM 1165 CB LEU A 78 7.858 5.811 1.688 1.00 0.00 C ATOM 1166 CG LEU A 78 6.865 5.154 2.667 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.979 5.826 4.034 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.419 5.311 2.203 1.00 0.00 C ATOM 0 H LEU A 78 9.696 6.652 0.372 1.00 0.00 H new ATOM 0 HA LEU A 78 9.546 5.127 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.909 6.880 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.484 5.699 0.670 1.00 0.00 H new ATOM 0 HG LEU A 78 7.115 4.094 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.277 5.362 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.994 5.709 4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.747 6.887 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.752 4.834 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.174 6.370 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.297 4.841 1.227 1.00 0.00 H new ATOM 1180 N VAL A 79 9.743 2.814 1.760 1.00 0.00 N ATOM 1181 CA VAL A 79 9.811 1.460 1.249 1.00 0.00 C ATOM 1182 C VAL A 79 9.047 0.571 2.219 1.00 0.00 C ATOM 1183 O VAL A 79 9.376 0.498 3.403 1.00 0.00 O ATOM 1184 CB VAL A 79 11.260 1.037 0.908 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.369 1.831 1.606 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.523 -0.472 1.022 1.00 0.00 C ATOM 0 H VAL A 79 10.068 2.889 2.724 1.00 0.00 H new ATOM 0 HA VAL A 79 9.323 1.363 0.279 1.00 0.00 H new ATOM 0 HB VAL A 79 11.318 1.305 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.341 1.450 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.288 2.884 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.268 1.725 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.562 -0.681 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.328 -0.799 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.866 -1.009 0.338 1.00 0.00 H new ATOM 1196 N LEU A 80 7.998 -0.090 1.736 1.00 0.00 N ATOM 1197 CA LEU A 80 7.242 -1.101 2.465 1.00 0.00 C ATOM 1198 C LEU A 80 7.061 -2.321 1.578 1.00 0.00 C ATOM 1199 O LEU A 80 7.297 -2.263 0.368 1.00 0.00 O ATOM 1200 CB LEU A 80 5.901 -0.568 3.011 1.00 0.00 C ATOM 1201 CG LEU A 80 4.709 -0.504 2.033 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.581 0.279 2.700 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.991 0.226 0.725 1.00 0.00 C ATOM 0 H LEU A 80 7.640 0.070 0.794 1.00 0.00 H new ATOM 0 HA LEU A 80 7.811 -1.387 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.610 -1.192 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.071 0.436 3.400 1.00 0.00 H new ATOM 0 HG LEU A 80 4.470 -1.542 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.728 0.336 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.282 -0.225 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.926 1.286 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.095 0.219 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.277 1.256 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.803 -0.274 0.197 1.00 0.00 H new ATOM 1215 N THR A 81 6.637 -3.426 2.181 1.00 0.00 N ATOM 1216 CA THR A 81 6.438 -4.686 1.489 1.00 0.00 C ATOM 1217 C THR A 81 5.117 -5.264 1.988 1.00 0.00 C ATOM 1218 O THR A 81 4.729 -5.005 3.131 1.00 0.00 O ATOM 1219 CB THR A 81 7.671 -5.599 1.678 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.690 -6.279 2.918 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.008 -4.852 1.614 1.00 0.00 C ATOM 0 H THR A 81 6.420 -3.468 3.177 1.00 0.00 H new ATOM 0 HA THR A 81 6.358 -4.568 0.408 1.00 0.00 H new ATOM 0 HB THR A 81 7.568 -6.296 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.605 -6.292 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.826 -5.558 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.109 -4.369 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.041 -4.097 2.399 1.00 0.00 H new ATOM 1229 N SER A 82 4.399 -5.994 1.148 1.00 0.00 N ATOM 1230 CA SER A 82 3.216 -6.739 1.523 1.00 0.00 C ATOM 1231 C SER A 82 3.255 -8.022 0.711 1.00 0.00 C ATOM 1232 O SER A 82 3.431 -7.962 -0.507 1.00 0.00 O ATOM 1233 CB SER A 82 1.973 -5.893 1.232 1.00 0.00 C ATOM 1234 OG SER A 82 1.002 -6.130 2.232 1.00 0.00 O ATOM 0 H SER A 82 4.634 -6.084 0.159 1.00 0.00 H new ATOM 0 HA SER A 82 3.182 -6.979 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.236 -4.836 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.570 -6.144 0.251 1.00 0.00 H new ATOM 0 HG SER A 82 0.425 -6.873 1.958 1.00 0.00 H new ATOM 1240 N GLU A 83 3.159 -9.178 1.361 1.00 0.00 N ATOM 1241 CA GLU A 83 3.101 -10.444 0.657 1.00 0.00 C ATOM 1242 C GLU A 83 2.504 -11.519 1.560 1.00 0.00 C ATOM 1243 O GLU A 83 2.851 -11.594 2.745 1.00 0.00 O ATOM 1244 CB GLU A 83 4.496 -10.819 0.129 1.00 0.00 C ATOM 1245 CG GLU A 83 5.592 -10.949 1.197 1.00 0.00 C ATOM 1246 CD GLU A 83 5.793 -12.369 1.728 1.00 0.00 C ATOM 1247 OE1 GLU A 83 5.778 -13.335 0.934 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.035 -12.516 2.948 1.00 0.00 O ATOM 0 H GLU A 83 3.120 -9.259 2.377 1.00 0.00 H new ATOM 0 HA GLU A 83 2.445 -10.355 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.421 -11.765 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.806 -10.066 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.534 -10.594 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.347 -10.293 2.033 1.00 0.00 H new ATOM 1255 N SER A 84 1.610 -12.335 0.991 1.00 0.00 N ATOM 1256 CA SER A 84 1.033 -13.565 1.536 1.00 0.00 C ATOM 1257 C SER A 84 0.166 -14.279 0.473 1.00 0.00 C ATOM 1258 O SER A 84 -0.842 -14.914 0.806 1.00 0.00 O ATOM 1259 CB SER A 84 0.260 -13.279 2.839 1.00 0.00 C ATOM 1260 OG SER A 84 1.167 -13.192 3.920 1.00 0.00 O ATOM 0 H SER A 84 1.242 -12.134 0.061 1.00 0.00 H new ATOM 0 HA SER A 84 1.842 -14.248 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.299 -12.348 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.467 -14.070 3.024 1.00 0.00 H new ATOM 0 HG SER A 84 2.031 -12.862 3.596 1.00 0.00 H new ATOM 1266 N SER A 85 0.550 -14.196 -0.803 1.00 0.00 N ATOM 1267 CA SER A 85 0.046 -15.030 -1.889 1.00 0.00 C ATOM 1268 C SER A 85 1.212 -15.385 -2.821 1.00 0.00 C ATOM 1269 O SER A 85 2.271 -14.770 -2.735 1.00 0.00 O ATOM 1270 CB SER A 85 -1.042 -14.286 -2.674 1.00 0.00 C ATOM 1271 OG SER A 85 -2.159 -13.909 -1.892 1.00 0.00 O ATOM 0 H SER A 85 1.246 -13.520 -1.117 1.00 0.00 H new ATOM 0 HA SER A 85 -0.391 -15.939 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.606 -13.393 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.382 -14.919 -3.493 1.00 0.00 H new ATOM 0 HG SER A 85 -2.809 -13.440 -2.455 1.00 0.00 H new ATOM 1277 N ARG A 86 1.050 -16.328 -3.752 1.00 0.00 N ATOM 1278 CA ARG A 86 2.091 -16.636 -4.755 1.00 0.00 C ATOM 1279 C ARG A 86 2.163 -15.646 -5.928 1.00 0.00 C ATOM 1280 O ARG A 86 3.038 -15.758 -6.787 1.00 0.00 O ATOM 1281 CB ARG A 86 1.875 -18.053 -5.296 1.00 0.00 C ATOM 1282 CG ARG A 86 0.446 -18.324 -5.786 1.00 0.00 C ATOM 1283 CD ARG A 86 0.448 -19.399 -6.868 1.00 0.00 C ATOM 1284 NE ARG A 86 -0.915 -19.865 -7.166 1.00 0.00 N ATOM 1285 CZ ARG A 86 -1.575 -20.850 -6.546 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -0.981 -21.572 -5.598 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -2.829 -21.111 -6.887 1.00 0.00 N ATOM 0 H ARG A 86 0.208 -16.897 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 86 3.044 -16.550 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.569 -18.226 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.122 -18.771 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.177 -18.642 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.009 -17.406 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.905 -19.003 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.059 -20.241 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.407 -19.389 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.014 -21.376 -5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.493 -22.321 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.284 -20.563 -7.617 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.339 -21.860 -6.419 1.00 0.00 H new ATOM 1301 N TYR A 87 1.194 -14.744 -6.030 1.00 0.00 N ATOM 1302 CA TYR A 87 1.038 -13.815 -7.145 1.00 0.00 C ATOM 1303 C TYR A 87 2.020 -12.642 -7.035 1.00 0.00 C ATOM 1304 O TYR A 87 2.771 -12.526 -6.069 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.413 -13.324 -7.162 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.436 -14.428 -6.965 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.436 -15.526 -7.841 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.292 -14.427 -5.845 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.223 -16.648 -7.550 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.089 -15.548 -5.554 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.027 -16.682 -6.393 1.00 0.00 C ATOM 1312 OH TYR A 87 -3.697 -17.822 -6.084 1.00 0.00 O ATOM 0 H TYR A 87 0.472 -14.635 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 87 1.265 -14.325 -8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.543 -12.577 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.607 -12.827 -8.112 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.831 -15.505 -8.736 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.336 -13.558 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.213 -17.496 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.744 -15.542 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.206 -17.688 -5.257 1.00 0.00 H new ATOM 1322 N GLN A 88 2.001 -11.750 -8.021 1.00 0.00 N ATOM 1323 CA GLN A 88 2.914 -10.625 -8.147 1.00 0.00 C ATOM 1324 C GLN A 88 2.085 -9.371 -7.893 1.00 0.00 C ATOM 1325 O GLN A 88 2.139 -8.813 -6.797 1.00 0.00 O ATOM 1326 CB GLN A 88 3.573 -10.627 -9.543 1.00 0.00 C ATOM 1327 CG GLN A 88 4.589 -11.752 -9.800 1.00 0.00 C ATOM 1328 CD GLN A 88 4.016 -13.152 -9.573 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.064 -13.587 -10.223 1.00 0.00 O ATOM 1330 NE2 GLN A 88 4.521 -13.863 -8.580 1.00 0.00 N ATOM 0 H GLN A 88 1.323 -11.795 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 88 3.734 -10.677 -7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.787 -10.694 -10.295 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.074 -9.670 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.951 -11.677 -10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.450 -11.610 -9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.309 -13.501 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.123 -14.774 -8.351 1.00 0.00 H new ATOM 1339 N PHE A 89 1.248 -8.996 -8.865 1.00 0.00 N ATOM 1340 CA PHE A 89 0.335 -7.869 -8.782 1.00 0.00 C ATOM 1341 C PHE A 89 -0.595 -8.007 -7.573 1.00 0.00 C ATOM 1342 O PHE A 89 -0.847 -7.008 -6.920 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.420 -7.685 -10.108 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.699 -6.874 -10.010 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.668 -5.557 -9.511 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.927 -7.440 -10.404 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.858 -4.824 -9.378 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.116 -6.700 -10.277 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.083 -5.395 -9.760 1.00 0.00 C ATOM 0 H PHE A 89 1.191 -9.489 -9.756 1.00 0.00 H new ATOM 0 HA PHE A 89 0.910 -6.957 -8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.245 -7.202 -10.824 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.661 -8.669 -10.511 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.726 -5.110 -9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.956 -8.443 -10.804 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.831 -3.820 -8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.057 -7.137 -10.578 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.998 -4.831 -9.656 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.067 -9.202 -7.193 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.948 -9.333 -6.020 1.00 0.00 C ATOM 1361 C ARG A 90 -1.266 -8.867 -4.729 1.00 0.00 C ATOM 1362 O ARG A 90 -1.887 -8.193 -3.915 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.432 -10.785 -5.876 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.855 -10.929 -5.321 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.964 -10.770 -3.797 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.120 -9.938 -3.426 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.387 -10.350 -3.320 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.725 -11.607 -3.589 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.324 -9.497 -2.938 1.00 0.00 N ATOM 0 H ARG A 90 -0.859 -10.079 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.807 -8.683 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.385 -11.269 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.744 -11.321 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.494 -10.186 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.243 -11.909 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.056 -11.752 -3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.050 -10.319 -3.410 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.937 -8.954 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.012 -12.275 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.697 -11.903 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.078 -8.530 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.292 -9.806 -2.856 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.008 -9.258 -4.519 1.00 0.00 N ATOM 1384 CA ASN A 91 0.745 -8.907 -3.315 1.00 0.00 C ATOM 1385 C ASN A 91 1.080 -7.418 -3.344 1.00 0.00 C ATOM 1386 O ASN A 91 0.851 -6.688 -2.380 1.00 0.00 O ATOM 1387 CB ASN A 91 2.035 -9.735 -3.254 1.00 0.00 C ATOM 1388 CG ASN A 91 1.825 -11.148 -2.738 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.122 -11.395 -1.762 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.449 -12.114 -3.369 1.00 0.00 N ATOM 0 H ASN A 91 0.518 -9.828 -5.181 1.00 0.00 H new ATOM 0 HA ASN A 91 0.144 -9.123 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.474 -9.782 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.754 -9.226 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.352 -13.078 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.031 -11.901 -4.179 1.00 0.00 H new ATOM 1397 N LEU A 92 1.592 -6.965 -4.489 1.00 0.00 N ATOM 1398 CA LEU A 92 1.852 -5.571 -4.816 1.00 0.00 C ATOM 1399 C LEU A 92 0.603 -4.719 -4.563 1.00 0.00 C ATOM 1400 O LEU A 92 0.734 -3.636 -4.004 1.00 0.00 O ATOM 1401 CB LEU A 92 2.291 -5.547 -6.288 1.00 0.00 C ATOM 1402 CG LEU A 92 2.440 -4.150 -6.904 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.591 -3.422 -6.223 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.720 -4.280 -8.403 1.00 0.00 C ATOM 0 H LEU A 92 1.848 -7.596 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 92 2.634 -5.144 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.245 -6.068 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.566 -6.110 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 92 1.519 -3.584 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.701 -2.428 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.384 -3.331 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.513 -3.985 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.826 -3.287 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.641 -4.843 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.893 -4.802 -8.884 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.593 -5.199 -4.915 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.849 -4.488 -4.737 1.00 0.00 C ATOM 1418 C ALA A 93 -2.079 -4.140 -3.271 1.00 0.00 C ATOM 1419 O ALA A 93 -2.501 -3.017 -3.010 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.035 -5.274 -5.306 1.00 0.00 C ATOM 0 H ALA A 93 -0.711 -6.118 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.775 -3.558 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.954 -4.708 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.884 -5.439 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.112 -6.235 -4.798 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.753 -5.018 -2.311 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.873 -4.674 -0.918 1.00 0.00 C ATOM 1428 C GLU A 94 -0.848 -3.636 -0.506 1.00 0.00 C ATOM 1429 O GLU A 94 -1.122 -2.825 0.369 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.645 -5.905 -0.059 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.516 -5.848 1.188 1.00 0.00 C ATOM 1432 CD GLU A 94 -4.028 -5.900 0.920 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -4.430 -6.398 -0.155 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -4.822 -5.413 1.764 1.00 0.00 O ATOM 0 H GLU A 94 -1.408 -5.961 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.876 -4.272 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.876 -6.804 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.595 -5.969 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.248 -6.679 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.289 -4.931 1.731 1.00 0.00 H new ATOM 1441 N CYS A 95 0.336 -3.647 -1.120 1.00 0.00 N ATOM 1442 CA CYS A 95 1.314 -2.604 -0.882 1.00 0.00 C ATOM 1443 C CYS A 95 0.654 -1.256 -1.223 1.00 0.00 C ATOM 1444 O CYS A 95 0.756 -0.312 -0.439 1.00 0.00 O ATOM 1445 CB CYS A 95 2.595 -2.862 -1.697 1.00 0.00 C ATOM 1446 SG CYS A 95 3.243 -4.548 -1.535 1.00 0.00 S ATOM 0 H CYS A 95 0.633 -4.365 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 95 1.624 -2.591 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.391 -2.661 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.363 -2.156 -1.381 1.00 0.00 H new ATOM 0 HG CYS A 95 2.318 -5.402 -1.861 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.078 -1.194 -2.345 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.825 -0.015 -2.786 1.00 0.00 C ATOM 1454 C LEU A 96 -2.020 0.260 -1.860 1.00 0.00 C ATOM 1455 O LEU A 96 -2.301 1.419 -1.557 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.299 -0.124 -4.249 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.330 -0.725 -5.286 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.888 -0.510 -6.695 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.118 -0.212 -5.213 1.00 0.00 C ATOM 0 H LEU A 96 -0.167 -1.984 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.132 0.825 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.211 -0.721 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.569 0.876 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.267 -1.785 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.202 -0.936 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.858 -0.999 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.002 0.558 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.715 -0.698 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.130 0.867 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.536 -0.441 -4.233 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.702 -0.777 -1.364 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.789 -0.644 -0.400 1.00 0.00 C ATOM 1473 C GLN A 97 -3.256 -0.023 0.886 1.00 0.00 C ATOM 1474 O GLN A 97 -3.939 0.830 1.454 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.461 -2.002 -0.127 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.562 -1.988 0.949 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.772 -1.112 0.620 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.791 -1.594 0.123 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.711 0.176 0.911 1.00 0.00 N ATOM 0 H GLN A 97 -2.509 -1.743 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.552 0.012 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.891 -2.369 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.693 -2.715 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.905 -3.010 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.128 -1.645 1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.863 0.566 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.512 0.780 0.724 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.049 -0.397 1.337 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.483 0.224 2.522 1.00 0.00 C ATOM 1490 C LYS A 98 -1.236 1.657 2.156 1.00 0.00 C ATOM 1491 O LYS A 98 -1.770 2.493 2.849 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.194 -0.395 3.065 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.300 -1.907 3.339 1.00 0.00 C ATOM 1494 CD LYS A 98 0.990 -2.721 3.120 1.00 0.00 C ATOM 1495 CE LYS A 98 1.214 -3.541 4.389 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.168 -4.662 4.296 1.00 0.00 N ATOM 0 H LYS A 98 -1.464 -1.112 0.903 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.195 0.082 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.611 -0.220 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.082 0.114 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.626 -2.048 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.080 -2.319 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.894 -3.372 2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.837 -2.061 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.558 -2.866 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.252 -3.939 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.324 -5.065 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.782 -5.395 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.072 -4.318 3.913 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.483 1.954 1.091 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.220 3.304 0.620 1.00 0.00 C ATOM 1512 C ILE A 99 -1.475 4.185 0.677 1.00 0.00 C ATOM 1513 O ILE A 99 -1.385 5.295 1.201 1.00 0.00 O ATOM 1514 CB ILE A 99 0.422 3.202 -0.779 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.883 2.732 -0.611 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.331 4.500 -1.585 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.474 2.110 -1.879 1.00 0.00 C ATOM 0 H ILE A 99 -0.031 1.238 0.523 1.00 0.00 H new ATOM 0 HA ILE A 99 0.484 3.812 1.279 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.140 2.474 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.497 3.581 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.931 2.003 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.802 4.358 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.716 4.769 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.843 5.299 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.502 1.803 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.883 1.241 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.458 2.843 -2.685 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.625 3.711 0.186 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.892 4.431 0.214 1.00 0.00 C ATOM 1531 C ARG A 100 -4.298 4.690 1.652 1.00 0.00 C ATOM 1532 O ARG A 100 -4.610 5.822 1.992 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.980 3.618 -0.501 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.806 3.571 -2.026 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.467 2.335 -2.647 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.890 2.213 -2.268 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.601 1.080 -2.199 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.092 -0.086 -2.577 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -8.841 1.108 -1.730 1.00 0.00 N ATOM 0 H ARG A 100 -2.697 2.793 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.772 5.383 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.977 2.600 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.955 4.046 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.236 4.471 -2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.743 3.573 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.385 2.388 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.931 1.441 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.379 3.077 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.137 -0.135 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.656 -0.933 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.250 1.990 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.385 0.247 -1.676 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.263 3.672 2.505 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.649 3.794 3.903 1.00 0.00 C ATOM 1555 C ASP A 101 -3.697 4.691 4.697 1.00 0.00 C ATOM 1556 O ASP A 101 -4.136 5.479 5.527 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.769 2.413 4.564 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.245 2.108 4.805 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.778 2.450 5.886 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.894 1.507 3.918 1.00 0.00 O ATOM 0 H ASP A 101 -3.964 2.733 2.242 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.628 4.274 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.326 1.649 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.222 2.397 5.507 1.00 0.00 H new ATOM 1565 N MET A 102 -2.399 4.615 4.404 1.00 0.00 N ATOM 1566 CA MET A 102 -1.320 5.427 4.961 1.00 0.00 C ATOM 1567 C MET A 102 -1.499 6.897 4.555 1.00 0.00 C ATOM 1568 O MET A 102 -0.980 7.804 5.203 1.00 0.00 O ATOM 1569 CB MET A 102 0.037 4.898 4.449 1.00 0.00 C ATOM 1570 CG MET A 102 0.315 3.409 4.770 1.00 0.00 C ATOM 1571 SD MET A 102 1.940 2.984 5.438 1.00 0.00 S ATOM 1572 CE MET A 102 2.903 3.523 4.020 1.00 0.00 C ATOM 0 H MET A 102 -2.051 3.938 3.725 1.00 0.00 H new ATOM 0 HA MET A 102 -1.346 5.362 6.049 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.081 5.037 3.369 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.834 5.503 4.881 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.439 3.073 5.482 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.168 2.835 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.943 3.224 4.151 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.505 3.065 3.115 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.846 4.608 3.933 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.229 7.151 3.467 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.623 8.479 3.027 1.00 0.00 C ATOM 1584 C ILE A 103 -3.952 8.840 3.694 1.00 0.00 C ATOM 1585 O ILE A 103 -4.121 9.976 4.122 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.636 8.514 1.478 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.174 8.485 0.974 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.388 9.720 0.889 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.990 7.973 -0.450 1.00 0.00 C ATOM 0 H ILE A 103 -2.570 6.411 2.853 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.913 9.247 3.333 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.185 7.637 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.765 9.493 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.587 7.860 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.353 9.674 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.426 9.698 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.918 10.643 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.069 7.991 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.363 6.951 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.544 8.610 -1.140 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.887 7.898 3.818 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.194 8.124 4.403 1.00 0.00 C ATOM 1603 C ALA A 104 -6.065 8.544 5.866 1.00 0.00 C ATOM 1604 O ALA A 104 -6.682 9.536 6.263 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.056 6.868 4.258 1.00 0.00 C ATOM 0 H ALA A 104 -4.746 6.937 3.505 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.685 8.938 3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.036 7.046 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.173 6.627 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.574 6.035 4.769 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.251 7.832 6.649 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.993 8.152 8.048 1.00 0.00 C ATOM 1613 C GLU A 105 -4.402 9.559 8.163 1.00 0.00 C ATOM 1614 O GLU A 105 -4.793 10.352 9.019 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.145 7.049 8.709 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.625 7.111 8.511 1.00 0.00 C ATOM 1617 CD GLU A 105 -1.904 6.070 9.379 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -1.951 4.852 9.072 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.390 6.430 10.464 1.00 0.00 O ATOM 0 H GLU A 105 -4.748 7.007 6.322 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.928 8.172 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.346 7.067 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.494 6.087 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.386 6.940 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.264 8.109 8.762 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.505 9.889 7.236 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.787 11.143 7.179 1.00 0.00 C ATOM 1628 C ALA A 106 -3.636 12.310 6.654 1.00 0.00 C ATOM 1629 O ALA A 106 -3.189 13.455 6.730 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.555 10.916 6.312 1.00 0.00 C ATOM 0 H ALA A 106 -3.254 9.257 6.476 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.508 11.440 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.983 11.841 6.243 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.935 10.139 6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.865 10.605 5.314 1.00 0.00 H new ATOM 1636 N SER A 107 -4.826 12.039 6.114 1.00 0.00 N ATOM 1637 CA SER A 107 -5.718 13.007 5.478 1.00 0.00 C ATOM 1638 C SER A 107 -6.955 13.269 6.359 1.00 0.00 C ATOM 1639 O SER A 107 -7.661 14.258 6.145 1.00 0.00 O ATOM 1640 CB SER A 107 -6.060 12.441 4.087 1.00 0.00 C ATOM 1641 OG SER A 107 -6.683 13.338 3.185 1.00 0.00 O ATOM 0 H SER A 107 -5.211 11.094 6.109 1.00 0.00 H new ATOM 0 HA SER A 107 -5.247 13.983 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.140 12.078 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.713 11.578 4.219 1.00 0.00 H new ATOM 0 HG SER A 107 -6.855 12.881 2.335 1.00 0.00 H new