USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 664 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 66 LYS NZ :NH3+ 146:sc= 0.191! (180deg=-0.305) USER MOD Set 1.2: A 71 TYR OH : rot 22:sc= 0.0698 USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00867 USER MOD Single : A 25 TYR OH : rot -174:sc= 0.258 USER MOD Single : A 27 CYS SG : rot 67:sc= 1.01 USER MOD Single : A 29 CYS SG : rot 170:sc= 0.00371 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.253) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 34:sc= 0.0146 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -164:sc= -7.72! (180deg=-8.43!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 52 SER OG : rot -87:sc= 0.00404 USER MOD Single : A 57 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 67 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-8.2!) USER MOD Single : A 70 ASN : amide:sc= -0.62 K(o=-0.62,f=-5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.29) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0885) USER MOD Single : A 87 SER OG : rot 51:sc= 0.416 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.773 27.497 -4.819 1.00 0.00 N ATOM 133 CA VAL A 13 10.274 26.316 -4.126 1.00 0.00 C ATOM 134 C VAL A 13 9.391 25.960 -2.936 1.00 0.00 C ATOM 135 O VAL A 13 9.445 24.843 -2.422 1.00 0.00 O ATOM 136 CB VAL A 13 11.719 26.524 -3.635 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.845 27.848 -2.894 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.154 25.366 -2.751 1.00 0.00 C ATOM 0 HA VAL A 13 10.257 25.497 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 13 12.378 26.555 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.872 27.978 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.577 28.666 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.176 27.849 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.177 25.530 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.493 25.300 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.104 24.437 -3.318 1.00 0.00 H new ATOM 148 N GLU A 14 8.577 26.918 -2.502 1.00 0.00 N ATOM 149 CA GLU A 14 7.682 26.706 -1.371 1.00 0.00 C ATOM 150 C GLU A 14 6.449 25.913 -1.795 1.00 0.00 C ATOM 151 O GLU A 14 6.219 24.800 -1.321 1.00 0.00 O ATOM 152 CB GLU A 14 7.258 28.047 -0.769 1.00 0.00 C ATOM 153 CG GLU A 14 6.653 27.926 0.620 1.00 0.00 C ATOM 154 CD GLU A 14 6.885 29.163 1.467 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.833 29.918 1.165 1.00 0.00 O ATOM 156 OE2 GLU A 14 6.119 29.375 2.431 1.00 0.00 O ATOM 0 H GLU A 14 8.519 27.848 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 14 8.220 26.132 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.125 28.705 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.534 28.521 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.582 27.747 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.081 27.059 1.124 1.00 0.00 H new ATOM 163 N ILE A 15 5.657 26.496 -2.690 1.00 0.00 N ATOM 164 CA ILE A 15 4.449 25.845 -3.178 1.00 0.00 C ATOM 165 C ILE A 15 4.735 24.416 -3.626 1.00 0.00 C ATOM 166 O ILE A 15 3.882 23.537 -3.515 1.00 0.00 O ATOM 167 CB ILE A 15 3.825 26.623 -4.351 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.335 26.295 -4.475 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.552 26.299 -5.648 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.643 27.039 -5.596 1.00 0.00 C ATOM 0 H ILE A 15 5.831 27.418 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 15 3.744 25.828 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 15 3.928 27.690 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.220 25.223 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.840 26.531 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.099 26.857 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.602 26.577 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.476 25.231 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.590 26.757 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.727 28.112 -5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.112 26.784 -6.546 1.00 0.00 H new ATOM 182 N GLU A 16 5.945 24.191 -4.131 1.00 0.00 N ATOM 183 CA GLU A 16 6.345 22.868 -4.594 1.00 0.00 C ATOM 184 C GLU A 16 6.668 21.953 -3.416 1.00 0.00 C ATOM 185 O GLU A 16 6.324 20.771 -3.419 1.00 0.00 O ATOM 186 CB GLU A 16 7.559 22.972 -5.520 1.00 0.00 C ATOM 187 CG GLU A 16 7.344 23.902 -6.702 1.00 0.00 C ATOM 188 CD GLU A 16 8.118 23.469 -7.933 1.00 0.00 C ATOM 189 OE1 GLU A 16 9.260 22.991 -7.776 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.581 23.609 -9.052 1.00 0.00 O ATOM 0 H GLU A 16 6.664 24.908 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 16 5.510 22.438 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.416 23.322 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.809 21.978 -5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.281 23.941 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.645 24.912 -6.424 1.00 0.00 H new ATOM 197 N THR A 17 7.331 22.510 -2.407 1.00 0.00 N ATOM 198 CA THR A 17 7.703 21.745 -1.222 1.00 0.00 C ATOM 199 C THR A 17 6.471 21.332 -0.426 1.00 0.00 C ATOM 200 O THR A 17 6.430 20.249 0.158 1.00 0.00 O ATOM 201 CB THR A 17 8.646 22.549 -0.308 1.00 0.00 C ATOM 202 OG1 THR A 17 9.957 22.603 -0.883 1.00 0.00 O ATOM 203 CG2 THR A 17 8.720 21.925 1.077 1.00 0.00 C ATOM 0 H THR A 17 7.621 23.488 -2.386 1.00 0.00 H new ATOM 0 HA THR A 17 8.222 20.853 -1.571 1.00 0.00 H new ATOM 0 HB THR A 17 8.249 23.560 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.008 23.353 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.392 22.510 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.726 21.912 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.095 20.905 0.997 1.00 0.00 H new ATOM 211 N LEU A 18 5.467 22.202 -0.406 1.00 0.00 N ATOM 212 CA LEU A 18 4.231 21.928 0.319 1.00 0.00 C ATOM 213 C LEU A 18 3.495 20.738 -0.289 1.00 0.00 C ATOM 214 O LEU A 18 3.026 19.854 0.427 1.00 0.00 O ATOM 215 CB LEU A 18 3.326 23.161 0.310 1.00 0.00 C ATOM 216 CG LEU A 18 3.663 24.249 1.330 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.921 25.536 1.004 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.328 23.781 2.738 1.00 0.00 C ATOM 0 H LEU A 18 5.485 23.103 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 18 4.490 21.684 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.357 23.603 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.300 22.835 0.482 1.00 0.00 H new ATOM 0 HG LEU A 18 4.733 24.449 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.174 26.298 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.210 25.881 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.847 25.352 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.574 24.568 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.264 23.553 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.905 22.886 2.971 1.00 0.00 H new ATOM 230 N ARG A 19 3.400 20.723 -1.614 1.00 0.00 N ATOM 231 CA ARG A 19 2.722 19.642 -2.319 1.00 0.00 C ATOM 232 C ARG A 19 3.360 18.295 -1.991 1.00 0.00 C ATOM 233 O ARG A 19 2.676 17.274 -1.912 1.00 0.00 O ATOM 234 CB ARG A 19 2.763 19.884 -3.830 1.00 0.00 C ATOM 235 CG ARG A 19 1.724 20.880 -4.315 1.00 0.00 C ATOM 236 CD ARG A 19 2.009 21.333 -5.738 1.00 0.00 C ATOM 237 NE ARG A 19 1.237 22.519 -6.101 1.00 0.00 N ATOM 238 CZ ARG A 19 1.219 23.039 -7.322 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.927 22.481 -8.295 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.491 24.119 -7.575 1.00 0.00 N ATOM 0 H ARG A 19 3.784 21.447 -2.221 1.00 0.00 H new ATOM 0 HA ARG A 19 1.683 19.623 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.755 20.243 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.613 18.935 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.734 20.427 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.711 21.745 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.073 21.547 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.776 20.523 -6.430 1.00 0.00 H new ATOM 0 HE ARG A 19 0.681 22.973 -5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.487 21.650 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.911 22.883 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.056 24.551 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.479 24.517 -8.514 1.00 0.00 H new ATOM 254 N LYS A 20 4.676 18.300 -1.803 1.00 0.00 N ATOM 255 CA LYS A 20 5.407 17.080 -1.483 1.00 0.00 C ATOM 256 C LYS A 20 5.024 16.562 -0.100 1.00 0.00 C ATOM 257 O LYS A 20 4.687 15.389 0.064 1.00 0.00 O ATOM 258 CB LYS A 20 6.916 17.335 -1.544 1.00 0.00 C ATOM 259 CG LYS A 20 7.505 17.167 -2.933 1.00 0.00 C ATOM 260 CD LYS A 20 8.986 16.836 -2.874 1.00 0.00 C ATOM 261 CE LYS A 20 9.841 18.094 -2.896 1.00 0.00 C ATOM 262 NZ LYS A 20 9.979 18.646 -4.272 1.00 0.00 N ATOM 0 H LYS A 20 5.258 19.136 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 20 5.142 16.323 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.120 18.346 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.419 16.652 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.975 16.374 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.359 18.083 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.197 16.268 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.251 16.200 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.396 18.847 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.829 17.869 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.568 19.502 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.427 17.937 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.038 18.885 -4.646 1.00 0.00 H new ATOM 276 N THR A 21 5.077 17.444 0.893 1.00 0.00 N ATOM 277 CA THR A 21 4.735 17.076 2.262 1.00 0.00 C ATOM 278 C THR A 21 3.380 16.382 2.321 1.00 0.00 C ATOM 279 O THR A 21 3.237 15.330 2.946 1.00 0.00 O ATOM 280 CB THR A 21 4.709 18.309 3.185 1.00 0.00 C ATOM 281 OG1 THR A 21 5.856 19.132 2.937 1.00 0.00 O ATOM 282 CG2 THR A 21 4.686 17.890 4.647 1.00 0.00 C ATOM 0 H THR A 21 5.354 18.419 0.775 1.00 0.00 H new ATOM 0 HA THR A 21 5.507 16.389 2.608 1.00 0.00 H new ATOM 0 HB THR A 21 3.803 18.876 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.831 19.914 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.668 18.777 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.797 17.289 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.576 17.303 4.871 1.00 0.00 H new ATOM 290 N VAL A 22 2.385 16.976 1.668 1.00 0.00 N ATOM 291 CA VAL A 22 1.041 16.413 1.646 1.00 0.00 C ATOM 292 C VAL A 22 1.015 15.083 0.901 1.00 0.00 C ATOM 293 O VAL A 22 0.284 14.166 1.274 1.00 0.00 O ATOM 294 CB VAL A 22 0.039 17.378 0.985 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.389 16.913 1.227 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.242 18.793 1.504 1.00 0.00 C ATOM 0 H VAL A 22 2.486 17.847 1.147 1.00 0.00 H new ATOM 0 HA VAL A 22 0.748 16.251 2.683 1.00 0.00 H new ATOM 0 HB VAL A 22 0.218 17.380 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.083 17.607 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.524 15.918 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.584 16.880 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.474 19.462 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.091 18.810 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.255 19.123 1.275 1.00 0.00 H new ATOM 306 N GLU A 23 1.818 14.984 -0.153 1.00 0.00 N ATOM 307 CA GLU A 23 1.886 13.766 -0.950 1.00 0.00 C ATOM 308 C GLU A 23 2.329 12.581 -0.096 1.00 0.00 C ATOM 309 O GLU A 23 1.782 11.484 -0.207 1.00 0.00 O ATOM 310 CB GLU A 23 2.850 13.951 -2.124 1.00 0.00 C ATOM 311 CG GLU A 23 2.195 14.543 -3.362 1.00 0.00 C ATOM 312 CD GLU A 23 3.036 14.359 -4.610 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.228 13.199 -5.030 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.501 15.375 -5.167 1.00 0.00 O ATOM 0 H GLU A 23 2.431 15.733 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 23 0.888 13.560 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.669 14.599 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.286 12.986 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.222 14.076 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.017 15.606 -3.201 1.00 0.00 H new ATOM 321 N ASP A 24 3.324 12.811 0.754 1.00 0.00 N ATOM 322 CA ASP A 24 3.841 11.764 1.627 1.00 0.00 C ATOM 323 C ASP A 24 2.825 11.408 2.708 1.00 0.00 C ATOM 324 O ASP A 24 2.521 10.235 2.927 1.00 0.00 O ATOM 325 CB ASP A 24 5.154 12.210 2.271 1.00 0.00 C ATOM 326 CG ASP A 24 6.085 11.048 2.554 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.370 10.274 1.616 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.529 10.912 3.713 1.00 0.00 O ATOM 0 H ASP A 24 3.788 13.713 0.857 1.00 0.00 H new ATOM 0 HA ASP A 24 4.026 10.877 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.655 12.921 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.939 12.734 3.202 1.00 0.00 H new ATOM 333 N TYR A 25 2.304 12.427 3.382 1.00 0.00 N ATOM 334 CA TYR A 25 1.324 12.221 4.442 1.00 0.00 C ATOM 335 C TYR A 25 0.303 11.159 4.043 1.00 0.00 C ATOM 336 O TYR A 25 0.222 10.097 4.660 1.00 0.00 O ATOM 337 CB TYR A 25 0.610 13.533 4.768 1.00 0.00 C ATOM 338 CG TYR A 25 0.061 13.591 6.175 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.904 13.502 7.277 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.302 13.732 6.405 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.406 13.553 8.563 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.809 13.785 7.689 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.951 13.694 8.765 1.00 0.00 C ATOM 344 OH TYR A 25 -1.452 13.746 10.046 1.00 0.00 O ATOM 0 H TYR A 25 2.544 13.404 3.213 1.00 0.00 H new ATOM 0 HA TYR A 25 1.855 11.874 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.305 14.360 4.624 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.208 13.677 4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.967 13.391 7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.977 13.801 5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.076 13.483 9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.871 13.897 7.849 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.431 13.752 10.014 1.00 0.00 H new ATOM 354 N PHE A 26 -0.472 11.454 3.006 1.00 0.00 N ATOM 355 CA PHE A 26 -1.488 10.527 2.522 1.00 0.00 C ATOM 356 C PHE A 26 -0.957 9.097 2.507 1.00 0.00 C ATOM 357 O PHE A 26 -1.698 8.145 2.751 1.00 0.00 O ATOM 358 CB PHE A 26 -1.948 10.928 1.119 1.00 0.00 C ATOM 359 CG PHE A 26 -2.723 12.213 1.086 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.737 12.450 2.000 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.439 13.185 0.139 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.452 13.632 1.973 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.150 14.370 0.108 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.159 14.593 1.024 1.00 0.00 C ATOM 0 H PHE A 26 -0.416 12.328 2.484 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.339 10.572 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.075 11.023 0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.565 10.130 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.971 11.702 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.654 13.014 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.239 13.805 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.917 15.121 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.718 15.517 0.999 1.00 0.00 H new ATOM 374 N CYS A 27 0.332 8.954 2.217 1.00 0.00 N ATOM 375 CA CYS A 27 0.964 7.641 2.168 1.00 0.00 C ATOM 376 C CYS A 27 1.138 7.069 3.571 1.00 0.00 C ATOM 377 O CYS A 27 0.997 5.864 3.783 1.00 0.00 O ATOM 378 CB CYS A 27 2.322 7.732 1.469 1.00 0.00 C ATOM 379 SG CYS A 27 2.313 8.733 -0.036 1.00 0.00 S ATOM 0 H CYS A 27 0.959 9.732 2.012 1.00 0.00 H new ATOM 0 HA CYS A 27 0.315 6.973 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.050 8.149 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.659 6.725 1.221 1.00 0.00 H new ATOM 0 HG CYS A 27 2.088 9.976 0.271 1.00 0.00 H new ATOM 385 N PHE A 28 1.445 7.940 4.526 1.00 0.00 N ATOM 386 CA PHE A 28 1.639 7.521 5.910 1.00 0.00 C ATOM 387 C PHE A 28 0.328 7.037 6.521 1.00 0.00 C ATOM 388 O PHE A 28 0.273 5.969 7.131 1.00 0.00 O ATOM 389 CB PHE A 28 2.208 8.674 6.739 1.00 0.00 C ATOM 390 CG PHE A 28 1.922 8.553 8.208 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.110 7.349 8.867 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.468 9.644 8.931 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.848 7.233 10.219 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.206 9.535 10.284 1.00 0.00 C ATOM 395 CZ PHE A 28 1.395 8.328 10.929 1.00 0.00 C ATOM 0 H PHE A 28 1.565 8.940 4.368 1.00 0.00 H new ATOM 0 HA PHE A 28 2.349 6.694 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.287 8.721 6.590 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.794 9.613 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.466 6.490 8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.317 10.590 8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.997 6.288 10.720 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.854 10.393 10.837 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.189 8.241 11.986 1.00 0.00 H new ATOM 405 N CYS A 29 -0.724 7.830 6.354 1.00 0.00 N ATOM 406 CA CYS A 29 -2.035 7.484 6.890 1.00 0.00 C ATOM 407 C CYS A 29 -2.570 6.212 6.241 1.00 0.00 C ATOM 408 O CYS A 29 -3.170 5.368 6.907 1.00 0.00 O ATOM 409 CB CYS A 29 -3.018 8.635 6.671 1.00 0.00 C ATOM 410 SG CYS A 29 -2.468 10.217 7.352 1.00 0.00 S ATOM 0 H CYS A 29 -0.695 8.717 5.852 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.927 7.306 7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.190 8.753 5.601 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.975 8.371 7.121 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.254 11.165 6.936 1.00 0.00 H new ATOM 416 N TYR A 30 -2.350 6.082 4.938 1.00 0.00 N ATOM 417 CA TYR A 30 -2.813 4.914 4.198 1.00 0.00 C ATOM 418 C TYR A 30 -2.059 3.660 4.630 1.00 0.00 C ATOM 419 O TYR A 30 -2.664 2.648 4.982 1.00 0.00 O ATOM 420 CB TYR A 30 -2.638 5.135 2.694 1.00 0.00 C ATOM 421 CG TYR A 30 -3.069 3.953 1.854 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.217 3.235 2.167 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.326 3.554 0.750 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.613 2.154 1.403 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.716 2.475 -0.020 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.859 1.779 0.310 1.00 0.00 C ATOM 427 OH TYR A 30 -4.250 0.703 -0.454 1.00 0.00 O ATOM 0 H TYR A 30 -1.854 6.771 4.372 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.871 4.773 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.213 6.012 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.591 5.355 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.809 3.527 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.429 4.096 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.507 1.606 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.128 2.178 -0.876 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.611 0.572 -1.186 1.00 0.00 H new ATOM 437 N GLY A 31 -0.731 3.736 4.602 1.00 0.00 N ATOM 438 CA GLY A 31 0.085 2.602 4.994 1.00 0.00 C ATOM 439 C GLY A 31 -0.009 2.305 6.477 1.00 0.00 C ATOM 440 O GLY A 31 0.144 1.158 6.899 1.00 0.00 O ATOM 0 H GLY A 31 -0.207 4.562 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.226 1.723 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.124 2.798 4.731 1.00 0.00 H new ATOM 444 N LYS A 32 -0.261 3.339 7.272 1.00 0.00 N ATOM 445 CA LYS A 32 -0.376 3.183 8.717 1.00 0.00 C ATOM 446 C LYS A 32 -1.632 2.399 9.082 1.00 0.00 C ATOM 447 O LYS A 32 -1.590 1.499 9.920 1.00 0.00 O ATOM 448 CB LYS A 32 -0.402 4.555 9.397 1.00 0.00 C ATOM 449 CG LYS A 32 -0.930 4.517 10.820 1.00 0.00 C ATOM 450 CD LYS A 32 -2.449 4.557 10.853 1.00 0.00 C ATOM 451 CE LYS A 32 -2.962 5.208 12.127 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.937 4.265 13.280 1.00 0.00 N ATOM 0 H LYS A 32 -0.390 4.295 6.940 1.00 0.00 H new ATOM 0 HA LYS A 32 0.493 2.626 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.607 4.967 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.019 5.232 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.578 3.612 11.315 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.531 5.363 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.818 5.108 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.842 3.543 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.353 6.082 12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.981 5.562 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.294 4.746 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.538 3.443 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.961 3.947 13.447 1.00 0.00 H new ATOM 466 N ALA A 33 -2.746 2.746 8.446 1.00 0.00 N ATOM 467 CA ALA A 33 -4.013 2.072 8.702 1.00 0.00 C ATOM 468 C ALA A 33 -3.968 0.621 8.232 1.00 0.00 C ATOM 469 O ALA A 33 -4.670 -0.238 8.766 1.00 0.00 O ATOM 470 CB ALA A 33 -5.153 2.815 8.022 1.00 0.00 C ATOM 0 H ALA A 33 -2.797 3.490 7.750 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.186 2.072 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.093 2.300 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.207 3.832 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.977 2.845 6.947 1.00 0.00 H new ATOM 476 N LEU A 34 -3.138 0.356 7.230 1.00 0.00 N ATOM 477 CA LEU A 34 -3.001 -0.991 6.686 1.00 0.00 C ATOM 478 C LEU A 34 -2.382 -1.933 7.714 1.00 0.00 C ATOM 479 O LEU A 34 -2.701 -3.121 7.754 1.00 0.00 O ATOM 480 CB LEU A 34 -2.145 -0.966 5.418 1.00 0.00 C ATOM 481 CG LEU A 34 -2.898 -0.750 4.105 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.932 -0.374 2.992 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.686 -1.997 3.729 1.00 0.00 C ATOM 0 H LEU A 34 -2.550 1.055 6.777 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.996 -1.359 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.401 -0.176 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.602 -1.909 5.351 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.601 0.072 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.485 -0.224 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.412 0.547 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.205 -1.175 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.215 -1.824 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.002 -2.837 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.406 -2.224 4.516 1.00 0.00 H new ATOM 495 N GLY A 35 -1.494 -1.394 8.544 1.00 0.00 N ATOM 496 CA GLY A 35 -0.846 -2.199 9.562 1.00 0.00 C ATOM 497 C GLY A 35 0.537 -2.657 9.145 1.00 0.00 C ATOM 498 O GLY A 35 1.069 -3.627 9.687 1.00 0.00 O ATOM 0 H GLY A 35 -1.212 -0.414 8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.772 -1.622 10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.464 -3.070 9.780 1.00 0.00 H new ATOM 502 N LYS A 36 1.122 -1.961 8.176 1.00 0.00 N ATOM 503 CA LYS A 36 2.452 -2.302 7.684 1.00 0.00 C ATOM 504 C LYS A 36 3.525 -1.514 8.428 1.00 0.00 C ATOM 505 O LYS A 36 3.219 -0.701 9.301 1.00 0.00 O ATOM 506 CB LYS A 36 2.549 -2.024 6.182 1.00 0.00 C ATOM 507 CG LYS A 36 1.393 -2.598 5.381 1.00 0.00 C ATOM 508 CD LYS A 36 1.847 -3.077 4.011 1.00 0.00 C ATOM 509 CE LYS A 36 1.885 -1.934 3.007 1.00 0.00 C ATOM 510 NZ LYS A 36 2.823 -2.214 1.885 1.00 0.00 N ATOM 0 H LYS A 36 0.696 -1.157 7.715 1.00 0.00 H new ATOM 0 HA LYS A 36 2.617 -3.365 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.591 -0.947 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.483 -2.439 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.947 -3.428 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.618 -1.840 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.837 -3.526 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.172 -3.855 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.884 -1.765 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.186 -1.016 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.596 -1.596 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.799 -2.033 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.730 -3.208 1.595 1.00 0.00 H new ATOM 524 N SER A 37 4.783 -1.757 8.075 1.00 0.00 N ATOM 525 CA SER A 37 5.902 -1.072 8.711 1.00 0.00 C ATOM 526 C SER A 37 6.537 -0.066 7.756 1.00 0.00 C ATOM 527 O SER A 37 7.682 0.346 7.939 1.00 0.00 O ATOM 528 CB SER A 37 6.952 -2.084 9.174 1.00 0.00 C ATOM 529 OG SER A 37 7.483 -2.806 8.075 1.00 0.00 O ATOM 0 H SER A 37 5.053 -2.423 7.352 1.00 0.00 H new ATOM 0 HA SER A 37 5.520 -0.533 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.756 -1.565 9.696 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.505 -2.777 9.887 1.00 0.00 H new ATOM 0 HG SER A 37 8.153 -3.445 8.396 1.00 0.00 H new ATOM 535 N THR A 38 5.782 0.328 6.734 1.00 0.00 N ATOM 536 CA THR A 38 6.269 1.286 5.748 1.00 0.00 C ATOM 537 C THR A 38 5.120 2.081 5.140 1.00 0.00 C ATOM 538 O THR A 38 3.955 1.700 5.261 1.00 0.00 O ATOM 539 CB THR A 38 7.046 0.583 4.619 1.00 0.00 C ATOM 540 OG1 THR A 38 6.193 -0.349 3.943 1.00 0.00 O ATOM 541 CG2 THR A 38 8.263 -0.145 5.171 1.00 0.00 C ATOM 0 H THR A 38 4.831 -0.002 6.568 1.00 0.00 H new ATOM 0 HA THR A 38 6.940 1.966 6.272 1.00 0.00 H new ATOM 0 HB THR A 38 7.385 1.342 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.694 -0.790 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.796 -0.634 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.925 0.571 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.942 -0.894 5.895 1.00 0.00 H new ATOM 549 N VAL A 39 5.454 3.188 4.485 1.00 0.00 N ATOM 550 CA VAL A 39 4.450 4.037 3.857 1.00 0.00 C ATOM 551 C VAL A 39 4.025 3.476 2.504 1.00 0.00 C ATOM 552 O VAL A 39 4.844 2.946 1.754 1.00 0.00 O ATOM 553 CB VAL A 39 4.970 5.474 3.663 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.817 6.275 4.946 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.421 5.456 3.205 1.00 0.00 C ATOM 0 H VAL A 39 6.413 3.518 4.376 1.00 0.00 H new ATOM 0 HA VAL A 39 3.590 4.057 4.526 1.00 0.00 H new ATOM 0 HB VAL A 39 4.374 5.957 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.190 7.287 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.764 6.315 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.387 5.798 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.773 6.479 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.033 4.956 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.497 4.921 2.259 1.00 0.00 H new ATOM 565 N VAL A 40 2.737 3.596 2.199 1.00 0.00 N ATOM 566 CA VAL A 40 2.201 3.102 0.935 1.00 0.00 C ATOM 567 C VAL A 40 1.673 4.246 0.077 1.00 0.00 C ATOM 568 O VAL A 40 0.988 5.150 0.557 1.00 0.00 O ATOM 569 CB VAL A 40 1.070 2.083 1.165 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.607 1.491 -0.158 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.526 0.988 2.118 1.00 0.00 C ATOM 0 H VAL A 40 2.045 4.031 2.809 1.00 0.00 H new ATOM 0 HA VAL A 40 3.022 2.610 0.414 1.00 0.00 H new ATOM 0 HB VAL A 40 0.225 2.600 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.193 0.773 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.239 2.288 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.443 0.987 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.714 0.276 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.387 0.472 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.804 1.431 3.075 1.00 0.00 H new ATOM 581 N PRO A 41 1.997 4.209 -1.224 1.00 0.00 N ATOM 582 CA PRO A 41 1.564 5.235 -2.177 1.00 0.00 C ATOM 583 C PRO A 41 0.065 5.178 -2.448 1.00 0.00 C ATOM 584 O PRO A 41 -0.447 4.180 -2.957 1.00 0.00 O ATOM 585 CB PRO A 41 2.350 4.894 -3.445 1.00 0.00 C ATOM 586 CG PRO A 41 2.640 3.438 -3.333 1.00 0.00 C ATOM 587 CD PRO A 41 2.811 3.162 -1.864 1.00 0.00 C ATOM 0 HA PRO A 41 1.747 6.242 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.770 5.114 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.269 5.477 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.826 2.845 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.541 3.176 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.462 2.164 -1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.856 3.225 -1.562 1.00 0.00 H new ATOM 595 N VAL A 42 -0.634 6.256 -2.107 1.00 0.00 N ATOM 596 CA VAL A 42 -2.076 6.329 -2.315 1.00 0.00 C ATOM 597 C VAL A 42 -2.410 6.504 -3.793 1.00 0.00 C ATOM 598 O VAL A 42 -2.133 7.539 -4.399 1.00 0.00 O ATOM 599 CB VAL A 42 -2.699 7.490 -1.519 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.190 7.596 -1.807 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.448 7.311 -0.030 1.00 0.00 C ATOM 0 H VAL A 42 -0.226 7.090 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.495 5.388 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.225 8.419 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.613 8.422 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.343 7.775 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.683 6.667 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.895 8.141 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.894 6.374 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.375 7.289 0.158 1.00 0.00 H new ATOM 611 N PRO A 43 -3.019 5.468 -4.389 1.00 0.00 N ATOM 612 CA PRO A 43 -3.404 5.483 -5.803 1.00 0.00 C ATOM 613 C PRO A 43 -4.555 6.445 -6.079 1.00 0.00 C ATOM 614 O PRO A 43 -5.709 6.033 -6.186 1.00 0.00 O ATOM 615 CB PRO A 43 -3.840 4.039 -6.067 1.00 0.00 C ATOM 616 CG PRO A 43 -4.262 3.521 -4.735 1.00 0.00 C ATOM 617 CD PRO A 43 -3.379 4.203 -3.727 1.00 0.00 C ATOM 0 HA PRO A 43 -2.590 5.821 -6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.659 3.998 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.023 3.448 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.313 3.741 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.149 2.438 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.902 4.376 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.497 3.605 -3.496 1.00 0.00 H new ATOM 625 N TYR A 44 -4.231 7.728 -6.195 1.00 0.00 N ATOM 626 CA TYR A 44 -5.238 8.750 -6.458 1.00 0.00 C ATOM 627 C TYR A 44 -6.073 8.390 -7.684 1.00 0.00 C ATOM 628 O TYR A 44 -7.300 8.458 -7.653 1.00 0.00 O ATOM 629 CB TYR A 44 -4.572 10.111 -6.663 1.00 0.00 C ATOM 630 CG TYR A 44 -3.670 10.523 -5.522 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.196 11.071 -4.358 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.293 10.361 -5.605 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.375 11.449 -3.313 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.465 10.734 -4.565 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.011 11.278 -3.421 1.00 0.00 C ATOM 636 OH TYR A 44 -1.191 11.653 -2.381 1.00 0.00 O ATOM 0 H TYR A 44 -3.279 8.085 -6.111 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.899 8.803 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.990 10.086 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.345 10.868 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.264 11.204 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.862 9.936 -6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.799 11.876 -2.416 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.396 10.601 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.651 11.499 -1.530 1.00 0.00 H new ATOM 646 N GLU A 45 -5.395 8.004 -8.761 1.00 0.00 N ATOM 647 CA GLU A 45 -6.073 7.632 -9.996 1.00 0.00 C ATOM 648 C GLU A 45 -7.181 6.619 -9.726 1.00 0.00 C ATOM 649 O GLU A 45 -8.290 6.739 -10.247 1.00 0.00 O ATOM 650 CB GLU A 45 -5.072 7.056 -11.001 1.00 0.00 C ATOM 651 CG GLU A 45 -5.728 6.404 -12.207 1.00 0.00 C ATOM 652 CD GLU A 45 -4.846 6.444 -13.441 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.652 6.100 -13.328 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.354 6.818 -14.518 1.00 0.00 O ATOM 0 H GLU A 45 -4.378 7.941 -8.802 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.523 8.531 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.413 7.854 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.446 6.320 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.968 5.368 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.670 6.909 -12.421 1.00 0.00 H new ATOM 661 N LYS A 46 -6.871 5.618 -8.908 1.00 0.00 N ATOM 662 CA LYS A 46 -7.839 4.581 -8.566 1.00 0.00 C ATOM 663 C LYS A 46 -8.883 5.113 -7.589 1.00 0.00 C ATOM 664 O LYS A 46 -10.078 5.108 -7.881 1.00 0.00 O ATOM 665 CB LYS A 46 -7.127 3.371 -7.958 1.00 0.00 C ATOM 666 CG LYS A 46 -6.122 2.724 -8.896 1.00 0.00 C ATOM 667 CD LYS A 46 -5.652 1.378 -8.366 1.00 0.00 C ATOM 668 CE LYS A 46 -4.464 0.853 -9.157 1.00 0.00 C ATOM 669 NZ LYS A 46 -4.894 0.076 -10.353 1.00 0.00 N ATOM 0 H LYS A 46 -5.957 5.503 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.345 4.275 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.615 3.681 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.871 2.629 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.573 2.592 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.265 3.385 -9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.377 1.475 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.470 0.660 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.839 1.689 -9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.851 0.221 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.056 -0.265 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.469 -0.736 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.458 0.686 -10.979 1.00 0.00 H new ATOM 683 N MET A 47 -8.423 5.572 -6.430 1.00 0.00 N ATOM 684 CA MET A 47 -9.318 6.110 -5.411 1.00 0.00 C ATOM 685 C MET A 47 -10.335 7.063 -6.032 1.00 0.00 C ATOM 686 O MET A 47 -11.477 7.149 -5.578 1.00 0.00 O ATOM 687 CB MET A 47 -8.517 6.834 -4.328 1.00 0.00 C ATOM 688 CG MET A 47 -8.013 5.915 -3.228 1.00 0.00 C ATOM 689 SD MET A 47 -7.204 6.812 -1.889 1.00 0.00 S ATOM 690 CE MET A 47 -8.618 7.542 -1.068 1.00 0.00 C ATOM 0 H MET A 47 -7.436 5.582 -6.173 1.00 0.00 H new ATOM 0 HA MET A 47 -9.855 5.277 -4.957 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.666 7.334 -4.790 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.141 7.610 -3.884 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.850 5.345 -2.824 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.313 5.196 -3.653 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.282 8.342 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.301 7.949 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.132 6.780 -0.483 1.00 0.00 H new ATOM 700 N LEU A 48 -9.915 7.778 -7.068 1.00 0.00 N ATOM 701 CA LEU A 48 -10.789 8.726 -7.750 1.00 0.00 C ATOM 702 C LEU A 48 -12.009 8.019 -8.333 1.00 0.00 C ATOM 703 O LEU A 48 -13.143 8.462 -8.148 1.00 0.00 O ATOM 704 CB LEU A 48 -10.025 9.448 -8.860 1.00 0.00 C ATOM 705 CG LEU A 48 -9.168 10.636 -8.422 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.261 11.089 -9.557 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.048 11.785 -7.951 1.00 0.00 C ATOM 0 H LEU A 48 -8.973 7.720 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.131 9.458 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.380 8.725 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.744 9.798 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.542 10.318 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.659 11.935 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.605 10.269 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.869 11.388 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.420 12.621 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.700 12.101 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.654 11.457 -7.107 1.00 0.00 H new ATOM 719 N ARG A 49 -11.768 6.917 -9.036 1.00 0.00 N ATOM 720 CA ARG A 49 -12.846 6.149 -9.645 1.00 0.00 C ATOM 721 C ARG A 49 -13.630 5.377 -8.587 1.00 0.00 C ATOM 722 O ARG A 49 -14.847 5.230 -8.687 1.00 0.00 O ATOM 723 CB ARG A 49 -12.285 5.180 -10.687 1.00 0.00 C ATOM 724 CG ARG A 49 -11.077 5.720 -11.434 1.00 0.00 C ATOM 725 CD ARG A 49 -10.979 5.136 -12.834 1.00 0.00 C ATOM 726 NE ARG A 49 -12.056 5.608 -13.700 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.157 5.291 -14.987 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.251 4.506 -15.553 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.166 5.759 -15.709 1.00 0.00 N ATOM 0 H ARG A 49 -10.836 6.537 -9.198 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.523 6.848 -10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.009 4.248 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.068 4.940 -11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.142 6.806 -11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.170 5.486 -10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.018 5.404 -13.272 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.011 4.048 -12.776 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.770 6.214 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.474 4.144 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.331 4.264 -16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.865 6.363 -15.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.243 5.515 -16.696 1.00 0.00 H new ATOM 743 N ASP A 50 -12.922 4.888 -7.575 1.00 0.00 N ATOM 744 CA ASP A 50 -13.550 4.131 -6.499 1.00 0.00 C ATOM 745 C ASP A 50 -13.158 4.698 -5.137 1.00 0.00 C ATOM 746 O ASP A 50 -12.089 4.390 -4.611 1.00 0.00 O ATOM 747 CB ASP A 50 -13.154 2.656 -6.584 1.00 0.00 C ATOM 748 CG ASP A 50 -14.221 1.737 -6.021 1.00 0.00 C ATOM 749 OD1 ASP A 50 -15.409 2.121 -6.049 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.868 0.635 -5.552 1.00 0.00 O ATOM 0 H ASP A 50 -11.913 5.002 -7.477 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.631 4.215 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.964 2.393 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.222 2.501 -6.041 1.00 0.00 H new ATOM 755 N GLN A 51 -14.031 5.526 -4.574 1.00 0.00 N ATOM 756 CA GLN A 51 -13.776 6.137 -3.274 1.00 0.00 C ATOM 757 C GLN A 51 -14.422 5.327 -2.156 1.00 0.00 C ATOM 758 O GLN A 51 -15.087 5.882 -1.279 1.00 0.00 O ATOM 759 CB GLN A 51 -14.301 7.574 -3.250 1.00 0.00 C ATOM 760 CG GLN A 51 -13.850 8.407 -4.439 1.00 0.00 C ATOM 761 CD GLN A 51 -14.449 9.799 -4.437 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.387 10.083 -3.691 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.908 10.678 -5.272 1.00 0.00 N ATOM 0 H GLN A 51 -14.921 5.790 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.698 6.150 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.390 7.553 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.969 8.058 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.763 8.484 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.128 7.897 -5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.132 10.400 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.268 11.631 -5.313 1.00 0.00 H new ATOM 772 N SER A 52 -14.224 4.014 -2.192 1.00 0.00 N ATOM 773 CA SER A 52 -14.793 3.128 -1.184 1.00 0.00 C ATOM 774 C SER A 52 -13.703 2.290 -0.521 1.00 0.00 C ATOM 775 O SER A 52 -13.710 2.090 0.694 1.00 0.00 O ATOM 776 CB SER A 52 -15.844 2.211 -1.813 1.00 0.00 C ATOM 777 OG SER A 52 -15.487 1.861 -3.138 1.00 0.00 O ATOM 0 H SER A 52 -13.674 3.540 -2.908 1.00 0.00 H new ATOM 0 HA SER A 52 -15.269 3.745 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.951 1.308 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.813 2.710 -1.814 1.00 0.00 H new ATOM 0 HG SER A 52 -15.823 2.542 -3.758 1.00 0.00 H new ATOM 783 N ALA A 53 -12.767 1.802 -1.329 1.00 0.00 N ATOM 784 CA ALA A 53 -11.669 0.987 -0.822 1.00 0.00 C ATOM 785 C ALA A 53 -10.986 1.663 0.362 1.00 0.00 C ATOM 786 O ALA A 53 -10.534 0.998 1.293 1.00 0.00 O ATOM 787 CB ALA A 53 -10.662 0.712 -1.929 1.00 0.00 C ATOM 0 H ALA A 53 -12.747 1.957 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.081 0.039 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.848 0.103 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.153 0.180 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.263 1.656 -2.300 1.00 0.00 H new ATOM 793 N VAL A 54 -10.913 2.990 0.320 1.00 0.00 N ATOM 794 CA VAL A 54 -10.285 3.756 1.389 1.00 0.00 C ATOM 795 C VAL A 54 -10.924 5.133 1.526 1.00 0.00 C ATOM 796 O VAL A 54 -11.011 5.889 0.559 1.00 0.00 O ATOM 797 CB VAL A 54 -8.773 3.926 1.145 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.108 4.581 2.345 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.130 2.582 0.836 1.00 0.00 C ATOM 0 H VAL A 54 -11.282 3.557 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.436 3.195 2.311 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.633 4.578 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.041 4.692 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.551 5.562 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.255 3.958 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.062 2.720 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.279 1.905 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.587 2.157 -0.057 1.00 0.00 H new ATOM 809 N VAL A 55 -11.369 5.454 2.738 1.00 0.00 N ATOM 810 CA VAL A 55 -11.999 6.741 3.004 1.00 0.00 C ATOM 811 C VAL A 55 -11.008 7.722 3.619 1.00 0.00 C ATOM 812 O VAL A 55 -9.993 7.320 4.191 1.00 0.00 O ATOM 813 CB VAL A 55 -13.208 6.591 3.947 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.901 7.931 4.147 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.179 5.553 3.406 1.00 0.00 C ATOM 0 H VAL A 55 -11.304 4.840 3.550 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.342 7.129 2.045 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.849 6.248 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.752 7.804 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.199 8.642 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.249 8.308 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.027 5.460 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.533 5.863 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.674 4.591 3.322 1.00 0.00 H new ATOM 825 N VAL A 56 -11.306 9.012 3.499 1.00 0.00 N ATOM 826 CA VAL A 56 -10.441 10.052 4.044 1.00 0.00 C ATOM 827 C VAL A 56 -11.230 11.018 4.920 1.00 0.00 C ATOM 828 O VAL A 56 -12.238 11.577 4.492 1.00 0.00 O ATOM 829 CB VAL A 56 -9.743 10.845 2.924 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.775 11.860 3.512 1.00 0.00 C ATOM 831 CG2 VAL A 56 -9.024 9.901 1.971 1.00 0.00 C ATOM 0 H VAL A 56 -12.141 9.362 3.029 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.685 9.551 4.649 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.502 11.387 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.291 12.411 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.320 12.555 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.019 11.342 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.536 10.479 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.275 9.330 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.745 9.217 1.524 1.00 0.00 H new ATOM 841 N GLN A 57 -10.762 11.209 6.150 1.00 0.00 N ATOM 842 CA GLN A 57 -11.424 12.109 7.088 1.00 0.00 C ATOM 843 C GLN A 57 -10.482 13.223 7.530 1.00 0.00 C ATOM 844 O GLN A 57 -9.271 13.143 7.327 1.00 0.00 O ATOM 845 CB GLN A 57 -11.921 11.331 8.308 1.00 0.00 C ATOM 846 CG GLN A 57 -13.114 10.435 8.013 1.00 0.00 C ATOM 847 CD GLN A 57 -13.882 10.057 9.264 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.819 10.751 10.279 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.615 8.952 9.198 1.00 0.00 N ATOM 0 H GLN A 57 -9.928 10.753 6.520 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.277 12.560 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.106 10.721 8.696 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.192 12.037 9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.784 10.944 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.769 9.529 7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.639 8.406 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.155 8.649 10.009 1.00 0.00 H new ATOM 858 N GLY A 58 -11.047 14.263 8.136 1.00 0.00 N ATOM 859 CA GLY A 58 -10.242 15.380 8.597 1.00 0.00 C ATOM 860 C GLY A 58 -10.050 16.437 7.527 1.00 0.00 C ATOM 861 O GLY A 58 -9.236 17.348 7.682 1.00 0.00 O ATOM 0 H GLY A 58 -12.047 14.352 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.717 15.831 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.268 15.013 8.920 1.00 0.00 H new ATOM 865 N LEU A 59 -10.801 16.316 6.437 1.00 0.00 N ATOM 866 CA LEU A 59 -10.709 17.268 5.336 1.00 0.00 C ATOM 867 C LEU A 59 -11.579 18.493 5.600 1.00 0.00 C ATOM 868 O LEU A 59 -12.553 18.443 6.352 1.00 0.00 O ATOM 869 CB LEU A 59 -11.130 16.603 4.024 1.00 0.00 C ATOM 870 CG LEU A 59 -10.076 15.727 3.347 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.475 15.425 1.911 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.712 16.403 3.392 1.00 0.00 C ATOM 0 H LEU A 59 -11.480 15.568 6.293 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.672 17.593 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.012 15.992 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.429 17.383 3.324 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.011 14.784 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.713 14.800 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.430 14.900 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.569 16.358 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.974 15.765 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.763 17.360 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.422 16.568 4.430 1.00 0.00 H new ATOM 884 N PRO A 60 -11.223 19.620 4.967 1.00 0.00 N ATOM 885 CA PRO A 60 -11.960 20.878 5.116 1.00 0.00 C ATOM 886 C PRO A 60 -13.334 20.827 4.458 1.00 0.00 C ATOM 887 O PRO A 60 -13.790 19.765 4.036 1.00 0.00 O ATOM 888 CB PRO A 60 -11.065 21.899 4.407 1.00 0.00 C ATOM 889 CG PRO A 60 -10.286 21.099 3.421 1.00 0.00 C ATOM 890 CD PRO A 60 -10.073 19.753 4.056 1.00 0.00 C ATOM 0 HA PRO A 60 -12.155 21.115 6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.657 22.669 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.408 22.407 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.828 21.005 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.334 21.579 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.055 18.956 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.126 19.708 4.594 1.00 0.00 H new ATOM 898 N GLU A 61 -13.989 21.981 4.375 1.00 0.00 N ATOM 899 CA GLU A 61 -15.312 22.065 3.767 1.00 0.00 C ATOM 900 C GLU A 61 -15.211 22.432 2.289 1.00 0.00 C ATOM 901 O GLU A 61 -14.212 22.995 1.845 1.00 0.00 O ATOM 902 CB GLU A 61 -16.170 23.097 4.502 1.00 0.00 C ATOM 903 CG GLU A 61 -17.658 22.796 4.456 1.00 0.00 C ATOM 904 CD GLU A 61 -18.467 23.713 5.353 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.392 24.945 5.164 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.175 23.199 6.243 1.00 0.00 O ATOM 0 H GLU A 61 -13.626 22.869 4.721 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.783 21.086 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.850 23.148 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.993 24.080 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.013 22.892 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.825 21.761 4.755 1.00 0.00 H new ATOM 913 N GLY A 62 -16.254 22.106 1.532 1.00 0.00 N ATOM 914 CA GLY A 62 -16.263 22.407 0.113 1.00 0.00 C ATOM 915 C GLY A 62 -15.086 21.791 -0.619 1.00 0.00 C ATOM 916 O GLY A 62 -14.759 22.193 -1.735 1.00 0.00 O ATOM 0 H GLY A 62 -17.093 21.639 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.191 22.042 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.248 23.488 -0.026 1.00 0.00 H new ATOM 920 N VAL A 63 -14.445 20.812 0.014 1.00 0.00 N ATOM 921 CA VAL A 63 -13.298 20.140 -0.583 1.00 0.00 C ATOM 922 C VAL A 63 -13.652 18.719 -1.005 1.00 0.00 C ATOM 923 O VAL A 63 -14.757 18.242 -0.750 1.00 0.00 O ATOM 924 CB VAL A 63 -12.106 20.092 0.392 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.289 18.974 1.405 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.801 19.924 -0.371 1.00 0.00 C ATOM 0 H VAL A 63 -14.701 20.468 0.939 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.016 20.718 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.064 21.037 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.437 18.956 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.203 19.144 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.358 18.019 0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.969 19.892 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.830 18.995 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.667 20.764 -1.053 1.00 0.00 H new ATOM 936 N ALA A 64 -12.705 18.046 -1.652 1.00 0.00 N ATOM 937 CA ALA A 64 -12.916 16.677 -2.107 1.00 0.00 C ATOM 938 C ALA A 64 -11.590 15.949 -2.291 1.00 0.00 C ATOM 939 O ALA A 64 -10.741 16.372 -3.078 1.00 0.00 O ATOM 940 CB ALA A 64 -13.710 16.670 -3.405 1.00 0.00 C ATOM 0 H ALA A 64 -11.785 18.427 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.486 16.149 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.861 15.642 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.678 17.144 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.161 17.219 -4.170 1.00 0.00 H new ATOM 946 N PHE A 65 -11.414 14.853 -1.560 1.00 0.00 N ATOM 947 CA PHE A 65 -10.189 14.067 -1.642 1.00 0.00 C ATOM 948 C PHE A 65 -9.635 14.070 -3.064 1.00 0.00 C ATOM 949 O PHE A 65 -10.296 13.623 -4.001 1.00 0.00 O ATOM 950 CB PHE A 65 -10.449 12.629 -1.187 1.00 0.00 C ATOM 951 CG PHE A 65 -9.264 11.722 -1.360 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.185 11.797 -0.494 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.229 10.795 -2.389 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.093 10.966 -0.651 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.140 9.959 -2.550 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.072 10.043 -1.680 1.00 0.00 C ATOM 0 H PHE A 65 -12.105 14.489 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.450 14.522 -0.982 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.741 12.636 -0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.291 12.225 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.198 12.514 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.062 10.725 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.257 11.037 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.125 9.240 -3.356 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.221 9.389 -1.803 1.00 0.00 H new ATOM 966 N LYS A 66 -8.416 14.578 -3.216 1.00 0.00 N ATOM 967 CA LYS A 66 -7.771 14.641 -4.522 1.00 0.00 C ATOM 968 C LYS A 66 -6.284 14.950 -4.379 1.00 0.00 C ATOM 969 O LYS A 66 -5.810 15.281 -3.292 1.00 0.00 O ATOM 970 CB LYS A 66 -8.442 15.703 -5.395 1.00 0.00 C ATOM 971 CG LYS A 66 -8.292 17.116 -4.858 1.00 0.00 C ATOM 972 CD LYS A 66 -8.848 18.144 -5.829 1.00 0.00 C ATOM 973 CE LYS A 66 -10.361 18.249 -5.724 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.783 18.953 -4.481 1.00 0.00 N ATOM 0 H LYS A 66 -7.855 14.952 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.878 13.667 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.018 15.658 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.503 15.469 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.810 17.200 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.239 17.325 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.400 19.117 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.571 17.871 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.749 18.781 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.797 17.250 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.646 19.502 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.973 18.255 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.025 19.594 -4.171 1.00 0.00 H new ATOM 988 N HIS A 67 -5.552 14.840 -5.483 1.00 0.00 N ATOM 989 CA HIS A 67 -4.120 15.110 -5.482 1.00 0.00 C ATOM 990 C HIS A 67 -3.810 16.397 -4.724 1.00 0.00 C ATOM 991 O HIS A 67 -4.545 17.382 -4.800 1.00 0.00 O ATOM 992 CB HIS A 67 -3.595 15.209 -6.915 1.00 0.00 C ATOM 993 CG HIS A 67 -2.197 14.699 -7.078 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.122 15.522 -7.340 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.700 13.441 -7.014 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.024 14.791 -7.431 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.348 13.526 -7.237 1.00 0.00 N ATOM 0 H HIS A 67 -5.928 14.565 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.621 14.283 -4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.257 14.648 -7.575 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.633 16.250 -7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.262 12.539 -6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.969 15.165 -7.630 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.301 12.739 -7.251 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.697 16.391 -3.975 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.265 17.550 -3.189 1.00 0.00 C ATOM 1007 C PRO A 68 -1.785 18.700 -4.067 1.00 0.00 C ATOM 1008 O PRO A 68 -1.406 19.759 -3.567 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.109 17.000 -2.350 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.585 15.848 -3.137 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.774 15.252 -3.839 1.00 0.00 C ATOM 0 HA PRO A 68 -3.080 17.966 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.339 17.755 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.450 16.684 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.168 16.175 -3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.108 15.115 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.501 14.838 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.218 14.442 -3.260 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.805 18.486 -5.379 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.371 19.505 -6.327 1.00 0.00 C ATOM 1021 C GLU A 69 -2.566 20.279 -6.878 1.00 0.00 C ATOM 1022 O GLU A 69 -2.411 21.366 -7.432 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.590 18.865 -7.476 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.464 18.428 -8.639 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.722 17.559 -9.634 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.315 18.014 -10.162 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.176 16.423 -9.884 1.00 0.00 O ATOM 0 H GLU A 69 -2.117 17.616 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.720 20.202 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.153 19.575 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.046 18.000 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.325 17.880 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.850 19.310 -9.150 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.755 19.709 -6.722 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.976 20.345 -7.204 1.00 0.00 C ATOM 1036 C ASN A 70 -5.465 21.402 -6.220 1.00 0.00 C ATOM 1037 O ASN A 70 -6.309 22.234 -6.554 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.068 19.295 -7.427 1.00 0.00 C ATOM 1039 CG ASN A 70 -7.139 19.771 -8.389 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -8.290 19.976 -8.003 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.764 19.947 -9.651 1.00 0.00 N ATOM 0 H ASN A 70 -3.900 18.808 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.751 20.834 -8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.616 18.381 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.528 19.044 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.441 20.264 -10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.799 19.765 -9.926 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.929 21.364 -5.005 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.312 22.319 -3.971 1.00 0.00 C ATOM 1050 C TYR A 71 -4.447 23.573 -4.040 1.00 0.00 C ATOM 1051 O TYR A 71 -3.227 23.492 -4.186 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.190 21.678 -2.587 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.184 20.563 -2.347 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.523 20.715 -2.683 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.782 19.358 -1.784 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.433 19.699 -2.465 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.685 18.336 -1.563 1.00 0.00 C ATOM 1058 CZ TYR A 71 -8.010 18.512 -1.904 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.913 17.498 -1.686 1.00 0.00 O ATOM 0 H TYR A 71 -4.229 20.683 -4.712 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.350 22.606 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.180 21.286 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.328 22.446 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.858 21.643 -3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.746 19.218 -1.514 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.471 19.833 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.356 17.405 -1.126 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.689 17.619 -2.273 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.088 24.731 -3.934 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.378 26.005 -3.983 1.00 0.00 C ATOM 1071 C ASP A 72 -3.421 26.140 -2.803 1.00 0.00 C ATOM 1072 O ASP A 72 -3.674 25.606 -1.722 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.373 27.168 -3.985 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.584 26.893 -4.855 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.432 26.870 -6.094 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.684 26.699 -4.296 1.00 0.00 O ATOM 0 H ASP A 72 -6.097 24.815 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.796 26.033 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.700 27.364 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.873 28.070 -4.338 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.322 26.854 -3.017 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.326 27.059 -1.971 1.00 0.00 C ATOM 1083 C LEU A 73 -1.995 27.309 -0.624 1.00 0.00 C ATOM 1084 O LEU A 73 -1.532 26.826 0.409 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.416 28.235 -2.330 1.00 0.00 C ATOM 1086 CG LEU A 73 0.684 28.564 -1.320 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.298 27.288 -0.766 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.752 29.437 -1.961 1.00 0.00 C ATOM 0 H LEU A 73 -2.098 27.301 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.724 26.154 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.052 28.026 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.036 29.121 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 73 0.239 29.117 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.079 27.541 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.527 26.699 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.729 26.708 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.527 29.661 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.194 28.910 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.302 30.367 -2.309 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.087 28.066 -0.643 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.822 28.377 0.577 1.00 0.00 C ATOM 1102 C ALA A 74 -4.350 27.108 1.238 1.00 0.00 C ATOM 1103 O ALA A 74 -4.065 26.840 2.406 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.966 29.332 0.273 1.00 0.00 C ATOM 0 H ALA A 74 -3.482 28.475 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.136 28.859 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.507 29.556 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.567 30.255 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.645 28.870 -0.444 1.00 0.00 H new ATOM 1110 N THR A 75 -5.121 26.331 0.485 1.00 0.00 N ATOM 1111 CA THR A 75 -5.691 25.092 0.999 1.00 0.00 C ATOM 1112 C THR A 75 -4.598 24.132 1.457 1.00 0.00 C ATOM 1113 O THR A 75 -4.687 23.541 2.533 1.00 0.00 O ATOM 1114 CB THR A 75 -6.562 24.391 -0.061 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.586 25.281 -0.520 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.195 23.130 0.506 1.00 0.00 C ATOM 0 H THR A 75 -5.365 26.538 -0.483 1.00 0.00 H new ATOM 0 HA THR A 75 -6.315 25.362 1.851 1.00 0.00 H new ATOM 0 HB THR A 75 -5.922 24.112 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.134 24.829 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.805 22.653 -0.261 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.412 22.443 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.822 23.390 1.359 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.566 23.982 0.633 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.454 23.095 0.954 1.00 0.00 C ATOM 1126 C LEU A 76 -1.988 23.303 2.391 1.00 0.00 C ATOM 1127 O LEU A 76 -1.838 22.347 3.152 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.291 23.334 -0.011 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.346 22.565 -1.331 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.242 23.032 -2.267 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.240 21.069 -1.083 1.00 0.00 C ATOM 0 H LEU A 76 -3.477 24.463 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.800 22.067 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.245 24.400 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.363 23.075 0.499 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.306 22.766 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.297 22.474 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.365 24.095 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.728 22.862 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.281 20.539 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.296 20.849 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.067 20.745 -0.451 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.763 24.560 2.759 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.317 24.896 4.106 1.00 0.00 C ATOM 1145 C LYS A 77 -2.280 24.341 5.151 1.00 0.00 C ATOM 1146 O LYS A 77 -1.857 23.785 6.165 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.198 26.414 4.262 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.188 27.044 3.319 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.218 28.561 3.403 1.00 0.00 C ATOM 1150 CE LYS A 77 1.095 29.172 2.938 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.303 30.535 3.501 1.00 0.00 N ATOM 0 H LYS A 77 -1.882 25.364 2.142 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.338 24.443 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.175 26.866 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.916 26.644 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.812 26.685 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.399 26.731 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.035 28.944 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.418 28.866 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.921 28.526 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.106 29.223 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.208 30.917 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.528 31.158 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.318 30.483 4.540 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.574 24.495 4.898 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.596 24.007 5.816 1.00 0.00 C ATOM 1167 C TRP A 78 -4.384 22.531 6.134 1.00 0.00 C ATOM 1168 O TRP A 78 -4.188 22.157 7.290 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.990 24.218 5.222 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.097 23.986 6.205 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.738 24.929 6.955 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.690 22.728 6.545 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.695 24.334 7.741 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.687 22.985 7.507 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.479 21.411 6.129 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.467 21.971 8.059 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.254 20.407 6.676 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.238 20.691 7.633 1.00 0.00 C ATOM 0 H TRP A 78 -3.941 24.954 4.064 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.515 24.574 6.743 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.063 25.235 4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.121 23.546 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.524 25.987 6.934 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.312 24.819 8.393 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.723 21.182 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.225 22.188 8.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.099 19.386 6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.827 19.884 8.042 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.423 21.697 5.101 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.233 20.262 5.270 1.00 0.00 C ATOM 1191 C ILE A 79 -3.109 19.969 6.258 1.00 0.00 C ATOM 1192 O ILE A 79 -3.297 19.235 7.229 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.915 19.574 3.929 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.098 19.709 2.968 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.573 18.108 4.154 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.865 19.049 1.628 1.00 0.00 C ATOM 0 H ILE A 79 -4.585 21.990 4.138 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.170 19.864 5.660 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.050 20.065 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.983 19.272 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.310 20.767 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.351 17.635 3.197 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.703 18.033 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.420 17.604 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.744 19.184 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.999 19.502 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.683 17.984 1.774 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.941 20.549 6.006 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.786 20.353 6.874 1.00 0.00 C ATOM 1210 C LEU A 80 -1.076 20.850 8.288 1.00 0.00 C ATOM 1211 O LEU A 80 -0.628 20.256 9.268 1.00 0.00 O ATOM 1212 CB LEU A 80 0.434 21.079 6.306 1.00 0.00 C ATOM 1213 CG LEU A 80 1.198 20.347 5.202 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.292 21.236 4.631 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.785 19.047 5.731 1.00 0.00 C ATOM 0 H LEU A 80 -1.769 21.159 5.207 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.575 19.285 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.109 22.044 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.124 21.282 7.125 1.00 0.00 H new ATOM 0 HG LEU A 80 0.499 20.106 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.825 20.699 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.846 22.139 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.990 21.508 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.325 18.540 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.470 19.264 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.981 18.404 6.090 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.829 21.941 8.382 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.179 22.517 9.675 1.00 0.00 C ATOM 1229 C GLU A 81 -3.039 21.550 10.486 1.00 0.00 C ATOM 1230 O GLU A 81 -2.718 21.226 11.627 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.922 23.840 9.485 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.012 25.058 9.509 1.00 0.00 C ATOM 1233 CD GLU A 81 -0.981 24.993 10.618 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.369 25.132 11.798 1.00 0.00 O ATOM 1235 OE2 GLU A 81 0.214 24.804 10.310 1.00 0.00 O ATOM 0 H GLU A 81 -2.208 22.443 7.579 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.255 22.703 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.456 23.814 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.672 23.942 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.503 25.146 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.617 25.956 9.632 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.134 21.095 9.886 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.041 20.167 10.551 1.00 0.00 C ATOM 1244 C ASN A 82 -4.801 18.738 10.076 1.00 0.00 C ATOM 1245 O ASN A 82 -5.737 17.946 9.958 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.495 20.567 10.290 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.838 21.919 10.884 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.754 22.037 11.699 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.103 22.948 10.477 1.00 0.00 N ATOM 0 H ASN A 82 -4.415 21.354 8.940 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.846 20.212 11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.676 20.589 9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.158 19.810 10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.288 23.883 10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.354 22.804 9.800 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.542 18.414 9.803 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.178 17.079 9.343 1.00 0.00 C ATOM 1258 C LYS A 83 -3.235 16.073 10.488 1.00 0.00 C ATOM 1259 O LYS A 83 -3.886 15.034 10.380 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.773 17.094 8.733 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.675 17.380 9.742 1.00 0.00 C ATOM 1262 CD LYS A 83 0.666 17.594 9.062 1.00 0.00 C ATOM 1263 CE LYS A 83 1.294 16.273 8.640 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.654 16.465 8.064 1.00 0.00 N ATOM 0 H LYS A 83 -2.756 19.058 9.892 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.897 16.776 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.580 16.130 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.736 17.847 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.935 18.265 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.599 16.549 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.534 18.231 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.340 18.118 9.740 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.355 15.608 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.654 15.785 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.140 15.547 8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.573 16.871 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.200 17.110 8.670 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.553 16.391 11.583 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.530 15.516 12.749 1.00 0.00 C ATOM 1280 C ALA A 84 -3.884 14.847 12.959 1.00 0.00 C ATOM 1281 O ALA A 84 -3.963 13.728 13.465 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.129 16.301 13.989 1.00 0.00 C ATOM 0 H ALA A 84 -2.009 17.248 11.687 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.791 14.734 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.116 15.636 14.852 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.136 16.728 13.844 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.847 17.103 14.160 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.949 15.540 12.569 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.286 14.997 12.724 1.00 0.00 C ATOM 1290 C GLY A 85 -6.685 14.100 11.569 1.00 0.00 C ATOM 1291 O GLY A 85 -7.350 13.082 11.766 1.00 0.00 O ATOM 0 H GLY A 85 -4.910 16.468 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.340 14.432 13.654 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.000 15.816 12.807 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.281 14.478 10.361 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.602 13.701 9.170 1.00 0.00 C ATOM 1297 C ILE A 86 -6.359 12.214 9.404 1.00 0.00 C ATOM 1298 O ILE A 86 -5.261 11.806 9.783 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.772 14.162 7.957 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.377 15.429 7.350 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.695 13.055 6.918 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.575 15.989 6.196 1.00 0.00 C ATOM 0 H ILE A 86 -5.731 15.318 10.181 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.659 13.865 8.959 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.760 14.390 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.388 15.211 7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.461 16.190 8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.105 13.395 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.224 12.176 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.700 12.799 6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.063 16.886 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.571 16.239 6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.512 15.245 5.402 1.00 0.00 H new ATOM 1314 N SER A 87 -7.390 11.408 9.171 1.00 0.00 N ATOM 1315 CA SER A 87 -7.289 9.966 9.357 1.00 0.00 C ATOM 1316 C SER A 87 -7.680 9.225 8.082 1.00 0.00 C ATOM 1317 O SER A 87 -8.215 9.818 7.145 1.00 0.00 O ATOM 1318 CB SER A 87 -8.182 9.516 10.515 1.00 0.00 C ATOM 1319 OG SER A 87 -7.889 10.242 11.696 1.00 0.00 O ATOM 0 H SER A 87 -8.304 11.729 8.853 1.00 0.00 H new ATOM 0 HA SER A 87 -6.252 9.727 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.229 9.658 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.040 8.450 10.695 1.00 0.00 H new ATOM 0 HG SER A 87 -7.899 11.202 11.501 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.408 7.925 8.053 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.730 7.101 6.893 1.00 0.00 C ATOM 1327 C PHE A 88 -8.361 5.780 7.322 1.00 0.00 C ATOM 1328 O PHE A 88 -7.829 5.076 8.181 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.469 6.833 6.067 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.226 7.857 4.996 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -6.039 9.191 5.325 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.182 7.488 3.661 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.813 10.137 4.343 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -5.957 8.430 2.675 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.774 9.756 3.016 1.00 0.00 C ATOM 0 H PHE A 88 -6.965 7.419 8.820 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.450 7.644 6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.607 6.804 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.549 5.848 5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.070 9.494 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.325 6.453 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.667 11.173 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.924 8.129 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.601 10.494 2.246 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.498 5.451 6.718 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.202 4.215 7.037 1.00 0.00 C ATOM 1347 C ILE A 89 -10.185 3.252 5.854 1.00 0.00 C ATOM 1348 O ILE A 89 -10.808 3.508 4.824 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.663 4.487 7.441 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.722 5.565 8.527 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.327 3.206 7.922 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -11.888 6.966 7.979 1.00 0.00 C ATOM 0 H ILE A 89 -9.951 6.023 6.005 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.679 3.762 7.879 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.205 4.848 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.551 5.346 9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.809 5.522 9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.359 3.415 8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.312 2.466 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.786 2.818 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.922 7.678 8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.046 7.204 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.815 7.026 7.409 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.468 2.144 6.012 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.372 1.142 4.958 1.00 0.00 C ATOM 1366 C ILE A 90 -10.572 0.202 4.983 1.00 0.00 C ATOM 1367 O ILE A 90 -10.750 -0.572 5.924 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.081 0.312 5.087 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.099 0.680 3.973 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.402 -1.175 5.049 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.159 1.805 4.344 1.00 0.00 C ATOM 0 H ILE A 90 -8.946 1.918 6.859 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.355 1.681 4.010 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.614 0.539 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.513 -0.201 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.661 0.965 3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.480 -1.749 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.069 -1.425 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.888 -1.418 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.492 2.012 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.736 2.699 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.570 1.515 5.214 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.394 0.272 3.942 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.577 -0.574 3.840 1.00 0.00 C ATOM 1385 C LYS A 91 -12.256 -1.872 3.107 1.00 0.00 C ATOM 1386 O LYS A 91 -12.872 -2.908 3.360 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.701 0.170 3.115 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.938 1.575 3.640 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.020 1.595 4.708 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.438 3.018 5.050 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.821 3.072 5.600 1.00 0.00 N ATOM 0 H LYS A 91 -11.262 0.907 3.155 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.905 -0.820 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.464 0.223 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.623 -0.404 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.010 1.972 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.226 2.229 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.887 1.033 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.656 1.096 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.742 3.437 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.378 3.639 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.069 4.058 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.489 2.696 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.872 2.500 6.467 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.289 -1.809 2.198 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.886 -2.980 1.429 1.00 0.00 C ATOM 1407 C ARG A 92 -9.742 -2.640 0.478 1.00 0.00 C ATOM 1408 O ARG A 92 -9.753 -1.615 -0.205 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.074 -3.530 0.638 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.671 -4.319 -0.598 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.294 -3.398 -1.748 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.653 -3.965 -3.044 1.00 0.00 N ATOM 1413 CZ ARG A 92 -12.904 -4.074 -3.478 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -13.910 -3.656 -2.723 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.150 -4.602 -4.670 1.00 0.00 N ATOM 0 H ARG A 92 -10.770 -0.959 1.976 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.540 -3.741 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.668 -4.171 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.714 -2.701 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.828 -4.967 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.494 -4.965 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.794 -2.438 -1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.221 -3.205 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.902 -4.296 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.725 -3.249 -1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.869 -3.741 -3.059 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.378 -4.925 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.111 -4.685 -5.002 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.730 -3.518 0.431 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.559 -3.331 -0.431 1.00 0.00 C ATOM 1431 C PRO A 93 -7.897 -3.494 -1.910 1.00 0.00 C ATOM 1432 O PRO A 93 -8.518 -4.479 -2.310 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.603 -4.438 0.024 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.488 -5.490 0.599 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.649 -4.761 1.217 1.00 0.00 C ATOM 0 HA PRO A 93 -7.143 -2.327 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.019 -4.825 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.894 -4.069 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.827 -6.180 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.957 -6.082 1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.570 -5.340 1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.479 -4.557 2.274 1.00 0.00 H new