USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 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 Single : A 15 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.41) USER MOD Single : A 26 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.047) USER MOD Single : A 29 SER OG : rot -162:sc= -0.723 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -116:sc= 0.547 USER MOD Single : A 38 SER OG : rot 180:sc= -0.669 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.168 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 55 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : A 57 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.24) USER MOD Single : A 60 ASN : amide:sc= 0.406 K(o=0.41,f=-3.7!) USER MOD Single : A 65 GLN : amide:sc= -2.03! K(o=-2!,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0532 USER MOD Single : A 70 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-3.3!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= -0.547 (180deg=-1.38) USER MOD Single : A 82 SER OG : rot 114:sc= 0.615 USER MOD Single : A 84 THR OG1 : rot -23:sc= 0.453 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.766 K(o=-0.77,f=-5.7!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -154:sc= 0.194 (180deg=-1.11!) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.966 -7.139 10.287 1.00 0.00 N ATOM 174 CA VAL A 14 -15.253 -5.936 9.514 1.00 0.00 C ATOM 175 C VAL A 14 -16.284 -6.215 8.426 1.00 0.00 C ATOM 176 O VAL A 14 -16.263 -7.270 7.792 1.00 0.00 O ATOM 177 CB VAL A 14 -13.977 -5.369 8.864 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.317 -4.199 7.954 1.00 0.00 C ATOM 179 CG2 VAL A 14 -12.976 -4.952 9.932 1.00 0.00 C ATOM 0 HA VAL A 14 -15.655 -5.200 10.211 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.521 -6.150 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.403 -3.811 7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.995 -4.534 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.797 -3.412 8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.080 -4.554 9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.420 -4.186 10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.710 -5.817 10.539 1.00 0.00 H new ATOM 189 N HIS A 15 -17.186 -5.262 8.215 1.00 0.00 N ATOM 190 CA HIS A 15 -18.225 -5.404 7.202 1.00 0.00 C ATOM 191 C HIS A 15 -18.306 -4.156 6.327 1.00 0.00 C ATOM 192 O HIS A 15 -18.667 -3.078 6.800 1.00 0.00 O ATOM 193 CB HIS A 15 -19.579 -5.666 7.863 1.00 0.00 C ATOM 194 CG HIS A 15 -19.786 -7.096 8.257 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.260 -8.156 7.549 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.465 -7.639 9.294 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.608 -9.288 8.132 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.340 -9.003 9.194 1.00 0.00 N ATOM 0 H HIS A 15 -17.218 -4.383 8.732 1.00 0.00 H new ATOM 0 HA HIS A 15 -17.967 -6.253 6.570 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.670 -5.037 8.749 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.372 -5.368 7.178 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.005 -7.100 10.058 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.340 -10.279 7.797 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.746 -9.685 9.835 1.00 0.00 H new ATOM 206 N ILE A 16 -17.967 -4.310 5.052 1.00 0.00 N ATOM 207 CA ILE A 16 -18.002 -3.196 4.113 1.00 0.00 C ATOM 208 C ILE A 16 -19.419 -2.655 3.954 1.00 0.00 C ATOM 209 O ILE A 16 -20.210 -3.180 3.170 1.00 0.00 O ATOM 210 CB ILE A 16 -17.464 -3.608 2.730 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.025 -4.114 2.848 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.543 -2.438 1.761 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.045 -3.049 3.291 1.00 0.00 C ATOM 0 H ILE A 16 -17.665 -5.195 4.645 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.362 -2.416 4.525 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.082 -4.417 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.996 -4.941 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.707 -4.510 1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.159 -2.745 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.581 -2.120 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.946 -1.609 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.045 -3.478 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.045 -2.232 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.338 -2.669 4.270 1.00 0.00 H new ATOM 225 N ILE A 17 -19.731 -1.601 4.701 1.00 0.00 N ATOM 226 CA ILE A 17 -21.051 -0.987 4.641 1.00 0.00 C ATOM 227 C ILE A 17 -21.262 -0.266 3.314 1.00 0.00 C ATOM 228 O ILE A 17 -22.176 -0.594 2.558 1.00 0.00 O ATOM 229 CB ILE A 17 -21.260 0.012 5.794 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.833 -0.613 7.124 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.715 0.456 5.854 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.034 0.300 8.313 1.00 0.00 C ATOM 0 H ILE A 17 -19.087 -1.155 5.355 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.779 -1.793 4.733 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.640 0.890 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.398 -1.532 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.781 -0.892 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.846 1.162 6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.988 0.936 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.354 -0.412 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.710 -0.209 9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.448 1.209 8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.089 0.559 8.399 1.00 0.00 H new ATOM 244 N GLU A 18 -20.410 0.716 3.038 1.00 0.00 N ATOM 245 CA GLU A 18 -20.503 1.482 1.801 1.00 0.00 C ATOM 246 C GLU A 18 -19.147 1.557 1.104 1.00 0.00 C ATOM 247 O GLU A 18 -18.376 2.491 1.321 1.00 0.00 O ATOM 248 CB GLU A 18 -21.020 2.893 2.087 1.00 0.00 C ATOM 249 CG GLU A 18 -22.279 2.920 2.938 1.00 0.00 C ATOM 250 CD GLU A 18 -23.046 4.220 2.804 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.789 4.965 1.835 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.905 4.493 3.669 1.00 0.00 O ATOM 0 H GLU A 18 -19.648 1.000 3.654 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.204 0.973 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.239 3.462 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.220 3.396 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.925 2.090 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.010 2.767 3.983 1.00 0.00 H new ATOM 259 N ASP A 19 -18.865 0.565 0.266 1.00 0.00 N ATOM 260 CA ASP A 19 -17.603 0.518 -0.464 1.00 0.00 C ATOM 261 C ASP A 19 -17.395 1.794 -1.273 1.00 0.00 C ATOM 262 O ASP A 19 -18.356 2.442 -1.689 1.00 0.00 O ATOM 263 CB ASP A 19 -17.571 -0.699 -1.391 1.00 0.00 C ATOM 264 CG ASP A 19 -16.486 -0.595 -2.445 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.311 -0.405 -2.069 1.00 0.00 O ATOM 266 OD2 ASP A 19 -16.813 -0.703 -3.646 1.00 0.00 O ATOM 0 H ASP A 19 -19.492 -0.216 0.076 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.795 0.434 0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.412 -1.600 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.539 -0.805 -1.880 1.00 0.00 H new ATOM 271 N LEU A 20 -16.134 2.151 -1.491 1.00 0.00 N ATOM 272 CA LEU A 20 -15.798 3.351 -2.249 1.00 0.00 C ATOM 273 C LEU A 20 -16.532 3.374 -3.586 1.00 0.00 C ATOM 274 O LEU A 20 -17.129 2.378 -3.993 1.00 0.00 O ATOM 275 CB LEU A 20 -14.288 3.426 -2.482 1.00 0.00 C ATOM 276 CG LEU A 20 -13.410 3.292 -1.237 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.213 2.398 -1.523 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.953 4.662 -0.757 1.00 0.00 C ATOM 0 H LEU A 20 -15.327 1.626 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.113 4.218 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.009 2.641 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.061 4.378 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.001 2.831 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.599 2.314 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.561 1.408 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.620 2.830 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.329 4.548 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.379 5.150 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.823 5.271 -0.512 1.00 0.00 H new ATOM 290 N GLU A 21 -16.480 4.515 -4.265 1.00 0.00 N ATOM 291 CA GLU A 21 -17.139 4.666 -5.557 1.00 0.00 C ATOM 292 C GLU A 21 -16.115 4.874 -6.669 1.00 0.00 C ATOM 293 O GLU A 21 -15.836 3.963 -7.449 1.00 0.00 O ATOM 294 CB GLU A 21 -18.117 5.842 -5.522 1.00 0.00 C ATOM 295 CG GLU A 21 -19.267 5.650 -4.548 1.00 0.00 C ATOM 296 CD GLU A 21 -20.516 6.402 -4.964 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.381 7.482 -5.575 1.00 0.00 O ATOM 298 OE2 GLU A 21 -21.628 5.911 -4.678 1.00 0.00 O ATOM 0 H GLU A 21 -15.988 5.348 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.692 3.750 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.573 6.748 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.521 5.997 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.497 4.588 -4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.959 5.985 -3.557 1.00 0.00 H new ATOM 305 N ASP A 22 -15.560 6.079 -6.736 1.00 0.00 N ATOM 306 CA ASP A 22 -14.566 6.408 -7.751 1.00 0.00 C ATOM 307 C ASP A 22 -14.102 7.854 -7.609 1.00 0.00 C ATOM 308 O ASP A 22 -14.749 8.662 -6.942 1.00 0.00 O ATOM 309 CB ASP A 22 -15.140 6.178 -9.150 1.00 0.00 C ATOM 310 CG ASP A 22 -16.566 6.678 -9.280 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.495 5.924 -8.923 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.752 7.825 -9.738 1.00 0.00 O ATOM 0 H ASP A 22 -15.782 6.844 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.706 5.754 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.513 6.683 -9.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.109 5.113 -9.382 1.00 0.00 H new ATOM 317 N VAL A 23 -12.977 8.174 -8.240 1.00 0.00 N ATOM 318 CA VAL A 23 -12.426 9.523 -8.185 1.00 0.00 C ATOM 319 C VAL A 23 -11.678 9.864 -9.468 1.00 0.00 C ATOM 320 O VAL A 23 -11.031 9.006 -10.069 1.00 0.00 O ATOM 321 CB VAL A 23 -11.472 9.691 -6.987 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.876 11.090 -6.971 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.199 9.396 -5.683 1.00 0.00 C ATOM 0 H VAL A 23 -12.429 7.517 -8.796 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.269 10.204 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.656 8.976 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.205 11.190 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.319 11.259 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.676 11.826 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.511 9.519 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.036 10.085 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.572 8.372 -5.698 1.00 0.00 H new ATOM 333 N ASP A 24 -11.769 11.123 -9.883 1.00 0.00 N ATOM 334 CA ASP A 24 -11.099 11.579 -11.095 1.00 0.00 C ATOM 335 C ASP A 24 -10.766 13.065 -11.005 1.00 0.00 C ATOM 336 O ASP A 24 -11.648 13.918 -11.111 1.00 0.00 O ATOM 337 CB ASP A 24 -11.977 11.314 -12.319 1.00 0.00 C ATOM 338 CG ASP A 24 -13.340 11.968 -12.207 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.229 11.378 -11.559 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.518 13.069 -12.769 1.00 0.00 O ATOM 0 H ASP A 24 -12.300 11.846 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.168 11.022 -11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.472 11.684 -13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.103 10.239 -12.446 1.00 0.00 H new ATOM 345 N VAL A 25 -9.487 13.369 -10.808 1.00 0.00 N ATOM 346 CA VAL A 25 -9.037 14.752 -10.703 1.00 0.00 C ATOM 347 C VAL A 25 -7.625 14.913 -11.256 1.00 0.00 C ATOM 348 O VAL A 25 -6.883 13.940 -11.381 1.00 0.00 O ATOM 349 CB VAL A 25 -9.064 15.242 -9.243 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.439 15.023 -8.632 1.00 0.00 C ATOM 351 CG2 VAL A 25 -7.989 14.541 -8.426 1.00 0.00 C ATOM 0 H VAL A 25 -8.744 12.676 -10.718 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.727 15.355 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.855 16.312 -9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.439 15.375 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.184 15.576 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.681 13.960 -8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.022 14.899 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.164 13.465 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.009 14.756 -8.853 1.00 0.00 H new ATOM 361 N GLN A 26 -7.263 16.149 -11.585 1.00 0.00 N ATOM 362 CA GLN A 26 -5.939 16.438 -12.125 1.00 0.00 C ATOM 363 C GLN A 26 -4.850 16.074 -11.121 1.00 0.00 C ATOM 364 O GLN A 26 -4.971 16.360 -9.930 1.00 0.00 O ATOM 365 CB GLN A 26 -5.830 17.917 -12.501 1.00 0.00 C ATOM 366 CG GLN A 26 -5.669 18.838 -11.303 1.00 0.00 C ATOM 367 CD GLN A 26 -6.420 20.145 -11.466 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.844 21.226 -11.337 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.713 20.053 -11.752 1.00 0.00 N ATOM 0 H GLN A 26 -7.867 16.965 -11.487 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.799 15.832 -13.020 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.980 18.052 -13.169 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.721 18.209 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.025 18.328 -10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.610 19.048 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.150 19.136 -11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.270 20.899 -11.874 1.00 0.00 H new ATOM 378 N GLU A 27 -3.788 15.442 -11.610 1.00 0.00 N ATOM 379 CA GLU A 27 -2.679 15.039 -10.754 1.00 0.00 C ATOM 380 C GLU A 27 -2.179 16.216 -9.921 1.00 0.00 C ATOM 381 O GLU A 27 -2.229 17.365 -10.357 1.00 0.00 O ATOM 382 CB GLU A 27 -1.534 14.474 -11.598 1.00 0.00 C ATOM 383 CG GLU A 27 -0.618 15.541 -12.174 1.00 0.00 C ATOM 384 CD GLU A 27 0.659 15.707 -11.374 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.611 14.933 -11.607 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.707 16.612 -10.514 1.00 0.00 O ATOM 0 H GLU A 27 -3.672 15.198 -12.594 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.039 14.264 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.944 13.793 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.952 13.886 -12.415 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.367 15.282 -13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.149 16.492 -12.205 1.00 0.00 H new ATOM 393 N GLY A 28 -1.696 15.919 -8.718 1.00 0.00 N ATOM 394 CA GLY A 28 -1.194 16.962 -7.842 1.00 0.00 C ATOM 395 C GLY A 28 -2.263 17.503 -6.914 1.00 0.00 C ATOM 396 O GLY A 28 -1.955 18.121 -5.895 1.00 0.00 O ATOM 0 H GLY A 28 -1.643 14.975 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.368 16.568 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.794 17.777 -8.445 1.00 0.00 H new ATOM 400 N SER A 29 -3.524 17.273 -7.267 1.00 0.00 N ATOM 401 CA SER A 29 -4.642 17.747 -6.461 1.00 0.00 C ATOM 402 C SER A 29 -4.897 16.812 -5.282 1.00 0.00 C ATOM 403 O SER A 29 -4.152 15.857 -5.061 1.00 0.00 O ATOM 404 CB SER A 29 -5.905 17.860 -7.318 1.00 0.00 C ATOM 405 OG SER A 29 -5.811 18.947 -8.223 1.00 0.00 O ATOM 0 H SER A 29 -3.796 16.761 -8.106 1.00 0.00 H new ATOM 0 HA SER A 29 -4.385 18.733 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.057 16.934 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.775 17.993 -6.674 1.00 0.00 H new ATOM 0 HG SER A 29 -6.705 19.179 -8.549 1.00 0.00 H new ATOM 411 N SER A 30 -5.954 17.095 -4.528 1.00 0.00 N ATOM 412 CA SER A 30 -6.306 16.283 -3.370 1.00 0.00 C ATOM 413 C SER A 30 -7.530 15.420 -3.662 1.00 0.00 C ATOM 414 O SER A 30 -8.658 15.911 -3.685 1.00 0.00 O ATOM 415 CB SER A 30 -6.577 17.176 -2.157 1.00 0.00 C ATOM 416 OG SER A 30 -6.948 18.483 -2.560 1.00 0.00 O ATOM 0 H SER A 30 -6.582 17.881 -4.699 1.00 0.00 H new ATOM 0 HA SER A 30 -5.464 15.627 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.371 16.740 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.686 17.224 -1.530 1.00 0.00 H new ATOM 0 HG SER A 30 -7.118 19.034 -1.767 1.00 0.00 H new ATOM 422 N ALA A 31 -7.297 14.131 -3.886 1.00 0.00 N ATOM 423 CA ALA A 31 -8.379 13.198 -4.176 1.00 0.00 C ATOM 424 C ALA A 31 -8.980 12.639 -2.891 1.00 0.00 C ATOM 425 O ALA A 31 -8.268 12.106 -2.039 1.00 0.00 O ATOM 426 CB ALA A 31 -7.878 12.067 -5.062 1.00 0.00 C ATOM 0 H ALA A 31 -6.369 13.709 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.161 13.741 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.697 11.378 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.502 12.478 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.076 11.534 -4.552 1.00 0.00 H new ATOM 432 N THR A 32 -10.297 12.764 -2.756 1.00 0.00 N ATOM 433 CA THR A 32 -10.994 12.273 -1.574 1.00 0.00 C ATOM 434 C THR A 32 -11.586 10.890 -1.819 1.00 0.00 C ATOM 435 O THR A 32 -12.179 10.634 -2.868 1.00 0.00 O ATOM 436 CB THR A 32 -12.121 13.232 -1.147 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.576 14.520 -0.835 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.868 12.686 0.060 1.00 0.00 C ATOM 0 H THR A 32 -10.902 13.201 -3.451 1.00 0.00 H new ATOM 0 HA THR A 32 -10.255 12.213 -0.775 1.00 0.00 H new ATOM 0 HB THR A 32 -12.822 13.326 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.299 15.125 -0.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.659 13.380 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.306 11.720 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.175 12.566 0.893 1.00 0.00 H new ATOM 446 N PHE A 33 -11.422 10.000 -0.846 1.00 0.00 N ATOM 447 CA PHE A 33 -11.940 8.641 -0.957 1.00 0.00 C ATOM 448 C PHE A 33 -12.705 8.246 0.303 1.00 0.00 C ATOM 449 O PHE A 33 -12.113 7.807 1.289 1.00 0.00 O ATOM 450 CB PHE A 33 -10.797 7.655 -1.204 1.00 0.00 C ATOM 451 CG PHE A 33 -10.372 7.578 -2.642 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.061 6.779 -3.540 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.283 8.305 -3.097 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.672 6.705 -4.864 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.889 8.235 -4.420 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.585 7.435 -5.305 1.00 0.00 C ATOM 0 H PHE A 33 -10.934 10.195 0.028 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.627 8.609 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.940 7.944 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.105 6.664 -0.871 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.912 6.207 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.736 8.933 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.217 6.077 -5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.038 8.805 -4.761 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.280 7.380 -6.340 1.00 0.00 H new ATOM 466 N ARG A 34 -14.023 8.406 0.263 1.00 0.00 N ATOM 467 CA ARG A 34 -14.869 8.068 1.401 1.00 0.00 C ATOM 468 C ARG A 34 -15.294 6.604 1.347 1.00 0.00 C ATOM 469 O ARG A 34 -15.514 6.050 0.269 1.00 0.00 O ATOM 470 CB ARG A 34 -16.106 8.968 1.430 1.00 0.00 C ATOM 471 CG ARG A 34 -15.967 10.165 2.357 1.00 0.00 C ATOM 472 CD ARG A 34 -16.987 11.244 2.029 1.00 0.00 C ATOM 473 NE ARG A 34 -16.501 12.578 2.373 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.167 13.695 2.102 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.341 13.638 1.487 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.660 14.872 2.446 1.00 0.00 N ATOM 0 H ARG A 34 -14.529 8.768 -0.546 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.291 8.227 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.310 9.323 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.968 8.377 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.095 9.843 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.961 10.576 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.224 11.207 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.912 11.045 2.569 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.601 12.656 2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.734 12.735 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.851 14.497 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.758 14.920 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.173 15.729 2.237 1.00 0.00 H new ATOM 490 N CYS A 35 -15.407 5.982 2.515 1.00 0.00 N ATOM 491 CA CYS A 35 -15.804 4.581 2.601 1.00 0.00 C ATOM 492 C CYS A 35 -16.379 4.263 3.977 1.00 0.00 C ATOM 493 O CYS A 35 -15.799 4.622 5.002 1.00 0.00 O ATOM 494 CB CYS A 35 -14.608 3.672 2.312 1.00 0.00 C ATOM 495 SG CYS A 35 -13.148 4.030 3.317 1.00 0.00 S ATOM 0 H CYS A 35 -15.229 6.426 3.416 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.577 4.401 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.904 2.636 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.342 3.763 1.259 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.181 4.435 2.549 1.00 0.00 H new ATOM 501 N ARG A 36 -17.524 3.588 3.993 1.00 0.00 N ATOM 502 CA ARG A 36 -18.180 3.224 5.243 1.00 0.00 C ATOM 503 C ARG A 36 -17.906 1.764 5.595 1.00 0.00 C ATOM 504 O ARG A 36 -18.444 0.853 4.965 1.00 0.00 O ATOM 505 CB ARG A 36 -19.688 3.461 5.140 1.00 0.00 C ATOM 506 CG ARG A 36 -20.355 3.723 6.481 1.00 0.00 C ATOM 507 CD ARG A 36 -21.855 3.922 6.327 1.00 0.00 C ATOM 508 NE ARG A 36 -22.497 4.251 7.597 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.737 4.715 7.695 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.466 4.904 6.603 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.252 4.991 8.886 1.00 0.00 N ATOM 0 H ARG A 36 -18.017 3.282 3.154 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.774 3.853 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.870 4.310 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.153 2.592 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.165 2.886 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.915 4.608 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.043 4.720 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.301 3.015 5.920 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.963 4.117 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.074 4.693 5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.418 5.261 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.695 4.847 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.205 5.347 8.959 1.00 0.00 H new ATOM 525 N ILE A 37 -17.067 1.552 6.603 1.00 0.00 N ATOM 526 CA ILE A 37 -16.724 0.204 7.039 1.00 0.00 C ATOM 527 C ILE A 37 -16.921 0.045 8.542 1.00 0.00 C ATOM 528 O ILE A 37 -16.472 0.878 9.329 1.00 0.00 O ATOM 529 CB ILE A 37 -15.267 -0.148 6.683 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.300 0.777 7.426 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.051 -0.053 5.180 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.726 0.166 8.685 1.00 0.00 C ATOM 0 H ILE A 37 -16.612 2.296 7.133 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.393 -0.478 6.514 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.070 -1.174 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.482 1.047 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.819 1.700 7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.017 -0.305 4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.719 -0.749 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.263 0.963 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.050 0.877 9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.536 -0.079 9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.178 -0.742 8.432 1.00 0.00 H new ATOM 544 N SER A 38 -17.595 -1.032 8.935 1.00 0.00 N ATOM 545 CA SER A 38 -17.854 -1.300 10.344 1.00 0.00 C ATOM 546 C SER A 38 -16.759 -2.179 10.940 1.00 0.00 C ATOM 547 O SER A 38 -16.091 -2.942 10.242 1.00 0.00 O ATOM 548 CB SER A 38 -19.216 -1.975 10.515 1.00 0.00 C ATOM 549 OG SER A 38 -19.178 -2.946 11.547 1.00 0.00 O ATOM 0 H SER A 38 -17.971 -1.733 8.297 1.00 0.00 H new ATOM 0 HA SER A 38 -17.860 -0.348 10.874 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.971 -1.224 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.512 -2.447 9.578 1.00 0.00 H new ATOM 0 HG SER A 38 -20.061 -3.362 11.638 1.00 0.00 H new ATOM 555 N PRO A 39 -16.569 -2.072 12.264 1.00 0.00 N ATOM 556 CA PRO A 39 -17.358 -1.168 13.105 1.00 0.00 C ATOM 557 C PRO A 39 -17.035 0.299 12.841 1.00 0.00 C ATOM 558 O PRO A 39 -15.920 0.638 12.448 1.00 0.00 O ATOM 559 CB PRO A 39 -16.948 -1.558 14.527 1.00 0.00 C ATOM 560 CG PRO A 39 -15.586 -2.144 14.381 1.00 0.00 C ATOM 561 CD PRO A 39 -15.570 -2.825 13.040 1.00 0.00 C ATOM 0 HA PRO A 39 -18.427 -1.263 12.914 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -16.937 -0.691 15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.645 -2.278 14.957 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.820 -1.370 14.435 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.379 -2.854 15.182 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.584 -2.779 12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.835 -3.879 13.121 1.00 0.00 H new ATOM 569 N ALA A 40 -18.019 1.165 13.060 1.00 0.00 N ATOM 570 CA ALA A 40 -17.838 2.596 12.848 1.00 0.00 C ATOM 571 C ALA A 40 -16.602 3.108 13.580 1.00 0.00 C ATOM 572 O ALA A 40 -15.986 4.089 13.166 1.00 0.00 O ATOM 573 CB ALA A 40 -19.075 3.357 13.302 1.00 0.00 C ATOM 0 H ALA A 40 -18.949 0.901 13.384 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.692 2.764 11.781 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.926 4.424 13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.940 3.019 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.246 3.173 14.363 1.00 0.00 H new ATOM 579 N ASN A 41 -16.245 2.436 14.670 1.00 0.00 N ATOM 580 CA ASN A 41 -15.083 2.825 15.461 1.00 0.00 C ATOM 581 C ASN A 41 -13.918 1.869 15.220 1.00 0.00 C ATOM 582 O ASN A 41 -13.210 1.490 16.153 1.00 0.00 O ATOM 583 CB ASN A 41 -15.437 2.850 16.949 1.00 0.00 C ATOM 584 CG ASN A 41 -16.774 3.515 17.213 1.00 0.00 C ATOM 585 OD1 ASN A 41 -16.853 4.732 17.382 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.835 2.717 17.251 1.00 0.00 N ATOM 0 H ASN A 41 -16.743 1.620 15.025 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.781 3.825 15.150 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.460 1.830 17.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.657 3.379 17.497 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.761 3.108 17.426 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.724 1.714 17.105 1.00 0.00 H new ATOM 593 N TYR A 42 -13.726 1.484 13.964 1.00 0.00 N ATOM 594 CA TYR A 42 -12.648 0.572 13.600 1.00 0.00 C ATOM 595 C TYR A 42 -11.363 1.338 13.302 1.00 0.00 C ATOM 596 O TYR A 42 -11.385 2.373 12.638 1.00 0.00 O ATOM 597 CB TYR A 42 -13.049 -0.267 12.386 1.00 0.00 C ATOM 598 CG TYR A 42 -11.949 -1.175 11.886 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.971 -0.702 11.019 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.886 -2.506 12.280 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.964 -1.528 10.560 1.00 0.00 C ATOM 602 CE2 TYR A 42 -10.882 -3.339 11.827 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.923 -2.845 10.967 1.00 0.00 C ATOM 604 OH TYR A 42 -8.921 -3.672 10.512 1.00 0.00 O ATOM 0 H TYR A 42 -14.303 1.789 13.180 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.466 -0.090 14.446 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.918 -0.872 12.644 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.353 0.400 11.579 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.999 0.329 10.699 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.636 -2.896 12.953 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.212 -1.145 9.886 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -10.848 -4.371 12.144 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.889 -4.482 11.063 1.00 0.00 H new ATOM 614 N GLU A 43 -10.244 0.818 13.797 1.00 0.00 N ATOM 615 CA GLU A 43 -8.948 1.453 13.583 1.00 0.00 C ATOM 616 C GLU A 43 -7.840 0.678 14.289 1.00 0.00 C ATOM 617 O GLU A 43 -8.080 -0.087 15.223 1.00 0.00 O ATOM 618 CB GLU A 43 -8.974 2.898 14.086 1.00 0.00 C ATOM 619 CG GLU A 43 -9.830 3.096 15.326 1.00 0.00 C ATOM 620 CD GLU A 43 -9.413 4.309 16.134 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.516 5.047 15.678 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.987 4.521 17.224 1.00 0.00 O ATOM 0 H GLU A 43 -10.208 -0.040 14.348 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.744 1.452 12.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.955 3.216 14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.346 3.544 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.873 3.203 15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.766 2.207 15.953 1.00 0.00 H new ATOM 629 N PRO A 44 -6.595 0.878 13.832 1.00 0.00 N ATOM 630 CA PRO A 44 -6.296 1.786 12.720 1.00 0.00 C ATOM 631 C PRO A 44 -6.806 1.254 11.385 1.00 0.00 C ATOM 632 O PRO A 44 -7.345 0.150 11.310 1.00 0.00 O ATOM 633 CB PRO A 44 -4.767 1.855 12.719 1.00 0.00 C ATOM 634 CG PRO A 44 -4.330 0.577 13.347 1.00 0.00 C ATOM 635 CD PRO A 44 -5.382 0.234 14.365 1.00 0.00 C ATOM 0 HA PRO A 44 -6.780 2.755 12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.376 1.953 11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.409 2.716 13.283 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.237 -0.212 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.353 0.688 13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.510 -0.844 14.464 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.125 0.616 15.353 1.00 0.00 H new ATOM 643 N VAL A 45 -6.632 2.046 10.332 1.00 0.00 N ATOM 644 CA VAL A 45 -7.073 1.654 8.999 1.00 0.00 C ATOM 645 C VAL A 45 -5.919 1.698 8.003 1.00 0.00 C ATOM 646 O VAL A 45 -5.040 2.556 8.093 1.00 0.00 O ATOM 647 CB VAL A 45 -8.208 2.564 8.493 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.479 2.327 9.294 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.789 4.025 8.561 1.00 0.00 C ATOM 0 H VAL A 45 -6.188 2.963 10.376 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.444 0.632 9.076 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.412 2.317 7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.270 2.979 8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.787 1.287 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.293 2.546 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.603 4.654 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.557 4.289 9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.907 4.180 7.939 1.00 0.00 H new ATOM 659 N HIS A 46 -5.928 0.768 7.053 1.00 0.00 N ATOM 660 CA HIS A 46 -4.883 0.701 6.039 1.00 0.00 C ATOM 661 C HIS A 46 -5.407 1.175 4.686 1.00 0.00 C ATOM 662 O HIS A 46 -6.591 1.031 4.384 1.00 0.00 O ATOM 663 CB HIS A 46 -4.348 -0.726 5.920 1.00 0.00 C ATOM 664 CG HIS A 46 -3.790 -1.265 7.202 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.008 -0.516 8.055 1.00 0.00 N ATOM 666 CD2 HIS A 46 -3.907 -2.486 7.774 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.666 -1.254 9.096 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.199 -2.454 8.950 1.00 0.00 N ATOM 0 H HIS A 46 -6.648 0.051 6.965 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.071 1.360 6.346 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.151 -1.379 5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.571 -0.752 5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.455 -3.329 7.379 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.054 -0.931 9.926 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.101 -3.230 9.604 1.00 0.00 H new ATOM 676 N TRP A 47 -4.517 1.740 3.878 1.00 0.00 N ATOM 677 CA TRP A 47 -4.891 2.235 2.558 1.00 0.00 C ATOM 678 C TRP A 47 -3.793 1.950 1.539 1.00 0.00 C ATOM 679 O TRP A 47 -2.636 2.320 1.739 1.00 0.00 O ATOM 680 CB TRP A 47 -5.174 3.737 2.615 1.00 0.00 C ATOM 681 CG TRP A 47 -6.447 4.075 3.330 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.678 3.994 4.674 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.664 4.544 2.739 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.966 4.386 4.953 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.590 4.728 3.784 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.060 4.828 1.429 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.887 5.183 3.557 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.347 5.279 1.206 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.248 5.453 2.265 1.00 0.00 C ATOM 0 H TRP A 47 -3.533 1.867 4.113 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.796 1.714 2.245 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.343 4.237 3.112 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.221 4.129 1.599 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.956 3.670 5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.388 4.417 5.881 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.373 4.697 0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.583 5.318 4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.664 5.501 0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.247 5.807 2.057 1.00 0.00 H new ATOM 700 N PHE A 48 -4.163 1.292 0.445 1.00 0.00 N ATOM 701 CA PHE A 48 -3.208 0.957 -0.605 1.00 0.00 C ATOM 702 C PHE A 48 -3.663 1.515 -1.951 1.00 0.00 C ATOM 703 O PHE A 48 -4.821 1.899 -2.117 1.00 0.00 O ATOM 704 CB PHE A 48 -3.034 -0.560 -0.701 1.00 0.00 C ATOM 705 CG PHE A 48 -2.504 -1.183 0.558 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.346 -1.437 1.629 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.163 -1.515 0.671 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.861 -2.011 2.789 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.673 -2.090 1.829 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.523 -2.337 2.889 1.00 0.00 C ATOM 0 H PHE A 48 -5.117 0.980 0.263 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.250 1.409 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.995 -1.013 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.356 -0.789 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.393 -1.183 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.494 -1.322 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.528 -2.204 3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.374 -2.346 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.142 -2.785 3.795 1.00 0.00 H new ATOM 720 N LEU A 49 -2.743 1.556 -2.909 1.00 0.00 N ATOM 721 CA LEU A 49 -3.048 2.066 -4.241 1.00 0.00 C ATOM 722 C LEU A 49 -2.342 1.244 -5.314 1.00 0.00 C ATOM 723 O LEU A 49 -1.140 1.392 -5.533 1.00 0.00 O ATOM 724 CB LEU A 49 -2.634 3.535 -4.353 1.00 0.00 C ATOM 725 CG LEU A 49 -2.896 4.205 -5.702 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.710 4.012 -6.634 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.167 3.655 -6.332 1.00 0.00 C ATOM 0 H LEU A 49 -1.780 1.242 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.124 1.985 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.158 4.099 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.569 3.609 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.030 5.274 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.915 4.496 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.820 4.455 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.543 2.947 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.338 4.143 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.062 2.581 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.013 3.847 -5.672 1.00 0.00 H new ATOM 739 N ASP A 50 -3.098 0.378 -5.981 1.00 0.00 N ATOM 740 CA ASP A 50 -2.546 -0.466 -7.034 1.00 0.00 C ATOM 741 C ASP A 50 -1.580 -1.496 -6.455 1.00 0.00 C ATOM 742 O ASP A 50 -1.925 -2.667 -6.297 1.00 0.00 O ATOM 743 CB ASP A 50 -1.831 0.389 -8.081 1.00 0.00 C ATOM 744 CG ASP A 50 -2.575 0.431 -9.401 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.822 0.360 -9.381 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.911 0.536 -10.453 1.00 0.00 O ATOM 0 H ASP A 50 -4.095 0.242 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.371 -0.995 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.716 1.404 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.828 -0.006 -8.245 1.00 0.00 H new ATOM 751 N LYS A 51 -0.368 -1.051 -6.141 1.00 0.00 N ATOM 752 CA LYS A 51 0.649 -1.933 -5.579 1.00 0.00 C ATOM 753 C LYS A 51 1.599 -1.158 -4.671 1.00 0.00 C ATOM 754 O LYS A 51 2.808 -1.391 -4.677 1.00 0.00 O ATOM 755 CB LYS A 51 1.438 -2.614 -6.699 1.00 0.00 C ATOM 756 CG LYS A 51 0.572 -3.429 -7.644 1.00 0.00 C ATOM 757 CD LYS A 51 1.393 -4.035 -8.770 1.00 0.00 C ATOM 758 CE LYS A 51 0.685 -5.226 -9.398 1.00 0.00 C ATOM 759 NZ LYS A 51 -0.390 -4.801 -10.336 1.00 0.00 N ATOM 0 H LYS A 51 -0.066 -0.085 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 51 0.146 -2.694 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.970 -1.854 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.192 -3.266 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.073 -4.223 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.209 -2.794 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.581 -3.279 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.364 -4.349 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.411 -5.840 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.256 -5.849 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.848 -5.641 -10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.096 -4.237 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.022 -4.228 -11.100 1.00 0.00 H new ATOM 773 N THR A 52 1.045 -0.236 -3.891 1.00 0.00 N ATOM 774 CA THR A 52 1.843 0.573 -2.978 1.00 0.00 C ATOM 775 C THR A 52 1.013 1.038 -1.787 1.00 0.00 C ATOM 776 O THR A 52 -0.113 1.515 -1.932 1.00 0.00 O ATOM 777 CB THR A 52 2.435 1.804 -3.689 1.00 0.00 C ATOM 778 OG1 THR A 52 3.231 1.389 -4.805 1.00 0.00 O ATOM 779 CG2 THR A 52 3.284 2.626 -2.731 1.00 0.00 C ATOM 0 H THR A 52 0.046 -0.031 -3.873 1.00 0.00 H new ATOM 0 HA THR A 52 2.657 -0.060 -2.625 1.00 0.00 H new ATOM 0 HB THR A 52 1.611 2.424 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.603 2.177 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.691 3.490 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.668 2.965 -1.898 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.102 2.013 -2.352 1.00 0.00 H new ATOM 787 N PRO A 53 1.580 0.898 -0.579 1.00 0.00 N ATOM 788 CA PRO A 53 0.909 1.300 0.661 1.00 0.00 C ATOM 789 C PRO A 53 0.783 2.815 0.787 1.00 0.00 C ATOM 790 O PRO A 53 1.422 3.565 0.049 1.00 0.00 O ATOM 791 CB PRO A 53 1.826 0.747 1.755 1.00 0.00 C ATOM 792 CG PRO A 53 3.169 0.660 1.116 1.00 0.00 C ATOM 793 CD PRO A 53 2.918 0.338 -0.331 1.00 0.00 C ATOM 0 HA PRO A 53 -0.113 0.925 0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.844 1.403 2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.487 -0.230 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.712 1.600 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.777 -0.112 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.669 0.790 -0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.944 -0.736 -0.514 1.00 0.00 H new ATOM 801 N LEU A 54 -0.045 3.258 1.727 1.00 0.00 N ATOM 802 CA LEU A 54 -0.254 4.685 1.950 1.00 0.00 C ATOM 803 C LEU A 54 -0.418 4.985 3.437 1.00 0.00 C ATOM 804 O LEU A 54 -1.209 4.341 4.127 1.00 0.00 O ATOM 805 CB LEU A 54 -1.487 5.165 1.183 1.00 0.00 C ATOM 806 CG LEU A 54 -1.448 4.978 -0.335 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.858 4.877 -0.896 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.690 6.121 -0.994 1.00 0.00 C ATOM 0 H LEU A 54 -0.582 2.651 2.346 1.00 0.00 H new ATOM 0 HA LEU A 54 0.624 5.218 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.359 4.639 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.633 6.224 1.395 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.924 4.048 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.811 4.744 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.368 4.024 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.407 5.790 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.672 5.971 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.185 7.065 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.332 6.147 -0.615 1.00 0.00 H new ATOM 820 N HIS A 55 0.333 5.967 3.923 1.00 0.00 N ATOM 821 CA HIS A 55 0.269 6.355 5.328 1.00 0.00 C ATOM 822 C HIS A 55 0.132 7.868 5.468 1.00 0.00 C ATOM 823 O HIS A 55 0.718 8.628 4.698 1.00 0.00 O ATOM 824 CB HIS A 55 1.517 5.873 6.069 1.00 0.00 C ATOM 825 CG HIS A 55 1.877 4.450 5.774 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.113 3.379 6.189 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.925 3.923 5.100 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.677 2.255 5.784 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.778 2.558 5.120 1.00 0.00 N ATOM 0 H HIS A 55 0.993 6.509 3.365 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.610 5.886 5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.357 6.514 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.358 5.984 7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.728 4.474 4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.302 1.259 5.965 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.416 1.887 4.692 1.00 0.00 H new ATOM 837 N ALA A 56 -0.647 8.297 6.456 1.00 0.00 N ATOM 838 CA ALA A 56 -0.860 9.719 6.697 1.00 0.00 C ATOM 839 C ALA A 56 0.467 10.458 6.834 1.00 0.00 C ATOM 840 O ALA A 56 1.378 9.995 7.519 1.00 0.00 O ATOM 841 CB ALA A 56 -1.710 9.921 7.943 1.00 0.00 C ATOM 0 H ALA A 56 -1.141 7.681 7.102 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.389 10.133 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.861 10.987 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.676 9.434 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.202 9.486 8.804 1.00 0.00 H new ATOM 847 N ASN A 57 0.569 11.609 6.177 1.00 0.00 N ATOM 848 CA ASN A 57 1.786 12.411 6.225 1.00 0.00 C ATOM 849 C ASN A 57 1.504 13.852 5.812 1.00 0.00 C ATOM 850 O ASN A 57 0.349 14.256 5.683 1.00 0.00 O ATOM 851 CB ASN A 57 2.856 11.807 5.313 1.00 0.00 C ATOM 852 CG ASN A 57 4.229 11.803 5.956 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.394 11.358 7.092 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.223 12.302 5.231 1.00 0.00 N ATOM 0 H ASN A 57 -0.176 12.007 5.605 1.00 0.00 H new ATOM 0 HA ASN A 57 2.151 12.411 7.252 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.576 10.786 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.896 12.371 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.169 12.327 5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.041 12.660 4.294 1.00 0.00 H new ATOM 861 N GLU A 58 2.568 14.622 5.605 1.00 0.00 N ATOM 862 CA GLU A 58 2.434 16.018 5.206 1.00 0.00 C ATOM 863 C GLU A 58 1.521 16.152 3.991 1.00 0.00 C ATOM 864 O GLU A 58 0.836 17.161 3.823 1.00 0.00 O ATOM 865 CB GLU A 58 3.807 16.616 4.895 1.00 0.00 C ATOM 866 CG GLU A 58 3.741 18.004 4.278 1.00 0.00 C ATOM 867 CD GLU A 58 4.762 18.955 4.871 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.575 19.380 6.030 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.749 19.274 4.176 1.00 0.00 O ATOM 0 H GLU A 58 3.531 14.303 5.707 1.00 0.00 H new ATOM 0 HA GLU A 58 1.987 16.565 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.390 16.664 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.338 15.950 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.903 17.928 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.741 18.414 4.422 1.00 0.00 H new ATOM 876 N LEU A 59 1.517 15.127 3.146 1.00 0.00 N ATOM 877 CA LEU A 59 0.689 15.129 1.945 1.00 0.00 C ATOM 878 C LEU A 59 -0.511 14.202 2.109 1.00 0.00 C ATOM 879 O LEU A 59 -1.640 14.570 1.789 1.00 0.00 O ATOM 880 CB LEU A 59 1.516 14.700 0.731 1.00 0.00 C ATOM 881 CG LEU A 59 2.891 15.355 0.591 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.745 14.593 -0.411 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.748 16.811 0.173 1.00 0.00 C ATOM 0 H LEU A 59 2.078 14.284 3.270 1.00 0.00 H new ATOM 0 HA LEU A 59 0.323 16.144 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.653 13.619 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.940 14.914 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 59 3.388 15.323 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.720 15.073 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.876 13.566 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.252 14.593 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.736 17.261 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.231 16.865 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.174 17.351 0.926 1.00 0.00 H new ATOM 895 N ASN A 60 -0.258 12.998 2.613 1.00 0.00 N ATOM 896 CA ASN A 60 -1.318 12.019 2.822 1.00 0.00 C ATOM 897 C ASN A 60 -2.206 12.421 3.995 1.00 0.00 C ATOM 898 O ASN A 60 -1.714 12.806 5.055 1.00 0.00 O ATOM 899 CB ASN A 60 -0.719 10.633 3.073 1.00 0.00 C ATOM 900 CG ASN A 60 0.511 10.374 2.225 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.575 10.946 2.463 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.371 9.507 1.229 1.00 0.00 N ATOM 0 H ASN A 60 0.672 12.677 2.884 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.930 11.985 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.457 10.539 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.470 9.872 2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.164 9.292 0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.530 9.056 1.068 1.00 0.00 H new ATOM 909 N GLU A 61 -3.518 12.328 3.797 1.00 0.00 N ATOM 910 CA GLU A 61 -4.474 12.683 4.839 1.00 0.00 C ATOM 911 C GLU A 61 -5.516 11.582 5.019 1.00 0.00 C ATOM 912 O GLU A 61 -6.125 11.126 4.051 1.00 0.00 O ATOM 913 CB GLU A 61 -5.166 14.005 4.499 1.00 0.00 C ATOM 914 CG GLU A 61 -5.380 14.907 5.703 1.00 0.00 C ATOM 915 CD GLU A 61 -6.698 14.642 6.404 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.756 14.940 5.812 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.670 14.136 7.546 1.00 0.00 O ATOM 0 H GLU A 61 -3.942 12.010 2.925 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.927 12.798 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.570 14.537 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.131 13.792 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.562 14.764 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.346 15.948 5.383 1.00 0.00 H new ATOM 924 N ILE A 62 -5.715 11.161 6.263 1.00 0.00 N ATOM 925 CA ILE A 62 -6.682 10.115 6.570 1.00 0.00 C ATOM 926 C ILE A 62 -7.562 10.510 7.751 1.00 0.00 C ATOM 927 O ILE A 62 -7.166 10.367 8.908 1.00 0.00 O ATOM 928 CB ILE A 62 -5.985 8.779 6.886 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.153 8.317 5.689 1.00 0.00 C ATOM 930 CG2 ILE A 62 -7.013 7.722 7.263 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.756 7.871 6.061 1.00 0.00 C ATOM 0 H ILE A 62 -5.219 11.528 7.075 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.304 9.989 5.683 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.316 8.927 7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.669 7.494 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.086 9.131 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.505 6.783 7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.567 8.050 8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.704 7.574 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.223 7.557 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.222 8.698 6.529 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.814 7.036 6.759 1.00 0.00 H new ATOM 943 N ASP A 63 -8.758 11.004 7.452 1.00 0.00 N ATOM 944 CA ASP A 63 -9.696 11.416 8.490 1.00 0.00 C ATOM 945 C ASP A 63 -10.529 10.232 8.971 1.00 0.00 C ATOM 946 O ASP A 63 -10.331 9.101 8.529 1.00 0.00 O ATOM 947 CB ASP A 63 -10.615 12.522 7.967 1.00 0.00 C ATOM 948 CG ASP A 63 -10.898 13.582 9.012 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.941 14.026 9.681 1.00 0.00 O ATOM 950 OD2 ASP A 63 -12.076 13.969 9.163 1.00 0.00 O ATOM 0 H ASP A 63 -9.101 11.129 6.500 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.121 11.799 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.157 12.989 7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.556 12.082 7.636 1.00 0.00 H new ATOM 955 N ALA A 64 -11.459 10.501 9.881 1.00 0.00 N ATOM 956 CA ALA A 64 -12.322 9.458 10.422 1.00 0.00 C ATOM 957 C ALA A 64 -13.718 9.998 10.716 1.00 0.00 C ATOM 958 O ALA A 64 -14.139 10.059 11.871 1.00 0.00 O ATOM 959 CB ALA A 64 -11.708 8.865 11.682 1.00 0.00 C ATOM 0 H ALA A 64 -11.634 11.432 10.259 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.415 8.673 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.363 8.088 12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.735 8.434 11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.585 9.648 12.430 1.00 0.00 H new ATOM 965 N GLN A 65 -14.430 10.388 9.664 1.00 0.00 N ATOM 966 CA GLN A 65 -15.778 10.924 9.810 1.00 0.00 C ATOM 967 C GLN A 65 -16.650 9.985 10.636 1.00 0.00 C ATOM 968 O GLN A 65 -16.354 8.800 10.793 1.00 0.00 O ATOM 969 CB GLN A 65 -16.411 11.151 8.436 1.00 0.00 C ATOM 970 CG GLN A 65 -16.136 12.531 7.860 1.00 0.00 C ATOM 971 CD GLN A 65 -16.576 12.658 6.415 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.528 12.006 5.984 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.883 13.499 5.657 1.00 0.00 N ATOM 0 H GLN A 65 -14.096 10.343 8.701 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.708 11.878 10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.037 10.396 7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.489 11.007 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.652 13.281 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.069 12.744 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.101 14.019 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.132 13.625 4.676 1.00 0.00 H new ATOM 982 N PRO A 66 -17.751 10.524 11.180 1.00 0.00 N ATOM 983 CA PRO A 66 -18.690 9.752 12.000 1.00 0.00 C ATOM 984 C PRO A 66 -19.474 8.734 11.179 1.00 0.00 C ATOM 985 O PRO A 66 -19.926 9.029 10.074 1.00 0.00 O ATOM 986 CB PRO A 66 -19.628 10.820 12.566 1.00 0.00 C ATOM 987 CG PRO A 66 -19.566 11.939 11.584 1.00 0.00 C ATOM 988 CD PRO A 66 -18.166 11.930 11.035 1.00 0.00 C ATOM 0 HA PRO A 66 -18.179 9.167 12.764 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.644 10.440 12.669 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.307 11.144 13.556 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.298 11.801 10.788 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.791 12.892 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.141 12.251 9.994 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.512 12.601 11.591 1.00 0.00 H new ATOM 996 N GLY A 67 -19.632 7.533 11.728 1.00 0.00 N ATOM 997 CA GLY A 67 -20.363 6.490 11.033 1.00 0.00 C ATOM 998 C GLY A 67 -19.447 5.529 10.302 1.00 0.00 C ATOM 999 O GLY A 67 -19.880 4.809 9.403 1.00 0.00 O ATOM 0 H GLY A 67 -19.267 7.264 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.969 5.936 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.050 6.946 10.320 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.174 5.517 10.688 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.214 4.635 10.052 1.00 0.00 C ATOM 1005 C GLY A 68 -16.802 5.121 8.676 1.00 0.00 C ATOM 1006 O GLY A 68 -16.403 4.328 7.823 1.00 0.00 O ATOM 0 H GLY A 68 -17.791 6.103 11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.330 4.550 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.643 3.637 9.968 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.900 6.428 8.459 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.538 7.018 7.176 1.00 0.00 C ATOM 1012 C TYR A 69 -15.074 7.447 7.167 1.00 0.00 C ATOM 1013 O TYR A 69 -14.725 8.517 7.667 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.435 8.220 6.873 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.732 7.850 6.189 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.814 7.375 6.920 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -18.876 7.977 4.813 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -21.001 7.035 6.299 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.059 7.641 4.184 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.118 7.170 4.932 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.299 6.834 4.310 1.00 0.00 O ATOM 0 H TYR A 69 -17.227 7.099 9.155 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.681 6.262 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.660 8.739 7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.888 8.921 6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.726 7.270 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.048 8.345 4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.832 6.666 6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.154 7.746 3.113 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.216 6.988 3.346 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.221 6.605 6.594 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.794 6.896 6.518 1.00 0.00 C ATOM 1033 C HIS A 70 -12.461 7.655 5.237 1.00 0.00 C ATOM 1034 O HIS A 70 -12.464 7.083 4.146 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.983 5.601 6.582 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.010 4.943 7.928 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.333 5.440 9.021 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.639 3.823 8.354 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.543 4.653 10.061 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.333 3.664 9.683 1.00 0.00 N ATOM 0 H HIS A 70 -14.493 5.715 6.175 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.531 7.523 7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.368 4.904 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.949 5.816 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.265 3.175 7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.138 4.794 11.052 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.662 2.906 10.281 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.177 8.946 5.376 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.843 9.783 4.230 1.00 0.00 C ATOM 1050 C VAL A 71 -10.336 9.831 4.006 1.00 0.00 C ATOM 1051 O VAL A 71 -9.561 9.991 4.950 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.370 11.219 4.411 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.201 12.016 3.127 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.827 11.200 4.849 1.00 0.00 C ATOM 0 H VAL A 71 -12.172 9.435 6.271 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.323 9.335 3.360 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.786 11.706 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.579 13.028 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.145 12.058 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.758 11.534 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.183 12.223 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.428 10.695 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.915 10.668 5.797 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.925 9.691 2.750 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.509 9.720 2.400 1.00 0.00 C ATOM 1066 C LEU A 72 -8.221 10.820 1.384 1.00 0.00 C ATOM 1067 O LEU A 72 -8.590 10.712 0.214 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.076 8.364 1.839 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.634 8.277 1.335 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.708 7.812 2.448 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.544 7.342 0.138 1.00 0.00 C ATOM 0 H LEU A 72 -10.552 9.556 1.957 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.940 9.931 3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.215 7.611 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.743 8.103 1.018 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.318 9.271 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.687 7.756 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.751 8.519 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.022 6.827 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.511 7.292 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.878 6.346 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.178 7.717 -0.665 1.00 0.00 H new ATOM 1083 N THR A 73 -7.558 11.879 1.838 1.00 0.00 N ATOM 1084 CA THR A 73 -7.219 12.998 0.968 1.00 0.00 C ATOM 1085 C THR A 73 -5.764 12.927 0.521 1.00 0.00 C ATOM 1086 O THR A 73 -4.873 13.461 1.183 1.00 0.00 O ATOM 1087 CB THR A 73 -7.463 14.348 1.670 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.592 14.249 2.544 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.699 15.453 0.651 1.00 0.00 C ATOM 0 H THR A 73 -7.245 11.985 2.803 1.00 0.00 H new ATOM 0 HA THR A 73 -7.868 12.927 0.095 1.00 0.00 H new ATOM 0 HB THR A 73 -6.575 14.595 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.739 15.111 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.869 16.396 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.825 15.546 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.572 15.209 0.046 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.528 12.264 -0.606 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.179 12.123 -1.143 1.00 0.00 C ATOM 1099 C LEU A 74 -3.743 13.396 -1.862 1.00 0.00 C ATOM 1100 O LEU A 74 -4.044 13.589 -3.040 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.112 10.933 -2.102 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.892 9.564 -1.458 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.224 8.452 -2.441 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.458 9.431 -0.965 1.00 0.00 C ATOM 0 H LEU A 74 -6.253 11.816 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.499 11.948 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.040 10.899 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.306 11.111 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.560 9.475 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.061 7.485 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.267 8.535 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.582 8.537 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.319 8.451 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.773 9.541 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.254 10.206 -0.227 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.031 14.260 -1.146 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.553 15.513 -1.717 1.00 0.00 C ATOM 1118 C ARG A 75 -1.284 15.289 -2.535 1.00 0.00 C ATOM 1119 O ARG A 75 -0.573 14.305 -2.337 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.284 16.533 -0.608 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.417 16.652 0.398 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.208 17.831 1.335 1.00 0.00 C ATOM 1123 NE ARG A 75 -3.887 19.034 0.861 1.00 0.00 N ATOM 1124 CZ ARG A 75 -5.207 19.181 0.860 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -5.986 18.206 1.306 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.750 20.306 0.412 1.00 0.00 N ATOM 0 H ARG A 75 -2.773 14.115 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.327 15.901 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.371 16.253 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.106 17.509 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.363 16.769 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.488 15.732 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.576 17.574 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.141 18.032 1.433 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.316 19.804 0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.572 17.340 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.999 18.322 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.154 21.059 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.764 20.418 0.412 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.009 16.209 -3.454 1.00 0.00 N ATOM 1141 CA GLN A 76 0.172 16.111 -4.303 1.00 0.00 C ATOM 1142 C GLN A 76 0.245 14.745 -4.978 1.00 0.00 C ATOM 1143 O GLN A 76 1.165 13.965 -4.726 1.00 0.00 O ATOM 1144 CB GLN A 76 1.439 16.355 -3.481 1.00 0.00 C ATOM 1145 CG GLN A 76 1.700 17.823 -3.187 1.00 0.00 C ATOM 1146 CD GLN A 76 3.163 18.113 -2.918 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.515 18.693 -1.890 1.00 0.00 O ATOM 1148 NE2 GLN A 76 4.027 17.710 -3.843 1.00 0.00 N ATOM 0 H GLN A 76 -1.588 17.030 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 76 0.097 16.875 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.361 15.813 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.294 15.943 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.364 18.424 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.108 18.127 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.692 17.233 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.025 17.878 -3.716 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.729 14.462 -5.836 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.775 13.189 -6.548 1.00 0.00 C ATOM 1159 C LEU A 77 -0.012 13.274 -7.865 1.00 0.00 C ATOM 1160 O LEU A 77 0.516 14.327 -8.222 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.226 12.782 -6.811 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.002 12.246 -5.607 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.479 12.587 -5.728 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.809 10.742 -5.475 1.00 0.00 C ATOM 0 H LEU A 77 -1.497 15.096 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.300 12.433 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.759 13.647 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.233 12.020 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.613 12.723 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.014 12.197 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.600 13.669 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.883 12.139 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.368 10.378 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.170 10.248 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.750 10.522 -5.340 1.00 0.00 H new ATOM 1176 N ALA A 78 0.040 12.159 -8.586 1.00 0.00 N ATOM 1177 CA ALA A 78 0.735 12.108 -9.866 1.00 0.00 C ATOM 1178 C ALA A 78 -0.009 11.222 -10.860 1.00 0.00 C ATOM 1179 O ALA A 78 -0.814 10.375 -10.470 1.00 0.00 O ATOM 1180 CB ALA A 78 2.159 11.610 -9.675 1.00 0.00 C ATOM 0 H ALA A 78 -0.391 11.278 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 78 0.768 13.118 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.665 11.577 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.694 12.285 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.140 10.610 -9.241 1.00 0.00 H new ATOM 1186 N LEU A 79 0.266 11.421 -12.144 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.378 10.639 -13.194 1.00 0.00 C ATOM 1188 C LEU A 79 -0.117 9.149 -13.001 1.00 0.00 C ATOM 1189 O LEU A 79 -0.867 8.307 -13.496 1.00 0.00 O ATOM 1190 CB LEU A 79 0.126 11.083 -14.569 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.150 12.538 -14.947 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.686 12.945 -16.150 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.631 12.744 -15.231 1.00 0.00 C ATOM 0 H LEU A 79 0.930 12.117 -12.483 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.453 10.811 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.202 10.916 -14.611 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.326 10.440 -15.324 1.00 0.00 H new ATOM 0 HG LEU A 79 0.130 13.171 -14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.476 13.984 -16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.744 12.837 -15.911 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.438 12.307 -16.998 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.809 13.786 -15.498 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.936 12.100 -16.056 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.210 12.494 -14.342 1.00 0.00 H new ATOM 1205 N LYS A 80 0.950 8.829 -12.276 1.00 0.00 N ATOM 1206 CA LYS A 80 1.309 7.441 -12.014 1.00 0.00 C ATOM 1207 C LYS A 80 0.437 6.853 -10.909 1.00 0.00 C ATOM 1208 O LYS A 80 0.239 5.640 -10.840 1.00 0.00 O ATOM 1209 CB LYS A 80 2.785 7.340 -11.621 1.00 0.00 C ATOM 1210 CG LYS A 80 3.083 7.876 -10.232 1.00 0.00 C ATOM 1211 CD LYS A 80 4.336 8.735 -10.222 1.00 0.00 C ATOM 1212 CE LYS A 80 4.903 8.879 -8.818 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.452 10.138 -8.164 1.00 0.00 N ATOM 0 H LYS A 80 1.581 9.513 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 80 1.142 6.870 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.095 6.296 -11.673 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.384 7.887 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.236 8.463 -9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.206 7.044 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.088 8.291 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.105 9.721 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.596 8.026 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.992 8.863 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.076 10.355 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.488 10.918 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.476 10.022 -7.823 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.084 7.720 -10.048 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.937 7.287 -8.948 1.00 0.00 C ATOM 1229 C ASP A 81 -2.222 6.655 -9.473 1.00 0.00 C ATOM 1230 O ASP A 81 -2.867 5.868 -8.780 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.271 8.469 -8.037 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.426 8.057 -6.586 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.393 7.871 -5.908 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.580 7.921 -6.128 1.00 0.00 O ATOM 0 H ASP A 81 0.070 8.727 -10.091 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.393 6.538 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.484 9.219 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.194 8.938 -8.379 1.00 0.00 H new ATOM 1239 N SER A 82 -2.588 7.005 -10.702 1.00 0.00 N ATOM 1240 CA SER A 82 -3.799 6.476 -11.319 1.00 0.00 C ATOM 1241 C SER A 82 -3.830 4.953 -11.237 1.00 0.00 C ATOM 1242 O SER A 82 -3.097 4.267 -11.948 1.00 0.00 O ATOM 1243 CB SER A 82 -3.889 6.921 -12.780 1.00 0.00 C ATOM 1244 OG SER A 82 -3.407 8.244 -12.941 1.00 0.00 O ATOM 0 H SER A 82 -2.063 7.653 -11.290 1.00 0.00 H new ATOM 0 HA SER A 82 -4.656 6.870 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.311 6.241 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.924 6.864 -13.118 1.00 0.00 H new ATOM 0 HG SER A 82 -2.593 8.231 -13.486 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.685 4.431 -10.363 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.796 2.993 -10.202 1.00 0.00 C ATOM 1252 C GLY A 83 -6.120 2.578 -9.591 1.00 0.00 C ATOM 1253 O GLY A 83 -7.178 2.773 -10.190 1.00 0.00 O ATOM 0 H GLY A 83 -5.303 4.978 -9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.681 2.512 -11.173 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.981 2.637 -9.572 1.00 0.00 H new ATOM 1257 N THR A 84 -6.062 2.002 -8.394 1.00 0.00 N ATOM 1258 CA THR A 84 -7.265 1.555 -7.702 1.00 0.00 C ATOM 1259 C THR A 84 -7.030 1.457 -6.199 1.00 0.00 C ATOM 1260 O THR A 84 -6.292 0.588 -5.733 1.00 0.00 O ATOM 1261 CB THR A 84 -7.740 0.187 -8.227 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.889 0.234 -9.651 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.062 -0.208 -7.587 1.00 0.00 C ATOM 0 H THR A 84 -5.195 1.834 -7.884 1.00 0.00 H new ATOM 0 HA THR A 84 -8.037 2.299 -7.898 1.00 0.00 H new ATOM 0 HB THR A 84 -6.990 -0.559 -7.965 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.020 1.163 -9.936 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.378 -1.177 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.938 -0.271 -6.506 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.818 0.540 -7.823 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.663 2.351 -5.447 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.523 2.362 -3.996 1.00 0.00 C ATOM 1273 C ILE A 85 -7.952 1.029 -3.392 1.00 0.00 C ATOM 1274 O ILE A 85 -9.101 0.611 -3.536 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.354 3.492 -3.359 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.918 4.850 -3.913 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.216 3.462 -1.845 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.493 5.216 -3.563 1.00 0.00 C ATOM 0 H ILE A 85 -8.277 3.076 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.468 2.532 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.403 3.338 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.027 4.843 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.587 5.621 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.809 4.266 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.571 2.504 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.169 3.595 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.253 6.190 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.383 5.256 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.814 4.466 -3.969 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.021 0.367 -2.714 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.302 -0.920 -2.088 1.00 0.00 C ATOM 1292 C TYR A 86 -7.360 -0.786 -0.570 1.00 0.00 C ATOM 1293 O TYR A 86 -6.376 -1.036 0.126 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.236 -1.945 -2.480 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.498 -2.613 -3.810 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.501 -3.566 -3.945 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.744 -2.293 -4.932 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.744 -4.180 -5.159 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.981 -2.901 -6.150 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.982 -3.844 -6.258 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.220 -4.453 -7.469 1.00 0.00 O ATOM 0 H TYR A 86 -6.066 0.700 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.274 -1.263 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.265 -1.451 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.176 -2.709 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.100 -3.831 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.959 -1.556 -4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.527 -4.919 -5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.386 -2.639 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.597 -4.103 -8.139 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.523 -0.389 -0.062 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.712 -0.221 1.374 1.00 0.00 C ATOM 1313 C PHE A 87 -8.644 -1.565 2.093 1.00 0.00 C ATOM 1314 O PHE A 87 -9.043 -2.593 1.547 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.056 0.454 1.657 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.391 0.532 3.119 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.803 1.490 3.928 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.295 -0.354 3.684 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.110 1.565 5.274 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.606 -0.284 5.029 1.00 0.00 C ATOM 1321 CZ PHE A 87 -11.012 0.675 5.825 1.00 0.00 C ATOM 0 H PHE A 87 -9.348 -0.178 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.908 0.413 1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.042 1.462 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.844 -0.093 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.096 2.187 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.761 -1.107 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.646 2.318 5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.313 -0.979 5.457 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.252 0.729 6.877 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.136 -1.548 3.321 1.00 0.00 N ATOM 1332 CA GLU A 88 -8.014 -2.765 4.114 1.00 0.00 C ATOM 1333 C GLU A 88 -8.585 -2.562 5.515 1.00 0.00 C ATOM 1334 O GLU A 88 -8.338 -1.540 6.154 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.549 -3.196 4.206 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.163 -4.263 3.196 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.681 -4.580 3.219 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.119 -4.715 4.326 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.082 -4.693 2.128 1.00 0.00 O ATOM 0 H GLU A 88 -7.802 -0.705 3.788 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.585 -3.549 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.913 -2.323 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.352 -3.570 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.728 -5.172 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.444 -3.930 2.197 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.350 -3.542 5.984 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.955 -3.472 7.308 1.00 0.00 C ATOM 1348 C ALA A 89 -10.447 -4.842 7.760 1.00 0.00 C ATOM 1349 O ALA A 89 -11.513 -5.297 7.348 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.100 -2.470 7.313 1.00 0.00 C ATOM 0 H ALA A 89 -9.565 -4.394 5.466 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.192 -3.139 8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.543 -2.428 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.722 -1.484 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.857 -2.779 6.592 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.662 -5.498 8.610 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.035 -6.810 9.103 1.00 0.00 C ATOM 1358 C GLY A 90 -9.912 -7.885 8.041 1.00 0.00 C ATOM 1359 O GLY A 90 -8.811 -8.194 7.586 1.00 0.00 O ATOM 0 H GLY A 90 -8.774 -5.143 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.403 -7.069 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.062 -6.779 9.467 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.044 -8.457 7.647 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.059 -9.504 6.632 1.00 0.00 C ATOM 1365 C ASP A 91 -11.777 -9.031 5.373 1.00 0.00 C ATOM 1366 O ASP A 91 -12.268 -9.839 4.586 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.736 -10.763 7.177 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.255 -12.024 6.487 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.144 -12.002 5.917 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.991 -13.033 6.514 1.00 0.00 O ATOM 0 H ASP A 91 -11.964 -8.213 8.015 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.027 -9.739 6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.543 -10.842 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.815 -10.674 7.054 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.835 -7.715 5.190 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.495 -7.134 4.027 1.00 0.00 C ATOM 1377 C GLN A 92 -11.499 -6.372 3.160 1.00 0.00 C ATOM 1378 O GLN A 92 -10.303 -6.346 3.448 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.625 -6.202 4.468 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.793 -6.925 5.117 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.598 -7.741 4.125 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.288 -7.190 3.266 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.516 -9.061 4.239 1.00 0.00 N ATOM 0 H GLN A 92 -11.433 -7.032 5.832 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.915 -7.947 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.227 -5.469 5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.987 -5.649 3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.418 -7.582 5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.446 -6.196 5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.932 -9.475 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.037 -9.661 3.600 1.00 0.00 H new ATOM 1392 N ARG A 93 -12.001 -5.752 2.097 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.154 -4.990 1.187 1.00 0.00 C ATOM 1394 C ARG A 93 -11.995 -4.269 0.137 1.00 0.00 C ATOM 1395 O ARG A 93 -12.714 -4.900 -0.637 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.145 -5.913 0.501 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.956 -5.179 -0.096 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.977 -6.143 -0.749 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.510 -6.709 -1.985 1.00 0.00 N ATOM 1400 CZ ARG A 93 -9.202 -7.842 -2.037 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -9.443 -8.526 -0.926 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.654 -8.293 -3.200 1.00 0.00 N ATOM 0 H ARG A 93 -12.989 -5.762 1.845 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.615 -4.244 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.784 -6.644 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.652 -6.469 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.306 -4.458 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.446 -4.614 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.043 -5.623 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.742 -6.948 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.342 -6.207 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.097 -8.182 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.974 -9.396 -0.968 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.470 -7.770 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.185 -9.163 -3.238 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.900 -2.944 0.118 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.650 -2.137 -0.837 1.00 0.00 C ATOM 1418 C ALA A 94 -11.806 -1.814 -2.065 1.00 0.00 C ATOM 1419 O ALA A 94 -10.577 -1.881 -2.021 1.00 0.00 O ATOM 1420 CB ALA A 94 -13.138 -0.856 -0.177 1.00 0.00 C ATOM 0 H ALA A 94 -11.311 -2.406 0.753 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.514 -2.715 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.696 -0.263 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.785 -1.104 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.283 -0.282 0.180 1.00 0.00 H new ATOM 1426 N SER A 95 -12.473 -1.463 -3.160 1.00 0.00 N ATOM 1427 CA SER A 95 -11.783 -1.133 -4.402 1.00 0.00 C ATOM 1428 C SER A 95 -12.494 0.002 -5.132 1.00 0.00 C ATOM 1429 O SER A 95 -13.682 -0.090 -5.440 1.00 0.00 O ATOM 1430 CB SER A 95 -11.701 -2.365 -5.307 1.00 0.00 C ATOM 1431 OG SER A 95 -12.891 -3.131 -5.234 1.00 0.00 O ATOM 0 H SER A 95 -13.490 -1.400 -3.212 1.00 0.00 H new ATOM 0 HA SER A 95 -10.773 -0.806 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.528 -2.053 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.850 -2.980 -5.013 1.00 0.00 H new ATOM 0 HG SER A 95 -12.814 -3.911 -5.822 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.756 1.073 -5.407 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.313 2.226 -6.103 1.00 0.00 C ATOM 1439 C ALA A 96 -11.419 2.653 -7.262 1.00 0.00 C ATOM 1440 O ALA A 96 -10.194 2.634 -7.153 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.511 3.382 -5.134 1.00 0.00 C ATOM 0 H ALA A 96 -10.771 1.166 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.281 1.939 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.928 4.237 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.196 3.080 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.551 3.659 -4.698 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.041 3.036 -8.373 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.301 3.468 -9.552 1.00 0.00 C ATOM 1449 C ALA A 97 -10.652 4.829 -9.325 1.00 0.00 C ATOM 1450 O ALA A 97 -11.314 5.865 -9.405 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.220 3.514 -10.764 1.00 0.00 C ATOM 0 H ALA A 97 -13.055 3.056 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.508 2.744 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.654 3.838 -11.637 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.632 2.521 -10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.033 4.215 -10.578 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.355 4.821 -9.041 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.616 6.056 -8.801 1.00 0.00 C ATOM 1459 C LEU A 98 -8.060 6.620 -10.105 1.00 0.00 C ATOM 1460 O LEU A 98 -6.993 6.212 -10.564 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.476 5.808 -7.812 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.385 6.878 -7.764 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.998 8.259 -7.594 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.402 6.586 -6.640 1.00 0.00 C ATOM 0 H LEU A 98 -8.793 3.973 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.305 6.786 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.903 5.708 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.010 4.853 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.842 6.859 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.206 9.007 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.661 8.468 -8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.567 8.293 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.632 7.357 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.931 6.577 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.937 5.614 -6.806 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.790 7.560 -10.696 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.369 8.181 -11.946 1.00 0.00 C ATOM 1478 C ARG A 99 -7.652 9.502 -11.683 1.00 0.00 C ATOM 1479 O ARG A 99 -8.043 10.268 -10.803 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.577 8.416 -12.856 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.254 7.134 -13.312 1.00 0.00 C ATOM 1482 CD ARG A 99 -9.383 6.363 -14.292 1.00 0.00 C ATOM 1483 NE ARG A 99 -9.995 5.098 -14.690 1.00 0.00 N ATOM 1484 CZ ARG A 99 -11.037 5.011 -15.509 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -11.579 6.109 -16.016 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -11.538 3.823 -15.824 1.00 0.00 N ATOM 0 H ARG A 99 -9.676 7.908 -10.329 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.675 7.504 -12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.304 9.033 -12.328 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.257 8.980 -13.732 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.472 6.508 -12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.209 7.372 -13.781 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.205 6.974 -15.177 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.411 6.169 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.600 4.234 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.196 7.024 -15.778 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.379 6.039 -16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.123 2.976 -15.437 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.338 3.758 -16.453 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.600 9.762 -12.453 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.829 10.990 -12.304 1.00 0.00 C ATOM 1502 C VAL A 100 -5.242 11.436 -13.639 1.00 0.00 C ATOM 1503 O VAL A 100 -4.271 10.858 -14.128 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.685 10.815 -11.287 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.832 12.072 -11.220 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.242 10.465 -9.915 1.00 0.00 C ATOM 0 H VAL A 100 -6.262 9.138 -13.186 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.517 11.753 -11.939 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.051 9.993 -11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.029 11.929 -10.496 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.404 12.274 -12.202 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.451 12.916 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.421 10.345 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.899 11.265 -9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.806 9.534 -9.978 1.00 0.00 H new ATOM 1516 N THR A 101 -5.839 12.469 -14.225 1.00 0.00 N ATOM 1517 CA THR A 101 -5.377 12.993 -15.504 1.00 0.00 C ATOM 1518 C THR A 101 -4.395 14.142 -15.305 1.00 0.00 C ATOM 1519 O THR A 101 -4.197 14.615 -14.186 1.00 0.00 O ATOM 1520 CB THR A 101 -6.554 13.483 -16.369 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.182 14.611 -15.749 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.576 12.374 -16.570 1.00 0.00 C ATOM 0 H THR A 101 -6.644 12.959 -13.834 1.00 0.00 H new ATOM 0 HA THR A 101 -4.874 12.174 -16.018 1.00 0.00 H new ATOM 0 HB THR A 101 -6.163 13.776 -17.343 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.928 14.917 -16.306 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.398 12.743 -17.184 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.102 11.529 -17.069 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.961 12.055 -15.602 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.783 14.588 -16.398 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.821 15.682 -16.342 1.00 0.00 C ATOM 1532 C GLU A 102 -3.402 16.880 -15.595 1.00 0.00 C ATOM 1533 O GLU A 102 -4.603 16.938 -15.331 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.407 16.100 -17.754 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.179 15.368 -18.270 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.184 15.212 -19.778 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.762 14.219 -20.269 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.611 16.081 -20.468 1.00 0.00 O ATOM 0 H GLU A 102 -3.936 14.209 -17.332 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.941 15.331 -15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.239 15.922 -18.435 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.211 17.172 -17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.283 15.911 -17.968 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.126 14.383 -17.807 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.541 17.834 -15.257 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.967 19.031 -14.542 1.00 0.00 C ATOM 1547 C LYS A 103 -2.423 20.288 -15.214 1.00 0.00 C ATOM 1548 O LYS A 103 -1.417 20.256 -15.922 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.498 18.974 -13.087 1.00 0.00 C ATOM 1550 CG LYS A 103 -1.075 19.466 -12.886 1.00 0.00 C ATOM 1551 CD LYS A 103 -0.060 18.476 -13.432 1.00 0.00 C ATOM 1552 CE LYS A 103 0.824 19.113 -14.494 1.00 0.00 C ATOM 1553 NZ LYS A 103 0.696 18.425 -15.808 1.00 0.00 N ATOM 0 H LYS A 103 -1.543 17.801 -15.467 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.056 19.070 -14.565 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.171 19.574 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.572 17.947 -12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.949 20.429 -13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.892 19.628 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.560 18.102 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.580 17.617 -13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.557 20.164 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.864 19.082 -14.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.569 18.560 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.538 17.409 -15.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.108 18.825 -16.332 1.00 0.00 H new