USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 60 THR OG1 : rot 160:sc= -0.0984 USER MOD Set 1.2: A 63 GLN : amide:sc= -1.07 K(o=-1.2,f=-4.8!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 THR OG1 : rot 63:sc= -0.969! USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.937 USER MOD Single : A 27 CYS SG : rot 120:sc= -1.42 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -163:sc= -4.09! (180deg=-4.85!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 50 TYR OH : rot 171:sc= 0.162 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 62 LYS NZ :NH3+ -126:sc=-0.00584 (180deg=-0.309) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -1.62 F(o=-2.4,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 14.209 0.962 9.468 1.00 0.00 N ATOM 131 CA SER A 10 13.814 -0.435 9.433 1.00 0.00 C ATOM 132 C SER A 10 13.097 -0.767 8.126 1.00 0.00 C ATOM 133 O SER A 10 11.878 -0.625 8.025 1.00 0.00 O ATOM 134 CB SER A 10 12.913 -0.764 10.624 1.00 0.00 C ATOM 135 OG SER A 10 13.182 -2.062 11.124 1.00 0.00 O ATOM 0 HA SER A 10 14.717 -1.043 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.065 -0.028 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.868 -0.696 10.323 1.00 0.00 H new ATOM 0 HG SER A 10 12.594 -2.247 11.886 1.00 0.00 H new ATOM 141 N PRO A 11 13.845 -1.217 7.104 1.00 0.00 N ATOM 142 CA PRO A 11 13.274 -1.571 5.801 1.00 0.00 C ATOM 143 C PRO A 11 12.380 -2.806 5.872 1.00 0.00 C ATOM 144 O PRO A 11 11.636 -3.098 4.936 1.00 0.00 O ATOM 145 CB PRO A 11 14.495 -1.847 4.919 1.00 0.00 C ATOM 146 CG PRO A 11 15.675 -1.343 5.683 1.00 0.00 C ATOM 147 CD PRO A 11 15.300 -1.419 7.134 1.00 0.00 C ATOM 0 HA PRO A 11 12.635 -0.775 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.592 -2.912 4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.406 -1.339 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.558 -1.947 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.915 -0.319 5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.566 -2.382 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.803 -0.652 7.723 1.00 0.00 H new ATOM 155 N ASP A 12 12.455 -3.526 6.987 1.00 0.00 N ATOM 156 CA ASP A 12 11.650 -4.727 7.176 1.00 0.00 C ATOM 157 C ASP A 12 10.162 -4.412 7.081 1.00 0.00 C ATOM 158 O ASP A 12 9.349 -5.287 6.783 1.00 0.00 O ATOM 159 CB ASP A 12 11.964 -5.366 8.527 1.00 0.00 C ATOM 160 CG ASP A 12 12.653 -6.710 8.387 1.00 0.00 C ATOM 161 OD1 ASP A 12 11.944 -7.735 8.310 1.00 0.00 O ATOM 162 OD2 ASP A 12 13.901 -6.736 8.354 1.00 0.00 O ATOM 0 H ASP A 12 13.065 -3.299 7.773 1.00 0.00 H new ATOM 0 HA ASP A 12 11.901 -5.429 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.599 -4.694 9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.039 -5.492 9.090 1.00 0.00 H new ATOM 167 N ILE A 13 9.813 -3.158 7.333 1.00 0.00 N ATOM 168 CA ILE A 13 8.427 -2.726 7.273 1.00 0.00 C ATOM 169 C ILE A 13 7.953 -2.671 5.832 1.00 0.00 C ATOM 170 O ILE A 13 6.863 -3.136 5.499 1.00 0.00 O ATOM 171 CB ILE A 13 8.232 -1.350 7.959 1.00 0.00 C ATOM 172 CG1 ILE A 13 6.888 -1.308 8.687 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.337 -0.199 6.964 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.906 -2.007 10.029 1.00 0.00 C ATOM 0 H ILE A 13 10.474 -2.422 7.581 1.00 0.00 H new ATOM 0 HA ILE A 13 7.826 -3.456 7.815 1.00 0.00 H new ATOM 0 HB ILE A 13 9.035 -1.226 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.595 -0.268 8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.128 -1.769 8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.194 0.747 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.322 -0.211 6.497 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.570 -0.310 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.920 -1.938 10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.168 -3.056 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.643 -1.532 10.677 1.00 0.00 H new ATOM 186 N GLU A 14 8.798 -2.116 4.985 1.00 0.00 N ATOM 187 CA GLU A 14 8.497 -2.009 3.565 1.00 0.00 C ATOM 188 C GLU A 14 8.299 -3.396 2.968 1.00 0.00 C ATOM 189 O GLU A 14 7.639 -3.555 1.940 1.00 0.00 O ATOM 190 CB GLU A 14 9.621 -1.274 2.832 1.00 0.00 C ATOM 191 CG GLU A 14 9.420 0.231 2.764 1.00 0.00 C ATOM 192 CD GLU A 14 8.925 0.692 1.407 1.00 0.00 C ATOM 193 OE1 GLU A 14 7.713 0.555 1.140 1.00 0.00 O ATOM 194 OE2 GLU A 14 9.749 1.191 0.612 1.00 0.00 O ATOM 0 H GLU A 14 9.703 -1.730 5.254 1.00 0.00 H new ATOM 0 HA GLU A 14 7.576 -1.437 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.567 -1.484 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.701 -1.668 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.705 0.533 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.362 0.730 2.992 1.00 0.00 H new ATOM 201 N GLN A 15 8.869 -4.398 3.629 1.00 0.00 N ATOM 202 CA GLN A 15 8.755 -5.772 3.183 1.00 0.00 C ATOM 203 C GLN A 15 7.357 -6.301 3.433 1.00 0.00 C ATOM 204 O GLN A 15 6.671 -6.749 2.514 1.00 0.00 O ATOM 205 CB GLN A 15 9.782 -6.632 3.886 1.00 0.00 C ATOM 206 CG GLN A 15 11.064 -6.771 3.095 1.00 0.00 C ATOM 207 CD GLN A 15 11.003 -7.884 2.068 1.00 0.00 C ATOM 208 OE1 GLN A 15 10.382 -7.739 1.014 1.00 0.00 O ATOM 209 NE2 GLN A 15 11.647 -9.005 2.370 1.00 0.00 N ATOM 0 H GLN A 15 9.417 -4.277 4.481 1.00 0.00 H new ATOM 0 HA GLN A 15 8.944 -5.807 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.006 -6.200 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.361 -7.621 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.278 -5.829 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.890 -6.960 3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.149 -9.082 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.640 -9.789 1.717 1.00 0.00 H new ATOM 218 N SER A 16 6.937 -6.223 4.682 1.00 0.00 N ATOM 219 CA SER A 16 5.609 -6.669 5.065 1.00 0.00 C ATOM 220 C SER A 16 4.558 -5.793 4.401 1.00 0.00 C ATOM 221 O SER A 16 3.415 -6.209 4.209 1.00 0.00 O ATOM 222 CB SER A 16 5.446 -6.633 6.586 1.00 0.00 C ATOM 223 OG SER A 16 4.660 -7.721 7.041 1.00 0.00 O ATOM 0 H SER A 16 7.497 -5.854 5.451 1.00 0.00 H new ATOM 0 HA SER A 16 5.476 -7.698 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.427 -6.665 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.979 -5.694 6.883 1.00 0.00 H new ATOM 0 HG SER A 16 4.572 -7.676 8.016 1.00 0.00 H new ATOM 229 N PHE A 17 4.960 -4.579 4.040 1.00 0.00 N ATOM 230 CA PHE A 17 4.065 -3.647 3.384 1.00 0.00 C ATOM 231 C PHE A 17 3.818 -4.071 1.946 1.00 0.00 C ATOM 232 O PHE A 17 2.752 -3.815 1.386 1.00 0.00 O ATOM 233 CB PHE A 17 4.631 -2.230 3.435 1.00 0.00 C ATOM 234 CG PHE A 17 3.820 -1.294 4.285 1.00 0.00 C ATOM 235 CD1 PHE A 17 2.436 -1.299 4.217 1.00 0.00 C ATOM 236 CD2 PHE A 17 4.441 -0.412 5.155 1.00 0.00 C ATOM 237 CE1 PHE A 17 1.686 -0.444 5.000 1.00 0.00 C ATOM 238 CE2 PHE A 17 3.696 0.447 5.941 1.00 0.00 C ATOM 239 CZ PHE A 17 2.317 0.431 5.863 1.00 0.00 C ATOM 0 H PHE A 17 5.903 -4.222 4.193 1.00 0.00 H new ATOM 0 HA PHE A 17 3.113 -3.654 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.650 -2.267 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.687 -1.832 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.938 -1.980 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.519 -0.396 5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.608 -0.459 4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.192 1.130 6.615 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.733 1.102 6.476 1.00 0.00 H new ATOM 249 N GLN A 18 4.804 -4.738 1.355 1.00 0.00 N ATOM 250 CA GLN A 18 4.675 -5.210 -0.014 1.00 0.00 C ATOM 251 C GLN A 18 3.568 -6.243 -0.104 1.00 0.00 C ATOM 252 O GLN A 18 2.810 -6.278 -1.071 1.00 0.00 O ATOM 253 CB GLN A 18 5.990 -5.809 -0.519 1.00 0.00 C ATOM 254 CG GLN A 18 5.830 -6.624 -1.795 1.00 0.00 C ATOM 255 CD GLN A 18 7.150 -6.876 -2.498 1.00 0.00 C ATOM 256 OE1 GLN A 18 8.006 -7.603 -1.994 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.321 -6.274 -3.669 1.00 0.00 N ATOM 0 H GLN A 18 5.694 -4.961 1.801 1.00 0.00 H new ATOM 0 HA GLN A 18 4.426 -4.356 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.703 -5.004 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.414 -6.444 0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.363 -7.579 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.156 -6.101 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.584 -5.680 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.189 -6.406 -4.188 1.00 0.00 H new ATOM 266 N GLU A 19 3.480 -7.080 0.918 1.00 0.00 N ATOM 267 CA GLU A 19 2.459 -8.117 0.964 1.00 0.00 C ATOM 268 C GLU A 19 1.084 -7.502 0.784 1.00 0.00 C ATOM 269 O GLU A 19 0.258 -8.003 0.024 1.00 0.00 O ATOM 270 CB GLU A 19 2.533 -8.888 2.280 1.00 0.00 C ATOM 271 CG GLU A 19 2.836 -10.367 2.101 1.00 0.00 C ATOM 272 CD GLU A 19 2.455 -11.191 3.316 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.227 -11.192 4.298 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.385 -11.834 3.285 1.00 0.00 O ATOM 0 H GLU A 19 4.102 -7.062 1.726 1.00 0.00 H new ATOM 0 HA GLU A 19 2.638 -8.819 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.302 -8.442 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.586 -8.781 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.299 -10.741 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.899 -10.494 1.899 1.00 0.00 H new ATOM 281 N ALA A 20 0.863 -6.397 1.474 1.00 0.00 N ATOM 282 CA ALA A 20 -0.397 -5.681 1.384 1.00 0.00 C ATOM 283 C ALA A 20 -0.522 -5.005 0.025 1.00 0.00 C ATOM 284 O ALA A 20 -1.623 -4.806 -0.488 1.00 0.00 O ATOM 285 CB ALA A 20 -0.512 -4.659 2.504 1.00 0.00 C ATOM 0 H ALA A 20 1.543 -5.975 2.106 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.212 -6.396 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.463 -4.132 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.463 -5.167 3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.307 -3.943 2.429 1.00 0.00 H new ATOM 291 N LEU A 21 0.623 -4.663 -0.553 1.00 0.00 N ATOM 292 CA LEU A 21 0.666 -4.018 -1.855 1.00 0.00 C ATOM 293 C LEU A 21 0.374 -5.022 -2.960 1.00 0.00 C ATOM 294 O LEU A 21 -0.337 -4.722 -3.919 1.00 0.00 O ATOM 295 CB LEU A 21 2.028 -3.364 -2.081 1.00 0.00 C ATOM 296 CG LEU A 21 1.985 -1.883 -2.463 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.482 -1.713 -3.889 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.113 -1.103 -1.490 1.00 0.00 C ATOM 0 H LEU A 21 1.539 -4.824 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.101 -3.244 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.620 -3.471 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.549 -3.910 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 21 2.998 -1.485 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.458 -0.653 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.149 -2.235 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.478 -2.129 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.096 -0.052 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.099 -1.502 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.519 -1.196 -0.483 1.00 0.00 H new ATOM 310 N SER A 22 0.922 -6.217 -2.807 1.00 0.00 N ATOM 311 CA SER A 22 0.719 -7.279 -3.779 1.00 0.00 C ATOM 312 C SER A 22 -0.683 -7.852 -3.644 1.00 0.00 C ATOM 313 O SER A 22 -1.290 -8.291 -4.621 1.00 0.00 O ATOM 314 CB SER A 22 1.761 -8.383 -3.592 1.00 0.00 C ATOM 315 OG SER A 22 2.956 -8.082 -4.291 1.00 0.00 O ATOM 0 H SER A 22 1.512 -6.476 -2.017 1.00 0.00 H new ATOM 0 HA SER A 22 0.834 -6.860 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.978 -8.506 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.358 -9.331 -3.947 1.00 0.00 H new ATOM 0 HG SER A 22 3.606 -8.803 -4.153 1.00 0.00 H new ATOM 321 N ILE A 23 -1.188 -7.835 -2.419 1.00 0.00 N ATOM 322 CA ILE A 23 -2.518 -8.342 -2.128 1.00 0.00 C ATOM 323 C ILE A 23 -3.592 -7.302 -2.457 1.00 0.00 C ATOM 324 O ILE A 23 -4.770 -7.635 -2.580 1.00 0.00 O ATOM 325 CB ILE A 23 -2.631 -8.774 -0.650 1.00 0.00 C ATOM 326 CG1 ILE A 23 -2.445 -10.287 -0.523 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.958 -8.347 -0.036 1.00 0.00 C ATOM 328 CD1 ILE A 23 -1.001 -10.706 -0.356 1.00 0.00 C ATOM 0 H ILE A 23 -0.691 -7.472 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.682 -9.215 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.838 -8.271 -0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.020 -10.645 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.855 -10.771 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.998 -8.670 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.048 -7.262 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.779 -8.804 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.944 -11.791 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.425 -10.378 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.592 -10.251 0.546 1.00 0.00 H new ATOM 340 N TYR A 24 -3.178 -6.044 -2.589 1.00 0.00 N ATOM 341 CA TYR A 24 -4.101 -4.962 -2.895 1.00 0.00 C ATOM 342 C TYR A 24 -3.776 -4.310 -4.238 1.00 0.00 C ATOM 343 O TYR A 24 -3.136 -3.260 -4.288 1.00 0.00 O ATOM 344 CB TYR A 24 -4.071 -3.915 -1.789 1.00 0.00 C ATOM 345 CG TYR A 24 -4.551 -4.424 -0.449 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.612 -5.317 -0.358 1.00 0.00 C ATOM 347 CD2 TYR A 24 -3.939 -4.012 0.727 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.049 -5.783 0.867 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.369 -4.474 1.956 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.424 -5.359 2.021 1.00 0.00 C ATOM 351 OH TYR A 24 -5.855 -5.823 3.243 1.00 0.00 O ATOM 0 H TYR A 24 -2.206 -5.752 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.102 -5.389 -2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.052 -3.544 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.689 -3.068 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.103 -5.652 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.113 -3.318 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.876 -6.476 0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.881 -4.144 2.861 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.308 -5.428 3.954 1.00 0.00 H new ATOM 361 N PRO A 25 -4.217 -4.925 -5.352 1.00 0.00 N ATOM 362 CA PRO A 25 -3.979 -4.412 -6.691 1.00 0.00 C ATOM 363 C PRO A 25 -5.093 -3.474 -7.158 1.00 0.00 C ATOM 364 O PRO A 25 -6.239 -3.896 -7.315 1.00 0.00 O ATOM 365 CB PRO A 25 -3.955 -5.680 -7.552 1.00 0.00 C ATOM 366 CG PRO A 25 -4.565 -6.771 -6.721 1.00 0.00 C ATOM 367 CD PRO A 25 -4.981 -6.169 -5.404 1.00 0.00 C ATOM 0 HA PRO A 25 -3.065 -3.821 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.518 -5.534 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.935 -5.935 -7.839 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.425 -7.204 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.848 -7.577 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.055 -5.985 -5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.741 -6.825 -4.567 1.00 0.00 H new ATOM 375 N PRO A 26 -4.776 -2.187 -7.389 1.00 0.00 N ATOM 376 CA PRO A 26 -5.764 -1.203 -7.840 1.00 0.00 C ATOM 377 C PRO A 26 -6.243 -1.473 -9.262 1.00 0.00 C ATOM 378 O PRO A 26 -7.317 -1.025 -9.663 1.00 0.00 O ATOM 379 CB PRO A 26 -5.023 0.135 -7.772 1.00 0.00 C ATOM 380 CG PRO A 26 -3.754 -0.134 -7.031 1.00 0.00 C ATOM 381 CD PRO A 26 -3.445 -1.588 -7.234 1.00 0.00 C ATOM 0 HA PRO A 26 -6.662 -1.230 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.817 0.518 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.622 0.887 -7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.944 0.491 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.867 0.095 -5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.824 -1.750 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.909 -2.010 -6.384 1.00 0.00 H new ATOM 389 N CYS A 27 -5.437 -2.207 -10.018 1.00 0.00 N ATOM 390 CA CYS A 27 -5.771 -2.539 -11.395 1.00 0.00 C ATOM 391 C CYS A 27 -6.812 -3.652 -11.454 1.00 0.00 C ATOM 392 O CYS A 27 -7.062 -4.336 -10.461 1.00 0.00 O ATOM 393 CB CYS A 27 -4.515 -2.952 -12.159 1.00 0.00 C ATOM 394 SG CYS A 27 -4.104 -1.867 -13.545 1.00 0.00 S ATOM 0 H CYS A 27 -4.545 -2.584 -9.699 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.196 -1.651 -11.863 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.673 -2.975 -11.467 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.648 -3.967 -12.533 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.926 -1.350 -13.357 1.00 0.00 H new ATOM 400 N GLY A 28 -7.414 -3.830 -12.625 1.00 0.00 N ATOM 401 CA GLY A 28 -8.419 -4.863 -12.794 1.00 0.00 C ATOM 402 C GLY A 28 -9.828 -4.346 -12.578 1.00 0.00 C ATOM 403 O GLY A 28 -10.743 -4.690 -13.327 1.00 0.00 O ATOM 0 H GLY A 28 -7.224 -3.277 -13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.339 -5.282 -13.797 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.222 -5.674 -12.093 1.00 0.00 H new ATOM 407 N ARG A 29 -10.003 -3.518 -11.554 1.00 0.00 N ATOM 408 CA ARG A 29 -11.308 -2.952 -11.245 1.00 0.00 C ATOM 409 C ARG A 29 -11.169 -1.693 -10.396 1.00 0.00 C ATOM 410 O ARG A 29 -10.316 -1.618 -9.512 1.00 0.00 O ATOM 411 CB ARG A 29 -12.176 -3.981 -10.518 1.00 0.00 C ATOM 412 CG ARG A 29 -11.630 -4.386 -9.159 1.00 0.00 C ATOM 413 CD ARG A 29 -12.616 -5.259 -8.400 1.00 0.00 C ATOM 414 NE ARG A 29 -12.299 -6.680 -8.526 1.00 0.00 N ATOM 415 CZ ARG A 29 -12.765 -7.619 -7.705 1.00 0.00 C ATOM 416 NH1 ARG A 29 -13.568 -7.293 -6.700 1.00 0.00 N ATOM 417 NH2 ARG A 29 -12.428 -8.888 -7.891 1.00 0.00 N ATOM 0 H ARG A 29 -9.256 -3.225 -10.924 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.790 -2.682 -12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.179 -3.573 -10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.271 -4.870 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.691 -4.924 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.408 -3.493 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.612 -4.979 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.624 -5.078 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.685 -6.969 -9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.831 -6.319 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.922 -8.017 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.812 -9.144 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.785 -9.608 -7.262 1.00 0.00 H new ATOM 431 N ARG A 30 -12.017 -0.706 -10.670 1.00 0.00 N ATOM 432 CA ARG A 30 -11.994 0.546 -9.934 1.00 0.00 C ATOM 433 C ARG A 30 -13.409 1.059 -9.687 1.00 0.00 C ATOM 434 O ARG A 30 -13.938 1.851 -10.466 1.00 0.00 O ATOM 435 CB ARG A 30 -11.180 1.596 -10.692 1.00 0.00 C ATOM 436 CG ARG A 30 -9.850 1.076 -11.213 1.00 0.00 C ATOM 437 CD ARG A 30 -9.973 0.564 -12.639 1.00 0.00 C ATOM 438 NE ARG A 30 -10.581 1.554 -13.525 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.124 1.259 -14.704 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.137 0.006 -15.142 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.656 2.220 -15.447 1.00 0.00 N ATOM 0 H ARG A 30 -12.729 -0.753 -11.399 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.522 0.361 -8.969 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.770 1.965 -11.531 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.996 2.445 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.106 1.872 -11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.493 0.274 -10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.985 0.299 -13.015 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.572 -0.346 -12.647 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.590 2.528 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.729 -0.737 -14.574 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.555 -0.214 -16.046 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.649 3.184 -15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.072 1.995 -16.351 1.00 0.00 H new ATOM 455 N LYS A 31 -14.016 0.603 -8.596 1.00 0.00 N ATOM 456 CA LYS A 31 -15.365 1.016 -8.244 1.00 0.00 C ATOM 457 C LYS A 31 -15.566 0.995 -6.733 1.00 0.00 C ATOM 458 O LYS A 31 -15.884 -0.043 -6.153 1.00 0.00 O ATOM 459 CB LYS A 31 -16.394 0.110 -8.923 1.00 0.00 C ATOM 460 CG LYS A 31 -16.138 -1.372 -8.704 1.00 0.00 C ATOM 461 CD LYS A 31 -17.126 -1.971 -7.716 1.00 0.00 C ATOM 462 CE LYS A 31 -18.241 -2.720 -8.427 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.472 -1.892 -8.558 1.00 0.00 N ATOM 0 H LYS A 31 -13.592 -0.054 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.507 2.038 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.387 0.358 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.396 0.315 -9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.210 -1.899 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.122 -1.516 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.602 -2.650 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.553 -1.179 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.901 -3.023 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.474 -3.632 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.208 -2.439 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.812 -1.624 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.257 -1.034 -9.105 1.00 0.00 H new ATOM 477 N ILE A 32 -15.378 2.149 -6.100 1.00 0.00 N ATOM 478 CA ILE A 32 -15.538 2.265 -4.660 1.00 0.00 C ATOM 479 C ILE A 32 -15.625 3.728 -4.231 1.00 0.00 C ATOM 480 O ILE A 32 -14.652 4.475 -4.333 1.00 0.00 O ATOM 481 CB ILE A 32 -14.376 1.581 -3.914 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.642 1.566 -2.407 1.00 0.00 C ATOM 483 CG2 ILE A 32 -13.057 2.276 -4.222 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.085 0.216 -1.885 1.00 0.00 C ATOM 0 H ILE A 32 -15.114 3.017 -6.566 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.470 1.763 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.305 0.550 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.736 1.870 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.408 2.306 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.249 1.778 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.863 2.230 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.113 3.318 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.255 0.279 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.009 -0.081 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.310 -0.524 -2.086 1.00 0.00 H new ATOM 496 N ILE A 33 -16.798 4.130 -3.752 1.00 0.00 N ATOM 497 CA ILE A 33 -17.012 5.499 -3.310 1.00 0.00 C ATOM 498 C ILE A 33 -18.330 5.638 -2.553 1.00 0.00 C ATOM 499 O ILE A 33 -19.334 5.026 -2.917 1.00 0.00 O ATOM 500 CB ILE A 33 -16.999 6.477 -4.501 1.00 0.00 C ATOM 501 CG1 ILE A 33 -16.968 7.924 -4.004 1.00 0.00 C ATOM 502 CG2 ILE A 33 -18.205 6.243 -5.402 1.00 0.00 C ATOM 503 CD1 ILE A 33 -15.589 8.546 -4.045 1.00 0.00 C ATOM 0 H ILE A 33 -17.614 3.525 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 33 -16.192 5.749 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 33 -16.098 6.295 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -17.647 8.523 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -17.343 7.957 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.177 6.944 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -18.181 5.222 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -19.121 6.395 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.641 9.571 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -14.911 7.970 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.220 8.545 -5.071 1.00 0.00 H new ATOM 515 N LEU A 34 -18.318 6.445 -1.497 1.00 0.00 N ATOM 516 CA LEU A 34 -19.511 6.665 -0.687 1.00 0.00 C ATOM 517 C LEU A 34 -20.622 7.318 -1.505 1.00 0.00 C ATOM 518 O LEU A 34 -21.800 7.222 -1.159 1.00 0.00 O ATOM 519 CB LEU A 34 -19.173 7.530 0.526 1.00 0.00 C ATOM 520 CG LEU A 34 -19.365 6.848 1.883 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.229 7.209 2.828 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.708 7.233 2.488 1.00 0.00 C ATOM 0 H LEU A 34 -17.495 6.958 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.869 5.694 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.136 7.855 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.791 8.427 0.497 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.354 5.769 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.383 6.715 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.282 6.882 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.207 8.289 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.828 6.739 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.748 8.313 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.511 6.922 1.819 1.00 0.00 H new ATOM 534 N SER A 35 -20.240 7.984 -2.589 1.00 0.00 N ATOM 535 CA SER A 35 -21.200 8.655 -3.455 1.00 0.00 C ATOM 536 C SER A 35 -22.226 7.672 -4.012 1.00 0.00 C ATOM 537 O SER A 35 -23.329 8.062 -4.396 1.00 0.00 O ATOM 538 CB SER A 35 -20.467 9.365 -4.597 1.00 0.00 C ATOM 539 OG SER A 35 -20.543 8.624 -5.804 1.00 0.00 O ATOM 0 H SER A 35 -19.269 8.073 -2.889 1.00 0.00 H new ATOM 0 HA SER A 35 -21.736 9.394 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 35 -20.899 10.354 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 35 -19.422 9.512 -4.324 1.00 0.00 H new ATOM 0 HG SER A 35 -20.067 9.105 -6.513 1.00 0.00 H new ATOM 545 N ASP A 36 -21.857 6.398 -4.053 1.00 0.00 N ATOM 546 CA ASP A 36 -22.739 5.362 -4.560 1.00 0.00 C ATOM 547 C ASP A 36 -22.924 4.249 -3.533 1.00 0.00 C ATOM 548 O ASP A 36 -23.978 4.140 -2.905 1.00 0.00 O ATOM 549 CB ASP A 36 -22.191 4.787 -5.869 1.00 0.00 C ATOM 550 CG ASP A 36 -23.221 4.797 -6.981 1.00 0.00 C ATOM 551 OD1 ASP A 36 -23.609 5.899 -7.422 1.00 0.00 O ATOM 552 OD2 ASP A 36 -23.641 3.702 -7.411 1.00 0.00 O ATOM 0 H ASP A 36 -20.948 6.059 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 36 -23.712 5.813 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.320 5.364 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.853 3.765 -5.700 1.00 0.00 H new ATOM 557 N GLU A 37 -21.894 3.426 -3.367 1.00 0.00 N ATOM 558 CA GLU A 37 -21.944 2.322 -2.415 1.00 0.00 C ATOM 559 C GLU A 37 -22.143 2.831 -0.990 1.00 0.00 C ATOM 560 O GLU A 37 -22.595 2.093 -0.115 1.00 0.00 O ATOM 561 CB GLU A 37 -20.668 1.489 -2.504 1.00 0.00 C ATOM 562 CG GLU A 37 -20.907 0.055 -2.938 1.00 0.00 C ATOM 563 CD GLU A 37 -20.204 -0.290 -4.236 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.755 0.025 -5.312 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.101 -0.874 -4.178 1.00 0.00 O ATOM 0 H GLU A 37 -21.015 3.502 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 37 -22.797 1.694 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.983 1.963 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.176 1.488 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.564 -0.619 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.978 -0.111 -3.055 1.00 0.00 H new ATOM 572 N GLY A 38 -21.801 4.094 -0.765 1.00 0.00 N ATOM 573 CA GLY A 38 -21.949 4.680 0.554 1.00 0.00 C ATOM 574 C GLY A 38 -21.091 3.992 1.600 1.00 0.00 C ATOM 575 O GLY A 38 -21.302 4.174 2.799 1.00 0.00 O ATOM 0 H GLY A 38 -21.423 4.724 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -21.684 5.736 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.995 4.627 0.856 1.00 0.00 H new ATOM 579 N LYS A 39 -20.114 3.214 1.148 1.00 0.00 N ATOM 580 CA LYS A 39 -19.216 2.517 2.043 1.00 0.00 C ATOM 581 C LYS A 39 -17.829 2.427 1.427 1.00 0.00 C ATOM 582 O LYS A 39 -17.511 1.476 0.712 1.00 0.00 O ATOM 583 CB LYS A 39 -19.748 1.116 2.354 1.00 0.00 C ATOM 584 CG LYS A 39 -19.005 0.421 3.483 1.00 0.00 C ATOM 585 CD LYS A 39 -19.453 -1.023 3.638 1.00 0.00 C ATOM 586 CE LYS A 39 -18.345 -1.892 4.212 1.00 0.00 C ATOM 587 NZ LYS A 39 -17.611 -2.632 3.148 1.00 0.00 N ATOM 0 H LYS A 39 -19.928 3.053 0.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -19.152 3.077 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -20.804 1.187 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.682 0.503 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.933 0.452 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -19.174 0.958 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -20.325 -1.066 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.760 -1.416 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.646 -1.268 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.771 -2.603 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.864 -3.212 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.273 -3.247 2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.182 -1.954 2.486 1.00 0.00 H new ATOM 601 N MET A 40 -17.009 3.420 1.719 1.00 0.00 N ATOM 602 CA MET A 40 -15.650 3.468 1.212 1.00 0.00 C ATOM 603 C MET A 40 -14.733 4.177 2.201 1.00 0.00 C ATOM 604 O MET A 40 -14.508 5.383 2.104 1.00 0.00 O ATOM 605 CB MET A 40 -15.609 4.176 -0.143 1.00 0.00 C ATOM 606 CG MET A 40 -14.250 4.114 -0.821 1.00 0.00 C ATOM 607 SD MET A 40 -13.263 5.596 -0.535 1.00 0.00 S ATOM 608 CE MET A 40 -13.788 6.622 -1.906 1.00 0.00 C ATOM 0 H MET A 40 -17.264 4.211 2.310 1.00 0.00 H new ATOM 0 HA MET A 40 -15.298 2.444 1.083 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.354 3.728 -0.800 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.890 5.220 -0.007 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.705 3.243 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.389 3.976 -1.893 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.071 7.430 -2.051 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.842 6.019 -2.812 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.770 7.042 -1.691 1.00 0.00 H new ATOM 618 N TYR A 41 -14.208 3.417 3.152 1.00 0.00 N ATOM 619 CA TYR A 41 -13.314 3.961 4.162 1.00 0.00 C ATOM 620 C TYR A 41 -11.938 4.255 3.573 1.00 0.00 C ATOM 621 O TYR A 41 -11.683 3.980 2.401 1.00 0.00 O ATOM 622 CB TYR A 41 -13.188 2.993 5.336 1.00 0.00 C ATOM 623 CG TYR A 41 -13.690 3.559 6.645 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.051 3.673 6.899 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.802 3.979 7.628 1.00 0.00 C ATOM 626 CE1 TYR A 41 -15.513 4.190 8.095 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.256 4.496 8.826 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.611 4.600 9.054 1.00 0.00 C ATOM 629 OH TYR A 41 -15.067 5.115 10.246 1.00 0.00 O ATOM 0 H TYR A 41 -14.388 2.417 3.244 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.739 4.898 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.743 2.083 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.142 2.708 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.760 3.352 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.739 3.900 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.574 4.272 8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.553 4.817 9.580 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.304 5.355 10.812 1.00 0.00 H new ATOM 639 N GLY A 42 -11.054 4.812 4.394 1.00 0.00 N ATOM 640 CA GLY A 42 -9.715 5.131 3.934 1.00 0.00 C ATOM 641 C GLY A 42 -8.962 3.906 3.455 1.00 0.00 C ATOM 642 O GLY A 42 -8.652 3.012 4.242 1.00 0.00 O ATOM 0 H GLY A 42 -11.240 5.048 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.776 5.857 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.158 5.603 4.744 1.00 0.00 H new ATOM 646 N ARG A 43 -8.669 3.862 2.159 1.00 0.00 N ATOM 647 CA ARG A 43 -7.949 2.736 1.576 1.00 0.00 C ATOM 648 C ARG A 43 -6.593 2.543 2.245 1.00 0.00 C ATOM 649 O ARG A 43 -6.057 1.436 2.280 1.00 0.00 O ATOM 650 CB ARG A 43 -7.770 2.941 0.073 1.00 0.00 C ATOM 651 CG ARG A 43 -8.449 1.875 -0.772 1.00 0.00 C ATOM 652 CD ARG A 43 -7.630 1.539 -2.008 1.00 0.00 C ATOM 653 NE ARG A 43 -8.309 0.573 -2.869 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.289 0.891 -3.711 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.710 2.146 -3.807 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.851 -0.049 -4.458 1.00 0.00 N ATOM 0 H ARG A 43 -8.919 4.593 1.493 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.541 1.836 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.167 3.918 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.705 2.953 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.595 0.975 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.438 2.222 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.433 2.451 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.663 1.137 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.014 -0.402 -2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.282 2.873 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.462 2.384 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.532 -1.015 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.602 0.194 -5.104 1.00 0.00 H new ATOM 670 N ASN A 44 -6.046 3.628 2.775 1.00 0.00 N ATOM 671 CA ASN A 44 -4.754 3.583 3.445 1.00 0.00 C ATOM 672 C ASN A 44 -4.852 2.840 4.772 1.00 0.00 C ATOM 673 O ASN A 44 -3.872 2.270 5.252 1.00 0.00 O ATOM 674 CB ASN A 44 -4.222 4.997 3.668 1.00 0.00 C ATOM 675 CG ASN A 44 -2.941 5.261 2.901 1.00 0.00 C ATOM 676 OD1 ASN A 44 -2.160 4.347 2.639 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.719 6.519 2.538 1.00 0.00 N ATOM 0 H ASN A 44 -6.478 4.552 2.754 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.059 3.042 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.980 5.719 3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.043 5.151 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.873 6.759 2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.394 7.245 2.777 1.00 0.00 H new ATOM 684 N GLU A 45 -6.042 2.847 5.357 1.00 0.00 N ATOM 685 CA GLU A 45 -6.275 2.172 6.624 1.00 0.00 C ATOM 686 C GLU A 45 -6.300 0.660 6.435 1.00 0.00 C ATOM 687 O GLU A 45 -6.016 -0.099 7.362 1.00 0.00 O ATOM 688 CB GLU A 45 -7.589 2.644 7.247 1.00 0.00 C ATOM 689 CG GLU A 45 -7.630 4.138 7.523 1.00 0.00 C ATOM 690 CD GLU A 45 -8.576 4.497 8.651 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.804 4.483 8.424 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.090 4.792 9.763 1.00 0.00 O ATOM 0 H GLU A 45 -6.863 3.315 4.972 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.455 2.423 7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.411 2.383 6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.753 2.106 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.627 4.486 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.935 4.663 6.617 1.00 0.00 H new ATOM 699 N LEU A 46 -6.642 0.231 5.226 1.00 0.00 N ATOM 700 CA LEU A 46 -6.708 -1.187 4.906 1.00 0.00 C ATOM 701 C LEU A 46 -5.316 -1.786 4.785 1.00 0.00 C ATOM 702 O LEU A 46 -5.082 -2.931 5.171 1.00 0.00 O ATOM 703 CB LEU A 46 -7.486 -1.404 3.611 1.00 0.00 C ATOM 704 CG LEU A 46 -8.554 -2.496 3.667 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.306 -2.572 2.347 1.00 0.00 C ATOM 706 CD2 LEU A 46 -7.923 -3.840 3.999 1.00 0.00 C ATOM 0 H LEU A 46 -6.878 0.849 4.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.227 -1.691 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.964 -0.465 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.779 -1.650 2.818 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.264 -2.245 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.063 -3.354 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.788 -1.615 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.607 -2.801 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.697 -4.606 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.192 -4.098 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.427 -3.780 4.968 1.00 0.00 H new ATOM 718 N ILE A 47 -4.396 -1.001 4.251 1.00 0.00 N ATOM 719 CA ILE A 47 -3.021 -1.451 4.083 1.00 0.00 C ATOM 720 C ILE A 47 -2.284 -1.401 5.408 1.00 0.00 C ATOM 721 O ILE A 47 -1.460 -2.264 5.708 1.00 0.00 O ATOM 722 CB ILE A 47 -2.239 -0.629 3.024 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.046 0.584 2.547 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.867 -1.513 1.843 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.343 1.406 1.489 1.00 0.00 C ATOM 0 H ILE A 47 -4.574 -0.051 3.926 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.075 -2.478 3.722 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.328 -0.259 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.002 0.240 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.266 1.222 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.319 -0.925 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.242 -2.337 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.773 -1.911 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.975 2.246 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.400 1.781 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.147 0.784 0.616 1.00 0.00 H new ATOM 737 N ALA A 48 -2.602 -0.396 6.203 1.00 0.00 N ATOM 738 CA ALA A 48 -1.988 -0.240 7.507 1.00 0.00 C ATOM 739 C ALA A 48 -2.570 -1.242 8.489 1.00 0.00 C ATOM 740 O ALA A 48 -1.903 -1.665 9.432 1.00 0.00 O ATOM 741 CB ALA A 48 -2.164 1.183 8.017 1.00 0.00 C ATOM 0 H ALA A 48 -3.283 0.325 5.967 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.920 -0.434 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.696 1.279 8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.695 1.879 7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.227 1.411 8.098 1.00 0.00 H new ATOM 747 N ARG A 49 -3.815 -1.634 8.248 1.00 0.00 N ATOM 748 CA ARG A 49 -4.478 -2.605 9.099 1.00 0.00 C ATOM 749 C ARG A 49 -3.836 -3.973 8.924 1.00 0.00 C ATOM 750 O ARG A 49 -3.830 -4.793 9.841 1.00 0.00 O ATOM 751 CB ARG A 49 -5.973 -2.674 8.778 1.00 0.00 C ATOM 752 CG ARG A 49 -6.831 -1.816 9.694 1.00 0.00 C ATOM 753 CD ARG A 49 -8.271 -2.304 9.734 1.00 0.00 C ATOM 754 NE ARG A 49 -8.786 -2.612 8.400 1.00 0.00 N ATOM 755 CZ ARG A 49 -8.782 -3.830 7.860 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.282 -4.864 8.526 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.279 -4.014 6.644 1.00 0.00 N ATOM 0 H ARG A 49 -4.382 -1.293 7.471 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.366 -2.291 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.130 -2.359 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.304 -3.710 8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.414 -1.829 10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.807 -0.781 9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.334 -3.194 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.898 -1.543 10.197 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.173 -1.846 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.896 -4.730 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.284 -5.792 8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.663 -3.224 6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.277 -4.945 6.228 1.00 0.00 H new ATOM 771 N TYR A 50 -3.285 -4.204 7.738 1.00 0.00 N ATOM 772 CA TYR A 50 -2.626 -5.463 7.435 1.00 0.00 C ATOM 773 C TYR A 50 -1.348 -5.610 8.236 1.00 0.00 C ATOM 774 O TYR A 50 -1.156 -6.589 8.957 1.00 0.00 O ATOM 775 CB TYR A 50 -2.309 -5.553 5.952 1.00 0.00 C ATOM 776 CG TYR A 50 -2.088 -6.965 5.464 1.00 0.00 C ATOM 777 CD1 TYR A 50 -3.160 -7.793 5.156 1.00 0.00 C ATOM 778 CD2 TYR A 50 -0.804 -7.471 5.314 1.00 0.00 C ATOM 779 CE1 TYR A 50 -2.958 -9.086 4.712 1.00 0.00 C ATOM 780 CE2 TYR A 50 -0.593 -8.762 4.870 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.672 -9.566 4.571 1.00 0.00 C ATOM 782 OH TYR A 50 -1.466 -10.852 4.129 1.00 0.00 O ATOM 0 H TYR A 50 -3.283 -3.532 6.971 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.306 -6.270 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.127 -5.106 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.417 -4.962 5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.168 -7.420 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.044 -6.845 5.548 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.802 -9.717 4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.413 -9.140 4.758 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.513 -10.985 3.941 1.00 0.00 H new ATOM 792 N ILE A 51 -0.480 -4.626 8.101 1.00 0.00 N ATOM 793 CA ILE A 51 0.792 -4.637 8.815 1.00 0.00 C ATOM 794 C ILE A 51 0.566 -4.496 10.315 1.00 0.00 C ATOM 795 O ILE A 51 1.409 -4.892 11.120 1.00 0.00 O ATOM 796 CB ILE A 51 1.779 -3.533 8.342 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.184 -2.663 7.226 1.00 0.00 C ATOM 798 CG2 ILE A 51 3.078 -4.168 7.873 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.070 -3.374 5.892 1.00 0.00 C ATOM 0 H ILE A 51 -0.627 -3.810 7.507 1.00 0.00 H new ATOM 0 HA ILE A 51 1.250 -5.600 8.588 1.00 0.00 H new ATOM 0 HB ILE A 51 1.974 -2.880 9.193 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.195 -2.323 7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.803 -1.774 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.765 -3.389 7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.528 -4.725 8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.873 -4.846 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.641 -2.696 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.060 -3.690 5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.427 -4.247 5.999 1.00 0.00 H new ATOM 811 N LYS A 52 -0.580 -3.936 10.685 1.00 0.00 N ATOM 812 CA LYS A 52 -0.921 -3.752 12.085 1.00 0.00 C ATOM 813 C LYS A 52 -1.532 -5.023 12.668 1.00 0.00 C ATOM 814 O LYS A 52 -1.523 -5.226 13.882 1.00 0.00 O ATOM 815 CB LYS A 52 -1.891 -2.581 12.248 1.00 0.00 C ATOM 816 CG LYS A 52 -2.036 -2.107 13.684 1.00 0.00 C ATOM 817 CD LYS A 52 -0.786 -1.387 14.163 1.00 0.00 C ATOM 818 CE LYS A 52 -1.128 -0.241 15.101 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.223 -0.692 16.517 1.00 0.00 N ATOM 0 H LYS A 52 -1.288 -3.602 10.031 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.004 -3.530 12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.550 -1.749 11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.870 -2.876 11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.894 -1.440 13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.236 -2.961 14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.131 -2.093 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.234 -1.004 13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.368 0.536 15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.075 0.206 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.458 0.119 17.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.966 -1.415 16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.312 -1.095 16.815 1.00 0.00 H new ATOM 833 N LEU A 53 -2.069 -5.872 11.796 1.00 0.00 N ATOM 834 CA LEU A 53 -2.690 -7.114 12.225 1.00 0.00 C ATOM 835 C LEU A 53 -1.673 -8.250 12.310 1.00 0.00 C ATOM 836 O LEU A 53 -1.897 -9.242 13.004 1.00 0.00 O ATOM 837 CB LEU A 53 -3.822 -7.500 11.268 1.00 0.00 C ATOM 838 CG LEU A 53 -5.235 -7.242 11.800 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.912 -6.132 11.010 1.00 0.00 C ATOM 840 CD2 LEU A 53 -6.066 -8.516 11.748 1.00 0.00 C ATOM 0 H LEU A 53 -2.085 -5.719 10.788 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.099 -6.951 13.222 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.694 -6.948 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.728 -8.559 11.027 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.156 -6.924 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.914 -5.964 11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.329 -5.215 11.098 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.978 -6.420 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.067 -8.314 12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.134 -8.864 10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.593 -9.284 12.360 1.00 0.00 H new ATOM 852 N ARG A 54 -0.562 -8.108 11.595 1.00 0.00 N ATOM 853 CA ARG A 54 0.471 -9.131 11.589 1.00 0.00 C ATOM 854 C ARG A 54 1.717 -8.682 12.338 1.00 0.00 C ATOM 855 O ARG A 54 2.141 -9.317 13.304 1.00 0.00 O ATOM 856 CB ARG A 54 0.834 -9.508 10.151 1.00 0.00 C ATOM 857 CG ARG A 54 1.033 -11.001 9.945 1.00 0.00 C ATOM 858 CD ARG A 54 2.333 -11.481 10.570 1.00 0.00 C ATOM 859 NE ARG A 54 3.401 -11.610 9.581 1.00 0.00 N ATOM 860 CZ ARG A 54 4.505 -12.330 9.771 1.00 0.00 C ATOM 861 NH1 ARG A 54 4.690 -12.985 10.911 1.00 0.00 N ATOM 862 NH2 ARG A 54 5.426 -12.394 8.820 1.00 0.00 N ATOM 0 H ARG A 54 -0.356 -7.295 11.014 1.00 0.00 H new ATOM 0 HA ARG A 54 0.070 -10.004 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.046 -9.159 9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.747 -8.986 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.195 -11.545 10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.036 -11.225 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.641 -10.782 11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.169 -12.444 11.054 1.00 0.00 H new ATOM 0 HE ARG A 54 3.295 -11.120 8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.985 -12.938 11.646 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.537 -13.535 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.289 -11.892 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.272 -12.945 8.965 1.00 0.00 H new ATOM 876 N THR A 55 2.302 -7.594 11.875 1.00 0.00 N ATOM 877 CA THR A 55 3.511 -7.055 12.480 1.00 0.00 C ATOM 878 C THR A 55 3.189 -6.116 13.636 1.00 0.00 C ATOM 879 O THR A 55 3.978 -5.969 14.569 1.00 0.00 O ATOM 880 CB THR A 55 4.352 -6.325 11.430 1.00 0.00 C ATOM 881 OG1 THR A 55 3.570 -6.005 10.293 1.00 0.00 O ATOM 882 CG2 THR A 55 5.546 -7.126 10.956 1.00 0.00 C ATOM 0 H THR A 55 1.959 -7.061 11.076 1.00 0.00 H new ATOM 0 HA THR A 55 4.082 -7.894 12.878 1.00 0.00 H new ATOM 0 HB THR A 55 4.713 -5.424 11.926 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.853 -5.389 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.098 -6.551 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.197 -7.345 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.204 -8.060 10.510 1.00 0.00 H new ATOM 890 N GLY A 56 2.030 -5.477 13.564 1.00 0.00 N ATOM 891 CA GLY A 56 1.628 -4.553 14.608 1.00 0.00 C ATOM 892 C GLY A 56 2.591 -3.389 14.757 1.00 0.00 C ATOM 893 O GLY A 56 2.578 -2.690 15.770 1.00 0.00 O ATOM 0 H GLY A 56 1.360 -5.581 12.802 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.632 -4.170 14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.560 -5.088 15.555 1.00 0.00 H new ATOM 897 N LYS A 57 3.430 -3.183 13.746 1.00 0.00 N ATOM 898 CA LYS A 57 4.404 -2.106 13.761 1.00 0.00 C ATOM 899 C LYS A 57 3.902 -0.908 12.961 1.00 0.00 C ATOM 900 O LYS A 57 2.743 -0.869 12.548 1.00 0.00 O ATOM 901 CB LYS A 57 5.741 -2.590 13.204 1.00 0.00 C ATOM 902 CG LYS A 57 6.876 -2.535 14.214 1.00 0.00 C ATOM 903 CD LYS A 57 8.018 -3.456 13.818 1.00 0.00 C ATOM 904 CE LYS A 57 9.367 -2.865 14.194 1.00 0.00 C ATOM 905 NZ LYS A 57 10.446 -3.307 13.268 1.00 0.00 N ATOM 0 H LYS A 57 3.451 -3.755 12.902 1.00 0.00 H new ATOM 0 HA LYS A 57 4.547 -1.792 14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.629 -3.615 12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.006 -1.983 12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.243 -1.512 14.295 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.503 -2.818 15.198 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.894 -4.422 14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.985 -3.636 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.302 -1.777 14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.620 -3.159 15.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.349 -2.882 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.526 -4.344 13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.218 -3.005 12.299 1.00 0.00 H new ATOM 919 N THR A 58 4.781 0.068 12.743 1.00 0.00 N ATOM 920 CA THR A 58 4.423 1.267 11.989 1.00 0.00 C ATOM 921 C THR A 58 3.698 0.899 10.696 1.00 0.00 C ATOM 922 O THR A 58 3.717 -0.256 10.272 1.00 0.00 O ATOM 923 CB THR A 58 5.674 2.091 11.674 1.00 0.00 C ATOM 924 OG1 THR A 58 5.319 3.358 11.147 1.00 0.00 O ATOM 925 CG2 THR A 58 6.601 1.425 10.678 1.00 0.00 C ATOM 0 H THR A 58 5.745 0.052 13.077 1.00 0.00 H new ATOM 0 HA THR A 58 3.750 1.866 12.603 1.00 0.00 H new ATOM 0 HB THR A 58 6.200 2.188 12.624 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.131 3.871 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.466 2.065 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.934 0.466 11.075 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.071 1.264 9.739 1.00 0.00 H new ATOM 933 N ARG A 59 3.067 1.886 10.070 1.00 0.00 N ATOM 934 CA ARG A 59 2.351 1.662 8.830 1.00 0.00 C ATOM 935 C ARG A 59 2.241 2.955 8.038 1.00 0.00 C ATOM 936 O ARG A 59 1.151 3.499 7.856 1.00 0.00 O ATOM 937 CB ARG A 59 0.957 1.088 9.106 1.00 0.00 C ATOM 938 CG ARG A 59 0.313 1.617 10.379 1.00 0.00 C ATOM 939 CD ARG A 59 -0.153 3.055 10.213 1.00 0.00 C ATOM 940 NE ARG A 59 -1.034 3.473 11.300 1.00 0.00 N ATOM 941 CZ ARG A 59 -0.610 3.769 12.527 1.00 0.00 C ATOM 942 NH1 ARG A 59 0.681 3.693 12.827 1.00 0.00 N ATOM 943 NH2 ARG A 59 -1.479 4.141 13.457 1.00 0.00 N ATOM 0 H ARG A 59 3.040 2.849 10.405 1.00 0.00 H new ATOM 0 HA ARG A 59 2.911 0.938 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.308 1.315 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.028 0.002 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.535 0.987 10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.027 1.557 11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.714 3.715 10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.676 3.159 9.262 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.033 3.542 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.354 3.407 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.000 3.921 13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.472 4.200 13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.154 4.368 14.397 1.00 0.00 H new ATOM 957 N THR A 60 3.380 3.437 7.562 1.00 0.00 N ATOM 958 CA THR A 60 3.428 4.668 6.775 1.00 0.00 C ATOM 959 C THR A 60 2.337 4.669 5.706 1.00 0.00 C ATOM 960 O THR A 60 1.878 3.610 5.279 1.00 0.00 O ATOM 961 CB THR A 60 4.801 4.827 6.121 1.00 0.00 C ATOM 962 OG1 THR A 60 4.795 5.901 5.197 1.00 0.00 O ATOM 963 CG2 THR A 60 5.259 3.588 5.381 1.00 0.00 C ATOM 0 H THR A 60 4.288 2.995 7.706 1.00 0.00 H new ATOM 0 HA THR A 60 3.256 5.509 7.447 1.00 0.00 H new ATOM 0 HB THR A 60 5.492 5.016 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.715 6.196 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.240 3.769 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.322 2.751 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.545 3.351 4.592 1.00 0.00 H new ATOM 971 N ARG A 61 1.919 5.857 5.283 1.00 0.00 N ATOM 972 CA ARG A 61 0.879 5.980 4.276 1.00 0.00 C ATOM 973 C ARG A 61 1.438 6.503 2.961 1.00 0.00 C ATOM 974 O ARG A 61 0.948 6.163 1.884 1.00 0.00 O ATOM 975 CB ARG A 61 -0.238 6.900 4.773 1.00 0.00 C ATOM 976 CG ARG A 61 -0.981 6.356 5.983 1.00 0.00 C ATOM 977 CD ARG A 61 -1.356 7.465 6.952 1.00 0.00 C ATOM 978 NE ARG A 61 -0.198 8.265 7.344 1.00 0.00 N ATOM 979 CZ ARG A 61 -0.284 9.444 7.956 1.00 0.00 C ATOM 980 NH1 ARG A 61 -1.470 9.963 8.247 1.00 0.00 N ATOM 981 NH2 ARG A 61 0.819 10.106 8.277 1.00 0.00 N ATOM 0 H ARG A 61 2.286 6.746 5.623 1.00 0.00 H new ATOM 0 HA ARG A 61 0.471 4.985 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.188 7.871 5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.949 7.064 3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.882 5.838 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.359 5.621 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.104 8.111 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.814 7.030 7.841 1.00 0.00 H new ATOM 0 HE ARG A 61 0.731 7.899 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.322 9.458 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.530 10.867 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.733 9.712 8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.753 11.009 8.746 1.00 0.00 H new ATOM 995 N LYS A 62 2.463 7.333 3.058 1.00 0.00 N ATOM 996 CA LYS A 62 3.091 7.910 1.881 1.00 0.00 C ATOM 997 C LYS A 62 3.958 6.887 1.161 1.00 0.00 C ATOM 998 O LYS A 62 4.112 6.935 -0.059 1.00 0.00 O ATOM 999 CB LYS A 62 3.923 9.130 2.268 1.00 0.00 C ATOM 1000 CG LYS A 62 3.518 10.401 1.539 1.00 0.00 C ATOM 1001 CD LYS A 62 2.385 11.117 2.255 1.00 0.00 C ATOM 1002 CE LYS A 62 2.911 12.158 3.229 1.00 0.00 C ATOM 1003 NZ LYS A 62 3.056 11.609 4.605 1.00 0.00 N ATOM 0 H LYS A 62 2.879 7.623 3.943 1.00 0.00 H new ATOM 0 HA LYS A 62 2.301 8.222 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.834 9.294 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.973 8.923 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.378 11.066 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.210 10.156 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.737 11.598 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.776 10.390 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.877 12.525 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.234 13.012 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.539 12.212 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.668 10.644 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.063 11.586 4.865 1.00 0.00 H new ATOM 1017 N GLN A 63 4.517 5.961 1.924 1.00 0.00 N ATOM 1018 CA GLN A 63 5.364 4.924 1.362 1.00 0.00 C ATOM 1019 C GLN A 63 4.525 3.817 0.743 1.00 0.00 C ATOM 1020 O GLN A 63 4.939 3.173 -0.221 1.00 0.00 O ATOM 1021 CB GLN A 63 6.294 4.353 2.431 1.00 0.00 C ATOM 1022 CG GLN A 63 7.768 4.562 2.128 1.00 0.00 C ATOM 1023 CD GLN A 63 8.629 4.535 3.376 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.159 4.830 4.475 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.898 4.180 3.212 1.00 0.00 N ATOM 0 H GLN A 63 4.398 5.907 2.936 1.00 0.00 H new ATOM 0 HA GLN A 63 5.972 5.372 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.059 4.816 3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.101 3.285 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.107 3.787 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.899 5.518 1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.245 3.943 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.525 4.144 4.015 1.00 0.00 H new ATOM 1034 N VAL A 64 3.341 3.607 1.299 1.00 0.00 N ATOM 1035 CA VAL A 64 2.438 2.585 0.799 1.00 0.00 C ATOM 1036 C VAL A 64 1.654 3.091 -0.403 1.00 0.00 C ATOM 1037 O VAL A 64 1.123 2.302 -1.182 1.00 0.00 O ATOM 1038 CB VAL A 64 1.449 2.110 1.880 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.729 0.849 1.424 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.169 1.873 3.198 1.00 0.00 C ATOM 0 H VAL A 64 2.984 4.132 2.097 1.00 0.00 H new ATOM 0 HA VAL A 64 3.060 1.740 0.502 1.00 0.00 H new ATOM 0 HB VAL A 64 0.706 2.892 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.034 0.526 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.179 1.056 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.458 0.060 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.453 1.538 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.936 1.110 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.635 2.801 3.530 1.00 0.00 H new ATOM 1050 N SER A 65 1.594 4.410 -0.560 1.00 0.00 N ATOM 1051 CA SER A 65 0.887 5.008 -1.677 1.00 0.00 C ATOM 1052 C SER A 65 1.808 5.099 -2.879 1.00 0.00 C ATOM 1053 O SER A 65 1.372 5.003 -4.026 1.00 0.00 O ATOM 1054 CB SER A 65 0.360 6.394 -1.304 1.00 0.00 C ATOM 1055 OG SER A 65 -0.963 6.319 -0.800 1.00 0.00 O ATOM 0 H SER A 65 2.028 5.081 0.074 1.00 0.00 H new ATOM 0 HA SER A 65 0.034 4.378 -1.929 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.012 6.845 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.383 7.043 -2.180 1.00 0.00 H new ATOM 0 HG SER A 65 -1.276 7.218 -0.567 1.00 0.00 H new ATOM 1061 N SER A 66 3.089 5.270 -2.597 1.00 0.00 N ATOM 1062 CA SER A 66 4.098 5.359 -3.632 1.00 0.00 C ATOM 1063 C SER A 66 4.354 3.990 -4.240 1.00 0.00 C ATOM 1064 O SER A 66 4.652 3.866 -5.428 1.00 0.00 O ATOM 1065 CB SER A 66 5.385 5.923 -3.049 1.00 0.00 C ATOM 1066 OG SER A 66 5.931 6.930 -3.883 1.00 0.00 O ATOM 0 H SER A 66 3.455 5.350 -1.648 1.00 0.00 H new ATOM 0 HA SER A 66 3.740 6.025 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.188 6.335 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.111 5.120 -2.922 1.00 0.00 H new ATOM 0 HG SER A 66 6.756 7.275 -3.482 1.00 0.00 H new ATOM 1072 N HIS A 67 4.233 2.967 -3.408 1.00 0.00 N ATOM 1073 CA HIS A 67 4.448 1.596 -3.844 1.00 0.00 C ATOM 1074 C HIS A 67 3.334 1.135 -4.773 1.00 0.00 C ATOM 1075 O HIS A 67 3.562 0.342 -5.687 1.00 0.00 O ATOM 1076 CB HIS A 67 4.550 0.661 -2.638 1.00 0.00 C ATOM 1077 CG HIS A 67 5.258 -0.624 -2.939 1.00 0.00 C ATOM 1078 ND1 HIS A 67 4.992 -1.589 -3.850 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.386 -1.038 -2.263 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 5.955 -2.557 -3.710 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 6.784 -2.201 -2.747 1.00 0.00 N flip ATOM 0 H HIS A 67 3.986 3.061 -2.423 1.00 0.00 H new ATOM 0 HA HIS A 67 5.387 1.563 -4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.074 1.175 -1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.547 0.438 -2.275 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.220 -1.596 -4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.869 -0.496 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.023 -3.463 -4.293 1.00 0.00 H new ATOM 1090 N ILE A 68 2.130 1.637 -4.537 1.00 0.00 N ATOM 1091 CA ILE A 68 0.984 1.277 -5.359 1.00 0.00 C ATOM 1092 C ILE A 68 1.071 1.939 -6.725 1.00 0.00 C ATOM 1093 O ILE A 68 0.635 1.378 -7.731 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.350 1.661 -4.687 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.423 1.075 -3.277 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.529 1.181 -5.522 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.293 1.877 -2.336 1.00 0.00 C ATOM 0 H ILE A 68 1.922 2.293 -3.785 1.00 0.00 H new ATOM 0 HA ILE A 68 1.008 0.194 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.399 2.748 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.806 0.056 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.584 1.014 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.461 1.462 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.487 1.640 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.485 0.097 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.299 1.404 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.898 2.889 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.310 1.917 -2.726 1.00 0.00 H new ATOM 1109 N GLN A 69 1.648 3.130 -6.753 1.00 0.00 N ATOM 1110 CA GLN A 69 1.809 3.869 -7.995 1.00 0.00 C ATOM 1111 C GLN A 69 2.878 3.219 -8.865 1.00 0.00 C ATOM 1112 O GLN A 69 2.859 3.340 -10.090 1.00 0.00 O ATOM 1113 CB GLN A 69 2.174 5.326 -7.708 1.00 0.00 C ATOM 1114 CG GLN A 69 1.092 6.086 -6.957 1.00 0.00 C ATOM 1115 CD GLN A 69 0.870 7.481 -7.507 1.00 0.00 C ATOM 1116 OE1 GLN A 69 1.116 7.743 -8.684 1.00 0.00 O ATOM 1117 NE2 GLN A 69 0.403 8.386 -6.654 1.00 0.00 N ATOM 0 H GLN A 69 2.013 3.606 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 69 0.861 3.848 -8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.096 5.354 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.376 5.834 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.158 5.526 -7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.365 6.154 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.213 8.125 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.234 9.342 -6.967 1.00 0.00 H new ATOM 1126 N VAL A 70 3.804 2.521 -8.218 1.00 0.00 N ATOM 1127 CA VAL A 70 4.878 1.839 -8.918 1.00 0.00 C ATOM 1128 C VAL A 70 4.354 0.622 -9.667 1.00 0.00 C ATOM 1129 O VAL A 70 4.902 0.226 -10.695 1.00 0.00 O ATOM 1130 CB VAL A 70 5.984 1.400 -7.953 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.166 0.817 -8.713 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.422 2.561 -7.071 1.00 0.00 C ATOM 0 H VAL A 70 3.829 2.414 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 70 5.295 2.549 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 70 5.582 0.619 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.938 0.513 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.838 -0.049 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.570 1.569 -9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.208 2.227 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.801 3.370 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.571 2.919 -6.491 1.00 0.00 H new ATOM 1142 N LEU A 71 3.285 0.037 -9.143 1.00 0.00 N ATOM 1143 CA LEU A 71 2.677 -1.133 -9.757 1.00 0.00 C ATOM 1144 C LEU A 71 1.989 -0.763 -11.064 1.00 0.00 C ATOM 1145 O LEU A 71 1.889 -1.579 -11.980 1.00 0.00 O ATOM 1146 CB LEU A 71 1.678 -1.780 -8.798 1.00 0.00 C ATOM 1147 CG LEU A 71 2.016 -3.212 -8.381 1.00 0.00 C ATOM 1148 CD1 LEU A 71 2.938 -3.213 -7.172 1.00 0.00 C ATOM 1149 CD2 LEU A 71 0.744 -3.993 -8.085 1.00 0.00 C ATOM 0 H LEU A 71 2.821 0.355 -8.292 1.00 0.00 H new ATOM 0 HA LEU A 71 3.467 -1.851 -9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.607 -1.164 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.694 -1.777 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 71 2.535 -3.699 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.167 -4.241 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.862 -2.690 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.447 -2.709 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.002 -5.010 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.199 -3.507 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.119 -4.022 -8.977 1.00 0.00 H new ATOM 1161 N ALA A 72 1.519 0.475 -11.142 1.00 0.00 N ATOM 1162 CA ALA A 72 0.843 0.961 -12.335 1.00 0.00 C ATOM 1163 C ALA A 72 1.826 1.148 -13.481 1.00 0.00 C ATOM 1164 O ALA A 72 1.467 1.012 -14.651 1.00 0.00 O ATOM 1165 CB ALA A 72 0.114 2.263 -12.039 1.00 0.00 C ATOM 0 H ALA A 72 1.594 1.161 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 72 0.110 0.213 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.386 2.613 -12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.625 2.096 -11.256 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.831 3.014 -11.707 1.00 0.00 H new ATOM 1171 N ARG A 73 3.067 1.456 -13.135 1.00 0.00 N ATOM 1172 CA ARG A 73 4.110 1.658 -14.130 1.00 0.00 C ATOM 1173 C ARG A 73 4.508 0.335 -14.770 1.00 0.00 C ATOM 1174 O ARG A 73 4.938 0.293 -15.923 1.00 0.00 O ATOM 1175 CB ARG A 73 5.332 2.324 -13.496 1.00 0.00 C ATOM 1176 CG ARG A 73 5.285 3.843 -13.532 1.00 0.00 C ATOM 1177 CD ARG A 73 5.821 4.386 -14.847 1.00 0.00 C ATOM 1178 NE ARG A 73 4.753 4.636 -15.812 1.00 0.00 N ATOM 1179 CZ ARG A 73 4.958 4.816 -17.114 1.00 0.00 C ATOM 1180 NH1 ARG A 73 6.188 4.774 -17.612 1.00 0.00 N ATOM 1181 NH2 ARG A 73 3.931 5.039 -17.923 1.00 0.00 N ATOM 0 H ARG A 73 3.377 1.572 -12.170 1.00 0.00 H new ATOM 0 HA ARG A 73 3.716 2.314 -14.907 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.417 1.996 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.230 1.984 -14.013 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.258 4.180 -13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.870 4.246 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.366 5.312 -14.662 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.532 3.676 -15.269 1.00 0.00 H new ATOM 0 HE ARG A 73 3.794 4.675 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.982 4.603 -16.995 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.339 4.913 -18.611 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.983 5.073 -17.547 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.089 5.177 -18.921 1.00 0.00 H new ATOM 1195 N ARG A 74 4.356 -0.743 -14.014 1.00 0.00 N ATOM 1196 CA ARG A 74 4.693 -2.072 -14.500 1.00 0.00 C ATOM 1197 C ARG A 74 3.681 -2.541 -15.538 1.00 0.00 C ATOM 1198 O ARG A 74 4.001 -3.341 -16.417 1.00 0.00 O ATOM 1199 CB ARG A 74 4.754 -3.066 -13.339 1.00 0.00 C ATOM 1200 CG ARG A 74 5.864 -4.096 -13.477 1.00 0.00 C ATOM 1201 CD ARG A 74 5.561 -5.352 -12.675 1.00 0.00 C ATOM 1202 NE ARG A 74 5.011 -6.415 -13.512 1.00 0.00 N ATOM 1203 CZ ARG A 74 5.736 -7.147 -14.354 1.00 0.00 C ATOM 1204 NH1 ARG A 74 7.041 -6.933 -14.475 1.00 0.00 N ATOM 1205 NH2 ARG A 74 5.156 -8.095 -15.078 1.00 0.00 N ATOM 0 H ARG A 74 4.000 -0.722 -13.058 1.00 0.00 H new ATOM 0 HA ARG A 74 5.674 -2.022 -14.972 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.893 -2.516 -12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.797 -3.583 -13.264 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.992 -4.356 -14.528 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.806 -3.665 -13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.474 -5.704 -12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.854 -5.113 -11.881 1.00 0.00 H new ATOM 0 HE ARG A 74 4.011 -6.608 -13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.492 -6.205 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.592 -7.497 -15.122 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.154 -8.263 -14.989 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.712 -8.656 -15.723 1.00 0.00 H new ATOM 1219 N LYS A 75 2.460 -2.036 -15.427 1.00 0.00 N ATOM 1220 CA LYS A 75 1.396 -2.398 -16.353 1.00 0.00 C ATOM 1221 C LYS A 75 1.619 -1.758 -17.717 1.00 0.00 C ATOM 1222 O LYS A 75 1.202 -2.295 -18.743 1.00 0.00 O ATOM 1223 CB LYS A 75 0.036 -1.976 -15.792 1.00 0.00 C ATOM 1224 CG LYS A 75 -1.080 -2.960 -16.101 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.954 -4.225 -15.267 1.00 0.00 C ATOM 1226 CE LYS A 75 -1.818 -4.156 -14.018 1.00 0.00 C ATOM 1227 NZ LYS A 75 -1.617 -5.340 -13.137 1.00 0.00 N ATOM 0 H LYS A 75 2.181 -1.373 -14.703 1.00 0.00 H new ATOM 0 HA LYS A 75 1.409 -3.481 -16.476 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.118 -1.860 -14.711 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.229 -1.000 -16.198 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.044 -2.490 -15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.057 -3.217 -17.160 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.246 -5.088 -15.866 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.088 -4.373 -14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.583 -3.247 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.867 -4.092 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.224 -5.255 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.865 -6.206 -13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.621 -5.388 -12.841 1.00 0.00 H new ATOM 1241 N SER A 76 2.280 -0.609 -17.718 1.00 0.00 N ATOM 1242 CA SER A 76 2.563 0.111 -18.952 1.00 0.00 C ATOM 1243 C SER A 76 3.678 -0.565 -19.744 1.00 0.00 C ATOM 1244 O SER A 76 3.829 -0.331 -20.943 1.00 0.00 O ATOM 1245 CB SER A 76 2.943 1.561 -18.648 1.00 0.00 C ATOM 1246 OG SER A 76 1.794 2.340 -18.360 1.00 0.00 O ATOM 0 H SER A 76 2.631 -0.154 -16.875 1.00 0.00 H new ATOM 0 HA SER A 76 1.658 0.099 -19.559 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.628 1.591 -17.801 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.471 1.988 -19.500 1.00 0.00 H new ATOM 0 HG SER A 76 2.064 3.262 -18.167 1.00 0.00 H new ATOM 1252 N ARG A 77 4.454 -1.407 -19.070 1.00 0.00 N ATOM 1253 CA ARG A 77 5.550 -2.117 -19.717 1.00 0.00 C ATOM 1254 C ARG A 77 5.034 -3.039 -20.821 1.00 0.00 C ATOM 1255 O ARG A 77 5.802 -3.493 -21.669 1.00 0.00 O ATOM 1256 CB ARG A 77 6.337 -2.929 -18.687 1.00 0.00 C ATOM 1257 CG ARG A 77 7.105 -2.071 -17.694 1.00 0.00 C ATOM 1258 CD ARG A 77 8.357 -2.777 -17.199 1.00 0.00 C ATOM 1259 NE ARG A 77 9.413 -1.833 -16.840 1.00 0.00 N ATOM 1260 CZ ARG A 77 10.454 -2.142 -16.071 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.583 -3.368 -15.578 1.00 0.00 N ATOM 1262 NH2 ARG A 77 11.369 -1.224 -15.794 1.00 0.00 N ATOM 0 H ARG A 77 4.344 -1.614 -18.077 1.00 0.00 H new ATOM 0 HA ARG A 77 6.209 -1.376 -20.169 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.648 -3.573 -18.141 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.037 -3.581 -19.209 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.380 -1.127 -18.164 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.463 -1.830 -16.847 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.109 -3.390 -16.332 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.722 -3.452 -17.973 1.00 0.00 H new ATOM 0 HE ARG A 77 9.348 -0.881 -17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.882 -4.079 -15.788 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.383 -3.599 -14.989 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.275 -0.281 -16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.167 -1.461 -15.204 1.00 0.00 H new ATOM 1276 N ASP A 78 3.731 -3.312 -20.807 1.00 0.00 N ATOM 1277 CA ASP A 78 3.123 -4.175 -21.804 1.00 0.00 C ATOM 1278 C ASP A 78 1.872 -3.533 -22.395 1.00 0.00 C ATOM 1279 O ASP A 78 0.928 -4.226 -22.777 1.00 0.00 O ATOM 1280 CB ASP A 78 2.783 -5.534 -21.195 1.00 0.00 C ATOM 1281 CG ASP A 78 3.542 -6.670 -21.852 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.039 -7.217 -22.857 1.00 0.00 O ATOM 1283 OD2 ASP A 78 4.638 -7.013 -21.362 1.00 0.00 O ATOM 0 H ASP A 78 3.079 -2.945 -20.113 1.00 0.00 H new ATOM 0 HA ASP A 78 3.843 -4.320 -22.609 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.010 -5.518 -20.129 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.712 -5.714 -21.290 1.00 0.00 H new