USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 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 Set 1.1: A 51 LYS NZ :NH3+ -179:sc= 0.824 (180deg=0) USER MOD Set 1.2: A 52 THR OG1 : rot -159:sc= 0.672 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.055) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -112:sc= 0.448 USER MOD Single : A 38 SER OG : rot 180:sc= -0.631 USER MOD Single : A 41 ASN : amide:sc= -0.0712 K(o=-0.071,f=-1) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.4) USER MOD Single : A 57 ASN : amide:sc= 0.202 X(o=0.2,f=-0.0041) USER MOD Single : A 60 ASN : amide:sc= 0.0835 K(o=0.083,f=-3.1!) USER MOD Single : A 65 GLN : amide:sc= -2.01! K(o=-2!,f=-1.4) USER MOD Single : A 69 TYR OH : rot -148:sc= 0.646 USER MOD Single : A 70 HIS : no HD1:sc= -2.15 X(o=-2.2,f=-2.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.95! C(o=-2.9!,f=-5.1!) USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= -0.509 (180deg=-2.24!) USER MOD Single : A 82 SER OG : rot -86:sc= 0.267 USER MOD Single : A 84 THR OG1 : rot -23:sc= 0.62 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.82 K(o=-0.82,f=-5.9!) USER MOD Single : A 95 SER OG : rot 33:sc= 0.884 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= 0.0405 (180deg=0.0055) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -14.977 -7.173 10.126 1.00 0.00 N ATOM 174 CA VAL A 14 -15.302 -5.938 9.423 1.00 0.00 C ATOM 175 C VAL A 14 -16.302 -6.193 8.300 1.00 0.00 C ATOM 176 O VAL A 14 -16.193 -7.177 7.568 1.00 0.00 O ATOM 177 CB VAL A 14 -14.041 -5.280 8.832 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.417 -4.087 7.967 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.088 -4.865 9.943 1.00 0.00 C ATOM 0 HA VAL A 14 -15.745 -5.264 10.156 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.532 -6.009 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.513 -3.635 7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.059 -4.418 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.949 -3.352 8.572 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.202 -4.402 9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.585 -4.152 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.793 -5.744 10.517 1.00 0.00 H new ATOM 189 N HIS A 15 -17.277 -5.298 8.170 1.00 0.00 N ATOM 190 CA HIS A 15 -18.297 -5.425 7.135 1.00 0.00 C ATOM 191 C HIS A 15 -18.386 -4.150 6.301 1.00 0.00 C ATOM 192 O HIS A 15 -18.836 -3.111 6.785 1.00 0.00 O ATOM 193 CB HIS A 15 -19.656 -5.733 7.764 1.00 0.00 C ATOM 194 CG HIS A 15 -19.792 -7.150 8.231 1.00 0.00 C ATOM 195 ND1 HIS A 15 -20.278 -8.162 7.431 1.00 0.00 N ATOM 196 CD2 HIS A 15 -19.501 -7.720 9.423 1.00 0.00 C ATOM 197 CE1 HIS A 15 -20.282 -9.294 8.112 1.00 0.00 C ATOM 198 NE2 HIS A 15 -19.815 -9.054 9.324 1.00 0.00 N ATOM 0 H HIS A 15 -17.382 -4.478 8.768 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.014 -6.248 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.816 -5.064 8.609 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.440 -5.522 7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.097 -7.220 10.291 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.611 -10.253 7.741 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.705 -9.746 10.065 1.00 0.00 H new ATOM 206 N ILE A 16 -17.954 -4.237 5.048 1.00 0.00 N ATOM 207 CA ILE A 16 -17.986 -3.091 4.148 1.00 0.00 C ATOM 208 C ILE A 16 -19.407 -2.562 3.981 1.00 0.00 C ATOM 209 O ILE A 16 -20.186 -3.089 3.186 1.00 0.00 O ATOM 210 CB ILE A 16 -17.417 -3.447 2.762 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.977 -3.947 2.891 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.484 -2.242 1.836 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.016 -2.896 3.402 1.00 0.00 C ATOM 0 H ILE A 16 -17.578 -5.089 4.633 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.364 -2.318 4.600 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.022 -4.245 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.957 -4.804 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.634 -4.299 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.078 -2.510 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.521 -1.927 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.901 -1.425 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.014 -3.320 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -15.006 -2.048 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.334 -2.561 4.389 1.00 0.00 H new ATOM 225 N ILE A 17 -19.736 -1.518 4.734 1.00 0.00 N ATOM 226 CA ILE A 17 -21.062 -0.917 4.667 1.00 0.00 C ATOM 227 C ILE A 17 -21.263 -0.173 3.351 1.00 0.00 C ATOM 228 O ILE A 17 -22.138 -0.520 2.558 1.00 0.00 O ATOM 229 CB ILE A 17 -21.297 0.059 5.835 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.884 -0.587 7.159 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.756 0.488 5.882 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.084 0.312 8.359 1.00 0.00 C ATOM 0 H ILE A 17 -19.103 -1.071 5.397 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.782 -1.733 4.734 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.683 0.945 5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.458 -1.503 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.834 -0.874 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.906 1.178 6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.020 0.983 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.389 -0.389 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.770 -0.211 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.489 1.217 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.138 0.579 8.442 1.00 0.00 H new ATOM 244 N GLU A 18 -20.445 0.850 3.124 1.00 0.00 N ATOM 245 CA GLU A 18 -20.532 1.642 1.903 1.00 0.00 C ATOM 246 C GLU A 18 -19.172 1.738 1.218 1.00 0.00 C ATOM 247 O GLU A 18 -18.443 2.713 1.397 1.00 0.00 O ATOM 248 CB GLU A 18 -21.059 3.044 2.214 1.00 0.00 C ATOM 249 CG GLU A 18 -22.295 3.048 3.098 1.00 0.00 C ATOM 250 CD GLU A 18 -22.827 4.445 3.351 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.347 5.392 2.694 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.723 4.591 4.208 1.00 0.00 O ATOM 0 H GLU A 18 -19.715 1.150 3.770 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.226 1.143 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.272 3.619 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.291 3.552 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.074 2.446 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.057 2.576 4.051 1.00 0.00 H new ATOM 259 N ASP A 19 -18.837 0.718 0.435 1.00 0.00 N ATOM 260 CA ASP A 19 -17.565 0.687 -0.278 1.00 0.00 C ATOM 261 C ASP A 19 -17.359 1.969 -1.078 1.00 0.00 C ATOM 262 O ASP A 19 -18.315 2.683 -1.384 1.00 0.00 O ATOM 263 CB ASP A 19 -17.508 -0.525 -1.209 1.00 0.00 C ATOM 264 CG ASP A 19 -16.087 -0.923 -1.555 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.484 -0.267 -2.429 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.577 -1.891 -0.951 1.00 0.00 O ATOM 0 H ASP A 19 -19.428 -0.098 0.278 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.765 0.608 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.013 -1.367 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.053 -0.301 -2.126 1.00 0.00 H new ATOM 271 N LEU A 20 -16.106 2.255 -1.413 1.00 0.00 N ATOM 272 CA LEU A 20 -15.773 3.453 -2.178 1.00 0.00 C ATOM 273 C LEU A 20 -16.558 3.500 -3.485 1.00 0.00 C ATOM 274 O LEU A 20 -17.302 2.574 -3.806 1.00 0.00 O ATOM 275 CB LEU A 20 -14.272 3.495 -2.469 1.00 0.00 C ATOM 276 CG LEU A 20 -13.349 3.277 -1.270 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.146 2.435 -1.668 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.901 4.611 -0.692 1.00 0.00 C ATOM 0 H LEU A 20 -15.304 1.675 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.045 4.323 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.046 2.736 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.035 4.462 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.904 2.739 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.500 2.290 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.485 1.466 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.589 2.945 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.245 4.436 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.363 5.176 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.773 5.178 -0.368 1.00 0.00 H new ATOM 290 N GLU A 21 -16.384 4.584 -4.235 1.00 0.00 N ATOM 291 CA GLU A 21 -17.076 4.750 -5.507 1.00 0.00 C ATOM 292 C GLU A 21 -16.079 4.945 -6.647 1.00 0.00 C ATOM 293 O GLU A 21 -15.829 4.029 -7.430 1.00 0.00 O ATOM 294 CB GLU A 21 -18.032 5.943 -5.442 1.00 0.00 C ATOM 295 CG GLU A 21 -17.647 6.975 -4.394 1.00 0.00 C ATOM 296 CD GLU A 21 -18.173 8.359 -4.718 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.149 8.457 -5.491 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.609 9.345 -4.200 1.00 0.00 O ATOM 0 H GLU A 21 -15.770 5.359 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.650 3.844 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.065 6.425 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.038 5.581 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.031 6.662 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.561 7.014 -4.309 1.00 0.00 H new ATOM 305 N ASP A 22 -15.515 6.145 -6.732 1.00 0.00 N ATOM 306 CA ASP A 22 -14.545 6.461 -7.774 1.00 0.00 C ATOM 307 C ASP A 22 -14.065 7.904 -7.650 1.00 0.00 C ATOM 308 O ASP A 22 -14.694 8.723 -6.979 1.00 0.00 O ATOM 309 CB ASP A 22 -15.157 6.232 -9.157 1.00 0.00 C ATOM 310 CG ASP A 22 -16.565 6.784 -9.266 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.711 7.968 -9.638 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.521 6.034 -8.979 1.00 0.00 O ATOM 0 H ASP A 22 -15.713 6.914 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.688 5.799 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.527 6.701 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.171 5.164 -9.372 1.00 0.00 H new ATOM 317 N VAL A 23 -12.947 8.208 -8.300 1.00 0.00 N ATOM 318 CA VAL A 23 -12.382 9.552 -8.263 1.00 0.00 C ATOM 319 C VAL A 23 -11.627 9.867 -9.549 1.00 0.00 C ATOM 320 O VAL A 23 -10.992 8.992 -10.139 1.00 0.00 O ATOM 321 CB VAL A 23 -11.429 9.728 -7.065 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.829 11.125 -7.061 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.158 9.447 -5.760 1.00 0.00 C ATOM 0 H VAL A 23 -12.414 7.542 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.218 10.243 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.615 9.010 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.159 11.231 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.270 11.284 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.627 11.864 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.470 9.576 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.993 10.140 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.534 8.424 -5.766 1.00 0.00 H new ATOM 333 N ASP A 24 -11.700 11.122 -9.979 1.00 0.00 N ATOM 334 CA ASP A 24 -11.021 11.553 -11.196 1.00 0.00 C ATOM 335 C ASP A 24 -10.707 13.045 -11.143 1.00 0.00 C ATOM 336 O ASP A 24 -11.600 13.883 -11.270 1.00 0.00 O ATOM 337 CB ASP A 24 -11.882 11.244 -12.422 1.00 0.00 C ATOM 338 CG ASP A 24 -13.299 11.763 -12.281 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.048 11.221 -11.441 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.660 12.710 -13.011 1.00 0.00 O ATOM 0 H ASP A 24 -12.222 11.858 -9.504 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.082 11.005 -11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.422 11.687 -13.306 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.907 10.166 -12.582 1.00 0.00 H new ATOM 345 N VAL A 25 -9.432 13.370 -10.953 1.00 0.00 N ATOM 346 CA VAL A 25 -9.000 14.761 -10.883 1.00 0.00 C ATOM 347 C VAL A 25 -7.575 14.920 -11.403 1.00 0.00 C ATOM 348 O VAL A 25 -6.828 13.947 -11.500 1.00 0.00 O ATOM 349 CB VAL A 25 -9.072 15.299 -9.442 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.472 15.119 -8.874 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.039 14.610 -8.564 1.00 0.00 C ATOM 0 H VAL A 25 -8.680 12.689 -10.845 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.680 15.336 -11.512 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.847 16.365 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.504 15.505 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.188 15.663 -9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.729 14.060 -8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.104 15.002 -7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.230 13.537 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.041 14.796 -8.962 1.00 0.00 H new ATOM 361 N GLN A 26 -7.207 16.153 -11.734 1.00 0.00 N ATOM 362 CA GLN A 26 -5.871 16.440 -12.244 1.00 0.00 C ATOM 363 C GLN A 26 -4.804 16.043 -11.230 1.00 0.00 C ATOM 364 O GLN A 26 -4.971 16.248 -10.028 1.00 0.00 O ATOM 365 CB GLN A 26 -5.740 17.925 -12.585 1.00 0.00 C ATOM 366 CG GLN A 26 -5.587 18.818 -11.364 1.00 0.00 C ATOM 367 CD GLN A 26 -6.229 20.179 -11.552 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.585 21.212 -11.369 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.505 20.186 -11.918 1.00 0.00 N ATOM 0 H GLN A 26 -7.814 16.969 -11.658 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.722 15.852 -13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.878 18.065 -13.237 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.620 18.239 -13.147 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.034 18.326 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.527 18.948 -11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.000 19.305 -12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.990 21.072 -12.059 1.00 0.00 H new ATOM 378 N GLU A 27 -3.709 15.472 -11.722 1.00 0.00 N ATOM 379 CA GLU A 27 -2.616 15.046 -10.857 1.00 0.00 C ATOM 380 C GLU A 27 -2.080 16.217 -10.039 1.00 0.00 C ATOM 381 O GLU A 27 -2.079 17.359 -10.497 1.00 0.00 O ATOM 382 CB GLU A 27 -1.488 14.431 -11.688 1.00 0.00 C ATOM 383 CG GLU A 27 -0.568 15.461 -12.322 1.00 0.00 C ATOM 384 CD GLU A 27 0.761 15.578 -11.602 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.772 15.485 -10.357 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.791 15.763 -12.284 1.00 0.00 O ATOM 0 H GLU A 27 -3.556 15.294 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.003 14.293 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.898 13.771 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.922 13.812 -12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.390 15.192 -13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.063 16.432 -12.324 1.00 0.00 H new ATOM 393 N GLY A 28 -1.624 15.925 -8.825 1.00 0.00 N ATOM 394 CA GLY A 28 -1.092 16.963 -7.962 1.00 0.00 C ATOM 395 C GLY A 28 -2.121 17.482 -6.977 1.00 0.00 C ATOM 396 O GLY A 28 -1.769 18.052 -5.944 1.00 0.00 O ATOM 0 H GLY A 28 -1.614 14.987 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.234 16.572 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.730 17.789 -8.574 1.00 0.00 H new ATOM 400 N SER A 29 -3.396 17.286 -7.297 1.00 0.00 N ATOM 401 CA SER A 29 -4.479 17.743 -6.435 1.00 0.00 C ATOM 402 C SER A 29 -4.756 16.731 -5.328 1.00 0.00 C ATOM 403 O SER A 29 -4.061 15.723 -5.205 1.00 0.00 O ATOM 404 CB SER A 29 -5.749 17.977 -7.257 1.00 0.00 C ATOM 405 OG SER A 29 -5.656 19.176 -8.008 1.00 0.00 O ATOM 0 H SER A 29 -3.704 16.814 -8.147 1.00 0.00 H new ATOM 0 HA SER A 29 -4.173 18.683 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.911 17.135 -7.929 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.612 18.026 -6.593 1.00 0.00 H new ATOM 0 HG SER A 29 -6.478 19.302 -8.526 1.00 0.00 H new ATOM 411 N SER A 30 -5.778 17.008 -4.524 1.00 0.00 N ATOM 412 CA SER A 30 -6.146 16.125 -3.424 1.00 0.00 C ATOM 413 C SER A 30 -7.425 15.358 -3.747 1.00 0.00 C ATOM 414 O SER A 30 -8.497 15.947 -3.884 1.00 0.00 O ATOM 415 CB SER A 30 -6.332 16.930 -2.136 1.00 0.00 C ATOM 416 OG SER A 30 -5.514 18.087 -2.135 1.00 0.00 O ATOM 0 H SER A 30 -6.366 17.837 -4.614 1.00 0.00 H new ATOM 0 HA SER A 30 -5.339 15.407 -3.282 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.378 17.220 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.087 16.307 -1.276 1.00 0.00 H new ATOM 0 HG SER A 30 -5.653 18.585 -1.302 1.00 0.00 H new ATOM 422 N ALA A 31 -7.303 14.040 -3.867 1.00 0.00 N ATOM 423 CA ALA A 31 -8.449 13.192 -4.172 1.00 0.00 C ATOM 424 C ALA A 31 -9.068 12.627 -2.898 1.00 0.00 C ATOM 425 O ALA A 31 -8.367 12.092 -2.038 1.00 0.00 O ATOM 426 CB ALA A 31 -8.036 12.064 -5.106 1.00 0.00 C ATOM 0 H ALA A 31 -6.423 13.537 -3.758 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.201 13.804 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.901 11.438 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.647 12.484 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.264 11.461 -4.629 1.00 0.00 H new ATOM 432 N THR A 32 -10.387 12.750 -2.781 1.00 0.00 N ATOM 433 CA THR A 32 -11.100 12.254 -1.611 1.00 0.00 C ATOM 434 C THR A 32 -11.635 10.846 -1.850 1.00 0.00 C ATOM 435 O THR A 32 -12.162 10.545 -2.922 1.00 0.00 O ATOM 436 CB THR A 32 -12.272 13.179 -1.234 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.841 14.545 -1.246 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.819 12.826 0.142 1.00 0.00 C ATOM 0 H THR A 32 -10.983 13.189 -3.483 1.00 0.00 H new ATOM 0 HA THR A 32 -10.384 12.234 -0.789 1.00 0.00 H new ATOM 0 HB THR A 32 -13.065 13.042 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.592 15.127 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.646 13.493 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.173 11.795 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.031 12.937 0.886 1.00 0.00 H new ATOM 446 N PHE A 33 -11.499 9.988 -0.845 1.00 0.00 N ATOM 447 CA PHE A 33 -11.969 8.611 -0.946 1.00 0.00 C ATOM 448 C PHE A 33 -12.708 8.194 0.322 1.00 0.00 C ATOM 449 O PHE A 33 -12.095 7.746 1.292 1.00 0.00 O ATOM 450 CB PHE A 33 -10.793 7.666 -1.199 1.00 0.00 C ATOM 451 CG PHE A 33 -10.375 7.600 -2.640 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.071 6.811 -3.542 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.287 8.328 -3.094 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.688 6.749 -4.868 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.900 8.270 -4.419 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.602 7.480 -5.308 1.00 0.00 C ATOM 0 H PHE A 33 -11.067 10.222 0.049 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.662 8.550 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.943 7.988 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.062 6.665 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.922 6.238 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.735 8.948 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.238 6.129 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.049 8.842 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.303 7.434 -6.345 1.00 0.00 H new ATOM 466 N ARG A 34 -14.028 8.346 0.308 1.00 0.00 N ATOM 467 CA ARG A 34 -14.851 7.987 1.456 1.00 0.00 C ATOM 468 C ARG A 34 -15.284 6.526 1.380 1.00 0.00 C ATOM 469 O ARG A 34 -15.486 5.985 0.292 1.00 0.00 O ATOM 470 CB ARG A 34 -16.082 8.892 1.532 1.00 0.00 C ATOM 471 CG ARG A 34 -15.905 10.085 2.457 1.00 0.00 C ATOM 472 CD ARG A 34 -16.882 11.200 2.121 1.00 0.00 C ATOM 473 NE ARG A 34 -16.354 12.516 2.474 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.069 13.634 2.418 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.335 13.596 2.026 1.00 0.00 N ATOM 476 NH2 ARG A 34 -16.518 14.793 2.755 1.00 0.00 N ATOM 0 H ARG A 34 -14.550 8.716 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.252 8.124 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.320 9.251 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.935 8.304 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.052 9.770 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.884 10.459 2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.109 11.174 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.820 11.032 2.650 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.383 12.580 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.762 12.707 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.882 14.456 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.544 14.826 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.068 15.651 2.712 1.00 0.00 H new ATOM 490 N CYS A 35 -15.426 5.895 2.540 1.00 0.00 N ATOM 491 CA CYS A 35 -15.834 4.496 2.604 1.00 0.00 C ATOM 492 C CYS A 35 -16.350 4.144 3.996 1.00 0.00 C ATOM 493 O CYS A 35 -15.643 4.308 4.990 1.00 0.00 O ATOM 494 CB CYS A 35 -14.663 3.584 2.235 1.00 0.00 C ATOM 495 SG CYS A 35 -13.135 3.945 3.131 1.00 0.00 S ATOM 0 H CYS A 35 -15.265 6.329 3.449 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.642 4.345 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.948 2.549 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.473 3.670 1.165 1.00 0.00 H new ATOM 0 HG CYS A 35 -12.249 4.416 2.305 1.00 0.00 H new ATOM 501 N ARG A 36 -17.587 3.661 4.058 1.00 0.00 N ATOM 502 CA ARG A 36 -18.198 3.288 5.327 1.00 0.00 C ATOM 503 C ARG A 36 -17.920 1.824 5.656 1.00 0.00 C ATOM 504 O ARG A 36 -18.430 0.921 4.993 1.00 0.00 O ATOM 505 CB ARG A 36 -19.708 3.534 5.282 1.00 0.00 C ATOM 506 CG ARG A 36 -20.335 3.725 6.653 1.00 0.00 C ATOM 507 CD ARG A 36 -21.845 3.879 6.559 1.00 0.00 C ATOM 508 NE ARG A 36 -22.472 3.949 7.876 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.786 3.948 8.065 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.609 3.882 7.027 1.00 0.00 N ATOM 511 NH2 ARG A 36 -24.281 4.014 9.295 1.00 0.00 N ATOM 0 H ARG A 36 -18.185 3.519 3.244 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.758 3.907 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.906 4.418 4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.190 2.692 4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.094 2.871 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.907 4.607 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.083 4.782 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.261 3.038 6.004 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.867 4.002 8.696 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.233 3.832 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.618 3.881 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.652 4.066 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -25.291 4.013 9.439 1.00 0.00 H new ATOM 525 N ILE A 37 -17.108 1.598 6.684 1.00 0.00 N ATOM 526 CA ILE A 37 -16.763 0.245 7.100 1.00 0.00 C ATOM 527 C ILE A 37 -17.020 0.046 8.590 1.00 0.00 C ATOM 528 O ILE A 37 -16.626 0.870 9.414 1.00 0.00 O ATOM 529 CB ILE A 37 -15.288 -0.078 6.798 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.366 0.832 7.613 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.007 0.070 5.310 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.774 0.158 8.831 1.00 0.00 C ATOM 0 H ILE A 37 -16.677 2.334 7.243 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.399 -0.432 6.530 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.092 -1.111 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.557 1.183 6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.926 1.712 7.931 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.960 -0.162 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.642 -0.616 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.217 1.094 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.132 0.862 9.360 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.577 -0.169 9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.187 -0.706 8.519 1.00 0.00 H new ATOM 544 N SER A 38 -17.684 -1.055 8.928 1.00 0.00 N ATOM 545 CA SER A 38 -17.996 -1.363 10.319 1.00 0.00 C ATOM 546 C SER A 38 -16.913 -2.242 10.938 1.00 0.00 C ATOM 547 O SER A 38 -16.242 -3.017 10.256 1.00 0.00 O ATOM 548 CB SER A 38 -19.354 -2.062 10.417 1.00 0.00 C ATOM 549 OG SER A 38 -19.387 -2.960 11.512 1.00 0.00 O ATOM 0 H SER A 38 -18.016 -1.748 8.258 1.00 0.00 H new ATOM 0 HA SER A 38 -18.037 -0.425 10.872 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.142 -1.318 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.556 -2.603 9.493 1.00 0.00 H new ATOM 0 HG SER A 38 -20.265 -3.393 11.554 1.00 0.00 H new ATOM 555 N PRO A 39 -16.738 -2.119 12.262 1.00 0.00 N ATOM 556 CA PRO A 39 -17.530 -1.199 13.083 1.00 0.00 C ATOM 557 C PRO A 39 -17.195 0.262 12.805 1.00 0.00 C ATOM 558 O PRO A 39 -16.252 0.564 12.073 1.00 0.00 O ATOM 559 CB PRO A 39 -17.137 -1.574 14.515 1.00 0.00 C ATOM 560 CG PRO A 39 -15.778 -2.171 14.390 1.00 0.00 C ATOM 561 CD PRO A 39 -15.752 -2.868 13.058 1.00 0.00 C ATOM 0 HA PRO A 39 -18.597 -1.289 12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.127 -0.699 15.165 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.843 -2.283 14.947 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.008 -1.402 14.443 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.584 -2.873 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.761 -2.834 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.024 -3.919 13.149 1.00 0.00 H new ATOM 569 N ALA A 40 -17.972 1.165 13.393 1.00 0.00 N ATOM 570 CA ALA A 40 -17.756 2.595 13.210 1.00 0.00 C ATOM 571 C ALA A 40 -16.580 3.084 14.049 1.00 0.00 C ATOM 572 O ALA A 40 -16.206 4.254 13.987 1.00 0.00 O ATOM 573 CB ALA A 40 -19.017 3.369 13.564 1.00 0.00 C ATOM 0 H ALA A 40 -18.757 0.932 14.001 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.518 2.770 12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.841 4.435 13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.834 3.047 12.919 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.280 3.179 14.605 1.00 0.00 H new ATOM 579 N ASN A 41 -16.002 2.180 14.832 1.00 0.00 N ATOM 580 CA ASN A 41 -14.868 2.521 15.685 1.00 0.00 C ATOM 581 C ASN A 41 -13.667 1.633 15.373 1.00 0.00 C ATOM 582 O ASN A 41 -12.888 1.291 16.263 1.00 0.00 O ATOM 583 CB ASN A 41 -15.252 2.380 17.159 1.00 0.00 C ATOM 584 CG ASN A 41 -16.125 1.167 17.416 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.742 0.037 17.113 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.306 1.397 17.979 1.00 0.00 N ATOM 0 H ASN A 41 -16.299 1.206 14.894 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.593 3.557 15.486 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.347 2.307 17.762 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.779 3.278 17.482 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.937 0.620 18.177 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.582 2.351 18.213 1.00 0.00 H new ATOM 593 N TYR A 42 -13.524 1.264 14.105 1.00 0.00 N ATOM 594 CA TYR A 42 -12.419 0.415 13.676 1.00 0.00 C ATOM 595 C TYR A 42 -11.203 1.254 13.296 1.00 0.00 C ATOM 596 O TYR A 42 -11.317 2.230 12.556 1.00 0.00 O ATOM 597 CB TYR A 42 -12.846 -0.452 12.491 1.00 0.00 C ATOM 598 CG TYR A 42 -11.834 -1.513 12.122 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.711 -1.198 11.367 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.000 -2.831 12.529 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.784 -2.165 11.027 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.078 -3.804 12.195 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.972 -3.466 11.444 1.00 0.00 C ATOM 604 OH TYR A 42 -9.051 -4.432 11.109 1.00 0.00 O ATOM 0 H TYR A 42 -14.159 1.540 13.356 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.145 -0.231 14.510 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.795 -0.933 12.727 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.020 0.189 11.627 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.560 -0.180 11.040 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.865 -3.100 13.117 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.917 -1.903 10.438 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.223 -4.824 12.520 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.331 -5.294 11.481 1.00 0.00 H new ATOM 614 N GLU A 43 -10.040 0.864 13.808 1.00 0.00 N ATOM 615 CA GLU A 43 -8.802 1.580 13.522 1.00 0.00 C ATOM 616 C GLU A 43 -7.621 0.933 14.240 1.00 0.00 C ATOM 617 O GLU A 43 -7.782 0.196 15.213 1.00 0.00 O ATOM 618 CB GLU A 43 -8.926 3.046 13.942 1.00 0.00 C ATOM 619 CG GLU A 43 -9.789 3.255 15.175 1.00 0.00 C ATOM 620 CD GLU A 43 -9.509 4.576 15.866 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.793 5.413 15.277 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.005 4.773 16.995 1.00 0.00 O ATOM 0 H GLU A 43 -9.929 0.057 14.422 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.624 1.531 12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.930 3.446 14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.345 3.618 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.840 3.214 14.889 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.617 2.439 15.877 1.00 0.00 H new ATOM 629 N PRO A 44 -6.405 1.213 13.749 1.00 0.00 N ATOM 630 CA PRO A 44 -6.201 2.089 12.590 1.00 0.00 C ATOM 631 C PRO A 44 -6.687 1.454 11.292 1.00 0.00 C ATOM 632 O PRO A 44 -7.131 0.306 11.278 1.00 0.00 O ATOM 633 CB PRO A 44 -4.684 2.283 12.555 1.00 0.00 C ATOM 634 CG PRO A 44 -4.131 1.077 13.232 1.00 0.00 C ATOM 635 CD PRO A 44 -5.135 0.697 14.285 1.00 0.00 C ATOM 0 HA PRO A 44 -6.761 3.020 12.678 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.319 2.364 11.531 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.390 3.197 13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.984 0.264 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.160 1.291 13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.171 -0.382 14.435 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.895 1.145 15.249 1.00 0.00 H new ATOM 643 N VAL A 45 -6.600 2.209 10.201 1.00 0.00 N ATOM 644 CA VAL A 45 -7.030 1.720 8.896 1.00 0.00 C ATOM 645 C VAL A 45 -5.870 1.701 7.907 1.00 0.00 C ATOM 646 O VAL A 45 -4.970 2.540 7.972 1.00 0.00 O ATOM 647 CB VAL A 45 -8.168 2.583 8.320 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.471 2.307 9.053 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.806 4.059 8.394 1.00 0.00 C ATOM 0 H VAL A 45 -6.236 3.162 10.195 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.395 0.703 9.043 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.307 2.319 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.263 2.926 8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.735 1.255 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.350 2.542 10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.621 4.655 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.639 4.341 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.898 4.240 7.819 1.00 0.00 H new ATOM 659 N HIS A 46 -5.896 0.739 6.991 1.00 0.00 N ATOM 660 CA HIS A 46 -4.846 0.611 5.986 1.00 0.00 C ATOM 661 C HIS A 46 -5.353 1.042 4.613 1.00 0.00 C ATOM 662 O HIS A 46 -6.507 0.796 4.261 1.00 0.00 O ATOM 663 CB HIS A 46 -4.341 -0.831 5.926 1.00 0.00 C ATOM 664 CG HIS A 46 -3.933 -1.378 7.259 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.240 -0.640 8.195 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.125 -2.599 7.811 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.022 -1.384 9.265 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.549 -2.577 9.058 1.00 0.00 N ATOM 0 H HIS A 46 -6.632 0.036 6.923 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.022 1.265 6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.123 -1.464 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.491 -0.882 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.636 -3.435 7.356 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.501 -1.070 10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.531 -3.356 9.717 1.00 0.00 H new ATOM 676 N TRP A 47 -4.484 1.687 3.843 1.00 0.00 N ATOM 677 CA TRP A 47 -4.845 2.154 2.509 1.00 0.00 C ATOM 678 C TRP A 47 -3.730 1.861 1.511 1.00 0.00 C ATOM 679 O TRP A 47 -2.561 2.145 1.770 1.00 0.00 O ATOM 680 CB TRP A 47 -5.143 3.654 2.534 1.00 0.00 C ATOM 681 CG TRP A 47 -6.383 4.000 3.302 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.568 3.893 4.651 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.610 4.506 2.765 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.837 4.303 4.985 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.495 4.685 3.846 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.046 4.828 1.477 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.789 5.170 3.676 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.331 5.309 1.310 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.190 5.477 2.404 1.00 0.00 C ATOM 0 H TRP A 47 -3.525 1.899 4.119 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.741 1.619 2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.294 4.179 2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.246 4.014 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.827 3.539 5.352 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.225 4.320 5.928 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.391 4.703 0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.453 5.299 4.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.679 5.560 0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.188 5.856 2.240 1.00 0.00 H new ATOM 700 N PHE A 48 -4.100 1.292 0.368 1.00 0.00 N ATOM 701 CA PHE A 48 -3.130 0.961 -0.670 1.00 0.00 C ATOM 702 C PHE A 48 -3.588 1.482 -2.029 1.00 0.00 C ATOM 703 O PHE A 48 -4.765 1.789 -2.224 1.00 0.00 O ATOM 704 CB PHE A 48 -2.920 -0.553 -0.736 1.00 0.00 C ATOM 705 CG PHE A 48 -2.417 -1.145 0.550 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.283 -1.382 1.605 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.077 -1.466 0.703 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.822 -1.926 2.789 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.611 -2.010 1.885 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.485 -2.242 2.929 1.00 0.00 C ATOM 0 H PHE A 48 -5.064 1.051 0.137 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.185 1.442 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.862 -1.031 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.211 -0.779 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.330 -1.139 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.389 -1.289 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.507 -2.104 3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.436 -2.253 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.124 -2.670 3.853 1.00 0.00 H new ATOM 720 N LEU A 49 -2.650 1.580 -2.964 1.00 0.00 N ATOM 721 CA LEU A 49 -2.956 2.064 -4.306 1.00 0.00 C ATOM 722 C LEU A 49 -2.224 1.241 -5.362 1.00 0.00 C ATOM 723 O LEU A 49 -1.024 1.413 -5.575 1.00 0.00 O ATOM 724 CB LEU A 49 -2.573 3.539 -4.437 1.00 0.00 C ATOM 725 CG LEU A 49 -2.845 4.185 -5.796 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.652 4.004 -6.721 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.102 3.601 -6.423 1.00 0.00 C ATOM 0 H LEU A 49 -1.672 1.331 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.029 1.958 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.111 4.103 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.510 3.639 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.002 5.253 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.864 4.470 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.773 4.471 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.463 2.941 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.279 4.073 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.975 2.527 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.954 3.784 -5.768 1.00 0.00 H new ATOM 739 N ASP A 50 -2.956 0.350 -6.021 1.00 0.00 N ATOM 740 CA ASP A 50 -2.377 -0.497 -7.058 1.00 0.00 C ATOM 741 C ASP A 50 -1.403 -1.505 -6.455 1.00 0.00 C ATOM 742 O ASP A 50 -1.731 -2.681 -6.292 1.00 0.00 O ATOM 743 CB ASP A 50 -1.662 0.358 -8.105 1.00 0.00 C ATOM 744 CG ASP A 50 -2.370 0.343 -9.446 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.610 0.191 -9.461 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.685 0.484 -10.480 1.00 0.00 O ATOM 0 H ASP A 50 -3.951 0.195 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.187 -1.045 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.592 1.385 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.642 -0.005 -8.232 1.00 0.00 H new ATOM 751 N LYS A 51 -0.204 -1.037 -6.126 1.00 0.00 N ATOM 752 CA LYS A 51 0.819 -1.896 -5.541 1.00 0.00 C ATOM 753 C LYS A 51 1.763 -1.091 -4.654 1.00 0.00 C ATOM 754 O LYS A 51 2.975 -1.310 -4.660 1.00 0.00 O ATOM 755 CB LYS A 51 1.613 -2.601 -6.643 1.00 0.00 C ATOM 756 CG LYS A 51 1.724 -1.793 -7.925 1.00 0.00 C ATOM 757 CD LYS A 51 2.490 -0.499 -7.704 1.00 0.00 C ATOM 758 CE LYS A 51 3.971 -0.760 -7.476 1.00 0.00 C ATOM 759 NZ LYS A 51 4.710 0.491 -7.146 1.00 0.00 N ATOM 0 H LYS A 51 0.084 -0.067 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 51 0.321 -2.645 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.615 -2.820 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.139 -3.557 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.225 -2.388 -8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.726 -1.567 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.363 0.152 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.076 0.028 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.093 -1.478 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.402 -1.212 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.719 0.274 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.601 1.174 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.327 0.900 -6.270 1.00 0.00 H new ATOM 773 N THR A 52 1.201 -0.160 -3.891 1.00 0.00 N ATOM 774 CA THR A 52 1.992 0.677 -2.998 1.00 0.00 C ATOM 775 C THR A 52 1.182 1.101 -1.779 1.00 0.00 C ATOM 776 O THR A 52 0.056 1.586 -1.890 1.00 0.00 O ATOM 777 CB THR A 52 2.509 1.936 -3.720 1.00 0.00 C ATOM 778 OG1 THR A 52 3.182 1.567 -4.928 1.00 0.00 O ATOM 779 CG2 THR A 52 3.456 2.722 -2.825 1.00 0.00 C ATOM 0 H THR A 52 0.200 0.034 -3.873 1.00 0.00 H new ATOM 0 HA THR A 52 2.842 0.077 -2.674 1.00 0.00 H new ATOM 0 HB THR A 52 1.653 2.567 -3.960 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.780 2.292 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.808 3.606 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.932 3.027 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.307 2.096 -2.558 1.00 0.00 H new ATOM 787 N PRO A 53 1.765 0.914 -0.585 1.00 0.00 N ATOM 788 CA PRO A 53 1.114 1.272 0.679 1.00 0.00 C ATOM 789 C PRO A 53 0.995 2.781 0.863 1.00 0.00 C ATOM 790 O PRO A 53 1.776 3.549 0.299 1.00 0.00 O ATOM 791 CB PRO A 53 2.045 0.676 1.738 1.00 0.00 C ATOM 792 CG PRO A 53 3.378 0.608 1.076 1.00 0.00 C ATOM 793 CD PRO A 53 3.105 0.341 -0.378 1.00 0.00 C ATOM 0 HA PRO A 53 0.091 0.898 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.078 1.299 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.708 -0.312 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.926 1.541 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.989 -0.183 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.848 0.815 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.125 -0.726 -0.601 1.00 0.00 H new ATOM 801 N LEU A 54 0.015 3.200 1.655 1.00 0.00 N ATOM 802 CA LEU A 54 -0.206 4.619 1.914 1.00 0.00 C ATOM 803 C LEU A 54 -0.350 4.883 3.409 1.00 0.00 C ATOM 804 O LEU A 54 -1.029 4.141 4.119 1.00 0.00 O ATOM 805 CB LEU A 54 -1.455 5.104 1.176 1.00 0.00 C ATOM 806 CG LEU A 54 -1.447 4.930 -0.343 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.859 4.707 -0.862 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.815 6.140 -1.015 1.00 0.00 C ATOM 0 H LEU A 54 -0.640 2.578 2.129 1.00 0.00 H new ATOM 0 HA LEU A 54 0.661 5.169 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.319 4.574 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.597 6.161 1.400 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.850 4.051 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.834 4.585 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.277 3.810 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.480 5.566 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.818 5.999 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.385 7.035 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.211 6.255 -0.667 1.00 0.00 H new ATOM 820 N HIS A 55 0.292 5.947 3.881 1.00 0.00 N ATOM 821 CA HIS A 55 0.233 6.312 5.292 1.00 0.00 C ATOM 822 C HIS A 55 0.101 7.823 5.458 1.00 0.00 C ATOM 823 O HIS A 55 0.687 8.594 4.699 1.00 0.00 O ATOM 824 CB HIS A 55 1.482 5.815 6.022 1.00 0.00 C ATOM 825 CG HIS A 55 1.840 4.397 5.698 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.099 3.316 6.127 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.868 3.886 4.980 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.656 2.202 5.688 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.731 2.519 4.989 1.00 0.00 N ATOM 0 H HIS A 55 0.859 6.571 3.307 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.647 5.838 5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.323 6.461 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.325 5.905 7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.650 4.448 4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.294 1.201 5.870 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.357 1.857 4.531 1.00 0.00 H new ATOM 837 N ALA A 56 -0.674 8.238 6.455 1.00 0.00 N ATOM 838 CA ALA A 56 -0.882 9.656 6.721 1.00 0.00 C ATOM 839 C ALA A 56 0.447 10.390 6.858 1.00 0.00 C ATOM 840 O ALA A 56 1.336 9.953 7.589 1.00 0.00 O ATOM 841 CB ALA A 56 -1.721 9.840 7.977 1.00 0.00 C ATOM 0 H ALA A 56 -1.168 7.612 7.091 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.417 10.084 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.868 10.904 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.689 9.358 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.207 9.390 8.827 1.00 0.00 H new ATOM 847 N ASN A 57 0.577 11.507 6.150 1.00 0.00 N ATOM 848 CA ASN A 57 1.799 12.301 6.192 1.00 0.00 C ATOM 849 C ASN A 57 1.522 13.748 5.796 1.00 0.00 C ATOM 850 O ASN A 57 0.368 14.162 5.689 1.00 0.00 O ATOM 851 CB ASN A 57 2.856 11.699 5.264 1.00 0.00 C ATOM 852 CG ASN A 57 4.206 11.558 5.939 1.00 0.00 C ATOM 853 OD1 ASN A 57 5.205 12.109 5.476 1.00 0.00 O ATOM 854 ND2 ASN A 57 4.242 10.815 7.039 1.00 0.00 N ATOM 0 H ASN A 57 -0.149 11.883 5.540 1.00 0.00 H new ATOM 0 HA ASN A 57 2.175 12.289 7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.520 10.720 4.922 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.959 12.328 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.123 10.682 7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.389 10.377 7.387 1.00 0.00 H new ATOM 861 N GLU A 58 2.589 14.511 5.578 1.00 0.00 N ATOM 862 CA GLU A 58 2.460 15.912 5.193 1.00 0.00 C ATOM 863 C GLU A 58 1.531 16.062 3.991 1.00 0.00 C ATOM 864 O GLU A 58 0.862 17.085 3.833 1.00 0.00 O ATOM 865 CB GLU A 58 3.833 16.503 4.867 1.00 0.00 C ATOM 866 CG GLU A 58 3.769 17.902 4.279 1.00 0.00 C ATOM 867 CD GLU A 58 4.750 18.856 4.934 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.927 18.474 5.099 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.340 19.983 5.282 1.00 0.00 O ATOM 0 H GLU A 58 3.551 14.183 5.661 1.00 0.00 H new ATOM 0 HA GLU A 58 2.029 16.455 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.434 16.527 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.345 15.846 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.975 17.852 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.758 18.293 4.391 1.00 0.00 H new ATOM 876 N LEU A 59 1.495 15.038 3.147 1.00 0.00 N ATOM 877 CA LEU A 59 0.649 15.055 1.959 1.00 0.00 C ATOM 878 C LEU A 59 -0.557 14.138 2.135 1.00 0.00 C ATOM 879 O LEU A 59 -1.687 14.519 1.836 1.00 0.00 O ATOM 880 CB LEU A 59 1.454 14.627 0.730 1.00 0.00 C ATOM 881 CG LEU A 59 2.856 15.224 0.604 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.660 14.482 -0.452 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.776 16.707 0.272 1.00 0.00 C ATOM 0 H LEU A 59 2.042 14.185 3.263 1.00 0.00 H new ATOM 0 HA LEU A 59 0.289 16.074 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.543 13.541 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.886 14.893 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 59 3.364 15.113 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.655 14.921 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.747 13.432 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.155 14.560 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.783 17.115 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.248 16.840 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.239 17.229 1.064 1.00 0.00 H new ATOM 895 N ASN A 60 -0.307 12.928 2.625 1.00 0.00 N ATOM 896 CA ASN A 60 -1.373 11.956 2.844 1.00 0.00 C ATOM 897 C ASN A 60 -2.251 12.369 4.021 1.00 0.00 C ATOM 898 O ASN A 60 -1.751 12.773 5.069 1.00 0.00 O ATOM 899 CB ASN A 60 -0.782 10.568 3.096 1.00 0.00 C ATOM 900 CG ASN A 60 0.422 10.283 2.218 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.518 10.785 2.467 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.221 9.475 1.184 1.00 0.00 N ATOM 0 H ASN A 60 0.624 12.597 2.878 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.991 11.922 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.492 10.484 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.547 9.812 2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.993 9.247 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.705 9.082 1.016 1.00 0.00 H new ATOM 909 N GLU A 61 -3.564 12.263 3.838 1.00 0.00 N ATOM 910 CA GLU A 61 -4.512 12.626 4.885 1.00 0.00 C ATOM 911 C GLU A 61 -5.562 11.534 5.069 1.00 0.00 C ATOM 912 O GLU A 61 -6.231 11.135 4.115 1.00 0.00 O ATOM 913 CB GLU A 61 -5.194 13.954 4.549 1.00 0.00 C ATOM 914 CG GLU A 61 -5.390 14.859 5.753 1.00 0.00 C ATOM 915 CD GLU A 61 -6.343 14.271 6.776 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.409 13.763 6.369 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.022 14.318 7.982 1.00 0.00 O ATOM 0 H GLU A 61 -3.995 11.929 2.976 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.960 12.736 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.599 14.480 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.164 13.750 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.425 15.044 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.771 15.824 5.419 1.00 0.00 H new ATOM 924 N ILE A 62 -5.701 11.057 6.301 1.00 0.00 N ATOM 925 CA ILE A 62 -6.670 10.012 6.611 1.00 0.00 C ATOM 926 C ILE A 62 -7.509 10.384 7.828 1.00 0.00 C ATOM 927 O ILE A 62 -7.107 10.148 8.968 1.00 0.00 O ATOM 928 CB ILE A 62 -5.977 8.662 6.872 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.168 8.233 5.646 1.00 0.00 C ATOM 930 CG2 ILE A 62 -7.006 7.600 7.232 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.800 7.684 5.986 1.00 0.00 C ATOM 0 H ILE A 62 -5.155 11.377 7.101 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.320 9.915 5.741 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.293 8.778 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.728 7.476 5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.052 9.088 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.501 6.651 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.543 7.903 8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.712 7.484 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.284 7.400 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.221 8.446 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.908 6.809 6.627 1.00 0.00 H new ATOM 943 N ASP A 63 -8.677 10.966 7.579 1.00 0.00 N ATOM 944 CA ASP A 63 -9.575 11.368 8.655 1.00 0.00 C ATOM 945 C ASP A 63 -10.440 10.196 9.108 1.00 0.00 C ATOM 946 O ASP A 63 -10.303 9.081 8.606 1.00 0.00 O ATOM 947 CB ASP A 63 -10.464 12.527 8.200 1.00 0.00 C ATOM 948 CG ASP A 63 -10.245 13.782 9.021 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.310 13.696 10.266 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.008 14.850 8.420 1.00 0.00 O ATOM 0 H ASP A 63 -9.024 11.170 6.642 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.967 11.695 9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.265 12.744 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.510 12.228 8.271 1.00 0.00 H new ATOM 955 N ALA A 64 -11.328 10.457 10.062 1.00 0.00 N ATOM 956 CA ALA A 64 -12.215 9.423 10.582 1.00 0.00 C ATOM 957 C ALA A 64 -13.575 10.005 10.956 1.00 0.00 C ATOM 958 O ALA A 64 -13.926 10.075 12.134 1.00 0.00 O ATOM 959 CB ALA A 64 -11.581 8.741 11.785 1.00 0.00 C ATOM 0 H ALA A 64 -11.452 11.374 10.490 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.369 8.682 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.254 7.971 12.163 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.637 8.284 11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.397 9.478 12.566 1.00 0.00 H new ATOM 965 N GLN A 65 -14.334 10.420 9.948 1.00 0.00 N ATOM 966 CA GLN A 65 -15.654 10.996 10.173 1.00 0.00 C ATOM 967 C GLN A 65 -16.505 10.082 11.048 1.00 0.00 C ATOM 968 O GLN A 65 -16.237 8.888 11.186 1.00 0.00 O ATOM 969 CB GLN A 65 -16.359 11.247 8.838 1.00 0.00 C ATOM 970 CG GLN A 65 -16.076 12.619 8.249 1.00 0.00 C ATOM 971 CD GLN A 65 -16.397 12.696 6.769 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.218 11.932 6.260 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.750 13.620 6.070 1.00 0.00 N ATOM 0 H GLN A 65 -14.058 10.368 8.967 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.525 11.946 10.691 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -16.050 10.484 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.434 11.136 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.661 13.367 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.026 12.867 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.078 14.232 6.533 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.925 13.718 5.070 1.00 0.00 H new ATOM 982 N PRO A 66 -17.557 10.653 11.653 1.00 0.00 N ATOM 983 CA PRO A 66 -18.469 9.907 12.525 1.00 0.00 C ATOM 984 C PRO A 66 -19.330 8.914 11.751 1.00 0.00 C ATOM 985 O PRO A 66 -19.839 9.227 10.675 1.00 0.00 O ATOM 986 CB PRO A 66 -19.342 11.001 13.145 1.00 0.00 C ATOM 987 CG PRO A 66 -19.302 12.120 12.162 1.00 0.00 C ATOM 988 CD PRO A 66 -17.937 12.071 11.533 1.00 0.00 C ATOM 0 HA PRO A 66 -17.931 9.306 13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.362 10.651 13.305 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.956 11.313 14.116 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.083 12.006 11.410 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.471 13.078 12.654 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.962 12.394 10.492 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.232 12.721 12.051 1.00 0.00 H new ATOM 996 N GLY A 67 -19.488 7.716 12.305 1.00 0.00 N ATOM 997 CA GLY A 67 -20.288 6.697 11.652 1.00 0.00 C ATOM 998 C GLY A 67 -19.446 5.721 10.855 1.00 0.00 C ATOM 999 O GLY A 67 -19.951 5.033 9.970 1.00 0.00 O ATOM 0 H GLY A 67 -19.076 7.433 13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.858 6.151 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.009 7.175 10.989 1.00 0.00 H new ATOM 1003 N GLY A 68 -18.155 5.662 11.169 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.261 4.762 10.464 1.00 0.00 C ATOM 1005 C GLY A 68 -16.952 5.234 9.058 1.00 0.00 C ATOM 1006 O GLY A 68 -16.776 4.424 8.148 1.00 0.00 O ATOM 0 H GLY A 68 -17.713 6.221 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.331 4.667 11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.710 3.770 10.420 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.887 6.549 8.878 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.601 7.129 7.571 1.00 0.00 C ATOM 1012 C TYR A 69 -15.133 7.530 7.462 1.00 0.00 C ATOM 1013 O TYR A 69 -14.736 8.607 7.908 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.493 8.346 7.324 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.818 8.005 6.679 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.840 7.417 7.414 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.047 8.271 5.335 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -21.051 7.103 6.829 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.256 7.962 4.741 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.254 7.377 5.492 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.460 7.067 4.906 1.00 0.00 O ATOM 0 H TYR A 69 -17.029 7.233 9.621 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.810 6.374 6.813 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.679 8.848 8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.960 9.053 6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.685 7.202 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.267 8.727 4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.835 6.646 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.418 8.177 3.695 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.316 6.831 3.966 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.330 6.654 6.865 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.905 6.916 6.695 1.00 0.00 C ATOM 1033 C HIS A 70 -12.644 7.679 5.400 1.00 0.00 C ATOM 1034 O HIS A 70 -12.807 7.140 4.306 1.00 0.00 O ATOM 1035 CB HIS A 70 -12.120 5.604 6.695 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.067 4.938 8.035 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.283 5.396 9.073 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.707 3.842 8.505 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.443 4.610 10.123 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.302 3.659 9.804 1.00 0.00 N ATOM 0 H HIS A 70 -14.642 5.758 6.491 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.571 7.530 7.531 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.571 4.920 5.976 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.103 5.799 6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.406 3.226 7.960 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.954 4.726 11.079 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.614 2.910 10.422 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.237 8.938 5.532 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.953 9.776 4.373 1.00 0.00 C ATOM 1050 C VAL A 71 -10.453 9.867 4.116 1.00 0.00 C ATOM 1051 O VAL A 71 -9.669 10.113 5.034 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.519 11.196 4.555 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.342 12.009 3.281 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.984 11.138 4.960 1.00 0.00 C ATOM 0 H VAL A 71 -12.097 9.400 6.431 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.438 9.307 3.517 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.964 11.690 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.748 13.010 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.282 12.080 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.870 11.521 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.368 12.151 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.556 10.626 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.080 10.596 5.901 1.00 0.00 H new ATOM 1064 N LEU A 72 -10.060 9.669 2.863 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.653 9.730 2.483 1.00 0.00 C ATOM 1066 C LEU A 72 -8.411 10.838 1.464 1.00 0.00 C ATOM 1067 O LEU A 72 -8.910 10.782 0.339 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.200 8.386 1.910 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.758 8.323 1.405 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.830 7.825 2.503 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.662 7.429 0.177 1.00 0.00 C ATOM 0 H LEU A 72 -10.696 9.465 2.092 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.070 9.951 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.328 7.624 2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.864 8.122 1.087 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.447 9.329 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.808 7.786 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.877 8.503 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.139 6.828 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.629 7.396 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.991 6.422 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.297 7.828 -0.614 1.00 0.00 H new ATOM 1083 N THR A 73 -7.641 11.845 1.863 1.00 0.00 N ATOM 1084 CA THR A 73 -7.331 12.966 0.984 1.00 0.00 C ATOM 1085 C THR A 73 -5.873 12.932 0.543 1.00 0.00 C ATOM 1086 O THR A 73 -5.013 13.568 1.155 1.00 0.00 O ATOM 1087 CB THR A 73 -7.617 14.314 1.672 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.820 14.225 2.444 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.749 15.428 0.645 1.00 0.00 C ATOM 0 H THR A 73 -7.220 11.907 2.790 1.00 0.00 H new ATOM 0 HA THR A 73 -7.974 12.869 0.109 1.00 0.00 H new ATOM 0 HB THR A 73 -6.780 14.545 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.994 15.086 2.879 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.951 16.370 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.821 15.513 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.570 15.200 -0.035 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.599 12.188 -0.523 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.243 12.072 -1.047 1.00 0.00 C ATOM 1099 C LEU A 74 -3.837 13.340 -1.793 1.00 0.00 C ATOM 1100 O LEU A 74 -4.120 13.490 -2.981 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.136 10.863 -1.978 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.993 9.502 -1.297 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.365 8.383 -2.257 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.575 9.312 -0.777 1.00 0.00 C ATOM 0 H LEU A 74 -6.298 11.656 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.565 11.935 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.022 10.838 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.279 11.010 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.677 9.468 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.257 7.422 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.398 8.509 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.707 8.415 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.492 8.338 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.872 9.367 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.344 10.095 -0.055 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.171 14.248 -1.087 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.725 15.502 -1.682 1.00 0.00 C ATOM 1118 C ARG A 75 -1.426 15.304 -2.458 1.00 0.00 C ATOM 1119 O ARG A 75 -0.656 14.388 -2.173 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.528 16.563 -0.598 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.681 16.648 0.389 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.386 17.635 1.507 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.604 18.247 2.033 1.00 0.00 N ATOM 1124 CZ ARG A 75 -4.670 18.857 3.211 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.593 18.937 3.981 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -5.814 19.389 3.621 1.00 0.00 N ATOM 0 H ARG A 75 -2.928 14.139 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.494 15.840 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.609 16.347 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.395 17.535 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.588 16.950 -0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.871 15.662 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.860 17.123 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.720 18.414 1.136 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.450 18.203 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.712 18.530 3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.646 19.406 4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.644 19.330 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.863 19.857 4.526 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.191 16.170 -3.439 1.00 0.00 N ATOM 1141 CA GLN A 76 0.013 16.089 -4.256 1.00 0.00 C ATOM 1142 C GLN A 76 0.105 14.738 -4.958 1.00 0.00 C ATOM 1143 O GLN A 76 1.031 13.962 -4.717 1.00 0.00 O ATOM 1144 CB GLN A 76 1.256 16.314 -3.393 1.00 0.00 C ATOM 1145 CG GLN A 76 1.285 17.671 -2.710 1.00 0.00 C ATOM 1146 CD GLN A 76 2.695 18.170 -2.461 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.670 17.541 -2.873 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.810 19.307 -1.785 1.00 0.00 N ATOM 0 H GLN A 76 -1.818 16.935 -3.687 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.040 16.869 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.307 15.533 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.144 16.211 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.751 18.395 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.754 17.607 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.975 19.795 -1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.734 19.692 -1.588 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.861 14.462 -5.827 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.889 13.204 -6.565 1.00 0.00 C ATOM 1159 C LEU A 77 -0.026 13.289 -7.820 1.00 0.00 C ATOM 1160 O LEU A 77 0.622 14.304 -8.072 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.327 12.845 -6.945 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.173 12.208 -5.842 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.624 12.088 -6.284 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.615 10.843 -5.463 1.00 0.00 C ATOM 0 H LEU A 77 -1.635 15.092 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.484 12.424 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.829 13.751 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.298 12.161 -7.793 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.134 12.852 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.211 11.633 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.020 13.079 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.682 11.466 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.229 10.404 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.624 10.191 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.592 10.955 -5.104 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.025 12.216 -8.605 1.00 0.00 N ATOM 1177 CA ALA A 78 0.755 12.171 -9.835 1.00 0.00 C ATOM 1178 C ALA A 78 0.089 11.274 -10.874 1.00 0.00 C ATOM 1179 O ALA A 78 -0.676 10.372 -10.531 1.00 0.00 O ATOM 1180 CB ALA A 78 2.169 11.689 -9.547 1.00 0.00 C ATOM 0 H ALA A 78 -0.556 11.367 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 78 0.804 13.181 -10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.740 11.660 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.650 12.371 -8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.132 10.690 -9.113 1.00 0.00 H new ATOM 1186 N LEU A 79 0.385 11.528 -12.144 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.185 10.743 -13.234 1.00 0.00 C ATOM 1188 C LEU A 79 0.191 9.271 -13.100 1.00 0.00 C ATOM 1189 O LEU A 79 -0.447 8.399 -13.691 1.00 0.00 O ATOM 1190 CB LEU A 79 0.294 11.283 -14.582 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.343 12.594 -15.046 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.422 13.171 -16.226 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.804 12.377 -15.409 1.00 0.00 C ATOM 0 H LEU A 79 1.016 12.271 -12.444 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.270 10.828 -13.181 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.373 11.425 -14.531 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.108 10.524 -15.342 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.296 13.309 -14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.046 14.103 -16.542 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.453 13.364 -15.931 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.408 12.460 -17.052 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.241 13.320 -15.737 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.874 11.645 -16.214 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.345 12.010 -14.537 1.00 0.00 H new ATOM 1205 N LYS A 80 1.230 9.000 -12.317 1.00 0.00 N ATOM 1206 CA LYS A 80 1.690 7.633 -12.102 1.00 0.00 C ATOM 1207 C LYS A 80 1.025 7.023 -10.872 1.00 0.00 C ATOM 1208 O LYS A 80 1.510 6.036 -10.318 1.00 0.00 O ATOM 1209 CB LYS A 80 3.211 7.605 -11.939 1.00 0.00 C ATOM 1210 CG LYS A 80 3.723 8.523 -10.842 1.00 0.00 C ATOM 1211 CD LYS A 80 4.470 9.715 -11.417 1.00 0.00 C ATOM 1212 CE LYS A 80 5.186 10.501 -10.329 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.195 11.962 -10.615 1.00 0.00 N ATOM 0 H LYS A 80 1.769 9.709 -11.821 1.00 0.00 H new ATOM 0 HA LYS A 80 1.413 7.041 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.526 6.584 -11.723 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.674 7.888 -12.884 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.885 8.874 -10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.383 7.965 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.194 9.370 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.770 10.368 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.698 10.322 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.211 10.143 -10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.164 12.266 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.576 12.161 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.851 12.481 -9.782 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.087 7.616 -10.451 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.820 7.129 -9.288 1.00 0.00 C ATOM 1229 C ASP A 81 -2.148 6.504 -9.705 1.00 0.00 C ATOM 1230 O ASP A 81 -2.740 5.725 -8.959 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.066 8.269 -8.299 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.245 7.775 -6.878 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.277 7.220 -6.316 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.352 7.943 -6.326 1.00 0.00 O ATOM 0 H ASP A 81 -0.500 8.435 -10.898 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.215 6.363 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.228 8.965 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.954 8.824 -8.602 1.00 0.00 H new ATOM 1239 N SER A 82 -2.610 6.853 -10.901 1.00 0.00 N ATOM 1240 CA SER A 82 -3.871 6.331 -11.416 1.00 0.00 C ATOM 1241 C SER A 82 -3.903 4.808 -11.331 1.00 0.00 C ATOM 1242 O SER A 82 -3.224 4.118 -12.091 1.00 0.00 O ATOM 1243 CB SER A 82 -4.079 6.777 -12.864 1.00 0.00 C ATOM 1244 OG SER A 82 -2.875 6.679 -13.606 1.00 0.00 O ATOM 0 H SER A 82 -2.130 7.495 -11.532 1.00 0.00 H new ATOM 0 HA SER A 82 -4.679 6.729 -10.802 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.848 6.162 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.439 7.806 -12.883 1.00 0.00 H new ATOM 0 HG SER A 82 -2.352 7.500 -13.491 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.697 4.290 -10.399 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.804 2.852 -10.231 1.00 0.00 C ATOM 1252 C GLY A 83 -6.118 2.438 -9.599 1.00 0.00 C ATOM 1253 O GLY A 83 -7.182 2.600 -10.197 1.00 0.00 O ATOM 0 H GLY A 83 -5.268 4.840 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.703 2.367 -11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.979 2.499 -9.611 1.00 0.00 H new ATOM 1257 N THR A 84 -6.045 1.900 -8.385 1.00 0.00 N ATOM 1258 CA THR A 84 -7.238 1.459 -7.672 1.00 0.00 C ATOM 1259 C THR A 84 -6.977 1.360 -6.174 1.00 0.00 C ATOM 1260 O THR A 84 -6.231 0.491 -5.720 1.00 0.00 O ATOM 1261 CB THR A 84 -7.727 0.092 -8.188 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.904 0.140 -9.608 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.037 -0.300 -7.521 1.00 0.00 C ATOM 0 H THR A 84 -5.173 1.759 -7.875 1.00 0.00 H new ATOM 0 HA THR A 84 -8.011 2.206 -7.855 1.00 0.00 H new ATOM 0 HB THR A 84 -6.974 -0.656 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.039 1.069 -9.890 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.363 -1.268 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.892 -0.363 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.796 0.450 -7.741 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.596 2.254 -5.410 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.432 2.265 -3.962 1.00 0.00 C ATOM 1273 C ILE A 85 -7.907 0.954 -3.344 1.00 0.00 C ATOM 1274 O ILE A 85 -9.095 0.633 -3.381 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.202 3.432 -3.317 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.719 4.768 -3.886 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.038 3.404 -1.805 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.273 5.075 -3.562 1.00 0.00 C ATOM 0 H ILE A 85 -8.216 2.980 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.367 2.391 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.261 3.321 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.847 4.760 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.348 5.568 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.588 4.235 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.427 2.464 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.982 3.493 -1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.999 6.036 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.143 5.115 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.634 4.295 -3.975 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.971 0.202 -2.776 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.294 -1.075 -2.150 1.00 0.00 C ATOM 1292 C TYR A 86 -7.348 -0.940 -0.632 1.00 0.00 C ATOM 1293 O TYR A 86 -6.380 -1.244 0.066 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.262 -2.134 -2.542 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.475 -2.704 -3.926 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.563 -3.522 -4.202 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.587 -2.425 -4.958 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.762 -4.046 -5.465 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.778 -2.943 -6.224 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.867 -3.753 -6.473 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.060 -4.272 -7.733 1.00 0.00 O ATOM 0 H TYR A 86 -5.983 0.454 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.277 -1.386 -2.504 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.266 -1.696 -2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.293 -2.946 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.266 -3.753 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.733 -1.792 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.613 -4.681 -5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.079 -2.715 -7.015 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.341 -3.968 -8.326 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.488 -0.481 -0.126 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.671 -0.304 1.310 1.00 0.00 C ATOM 1313 C PHE A 87 -8.557 -1.639 2.042 1.00 0.00 C ATOM 1314 O PHE A 87 -8.853 -2.692 1.480 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.031 0.333 1.598 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.308 0.521 3.063 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.689 1.537 3.773 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.187 -0.318 3.728 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.941 1.712 5.121 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.443 -0.148 5.076 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.820 0.869 5.773 1.00 0.00 C ATOM 0 H PHE A 87 -9.299 -0.225 -0.689 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.884 0.357 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.082 1.301 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.814 -0.290 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.002 2.200 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.678 -1.114 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.451 2.507 5.664 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.129 -0.810 5.584 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.020 1.005 6.826 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.124 -1.583 3.297 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.969 -2.788 4.105 1.00 0.00 C ATOM 1333 C GLU A 88 -8.486 -2.562 5.523 1.00 0.00 C ATOM 1334 O GLU A 88 -8.147 -1.569 6.167 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.501 -3.215 4.147 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.159 -4.317 3.158 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.678 -4.641 3.135 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.057 -4.653 4.218 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.140 -4.883 2.034 1.00 0.00 O ATOM 0 H GLU A 88 -7.874 -0.718 3.776 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.557 -3.582 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.873 -2.348 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.259 -3.554 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.720 -5.216 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.477 -4.016 2.160 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.307 -3.490 6.002 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.869 -3.394 7.344 1.00 0.00 C ATOM 1348 C ALA A 89 -10.425 -4.737 7.804 1.00 0.00 C ATOM 1349 O ALA A 89 -11.526 -5.129 7.419 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.955 -2.328 7.386 1.00 0.00 C ATOM 0 H ALA A 89 -9.598 -4.317 5.481 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.069 -3.109 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.366 -2.267 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.529 -1.364 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.748 -2.589 6.686 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.656 -5.440 8.630 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.089 -6.732 9.128 1.00 0.00 C ATOM 1358 C GLY A 90 -9.958 -7.827 8.088 1.00 0.00 C ATOM 1359 O GLY A 90 -8.849 -8.196 7.700 1.00 0.00 O ATOM 0 H GLY A 90 -8.741 -5.137 8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.499 -6.996 10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.128 -6.664 9.451 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.093 -8.350 7.636 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.101 -9.411 6.635 1.00 0.00 C ATOM 1365 C ASP A 91 -11.787 -8.944 5.355 1.00 0.00 C ATOM 1366 O ASP A 91 -12.256 -9.758 4.560 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.805 -10.653 7.183 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.960 -11.398 8.197 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.088 -12.188 7.777 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.169 -11.191 9.410 1.00 0.00 O ATOM 0 H ASP A 91 -12.019 -8.057 7.947 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.067 -9.664 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.747 -10.359 7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.051 -11.322 6.358 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.842 -7.630 5.164 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.473 -7.056 3.981 1.00 0.00 C ATOM 1377 C GLN A 92 -11.451 -6.317 3.124 1.00 0.00 C ATOM 1378 O GLN A 92 -10.264 -6.280 3.450 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.599 -6.104 4.389 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.807 -6.810 4.982 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.595 -7.589 3.947 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.299 -7.008 3.120 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.480 -8.911 3.986 1.00 0.00 N ATOM 0 H GLN A 92 -11.458 -6.943 5.813 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.892 -7.871 3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.214 -5.389 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.915 -5.533 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.476 -7.489 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.459 -6.073 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.885 -9.351 4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.986 -9.487 3.313 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.920 -5.731 2.027 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.046 -4.994 1.122 1.00 0.00 C ATOM 1394 C ARG A 93 -11.857 -4.277 0.047 1.00 0.00 C ATOM 1395 O ARG A 93 -12.529 -4.914 -0.764 1.00 0.00 O ATOM 1396 CB ARG A 93 -10.037 -5.941 0.469 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.917 -5.224 -0.267 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.315 -6.100 -1.354 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.208 -6.238 -2.502 1.00 0.00 N ATOM 1400 CZ ARG A 93 -8.919 -6.967 -3.574 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.767 -7.621 -3.645 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.782 -7.043 -4.579 1.00 0.00 N ATOM 0 H ARG A 93 -12.900 -5.752 1.744 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.508 -4.247 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.604 -6.582 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.562 -6.591 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.301 -4.305 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.140 -4.936 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.367 -5.672 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.095 -7.086 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.102 -5.748 -2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.100 -7.565 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.548 -8.180 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.669 -6.541 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.559 -7.603 -5.402 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.789 -2.950 0.047 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.516 -2.148 -0.929 1.00 0.00 C ATOM 1418 C ALA A 94 -11.696 -1.955 -2.200 1.00 0.00 C ATOM 1419 O ALA A 94 -10.523 -2.325 -2.256 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.890 -0.800 -0.330 1.00 0.00 C ATOM 0 H ALA A 94 -11.238 -2.408 0.712 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.429 -2.681 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.432 -0.211 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.521 -0.953 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.985 -0.269 -0.036 1.00 0.00 H new ATOM 1426 N SER A 95 -12.321 -1.374 -3.219 1.00 0.00 N ATOM 1427 CA SER A 95 -11.651 -1.137 -4.492 1.00 0.00 C ATOM 1428 C SER A 95 -12.355 -0.036 -5.280 1.00 0.00 C ATOM 1429 O SER A 95 -13.453 -0.235 -5.799 1.00 0.00 O ATOM 1430 CB SER A 95 -11.608 -2.424 -5.318 1.00 0.00 C ATOM 1431 OG SER A 95 -12.914 -2.849 -5.668 1.00 0.00 O ATOM 0 H SER A 95 -13.291 -1.059 -3.188 1.00 0.00 H new ATOM 0 HA SER A 95 -10.631 -0.814 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.021 -2.260 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.107 -3.208 -4.750 1.00 0.00 H new ATOM 0 HG SER A 95 -13.489 -2.066 -5.799 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.714 1.125 -5.365 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.276 2.257 -6.090 1.00 0.00 C ATOM 1439 C ALA A 96 -11.374 2.670 -7.248 1.00 0.00 C ATOM 1440 O ALA A 96 -10.149 2.648 -7.131 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.498 3.430 -5.147 1.00 0.00 C ATOM 0 H ALA A 96 -10.804 1.306 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.237 1.951 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.918 4.269 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.188 3.136 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.547 3.727 -4.706 1.00 0.00 H new ATOM 1447 N ALA A 97 -11.988 3.045 -8.366 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.240 3.464 -9.545 1.00 0.00 C ATOM 1449 C ALA A 97 -10.579 4.820 -9.322 1.00 0.00 C ATOM 1450 O ALA A 97 -11.223 5.863 -9.441 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.154 3.513 -10.760 1.00 0.00 C ATOM 0 H ALA A 97 -13.001 3.067 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.454 2.731 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.582 3.827 -11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.575 2.524 -10.939 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.961 4.223 -10.580 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.291 4.799 -8.998 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.542 6.028 -8.758 1.00 0.00 C ATOM 1459 C LEU A 98 -7.991 6.593 -10.063 1.00 0.00 C ATOM 1460 O LEU A 98 -6.913 6.205 -10.512 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.398 5.768 -7.777 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.313 6.844 -7.711 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.936 8.218 -7.524 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.332 6.544 -6.586 1.00 0.00 C ATOM 0 H LEU A 98 -8.743 3.945 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.223 6.761 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.822 5.646 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.927 4.821 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.766 6.840 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.149 8.971 -7.479 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.598 8.434 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.508 8.235 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.567 7.320 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.865 6.520 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.861 5.577 -6.762 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.737 7.514 -10.665 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.322 8.134 -11.917 1.00 0.00 C ATOM 1478 C ARG A 99 -7.615 9.461 -11.659 1.00 0.00 C ATOM 1479 O ARG A 99 -8.001 10.219 -10.769 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.532 8.356 -12.826 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.242 7.072 -13.220 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.362 7.337 -14.214 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.249 6.185 -14.360 1.00 0.00 N ATOM 1484 CZ ARG A 99 -13.128 6.054 -15.347 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.237 6.999 -16.271 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.899 4.977 -15.412 1.00 0.00 N ATOM 0 H ARG A 99 -9.632 7.847 -10.306 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.623 7.461 -12.413 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.240 9.012 -12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.207 8.873 -13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.524 6.377 -13.656 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.650 6.593 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.941 8.201 -13.886 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.934 7.590 -15.184 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.190 5.440 -13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.645 7.828 -16.225 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.913 6.896 -17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.817 4.248 -14.703 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.574 4.878 -16.171 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.578 9.736 -12.444 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.817 10.972 -12.301 1.00 0.00 C ATOM 1502 C VAL A 100 -5.293 11.454 -13.649 1.00 0.00 C ATOM 1503 O VAL A 100 -4.342 10.893 -14.195 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.631 10.792 -11.336 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.819 12.075 -11.242 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.122 10.360 -9.962 1.00 0.00 C ATOM 0 H VAL A 100 -6.246 9.120 -13.186 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.499 11.718 -11.892 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.983 10.008 -11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.985 11.928 -10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.435 12.336 -12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.454 12.881 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.270 10.238 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.793 11.119 -9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.655 9.413 -10.047 1.00 0.00 H new ATOM 1516 N THR A 101 -5.920 12.498 -14.182 1.00 0.00 N ATOM 1517 CA THR A 101 -5.518 13.056 -15.467 1.00 0.00 C ATOM 1518 C THR A 101 -4.393 14.070 -15.298 1.00 0.00 C ATOM 1519 O THR A 101 -3.896 14.280 -14.193 1.00 0.00 O ATOM 1520 CB THR A 101 -6.703 13.735 -16.180 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.119 14.892 -15.446 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.872 12.772 -16.324 1.00 0.00 C ATOM 0 H THR A 101 -6.708 12.974 -13.743 1.00 0.00 H new ATOM 0 HA THR A 101 -5.165 12.224 -16.076 1.00 0.00 H new ATOM 0 HB THR A 101 -6.376 14.035 -17.175 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.871 15.319 -15.907 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.697 13.274 -16.830 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.560 11.906 -16.908 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.198 12.445 -15.337 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.996 14.697 -16.402 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.929 15.689 -16.374 1.00 0.00 C ATOM 1532 C GLU A 102 -3.362 16.933 -15.604 1.00 0.00 C ATOM 1533 O GLU A 102 -4.535 17.090 -15.263 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.523 16.074 -17.798 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.386 15.233 -18.356 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.456 15.084 -19.863 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.035 16.021 -20.573 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.932 14.029 -20.332 1.00 0.00 O ATOM 0 H GLU A 102 -4.398 14.535 -17.326 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.072 15.248 -15.865 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.390 15.978 -18.452 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.228 17.123 -17.811 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.434 15.689 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.410 14.245 -17.895 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.407 17.815 -15.330 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.687 19.046 -14.600 1.00 0.00 C ATOM 1547 C LYS A 103 -2.198 20.263 -15.379 1.00 0.00 C ATOM 1548 O LYS A 103 -1.284 20.179 -16.199 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.023 19.008 -13.222 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.563 19.427 -13.239 1.00 0.00 C ATOM 1551 CD LYS A 103 0.275 18.493 -14.096 1.00 0.00 C ATOM 1552 CE LYS A 103 1.763 18.720 -13.876 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.591 17.746 -14.639 1.00 0.00 N ATOM 0 H LYS A 103 -1.431 17.700 -15.603 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.767 19.127 -14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.572 19.662 -12.545 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.098 17.998 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.480 20.445 -13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.174 19.435 -12.221 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.025 17.459 -13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.034 18.648 -15.148 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.024 19.734 -14.178 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.990 18.636 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.565 18.103 -14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.596 16.832 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.192 17.622 -15.591 1.00 0.00 H new