USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 864 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -6.26! C(o=-8.8!,f=-4!) USER MOD Set 2.2: A 55 GLN : amide:sc= -2.59 K(o=-8.8,f=-4) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 164:sc= 0.193 (180deg=0.133) USER MOD Set 3.2: A 44 GLN : amide:sc= -5.63! C(o=-5.4!,f=-5.8!) USER MOD Single : A 19 GLN : amide:sc= -0.115 K(o=-0.11,f=-3.3!) USER MOD Single : A 23 TYR OH : rot 173:sc= -1.18 USER MOD Single : A 24 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= -9.21! C(o=-9.2!,f=-19!) USER MOD Single : A 29 HIS : no HD1:sc= -0.459 K(o=-0.46,f=-1.5) USER MOD Single : A 30 TYR OH : rot -151:sc= -0.824 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 91:sc= 0.528 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.235 (180deg=-0.873) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 48 THR OG1 : rot -89:sc= 0.0496 USER MOD Single : A 58 GLN : amide:sc= -0.375 K(o=-0.37,f=-3.9!) USER MOD Single : A 62 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.73) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.62) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.599 K(o=-0.6,f=-8.9!) USER MOD Single : A 85 CYS SG : rot 67:sc= 0.16 USER MOD Single : A 87 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.33) USER MOD Single : A 100 SER OG : rot 8:sc= 0.0336 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.799 K(o=-0.8,f=-6.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 81:sc= 0.173 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.760 16.710 -5.496 1.00 0.00 N ATOM 202 CA GLY A 15 2.080 17.010 -4.249 1.00 0.00 C ATOM 203 C GLY A 15 1.436 15.785 -3.631 1.00 0.00 C ATOM 204 O GLY A 15 1.271 14.760 -4.294 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.793 17.437 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.316 17.767 -4.428 1.00 0.00 H new ATOM 208 N LEU A 16 1.073 15.889 -2.358 1.00 0.00 N ATOM 209 CA LEU A 16 0.445 14.779 -1.648 1.00 0.00 C ATOM 210 C LEU A 16 -0.605 14.100 -2.521 1.00 0.00 C ATOM 211 O LEU A 16 -0.645 12.874 -2.619 1.00 0.00 O ATOM 212 CB LEU A 16 -0.197 15.275 -0.351 1.00 0.00 C ATOM 213 CG LEU A 16 0.740 15.968 0.639 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.048 16.547 1.804 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.798 14.996 1.140 1.00 0.00 C ATOM 0 H LEU A 16 1.202 16.730 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 16 1.218 14.050 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.999 15.968 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.659 14.425 0.151 1.00 0.00 H new ATOM 0 HG LEU A 16 1.241 16.787 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.635 17.036 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.768 17.275 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.577 15.745 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.456 15.506 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.314 14.157 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.383 14.628 0.297 1.00 0.00 H new ATOM 227 N GLU A 17 -1.452 14.905 -3.155 1.00 0.00 N ATOM 228 CA GLU A 17 -2.501 14.380 -4.021 1.00 0.00 C ATOM 229 C GLU A 17 -1.902 13.642 -5.215 1.00 0.00 C ATOM 230 O GLU A 17 -2.478 12.673 -5.712 1.00 0.00 O ATOM 231 CB GLU A 17 -3.405 15.514 -4.509 1.00 0.00 C ATOM 232 CG GLU A 17 -4.207 16.173 -3.400 1.00 0.00 C ATOM 233 CD GLU A 17 -5.399 16.950 -3.925 1.00 0.00 C ATOM 234 OE1 GLU A 17 -6.212 16.358 -4.665 1.00 0.00 O ATOM 235 OE2 GLU A 17 -5.520 18.148 -3.595 1.00 0.00 O ATOM 0 H GLU A 17 -1.432 15.922 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.096 13.674 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.792 16.269 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.092 15.122 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.554 15.409 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.559 16.845 -2.838 1.00 0.00 H new ATOM 242 N ASP A 18 -0.745 14.107 -5.671 1.00 0.00 N ATOM 243 CA ASP A 18 -0.067 13.492 -6.806 1.00 0.00 C ATOM 244 C ASP A 18 0.569 12.165 -6.405 1.00 0.00 C ATOM 245 O ASP A 18 0.632 11.230 -7.203 1.00 0.00 O ATOM 246 CB ASP A 18 1.000 14.436 -7.362 1.00 0.00 C ATOM 247 CG ASP A 18 0.429 15.443 -8.342 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.167 15.014 -9.352 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.580 16.658 -8.099 1.00 0.00 O ATOM 0 H ASP A 18 -0.256 14.908 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.809 13.299 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.477 14.966 -6.538 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.776 13.852 -7.857 1.00 0.00 H new ATOM 254 N GLN A 19 1.041 12.091 -5.164 1.00 0.00 N ATOM 255 CA GLN A 19 1.674 10.879 -4.659 1.00 0.00 C ATOM 256 C GLN A 19 0.679 9.724 -4.613 1.00 0.00 C ATOM 257 O GLN A 19 0.960 8.629 -5.100 1.00 0.00 O ATOM 258 CB GLN A 19 2.253 11.124 -3.265 1.00 0.00 C ATOM 259 CG GLN A 19 3.089 12.390 -3.167 1.00 0.00 C ATOM 260 CD GLN A 19 4.105 12.334 -2.043 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.745 12.236 -0.870 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.383 12.396 -2.397 1.00 0.00 N ATOM 0 H GLN A 19 0.997 12.856 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 19 2.483 10.611 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.436 11.182 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.868 10.270 -2.981 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.607 12.552 -4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.430 13.245 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.636 12.477 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.112 12.363 -1.684 1.00 0.00 H new ATOM 271 N LYS A 20 -0.485 9.976 -4.024 1.00 0.00 N ATOM 272 CA LYS A 20 -1.524 8.958 -3.915 1.00 0.00 C ATOM 273 C LYS A 20 -1.573 8.093 -5.170 1.00 0.00 C ATOM 274 O LYS A 20 -1.612 6.865 -5.088 1.00 0.00 O ATOM 275 CB LYS A 20 -2.887 9.614 -3.681 1.00 0.00 C ATOM 276 CG LYS A 20 -4.061 8.725 -4.054 1.00 0.00 C ATOM 277 CD LYS A 20 -5.386 9.448 -3.876 1.00 0.00 C ATOM 278 CE LYS A 20 -6.533 8.469 -3.681 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.859 9.139 -3.790 1.00 0.00 N ATOM 0 H LYS A 20 -0.733 10.877 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.284 8.320 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.972 9.892 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.942 10.536 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.959 8.401 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.049 7.827 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.325 10.115 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.582 10.071 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.464 7.676 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.444 7.996 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.600 8.422 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.049 9.676 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.855 9.787 -4.603 1.00 0.00 H new ATOM 293 N ARG A 21 -1.569 8.741 -6.330 1.00 0.00 N ATOM 294 CA ARG A 21 -1.612 8.031 -7.603 1.00 0.00 C ATOM 295 C ARG A 21 -0.327 7.239 -7.828 1.00 0.00 C ATOM 296 O ARG A 21 -0.359 6.019 -7.991 1.00 0.00 O ATOM 297 CB ARG A 21 -1.826 9.016 -8.754 1.00 0.00 C ATOM 298 CG ARG A 21 -1.905 8.350 -10.118 1.00 0.00 C ATOM 299 CD ARG A 21 -0.532 8.237 -10.763 1.00 0.00 C ATOM 300 NE ARG A 21 0.054 9.546 -11.036 1.00 0.00 N ATOM 301 CZ ARG A 21 1.198 9.718 -11.689 1.00 0.00 C ATOM 302 NH1 ARG A 21 1.874 8.668 -12.135 1.00 0.00 N ATOM 303 NH2 ARG A 21 1.667 10.941 -11.899 1.00 0.00 N ATOM 0 H ARG A 21 -1.536 9.757 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.448 7.332 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.746 9.574 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.010 9.739 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.342 7.357 -10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.567 8.924 -10.767 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.131 7.673 -10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.614 7.675 -11.694 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.442 10.374 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.516 7.726 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.752 8.802 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.149 11.751 -11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.546 11.071 -12.401 1.00 0.00 H new ATOM 317 N ILE A 22 0.800 7.942 -7.836 1.00 0.00 N ATOM 318 CA ILE A 22 2.095 7.305 -8.040 1.00 0.00 C ATOM 319 C ILE A 22 2.180 5.979 -7.292 1.00 0.00 C ATOM 320 O ILE A 22 2.634 4.973 -7.838 1.00 0.00 O ATOM 321 CB ILE A 22 3.249 8.215 -7.581 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.269 9.505 -8.404 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.579 7.485 -7.699 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.207 10.557 -7.856 1.00 0.00 C ATOM 0 H ILE A 22 0.843 8.952 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 22 2.191 7.122 -9.110 1.00 0.00 H new ATOM 0 HB ILE A 22 3.091 8.476 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.559 9.269 -9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.260 9.916 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.385 8.142 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.561 6.592 -7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.745 7.197 -8.737 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.170 11.443 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.905 10.822 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.224 10.165 -7.840 1.00 0.00 H new ATOM 336 N TYR A 23 1.738 5.984 -6.039 1.00 0.00 N ATOM 337 CA TYR A 23 1.764 4.782 -5.214 1.00 0.00 C ATOM 338 C TYR A 23 0.742 3.762 -5.706 1.00 0.00 C ATOM 339 O TYR A 23 0.984 2.555 -5.672 1.00 0.00 O ATOM 340 CB TYR A 23 1.487 5.135 -3.752 1.00 0.00 C ATOM 341 CG TYR A 23 2.604 5.914 -3.095 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.932 5.550 -3.278 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.331 7.013 -2.290 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.956 6.258 -2.679 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.348 7.728 -1.688 1.00 0.00 C ATOM 346 CZ TYR A 23 4.659 7.346 -1.885 1.00 0.00 C ATOM 347 OH TYR A 23 5.675 8.055 -1.286 1.00 0.00 O ATOM 0 H TYR A 23 1.357 6.807 -5.572 1.00 0.00 H new ATOM 0 HA TYR A 23 2.757 4.340 -5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.567 5.717 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.317 4.216 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.168 4.699 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.306 7.313 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.983 5.961 -2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.118 8.581 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 23 5.306 8.854 -0.855 1.00 0.00 H new ATOM 357 N THR A 24 -0.404 4.256 -6.165 1.00 0.00 N ATOM 358 CA THR A 24 -1.464 3.390 -6.663 1.00 0.00 C ATOM 359 C THR A 24 -0.960 2.496 -7.790 1.00 0.00 C ATOM 360 O THR A 24 -0.885 1.276 -7.641 1.00 0.00 O ATOM 361 CB THR A 24 -2.666 4.209 -7.172 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.248 4.947 -6.092 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.715 3.300 -7.795 1.00 0.00 C ATOM 0 H THR A 24 -0.621 5.252 -6.202 1.00 0.00 H new ATOM 0 HA THR A 24 -1.784 2.770 -5.826 1.00 0.00 H new ATOM 0 HB THR A 24 -2.309 4.902 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.650 5.681 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.554 3.900 -8.147 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.277 2.761 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.067 2.586 -7.050 1.00 0.00 H new ATOM 371 N ASP A 25 -0.615 3.109 -8.917 1.00 0.00 N ATOM 372 CA ASP A 25 -0.115 2.368 -10.069 1.00 0.00 C ATOM 373 C ASP A 25 0.983 1.394 -9.654 1.00 0.00 C ATOM 374 O ASP A 25 1.118 0.314 -10.229 1.00 0.00 O ATOM 375 CB ASP A 25 0.416 3.332 -11.131 1.00 0.00 C ATOM 376 CG ASP A 25 0.667 2.648 -12.460 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.298 2.491 -13.238 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.828 2.268 -12.723 1.00 0.00 O ATOM 0 H ASP A 25 -0.672 4.118 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.943 1.797 -10.489 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.299 4.142 -11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.343 3.783 -10.777 1.00 0.00 H new ATOM 383 N TRP A 26 1.765 1.783 -8.654 1.00 0.00 N ATOM 384 CA TRP A 26 2.852 0.944 -8.162 1.00 0.00 C ATOM 385 C TRP A 26 2.311 -0.335 -7.534 1.00 0.00 C ATOM 386 O TRP A 26 2.739 -1.436 -7.879 1.00 0.00 O ATOM 387 CB TRP A 26 3.695 1.712 -7.143 1.00 0.00 C ATOM 388 CG TRP A 26 4.797 0.890 -6.545 1.00 0.00 C ATOM 389 CD1 TRP A 26 6.056 0.718 -7.047 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.738 0.129 -5.334 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.783 -0.105 -6.221 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.998 -0.479 -5.162 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.746 -0.097 -4.376 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.287 -1.298 -4.074 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.034 -0.910 -3.297 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.296 -1.502 -3.152 1.00 0.00 C ATOM 0 H TRP A 26 1.667 2.674 -8.168 1.00 0.00 H new ATOM 0 HA TRP A 26 3.480 0.671 -9.010 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.126 2.589 -7.626 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.047 2.074 -6.345 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.425 1.163 -7.959 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.750 -0.391 -6.372 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.771 0.356 -4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.259 -1.756 -3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.273 -1.093 -2.552 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.490 -2.131 -2.296 1.00 0.00 H new ATOM 407 N ALA A 27 1.369 -0.183 -6.609 1.00 0.00 N ATOM 408 CA ALA A 27 0.768 -1.327 -5.935 1.00 0.00 C ATOM 409 C ALA A 27 -0.082 -2.148 -6.898 1.00 0.00 C ATOM 410 O ALA A 27 0.085 -3.362 -7.007 1.00 0.00 O ATOM 411 CB ALA A 27 -0.070 -0.862 -4.753 1.00 0.00 C ATOM 0 H ALA A 27 1.006 0.722 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 27 1.572 -1.965 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.513 -1.727 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.563 -0.325 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.861 -0.201 -5.106 1.00 0.00 H new ATOM 417 N ASN A 28 -0.993 -1.478 -7.595 1.00 0.00 N ATOM 418 CA ASN A 28 -1.871 -2.147 -8.549 1.00 0.00 C ATOM 419 C ASN A 28 -1.077 -3.087 -9.451 1.00 0.00 C ATOM 420 O ASN A 28 -1.523 -4.193 -9.759 1.00 0.00 O ATOM 421 CB ASN A 28 -2.616 -1.116 -9.398 1.00 0.00 C ATOM 422 CG ASN A 28 -3.300 -0.057 -8.554 1.00 0.00 C ATOM 423 OD1 ASN A 28 -2.974 0.124 -7.381 1.00 0.00 O ATOM 424 ND2 ASN A 28 -4.256 0.647 -9.150 1.00 0.00 N ATOM 0 H ASN A 28 -1.143 -0.472 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.596 -2.736 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.914 -0.636 -10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.360 -1.624 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.753 1.372 -8.633 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.493 0.462 -10.125 1.00 0.00 H new ATOM 431 N HIS A 29 0.102 -2.640 -9.871 1.00 0.00 N ATOM 432 CA HIS A 29 0.960 -3.442 -10.737 1.00 0.00 C ATOM 433 C HIS A 29 1.163 -4.839 -10.157 1.00 0.00 C ATOM 434 O HIS A 29 1.229 -5.823 -10.893 1.00 0.00 O ATOM 435 CB HIS A 29 2.312 -2.755 -10.929 1.00 0.00 C ATOM 436 CG HIS A 29 3.410 -3.694 -11.324 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.271 -4.638 -12.319 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.672 -3.829 -10.853 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.399 -5.314 -12.442 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.265 -4.842 -11.564 1.00 0.00 N ATOM 0 H HIS A 29 0.485 -1.727 -9.626 1.00 0.00 H new ATOM 0 HA HIS A 29 0.469 -3.538 -11.706 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.213 -1.983 -11.692 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.590 -2.253 -10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.127 -3.248 -10.065 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.582 -6.116 -13.142 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.220 -5.176 -11.435 1.00 0.00 H new ATOM 449 N TYR A 30 1.262 -4.916 -8.835 1.00 0.00 N ATOM 450 CA TYR A 30 1.461 -6.192 -8.157 1.00 0.00 C ATOM 451 C TYR A 30 0.184 -7.026 -8.179 1.00 0.00 C ATOM 452 O TYR A 30 0.220 -8.243 -7.994 1.00 0.00 O ATOM 453 CB TYR A 30 1.908 -5.961 -6.712 1.00 0.00 C ATOM 454 CG TYR A 30 3.327 -5.455 -6.591 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.407 -6.321 -6.715 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.589 -4.112 -6.351 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.706 -5.863 -6.604 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.884 -3.645 -6.240 1.00 0.00 C ATOM 459 CZ TYR A 30 5.939 -4.525 -6.367 1.00 0.00 C ATOM 460 OH TYR A 30 7.231 -4.064 -6.255 1.00 0.00 O ATOM 0 H TYR A 30 1.208 -4.111 -8.211 1.00 0.00 H new ATOM 0 HA TYR A 30 2.240 -6.739 -8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.234 -5.244 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.816 -6.895 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.228 -7.370 -6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.765 -3.421 -6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.534 -6.549 -6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.070 -2.597 -6.055 1.00 0.00 H new ATOM 0 HH TYR A 30 7.249 -3.282 -5.665 1.00 0.00 H new ATOM 470 N LEU A 31 -0.944 -6.363 -8.409 1.00 0.00 N ATOM 471 CA LEU A 31 -2.234 -7.041 -8.457 1.00 0.00 C ATOM 472 C LEU A 31 -2.491 -7.627 -9.842 1.00 0.00 C ATOM 473 O LEU A 31 -2.975 -8.750 -9.972 1.00 0.00 O ATOM 474 CB LEU A 31 -3.357 -6.071 -8.085 1.00 0.00 C ATOM 475 CG LEU A 31 -3.507 -5.757 -6.596 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.657 -4.788 -6.368 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.719 -7.036 -5.800 1.00 0.00 C ATOM 0 H LEU A 31 -0.991 -5.356 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.214 -7.858 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.193 -5.135 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.300 -6.482 -8.446 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.588 -5.285 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.749 -4.576 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.464 -3.861 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.584 -5.232 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.824 -6.793 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.623 -7.536 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.863 -7.696 -5.938 1.00 0.00 H new ATOM 489 N ALA A 32 -2.160 -6.858 -10.874 1.00 0.00 N ATOM 490 CA ALA A 32 -2.350 -7.302 -12.249 1.00 0.00 C ATOM 491 C ALA A 32 -1.339 -8.381 -12.623 1.00 0.00 C ATOM 492 O ALA A 32 -1.606 -9.228 -13.475 1.00 0.00 O ATOM 493 CB ALA A 32 -2.243 -6.122 -13.204 1.00 0.00 C ATOM 0 H ALA A 32 -1.759 -5.925 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.348 -7.733 -12.331 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.387 -6.468 -14.228 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.008 -5.385 -12.959 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.257 -5.666 -13.110 1.00 0.00 H new ATOM 499 N LYS A 33 -0.177 -8.344 -11.979 1.00 0.00 N ATOM 500 CA LYS A 33 0.875 -9.319 -12.243 1.00 0.00 C ATOM 501 C LYS A 33 0.523 -10.675 -11.639 1.00 0.00 C ATOM 502 O LYS A 33 0.769 -11.717 -12.246 1.00 0.00 O ATOM 503 CB LYS A 33 2.208 -8.826 -11.676 1.00 0.00 C ATOM 504 CG LYS A 33 2.407 -9.164 -10.209 1.00 0.00 C ATOM 505 CD LYS A 33 3.785 -8.747 -9.722 1.00 0.00 C ATOM 506 CE LYS A 33 4.840 -9.780 -10.083 1.00 0.00 C ATOM 507 NZ LYS A 33 4.873 -10.904 -9.107 1.00 0.00 N ATOM 0 H LYS A 33 0.060 -7.649 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 33 0.967 -9.435 -13.323 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.023 -9.262 -12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.270 -7.745 -11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.643 -8.665 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.277 -10.236 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.051 -7.785 -10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.764 -8.610 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.639 -10.171 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.819 -9.302 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.605 -11.587 -9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.090 -10.535 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.947 -11.377 -9.091 1.00 0.00 H new ATOM 521 N SER A 34 -0.054 -10.653 -10.442 1.00 0.00 N ATOM 522 CA SER A 34 -0.437 -11.881 -9.756 1.00 0.00 C ATOM 523 C SER A 34 -1.784 -12.388 -10.261 1.00 0.00 C ATOM 524 O SER A 34 -2.395 -13.270 -9.657 1.00 0.00 O ATOM 525 CB SER A 34 -0.500 -11.648 -8.245 1.00 0.00 C ATOM 526 OG SER A 34 0.730 -11.146 -7.755 1.00 0.00 O ATOM 0 H SER A 34 -0.266 -9.798 -9.927 1.00 0.00 H new ATOM 0 HA SER A 34 0.319 -12.637 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.301 -10.945 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.742 -12.583 -7.740 1.00 0.00 H new ATOM 0 HG SER A 34 0.715 -10.166 -7.774 1.00 0.00 H new ATOM 532 N GLY A 35 -2.243 -11.823 -11.374 1.00 0.00 N ATOM 533 CA GLY A 35 -3.515 -12.230 -11.943 1.00 0.00 C ATOM 534 C GLY A 35 -4.677 -11.974 -11.004 1.00 0.00 C ATOM 535 O GLY A 35 -5.463 -12.877 -10.717 1.00 0.00 O ATOM 0 H GLY A 35 -1.757 -11.091 -11.892 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.681 -11.692 -12.877 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.477 -13.291 -12.189 1.00 0.00 H new ATOM 539 N HIS A 36 -4.787 -10.740 -10.523 1.00 0.00 N ATOM 540 CA HIS A 36 -5.862 -10.368 -9.609 1.00 0.00 C ATOM 541 C HIS A 36 -7.050 -9.793 -10.374 1.00 0.00 C ATOM 542 O HIS A 36 -6.884 -8.953 -11.260 1.00 0.00 O ATOM 543 CB HIS A 36 -5.360 -9.351 -8.584 1.00 0.00 C ATOM 544 CG HIS A 36 -6.323 -9.103 -7.464 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.509 -9.987 -6.423 1.00 0.00 N ATOM 546 CD2 HIS A 36 -7.155 -8.063 -7.226 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.415 -9.502 -5.593 1.00 0.00 C ATOM 548 NE2 HIS A 36 -7.823 -8.335 -6.058 1.00 0.00 N ATOM 0 H HIS A 36 -4.145 -9.981 -10.751 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.189 -11.267 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.415 -9.702 -8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.154 -8.408 -9.091 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.023 -10.877 -6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.272 -7.183 -7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.763 -9.978 -4.688 1.00 0.00 H new ATOM 557 N LYS A 37 -8.248 -10.250 -10.028 1.00 0.00 N ATOM 558 CA LYS A 37 -9.465 -9.782 -10.680 1.00 0.00 C ATOM 559 C LYS A 37 -9.996 -8.523 -10.002 1.00 0.00 C ATOM 560 O LYS A 37 -11.173 -8.448 -9.646 1.00 0.00 O ATOM 561 CB LYS A 37 -10.534 -10.876 -10.658 1.00 0.00 C ATOM 562 CG LYS A 37 -10.293 -11.982 -11.671 1.00 0.00 C ATOM 563 CD LYS A 37 -10.695 -11.553 -13.072 1.00 0.00 C ATOM 564 CE LYS A 37 -10.069 -12.448 -14.130 1.00 0.00 C ATOM 565 NZ LYS A 37 -8.586 -12.498 -14.008 1.00 0.00 N ATOM 0 H LYS A 37 -8.402 -10.946 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.223 -9.541 -11.715 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.576 -11.312 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.508 -10.425 -10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.239 -12.260 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.859 -12.868 -11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.781 -11.582 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.388 -10.521 -13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.475 -13.456 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.340 -12.083 -15.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.171 -12.753 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.230 -11.566 -13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.320 -13.210 -13.298 1.00 0.00 H new ATOM 579 N ARG A 38 -9.123 -7.537 -9.826 1.00 0.00 N ATOM 580 CA ARG A 38 -9.505 -6.282 -9.190 1.00 0.00 C ATOM 581 C ARG A 38 -8.348 -5.288 -9.211 1.00 0.00 C ATOM 582 O ARG A 38 -7.196 -5.664 -9.432 1.00 0.00 O ATOM 583 CB ARG A 38 -9.952 -6.531 -7.749 1.00 0.00 C ATOM 584 CG ARG A 38 -10.716 -5.368 -7.138 1.00 0.00 C ATOM 585 CD ARG A 38 -11.166 -5.680 -5.720 1.00 0.00 C ATOM 586 NE ARG A 38 -12.479 -6.319 -5.690 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.044 -6.787 -4.583 1.00 0.00 C ATOM 588 NH1 ARG A 38 -12.415 -6.686 -3.420 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.242 -7.355 -4.637 1.00 0.00 N ATOM 0 H ARG A 38 -8.146 -7.583 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.337 -5.857 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.580 -7.422 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.075 -6.740 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.085 -4.479 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.585 -5.138 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.435 -6.332 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.198 -4.758 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.990 -6.411 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.495 -6.248 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.851 -7.046 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.730 -7.433 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.675 -7.714 -3.786 1.00 0.00 H new ATOM 603 N LEU A 39 -8.661 -4.018 -8.979 1.00 0.00 N ATOM 604 CA LEU A 39 -7.648 -2.969 -8.971 1.00 0.00 C ATOM 605 C LEU A 39 -7.873 -2.003 -7.812 1.00 0.00 C ATOM 606 O LEU A 39 -8.793 -2.181 -7.013 1.00 0.00 O ATOM 607 CB LEU A 39 -7.665 -2.206 -10.296 1.00 0.00 C ATOM 608 CG LEU A 39 -7.181 -2.980 -11.523 1.00 0.00 C ATOM 609 CD1 LEU A 39 -7.157 -2.079 -12.748 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.803 -3.573 -11.269 1.00 0.00 C ATOM 0 H LEU A 39 -9.609 -3.690 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.674 -3.441 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.684 -1.867 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.047 -1.315 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.878 -3.797 -11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.810 -2.647 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.161 -1.702 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.483 -1.241 -12.570 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.474 -4.120 -12.152 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.096 -2.772 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.851 -4.252 -10.418 1.00 0.00 H new ATOM 622 N ILE A 40 -7.030 -0.980 -7.729 1.00 0.00 N ATOM 623 CA ILE A 40 -7.140 0.016 -6.670 1.00 0.00 C ATOM 624 C ILE A 40 -7.742 1.314 -7.196 1.00 0.00 C ATOM 625 O ILE A 40 -7.119 2.025 -7.984 1.00 0.00 O ATOM 626 CB ILE A 40 -5.768 0.319 -6.038 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.277 -0.884 -5.230 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.853 1.556 -5.156 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.861 -0.734 -4.722 1.00 0.00 C ATOM 0 H ILE A 40 -6.263 -0.819 -8.382 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.797 -0.404 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.052 0.514 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.944 -1.038 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.339 -1.778 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.876 1.757 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.164 2.411 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.580 1.387 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.580 -1.624 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.183 -0.610 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.797 0.141 -4.075 1.00 0.00 H new ATOM 641 N ARG A 41 -8.958 1.618 -6.754 1.00 0.00 N ATOM 642 CA ARG A 41 -9.645 2.831 -7.180 1.00 0.00 C ATOM 643 C ARG A 41 -9.253 4.015 -6.301 1.00 0.00 C ATOM 644 O ARG A 41 -8.699 5.003 -6.784 1.00 0.00 O ATOM 645 CB ARG A 41 -11.161 2.628 -7.132 1.00 0.00 C ATOM 646 CG ARG A 41 -11.953 3.916 -7.284 1.00 0.00 C ATOM 647 CD ARG A 41 -12.146 4.282 -8.748 1.00 0.00 C ATOM 648 NE ARG A 41 -13.347 3.671 -9.311 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.581 4.013 -8.957 1.00 0.00 C ATOM 650 NH1 ARG A 41 -14.775 4.955 -8.045 1.00 0.00 N ATOM 651 NH2 ARG A 41 -15.623 3.411 -9.515 1.00 0.00 N ATOM 0 H ARG A 41 -9.488 1.041 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.346 3.046 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.452 1.937 -7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.426 2.158 -6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.925 3.805 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.435 4.726 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.211 5.366 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.275 3.962 -9.320 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.232 2.942 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.976 5.419 -7.613 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.723 5.216 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.477 2.685 -10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.570 3.674 -9.243 1.00 0.00 H new ATOM 665 N ASP A 42 -9.543 3.908 -5.009 1.00 0.00 N ATOM 666 CA ASP A 42 -9.220 4.970 -4.062 1.00 0.00 C ATOM 667 C ASP A 42 -8.185 4.496 -3.047 1.00 0.00 C ATOM 668 O ASP A 42 -8.489 3.696 -2.162 1.00 0.00 O ATOM 669 CB ASP A 42 -10.484 5.439 -3.339 1.00 0.00 C ATOM 670 CG ASP A 42 -11.190 6.560 -4.076 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.608 7.660 -4.180 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.324 6.338 -4.548 1.00 0.00 O ATOM 0 H ASP A 42 -10.001 3.097 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.799 5.806 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.167 4.597 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.222 5.776 -2.336 1.00 0.00 H new ATOM 677 N LEU A 43 -6.961 4.994 -3.183 1.00 0.00 N ATOM 678 CA LEU A 43 -5.879 4.621 -2.278 1.00 0.00 C ATOM 679 C LEU A 43 -6.273 4.871 -0.826 1.00 0.00 C ATOM 680 O LEU A 43 -5.962 4.072 0.057 1.00 0.00 O ATOM 681 CB LEU A 43 -4.610 5.406 -2.617 1.00 0.00 C ATOM 682 CG LEU A 43 -3.299 4.821 -2.093 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.936 3.557 -2.857 1.00 0.00 C ATOM 684 CD2 LEU A 43 -2.179 5.847 -2.194 1.00 0.00 C ATOM 0 H LEU A 43 -6.693 5.657 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.684 3.556 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.539 5.492 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.716 6.417 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.433 4.561 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.000 3.154 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.727 2.818 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.820 3.792 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.253 5.413 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.045 6.138 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.436 6.725 -1.602 1.00 0.00 H new ATOM 696 N GLN A 44 -6.959 5.984 -0.588 1.00 0.00 N ATOM 697 CA GLN A 44 -7.397 6.338 0.758 1.00 0.00 C ATOM 698 C GLN A 44 -8.600 5.499 1.177 1.00 0.00 C ATOM 699 O GLN A 44 -9.095 5.625 2.297 1.00 0.00 O ATOM 700 CB GLN A 44 -7.747 7.825 0.828 1.00 0.00 C ATOM 701 CG GLN A 44 -6.531 8.737 0.830 1.00 0.00 C ATOM 702 CD GLN A 44 -6.844 10.128 0.315 1.00 0.00 C ATOM 703 OE1 GLN A 44 -6.884 10.360 -0.894 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.069 11.063 1.231 1.00 0.00 N ATOM 0 H GLN A 44 -7.224 6.656 -1.308 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.577 6.133 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.381 8.081 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.331 8.010 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.137 8.809 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.748 8.294 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.026 10.827 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.285 12.017 0.943 1.00 0.00 H new ATOM 713 N GLN A 45 -9.064 4.645 0.271 1.00 0.00 N ATOM 714 CA GLN A 45 -10.210 3.787 0.548 1.00 0.00 C ATOM 715 C GLN A 45 -9.900 2.335 0.198 1.00 0.00 C ATOM 716 O GLN A 45 -10.733 1.449 0.390 1.00 0.00 O ATOM 717 CB GLN A 45 -11.433 4.263 -0.239 1.00 0.00 C ATOM 718 CG GLN A 45 -11.799 5.714 0.026 1.00 0.00 C ATOM 719 CD GLN A 45 -13.055 6.143 -0.707 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.013 5.377 -0.820 1.00 0.00 O ATOM 721 NE2 GLN A 45 -13.058 7.372 -1.209 1.00 0.00 N ATOM 0 H GLN A 45 -8.665 4.529 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.427 3.847 1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.242 4.134 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.285 3.630 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.941 5.859 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.970 6.355 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.242 7.973 -1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.876 7.715 -1.712 1.00 0.00 H new ATOM 730 N ASP A 46 -8.698 2.099 -0.315 1.00 0.00 N ATOM 731 CA ASP A 46 -8.277 0.754 -0.691 1.00 0.00 C ATOM 732 C ASP A 46 -7.535 0.077 0.457 1.00 0.00 C ATOM 733 O ASP A 46 -7.357 -1.141 0.461 1.00 0.00 O ATOM 734 CB ASP A 46 -7.386 0.804 -1.933 1.00 0.00 C ATOM 735 CG ASP A 46 -5.916 0.931 -1.585 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.543 1.934 -0.942 1.00 0.00 O ATOM 737 OD2 ASP A 46 -5.138 0.028 -1.958 1.00 0.00 O ATOM 0 H ASP A 46 -7.997 2.822 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.169 0.170 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.540 -0.099 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.683 1.647 -2.556 1.00 0.00 H new ATOM 742 N VAL A 47 -7.103 0.875 1.428 1.00 0.00 N ATOM 743 CA VAL A 47 -6.379 0.352 2.581 1.00 0.00 C ATOM 744 C VAL A 47 -7.142 0.618 3.875 1.00 0.00 C ATOM 745 O VAL A 47 -6.543 0.850 4.925 1.00 0.00 O ATOM 746 CB VAL A 47 -4.974 0.973 2.690 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.196 0.763 1.400 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.070 2.452 3.030 1.00 0.00 C ATOM 0 H VAL A 47 -7.242 1.885 1.439 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.282 -0.724 2.433 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.436 0.473 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.206 1.208 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.096 -0.305 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.728 1.235 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.068 2.874 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.626 2.970 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.585 2.574 3.983 1.00 0.00 H new ATOM 758 N THR A 48 -8.468 0.581 3.791 1.00 0.00 N ATOM 759 CA THR A 48 -9.314 0.818 4.954 1.00 0.00 C ATOM 760 C THR A 48 -9.668 -0.490 5.652 1.00 0.00 C ATOM 761 O THR A 48 -9.816 -0.533 6.874 1.00 0.00 O ATOM 762 CB THR A 48 -10.613 1.548 4.565 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.273 0.844 3.508 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.321 2.975 4.126 1.00 0.00 C ATOM 0 H THR A 48 -8.979 0.389 2.930 1.00 0.00 H new ATOM 0 HA THR A 48 -8.743 1.448 5.637 1.00 0.00 H new ATOM 0 HB THR A 48 -11.262 1.580 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.952 1.175 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.254 3.471 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.845 3.517 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.655 2.961 3.264 1.00 0.00 H new ATOM 772 N ASP A 49 -9.803 -1.554 4.869 1.00 0.00 N ATOM 773 CA ASP A 49 -10.139 -2.865 5.413 1.00 0.00 C ATOM 774 C ASP A 49 -8.886 -3.716 5.595 1.00 0.00 C ATOM 775 O ASP A 49 -8.927 -4.775 6.219 1.00 0.00 O ATOM 776 CB ASP A 49 -11.129 -3.584 4.494 1.00 0.00 C ATOM 777 CG ASP A 49 -12.204 -2.656 3.962 1.00 0.00 C ATOM 778 OD1 ASP A 49 -13.133 -2.325 4.728 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.114 -2.260 2.782 1.00 0.00 O ATOM 0 H ASP A 49 -9.685 -1.535 3.856 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.601 -2.718 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.588 -4.026 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.598 -4.403 5.039 1.00 0.00 H new ATOM 784 N GLY A 50 -7.771 -3.244 5.043 1.00 0.00 N ATOM 785 CA GLY A 50 -6.522 -3.974 5.155 1.00 0.00 C ATOM 786 C GLY A 50 -6.521 -5.250 4.337 1.00 0.00 C ATOM 787 O GLY A 50 -5.525 -5.972 4.300 1.00 0.00 O ATOM 0 H GLY A 50 -7.711 -2.370 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.701 -3.336 4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.339 -4.217 6.202 1.00 0.00 H new ATOM 791 N VAL A 51 -7.643 -5.532 3.681 1.00 0.00 N ATOM 792 CA VAL A 51 -7.768 -6.730 2.860 1.00 0.00 C ATOM 793 C VAL A 51 -6.991 -6.587 1.556 1.00 0.00 C ATOM 794 O VAL A 51 -5.974 -7.252 1.351 1.00 0.00 O ATOM 795 CB VAL A 51 -9.242 -7.036 2.535 1.00 0.00 C ATOM 796 CG1 VAL A 51 -9.342 -8.158 1.513 1.00 0.00 C ATOM 797 CG2 VAL A 51 -10.004 -7.390 3.803 1.00 0.00 C ATOM 0 H VAL A 51 -8.478 -4.947 3.703 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.352 -7.555 3.439 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.694 -6.143 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.391 -8.360 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.832 -7.862 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.875 -9.058 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.044 -7.603 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.554 -8.269 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.961 -6.552 4.499 1.00 0.00 H new ATOM 807 N LEU A 52 -7.475 -5.716 0.678 1.00 0.00 N ATOM 808 CA LEU A 52 -6.825 -5.484 -0.607 1.00 0.00 C ATOM 809 C LEU A 52 -5.369 -5.072 -0.415 1.00 0.00 C ATOM 810 O LEU A 52 -4.499 -5.437 -1.208 1.00 0.00 O ATOM 811 CB LEU A 52 -7.573 -4.405 -1.392 1.00 0.00 C ATOM 812 CG LEU A 52 -7.514 -4.521 -2.916 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.322 -3.410 -3.567 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.072 -4.488 -3.398 1.00 0.00 C ATOM 0 H LEU A 52 -8.315 -5.159 0.832 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.848 -6.417 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.619 -4.421 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.173 -3.432 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.950 -5.477 -3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.268 -3.509 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.362 -3.481 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.916 -2.443 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.050 -4.572 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.609 -3.548 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.522 -5.320 -2.959 1.00 0.00 H new ATOM 826 N LEU A 53 -5.110 -4.311 0.643 1.00 0.00 N ATOM 827 CA LEU A 53 -3.758 -3.851 0.941 1.00 0.00 C ATOM 828 C LEU A 53 -2.779 -5.020 0.974 1.00 0.00 C ATOM 829 O LEU A 53 -1.809 -5.052 0.217 1.00 0.00 O ATOM 830 CB LEU A 53 -3.734 -3.113 2.281 1.00 0.00 C ATOM 831 CG LEU A 53 -2.373 -3.025 2.974 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.336 -2.423 2.039 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.479 -2.209 4.254 1.00 0.00 C ATOM 0 H LEU A 53 -5.818 -4.000 1.308 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.451 -3.167 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.105 -2.100 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.433 -3.606 2.957 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.053 -4.034 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.374 -2.368 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.241 -3.048 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.649 -1.421 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.502 -2.157 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.821 -1.202 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.190 -2.683 4.930 1.00 0.00 H new ATOM 845 N ALA A 54 -3.042 -5.981 1.854 1.00 0.00 N ATOM 846 CA ALA A 54 -2.186 -7.154 1.982 1.00 0.00 C ATOM 847 C ALA A 54 -1.998 -7.846 0.636 1.00 0.00 C ATOM 848 O ALA A 54 -0.880 -8.193 0.258 1.00 0.00 O ATOM 849 CB ALA A 54 -2.770 -8.124 2.999 1.00 0.00 C ATOM 0 H ALA A 54 -3.841 -5.970 2.488 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.208 -6.823 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.121 -8.996 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.847 -7.632 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.761 -8.440 2.673 1.00 0.00 H new ATOM 855 N GLN A 55 -3.099 -8.043 -0.082 1.00 0.00 N ATOM 856 CA GLN A 55 -3.054 -8.694 -1.386 1.00 0.00 C ATOM 857 C GLN A 55 -1.862 -8.201 -2.200 1.00 0.00 C ATOM 858 O GLN A 55 -1.338 -8.921 -3.050 1.00 0.00 O ATOM 859 CB GLN A 55 -4.352 -8.438 -2.153 1.00 0.00 C ATOM 860 CG GLN A 55 -5.595 -8.919 -1.422 1.00 0.00 C ATOM 861 CD GLN A 55 -6.756 -9.189 -2.359 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.232 -10.320 -2.466 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.218 -8.150 -3.045 1.00 0.00 N ATOM 0 H GLN A 55 -4.033 -7.761 0.217 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.942 -9.766 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.445 -7.369 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.296 -8.934 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.358 -9.829 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.892 -8.170 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.793 -7.230 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.997 -8.272 -3.692 1.00 0.00 H new ATOM 872 N ILE A 56 -1.441 -6.969 -1.935 1.00 0.00 N ATOM 873 CA ILE A 56 -0.311 -6.380 -2.643 1.00 0.00 C ATOM 874 C ILE A 56 0.998 -6.644 -1.907 1.00 0.00 C ATOM 875 O ILE A 56 1.983 -7.076 -2.506 1.00 0.00 O ATOM 876 CB ILE A 56 -0.489 -4.861 -2.822 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.776 -4.563 -3.593 1.00 0.00 C ATOM 878 CG2 ILE A 56 0.714 -4.267 -3.540 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.410 -3.240 -3.223 1.00 0.00 C ATOM 0 H ILE A 56 -1.865 -6.360 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.274 -6.852 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.563 -4.401 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.559 -4.566 -4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.493 -5.364 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.573 -3.193 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.615 -4.452 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.817 -4.730 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.318 -3.095 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.659 -3.240 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.711 -2.430 -3.432 1.00 0.00 H new ATOM 891 N ILE A 57 1.000 -6.384 -0.604 1.00 0.00 N ATOM 892 CA ILE A 57 2.187 -6.596 0.215 1.00 0.00 C ATOM 893 C ILE A 57 2.704 -8.024 0.074 1.00 0.00 C ATOM 894 O ILE A 57 3.863 -8.242 -0.278 1.00 0.00 O ATOM 895 CB ILE A 57 1.904 -6.310 1.702 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.369 -4.887 1.877 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.164 -6.514 2.530 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.011 -4.548 3.307 1.00 0.00 C ATOM 0 H ILE A 57 0.193 -6.026 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 57 2.945 -5.900 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 57 1.145 -7.009 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.118 -4.180 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.487 -4.760 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.948 -6.308 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.505 -7.544 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.943 -5.836 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.639 -3.525 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.240 -5.232 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.896 -4.643 3.936 1.00 0.00 H new ATOM 910 N GLN A 58 1.836 -8.992 0.348 1.00 0.00 N ATOM 911 CA GLN A 58 2.205 -10.399 0.249 1.00 0.00 C ATOM 912 C GLN A 58 2.898 -10.688 -1.078 1.00 0.00 C ATOM 913 O GLN A 58 3.751 -11.572 -1.165 1.00 0.00 O ATOM 914 CB GLN A 58 0.966 -11.285 0.395 1.00 0.00 C ATOM 915 CG GLN A 58 0.348 -11.243 1.783 1.00 0.00 C ATOM 916 CD GLN A 58 -1.045 -11.840 1.820 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.026 -11.141 2.075 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.139 -13.140 1.565 1.00 0.00 N ATOM 0 H GLN A 58 0.873 -8.828 0.640 1.00 0.00 H new ATOM 0 HA GLN A 58 2.901 -10.624 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.219 -10.974 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.235 -12.314 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.990 -11.784 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.305 -10.209 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.299 -13.681 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.051 -13.597 1.576 1.00 0.00 H new ATOM 927 N VAL A 59 2.526 -9.938 -2.110 1.00 0.00 N ATOM 928 CA VAL A 59 3.112 -10.114 -3.434 1.00 0.00 C ATOM 929 C VAL A 59 4.507 -9.503 -3.502 1.00 0.00 C ATOM 930 O VAL A 59 5.501 -10.214 -3.654 1.00 0.00 O ATOM 931 CB VAL A 59 2.232 -9.479 -4.526 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.886 -9.627 -5.892 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.844 -10.101 -4.520 1.00 0.00 C ATOM 0 H VAL A 59 1.821 -9.202 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 59 3.179 -11.187 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 59 2.129 -8.415 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.250 -9.172 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.856 -9.130 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.021 -10.685 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.235 -9.640 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.924 -11.172 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.376 -9.937 -3.549 1.00 0.00 H new ATOM 943 N VAL A 60 4.575 -8.180 -3.388 1.00 0.00 N ATOM 944 CA VAL A 60 5.849 -7.473 -3.435 1.00 0.00 C ATOM 945 C VAL A 60 6.831 -8.042 -2.418 1.00 0.00 C ATOM 946 O VAL A 60 8.046 -7.962 -2.601 1.00 0.00 O ATOM 947 CB VAL A 60 5.665 -5.967 -3.167 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.939 -5.744 -1.849 1.00 0.00 C ATOM 949 CG2 VAL A 60 7.010 -5.257 -3.171 1.00 0.00 C ATOM 0 H VAL A 60 3.762 -7.577 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 60 6.250 -7.610 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 60 5.055 -5.545 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.818 -4.675 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.958 -6.218 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.520 -6.179 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.861 -4.194 -2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.647 -5.679 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.488 -5.388 -4.142 1.00 0.00 H new ATOM 959 N ALA A 61 6.298 -8.619 -1.346 1.00 0.00 N ATOM 960 CA ALA A 61 7.128 -9.205 -0.301 1.00 0.00 C ATOM 961 C ALA A 61 7.272 -10.710 -0.494 1.00 0.00 C ATOM 962 O ALA A 61 8.154 -11.338 0.089 1.00 0.00 O ATOM 963 CB ALA A 61 6.543 -8.900 1.070 1.00 0.00 C ATOM 0 H ALA A 61 5.295 -8.693 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 61 8.121 -8.760 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.173 -9.344 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.498 -7.821 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.538 -9.317 1.138 1.00 0.00 H new ATOM 969 N ASN A 62 6.400 -11.283 -1.317 1.00 0.00 N ATOM 970 CA ASN A 62 6.430 -12.716 -1.586 1.00 0.00 C ATOM 971 C ASN A 62 6.210 -13.515 -0.305 1.00 0.00 C ATOM 972 O ASN A 62 6.729 -14.620 -0.155 1.00 0.00 O ATOM 973 CB ASN A 62 7.765 -13.109 -2.222 1.00 0.00 C ATOM 974 CG ASN A 62 8.229 -12.103 -3.258 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.550 -11.867 -4.258 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.392 -11.507 -3.023 1.00 0.00 N ATOM 0 H ASN A 62 5.664 -10.777 -1.809 1.00 0.00 H new ATOM 0 HA ASN A 62 5.622 -12.947 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.522 -13.201 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.668 -14.089 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.757 -10.822 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.920 -11.734 -2.181 1.00 0.00 H new ATOM 983 N GLU A 63 5.437 -12.946 0.615 1.00 0.00 N ATOM 984 CA GLU A 63 5.149 -13.606 1.884 1.00 0.00 C ATOM 985 C GLU A 63 3.649 -13.615 2.164 1.00 0.00 C ATOM 986 O GLU A 63 2.887 -12.864 1.554 1.00 0.00 O ATOM 987 CB GLU A 63 5.888 -12.907 3.027 1.00 0.00 C ATOM 988 CG GLU A 63 6.255 -13.836 4.172 1.00 0.00 C ATOM 989 CD GLU A 63 7.202 -14.942 3.746 1.00 0.00 C ATOM 990 OE1 GLU A 63 6.715 -16.005 3.310 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.431 -14.742 3.849 1.00 0.00 O ATOM 0 H GLU A 63 5.000 -12.031 0.506 1.00 0.00 H new ATOM 0 HA GLU A 63 5.495 -14.637 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.797 -12.450 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.265 -12.099 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.716 -13.256 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.347 -14.278 4.581 1.00 0.00 H new ATOM 998 N LYS A 64 3.231 -14.470 3.091 1.00 0.00 N ATOM 999 CA LYS A 64 1.824 -14.579 3.454 1.00 0.00 C ATOM 1000 C LYS A 64 1.592 -14.100 4.884 1.00 0.00 C ATOM 1001 O LYS A 64 2.362 -14.425 5.789 1.00 0.00 O ATOM 1002 CB LYS A 64 1.347 -16.025 3.306 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.011 -16.286 3.935 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.756 -17.396 3.213 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.578 -16.852 2.054 1.00 0.00 C ATOM 1006 NZ LYS A 64 -1.922 -17.917 1.071 1.00 0.00 N ATOM 0 H LYS A 64 3.848 -15.098 3.605 1.00 0.00 H new ATOM 0 HA LYS A 64 1.251 -13.944 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.302 -16.277 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.082 -16.689 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.118 -16.555 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.605 -15.373 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.043 -18.132 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.411 -17.912 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.494 -16.402 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.020 -16.061 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.482 -17.507 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.048 -18.329 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.476 -18.660 1.543 1.00 0.00 H new ATOM 1020 N ILE A 65 0.529 -13.328 5.080 1.00 0.00 N ATOM 1021 CA ILE A 65 0.196 -12.808 6.401 1.00 0.00 C ATOM 1022 C ILE A 65 -0.957 -13.587 7.024 1.00 0.00 C ATOM 1023 O ILE A 65 -2.116 -13.398 6.656 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.181 -11.316 6.339 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.842 -10.543 5.504 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.275 -10.735 7.742 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.375 -9.160 5.106 1.00 0.00 C ATOM 0 H ILE A 65 -0.117 -13.049 4.341 1.00 0.00 H new ATOM 0 HA ILE A 65 1.086 -12.924 7.020 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.156 -11.222 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.770 -10.456 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.070 -11.114 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.542 -9.680 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.038 -11.271 8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.687 -10.837 8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.150 -8.670 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.536 -9.240 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.174 -8.572 6.002 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.630 -14.462 7.970 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.640 -15.269 8.645 1.00 0.00 C ATOM 1041 C GLU A 66 -2.412 -14.434 9.662 1.00 0.00 C ATOM 1042 O GLU A 66 -3.448 -14.861 10.173 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.987 -16.465 9.340 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.018 -17.230 8.455 1.00 0.00 C ATOM 1045 CD GLU A 66 -0.692 -18.341 7.674 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -0.857 -19.444 8.236 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -1.055 -18.108 6.502 1.00 0.00 O ATOM 0 H GLU A 66 0.325 -14.630 8.286 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.340 -15.633 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.457 -16.115 10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.767 -17.145 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.456 -16.538 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.774 -17.654 9.072 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.900 -13.243 9.952 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.541 -12.348 10.908 1.00 0.00 C ATOM 1056 C ASP A 67 -3.508 -11.402 10.203 1.00 0.00 C ATOM 1057 O ASP A 67 -3.655 -10.244 10.594 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.488 -11.544 11.672 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.828 -12.352 12.772 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -1.557 -12.991 13.559 1.00 0.00 O ATOM 1061 OD2 ASP A 67 0.419 -12.348 12.844 1.00 0.00 O ATOM 0 H ASP A 67 -1.043 -12.875 9.539 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.106 -12.956 11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.726 -11.194 10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.954 -10.659 12.105 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.163 -11.903 9.161 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.116 -11.102 8.402 1.00 0.00 C ATOM 1068 C ILE A 68 -6.532 -11.647 8.549 1.00 0.00 C ATOM 1069 O ILE A 68 -6.783 -12.826 8.303 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.747 -11.057 6.907 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.357 -10.446 6.720 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.789 -10.267 6.128 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.275 -8.993 7.135 1.00 0.00 C ATOM 0 H ILE A 68 -4.051 -12.859 8.823 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.075 -10.092 8.809 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.729 -12.076 6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.635 -11.022 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.068 -10.533 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.515 -10.244 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.764 -10.742 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.836 -9.248 6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.261 -8.626 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.972 -8.404 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.532 -8.901 8.190 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.455 -10.779 8.950 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.848 -11.172 9.128 1.00 0.00 C ATOM 1087 C ASN A 69 -9.424 -11.738 7.834 1.00 0.00 C ATOM 1088 O ASN A 69 -9.673 -12.937 7.724 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.683 -9.976 9.591 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.999 -10.396 10.216 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.054 -11.353 10.989 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -12.067 -9.681 9.883 1.00 0.00 N ATOM 0 H ASN A 69 -7.263 -9.799 9.158 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.885 -11.949 9.891 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.110 -9.395 10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.880 -9.323 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.980 -9.917 10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.974 -8.896 9.238 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.633 -10.864 6.853 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.177 -11.294 5.579 1.00 0.00 C ATOM 1101 C GLY A 70 -11.574 -10.759 5.334 1.00 0.00 C ATOM 1102 O GLY A 70 -11.873 -10.257 4.250 1.00 0.00 O ATOM 0 H GLY A 70 -9.435 -9.866 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.519 -10.963 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.198 -12.383 5.545 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.432 -10.866 6.343 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.806 -10.391 6.231 1.00 0.00 C ATOM 1108 C CYS A 71 -14.204 -9.584 7.463 1.00 0.00 C ATOM 1109 O CYS A 71 -14.847 -10.087 8.384 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.763 -11.570 6.049 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.922 -12.134 4.338 1.00 0.00 S ATOM 0 H CYS A 71 -12.200 -11.277 7.247 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.870 -9.743 5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.419 -12.402 6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.748 -11.285 6.420 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.750 -13.135 4.286 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.812 -8.301 7.482 1.00 0.00 N ATOM 1118 CA PRO A 72 -14.116 -7.397 8.595 1.00 0.00 C ATOM 1119 C PRO A 72 -15.598 -7.047 8.670 1.00 0.00 C ATOM 1120 O PRO A 72 -16.252 -6.843 7.647 1.00 0.00 O ATOM 1121 CB PRO A 72 -13.288 -6.149 8.275 1.00 0.00 C ATOM 1122 CG PRO A 72 -13.113 -6.181 6.796 1.00 0.00 C ATOM 1123 CD PRO A 72 -13.044 -7.634 6.417 1.00 0.00 C ATOM 0 HA PRO A 72 -13.881 -7.846 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.800 -5.241 8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.327 -6.169 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.945 -5.686 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.204 -5.657 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.480 -7.814 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.015 -7.991 6.380 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.124 -6.980 9.888 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.530 -6.653 10.099 1.00 0.00 C ATOM 1133 C LYS A 73 -17.681 -5.540 11.131 1.00 0.00 C ATOM 1134 O LYS A 73 -18.598 -4.724 11.047 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.300 -7.894 10.554 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.547 -8.899 9.442 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.683 -9.847 9.789 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.824 -10.951 8.752 1.00 0.00 C ATOM 1139 NZ LYS A 73 -20.679 -12.067 9.243 1.00 0.00 N ATOM 0 H LYS A 73 -15.598 -7.148 10.745 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.943 -6.304 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.746 -8.381 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.258 -7.584 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.782 -8.370 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.638 -9.471 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.504 -10.288 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.617 -9.289 9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.254 -10.539 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.837 -11.336 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.750 -12.799 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.256 -12.477 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.629 -11.705 9.465 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.775 -5.513 12.102 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.808 -4.500 13.150 1.00 0.00 C ATOM 1155 C ASN A 74 -15.925 -3.310 12.785 1.00 0.00 C ATOM 1156 O ASN A 74 -15.146 -3.372 11.833 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.351 -5.098 14.482 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.485 -5.766 15.236 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.337 -6.426 14.640 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.501 -5.596 16.553 1.00 0.00 N ATOM 0 H ASN A 74 -16.009 -6.181 12.185 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.836 -4.151 13.250 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.562 -5.827 14.298 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.920 -4.311 15.101 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.240 -6.021 17.113 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.774 -5.041 17.004 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.052 -2.229 13.548 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.266 -1.026 13.304 1.00 0.00 C ATOM 1169 C ARG A 75 -13.803 -1.246 13.679 1.00 0.00 C ATOM 1170 O ARG A 75 -12.906 -0.628 13.107 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.836 0.151 14.099 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.845 -0.077 15.601 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.553 0.403 16.245 1.00 0.00 C ATOM 1174 NE ARG A 75 -14.489 0.062 17.664 1.00 0.00 N ATOM 1175 CZ ARG A 75 -15.088 0.768 18.617 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -15.792 1.847 18.304 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -14.983 0.394 19.885 1.00 0.00 N ATOM 0 H ARG A 75 -16.691 -2.162 14.340 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.320 -0.797 12.240 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.251 1.044 13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.855 0.346 13.763 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.691 0.448 16.045 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.984 -1.138 15.808 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.703 -0.041 15.727 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.469 1.483 16.128 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.955 -0.763 17.938 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.875 2.137 17.330 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.251 2.387 19.038 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.442 -0.436 20.129 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.443 0.936 20.616 1.00 0.00 H new ATOM 1191 N SER A 76 -13.572 -2.130 14.644 1.00 0.00 N ATOM 1192 CA SER A 76 -12.219 -2.429 15.099 1.00 0.00 C ATOM 1193 C SER A 76 -11.618 -3.579 14.297 1.00 0.00 C ATOM 1194 O SER A 76 -10.442 -3.550 13.936 1.00 0.00 O ATOM 1195 CB SER A 76 -12.225 -2.779 16.588 1.00 0.00 C ATOM 1196 OG SER A 76 -12.861 -4.025 16.817 1.00 0.00 O ATOM 0 H SER A 76 -14.304 -2.652 15.126 1.00 0.00 H new ATOM 0 HA SER A 76 -11.605 -1.541 14.944 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.201 -2.816 16.960 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.739 -1.997 17.147 1.00 0.00 H new ATOM 0 HG SER A 76 -12.850 -4.226 17.776 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.435 -4.591 14.022 1.00 0.00 N ATOM 1203 CA GLN A 77 -11.984 -5.752 13.264 1.00 0.00 C ATOM 1204 C GLN A 77 -10.994 -5.342 12.178 1.00 0.00 C ATOM 1205 O GLN A 77 -9.995 -6.022 11.947 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.178 -6.473 12.636 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.796 -7.528 13.539 1.00 0.00 C ATOM 1208 CD GLN A 77 -13.149 -8.889 13.375 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.939 -8.993 13.171 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.954 -9.941 13.463 1.00 0.00 N ATOM 0 H GLN A 77 -13.412 -4.630 14.313 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.480 -6.430 13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.940 -5.738 12.376 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.859 -6.944 11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.706 -7.210 14.578 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.861 -7.608 13.322 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.951 -9.808 13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.576 -10.883 13.361 1.00 0.00 H new ATOM 1219 N MET A 78 -11.280 -4.226 11.515 1.00 0.00 N ATOM 1220 CA MET A 78 -10.413 -3.725 10.454 1.00 0.00 C ATOM 1221 C MET A 78 -9.035 -3.369 11.001 1.00 0.00 C ATOM 1222 O MET A 78 -8.013 -3.789 10.455 1.00 0.00 O ATOM 1223 CB MET A 78 -11.043 -2.500 9.788 1.00 0.00 C ATOM 1224 CG MET A 78 -12.241 -2.832 8.914 1.00 0.00 C ATOM 1225 SD MET A 78 -13.048 -1.361 8.253 1.00 0.00 S ATOM 1226 CE MET A 78 -14.769 -1.755 8.554 1.00 0.00 C ATOM 0 H MET A 78 -12.104 -3.652 11.693 1.00 0.00 H new ATOM 0 HA MET A 78 -10.296 -4.514 9.711 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.351 -1.795 10.560 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.289 -1.998 9.181 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.919 -3.467 8.089 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.962 -3.407 9.495 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.397 -0.938 8.198 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.031 -2.671 8.024 1.00 0.00 H new ATOM 0 HE3 MET A 78 -14.928 -1.896 9.623 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.013 -2.594 12.079 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.759 -2.183 12.699 1.00 0.00 C ATOM 1238 C ILE A 79 -6.730 -3.308 12.655 1.00 0.00 C ATOM 1239 O ILE A 79 -5.619 -3.126 12.159 1.00 0.00 O ATOM 1240 CB ILE A 79 -7.969 -1.751 14.162 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -8.881 -0.525 14.229 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.631 -1.460 14.826 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.398 0.635 13.387 1.00 0.00 C ATOM 0 H ILE A 79 -9.849 -2.238 12.542 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.388 -1.332 12.128 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.450 -2.568 14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.882 -0.808 13.902 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.964 -0.201 15.266 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.796 -1.156 15.860 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.012 -2.357 14.806 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.125 -0.658 14.288 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.093 1.469 13.483 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.410 0.945 13.728 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.342 0.328 12.343 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.109 -4.470 13.177 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.218 -5.625 13.196 1.00 0.00 C ATOM 1257 C GLU A 80 -5.660 -5.905 11.804 1.00 0.00 C ATOM 1258 O GLU A 80 -4.465 -6.147 11.640 1.00 0.00 O ATOM 1259 CB GLU A 80 -6.958 -6.858 13.719 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.242 -6.811 15.211 1.00 0.00 C ATOM 1261 CD GLU A 80 -5.976 -6.797 16.046 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -5.328 -7.858 16.157 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.634 -5.725 16.587 1.00 0.00 O ATOM 0 H GLU A 80 -8.026 -4.637 13.592 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.386 -5.399 13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.901 -6.961 13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.367 -7.747 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.832 -5.922 15.437 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.847 -7.674 15.489 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.536 -5.871 10.804 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.131 -6.122 9.425 1.00 0.00 C ATOM 1272 C ASN A 81 -4.935 -5.255 9.043 1.00 0.00 C ATOM 1273 O ASN A 81 -3.855 -5.767 8.746 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.297 -5.850 8.473 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.516 -6.693 8.796 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.693 -7.140 9.930 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.365 -6.913 7.799 1.00 0.00 N ATOM 0 H ASN A 81 -7.529 -5.672 10.923 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.839 -7.169 9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.565 -4.795 8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.981 -6.050 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -10.203 -7.472 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.179 -6.523 6.875 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.136 -3.942 9.053 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.074 -3.005 8.709 1.00 0.00 C ATOM 1286 C ILE A 82 -2.884 -3.153 9.650 1.00 0.00 C ATOM 1287 O ILE A 82 -1.730 -3.062 9.229 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.572 -1.548 8.754 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.805 -1.380 7.864 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.466 -0.597 8.321 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.722 -0.263 8.308 1.00 0.00 C ATOM 0 H ILE A 82 -6.024 -3.503 9.295 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.761 -3.242 7.692 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.852 -1.306 9.779 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.481 -1.189 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.364 -2.315 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.833 0.429 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.613 -0.702 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.159 -0.836 7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.575 -0.202 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.075 -0.463 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.178 0.682 8.293 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.171 -3.383 10.927 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.125 -3.547 11.929 1.00 0.00 C ATOM 1305 C ASP A 83 -1.185 -4.688 11.551 1.00 0.00 C ATOM 1306 O ASP A 83 0.036 -4.535 11.582 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.742 -3.813 13.303 1.00 0.00 C ATOM 1308 CG ASP A 83 -1.859 -3.329 14.437 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.315 -2.211 14.330 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.712 -4.070 15.432 1.00 0.00 O ATOM 0 H ASP A 83 -4.120 -3.460 11.292 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.548 -2.623 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.711 -3.319 13.365 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.921 -4.882 13.417 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.762 -5.831 11.196 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.976 -6.996 10.811 1.00 0.00 C ATOM 1317 C ALA A 84 0.031 -6.644 9.721 1.00 0.00 C ATOM 1318 O ALA A 84 1.180 -7.085 9.759 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.890 -8.119 10.345 1.00 0.00 C ATOM 0 H ALA A 84 -2.771 -5.975 11.167 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.421 -7.334 11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.289 -8.983 10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.566 -8.397 11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.471 -7.783 9.486 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.408 -5.850 8.751 1.00 0.00 N ATOM 1326 CA CYS A 85 0.455 -5.440 7.649 1.00 0.00 C ATOM 1327 C CYS A 85 1.601 -4.568 8.151 1.00 0.00 C ATOM 1328 O CYS A 85 2.739 -4.699 7.700 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.354 -4.684 6.595 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.788 -5.592 5.972 1.00 0.00 S ATOM 0 H CYS A 85 -1.356 -5.477 8.705 1.00 0.00 H new ATOM 0 HA CYS A 85 0.877 -6.338 7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.693 -3.740 7.021 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.299 -4.440 5.758 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.659 -5.735 6.926 1.00 0.00 H new ATOM 1336 N LEU A 86 1.292 -3.676 9.086 1.00 0.00 N ATOM 1337 CA LEU A 86 2.296 -2.779 9.649 1.00 0.00 C ATOM 1338 C LEU A 86 3.324 -3.556 10.465 1.00 0.00 C ATOM 1339 O LEU A 86 4.527 -3.337 10.336 1.00 0.00 O ATOM 1340 CB LEU A 86 1.627 -1.719 10.526 1.00 0.00 C ATOM 1341 CG LEU A 86 0.544 -0.876 9.852 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.254 -0.103 10.890 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.163 0.074 8.836 1.00 0.00 C ATOM 0 H LEU A 86 0.355 -3.554 9.470 1.00 0.00 H new ATOM 0 HA LEU A 86 2.811 -2.287 8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.187 -2.216 11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.399 -1.048 10.903 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.136 -1.546 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.020 0.491 10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.728 -0.802 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.413 0.557 11.445 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.378 0.666 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.866 0.738 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.689 -0.501 8.074 1.00 0.00 H new ATOM 1355 N ASN A 87 2.840 -4.466 11.304 1.00 0.00 N ATOM 1356 CA ASN A 87 3.716 -5.278 12.140 1.00 0.00 C ATOM 1357 C ASN A 87 4.544 -6.237 11.290 1.00 0.00 C ATOM 1358 O ASN A 87 5.700 -6.522 11.604 1.00 0.00 O ATOM 1359 CB ASN A 87 2.895 -6.064 13.164 1.00 0.00 C ATOM 1360 CG ASN A 87 2.221 -5.163 14.180 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.861 -4.665 15.106 1.00 0.00 O ATOM 1362 ND2 ASN A 87 0.921 -4.949 14.010 1.00 0.00 N ATOM 0 H ASN A 87 1.846 -4.659 11.423 1.00 0.00 H new ATOM 0 HA ASN A 87 4.396 -4.609 12.667 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.138 -6.651 12.645 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.545 -6.769 13.682 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.413 -4.351 14.662 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.431 -5.383 13.228 1.00 0.00 H new ATOM 1369 N PHE A 88 3.944 -6.732 10.213 1.00 0.00 N ATOM 1370 CA PHE A 88 4.625 -7.660 9.317 1.00 0.00 C ATOM 1371 C PHE A 88 5.767 -6.966 8.581 1.00 0.00 C ATOM 1372 O PHE A 88 6.857 -7.522 8.438 1.00 0.00 O ATOM 1373 CB PHE A 88 3.635 -8.248 8.309 1.00 0.00 C ATOM 1374 CG PHE A 88 4.293 -8.804 7.078 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.740 -7.960 6.074 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.463 -10.170 6.925 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.345 -8.468 4.941 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.068 -10.684 5.794 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.509 -9.832 4.800 1.00 0.00 C ATOM 0 H PHE A 88 2.988 -6.506 9.939 1.00 0.00 H new ATOM 0 HA PHE A 88 5.042 -8.467 9.919 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.062 -9.038 8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.926 -7.474 8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.614 -6.893 6.179 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.119 -10.841 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.689 -7.799 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.196 -11.751 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.981 -10.232 3.915 1.00 0.00 H new ATOM 1389 N LEU A 89 5.509 -5.749 8.115 1.00 0.00 N ATOM 1390 CA LEU A 89 6.515 -4.978 7.392 1.00 0.00 C ATOM 1391 C LEU A 89 7.672 -4.597 8.310 1.00 0.00 C ATOM 1392 O LEU A 89 8.835 -4.642 7.910 1.00 0.00 O ATOM 1393 CB LEU A 89 5.887 -3.718 6.794 1.00 0.00 C ATOM 1394 CG LEU A 89 4.979 -3.930 5.582 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.524 -2.595 5.016 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.694 -4.748 4.517 1.00 0.00 C ATOM 0 H LEU A 89 4.613 -5.275 8.225 1.00 0.00 H new ATOM 0 HA LEU A 89 6.905 -5.600 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.309 -3.220 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.689 -3.038 6.507 1.00 0.00 H new ATOM 0 HG LEU A 89 4.097 -4.483 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.879 -2.766 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.972 -2.045 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.394 -2.015 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.033 -4.889 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.594 -4.222 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.968 -5.720 4.928 1.00 0.00 H new ATOM 1408 N ALA A 90 7.345 -4.224 9.543 1.00 0.00 N ATOM 1409 CA ALA A 90 8.357 -3.840 10.519 1.00 0.00 C ATOM 1410 C ALA A 90 9.424 -4.920 10.658 1.00 0.00 C ATOM 1411 O ALA A 90 10.614 -4.623 10.750 1.00 0.00 O ATOM 1412 CB ALA A 90 7.710 -3.557 11.866 1.00 0.00 C ATOM 0 H ALA A 90 6.387 -4.180 9.890 1.00 0.00 H new ATOM 0 HA ALA A 90 8.843 -2.931 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.477 -3.271 12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.991 -2.745 11.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.197 -4.452 12.219 1.00 0.00 H new ATOM 1418 N ALA A 91 8.989 -6.176 10.673 1.00 0.00 N ATOM 1419 CA ALA A 91 9.907 -7.301 10.800 1.00 0.00 C ATOM 1420 C ALA A 91 10.866 -7.363 9.616 1.00 0.00 C ATOM 1421 O ALA A 91 11.829 -8.130 9.623 1.00 0.00 O ATOM 1422 CB ALA A 91 9.131 -8.604 10.922 1.00 0.00 C ATOM 0 H ALA A 91 8.006 -6.440 10.599 1.00 0.00 H new ATOM 0 HA ALA A 91 10.497 -7.156 11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.829 -9.436 11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.491 -8.565 11.804 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.516 -8.746 10.034 1.00 0.00 H new ATOM 1428 N LYS A 92 10.596 -6.552 8.599 1.00 0.00 N ATOM 1429 CA LYS A 92 11.435 -6.514 7.407 1.00 0.00 C ATOM 1430 C LYS A 92 12.434 -5.363 7.481 1.00 0.00 C ATOM 1431 O LYS A 92 13.383 -5.301 6.701 1.00 0.00 O ATOM 1432 CB LYS A 92 10.569 -6.370 6.153 1.00 0.00 C ATOM 1433 CG LYS A 92 9.542 -7.478 5.993 1.00 0.00 C ATOM 1434 CD LYS A 92 10.172 -8.748 5.446 1.00 0.00 C ATOM 1435 CE LYS A 92 9.121 -9.805 5.142 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.609 -10.804 4.152 1.00 0.00 N ATOM 0 H LYS A 92 9.802 -5.912 8.576 1.00 0.00 H new ATOM 0 HA LYS A 92 11.989 -7.451 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.054 -5.410 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.215 -6.355 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.078 -7.687 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.749 -7.146 5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.730 -8.517 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.887 -9.141 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.841 -10.314 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.222 -9.323 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.864 -11.507 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.852 -10.322 3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.452 -11.282 4.528 1.00 0.00 H new ATOM 1450 N GLY A 93 12.215 -4.455 8.428 1.00 0.00 N ATOM 1451 CA GLY A 93 13.105 -3.320 8.587 1.00 0.00 C ATOM 1452 C GLY A 93 12.454 -2.012 8.185 1.00 0.00 C ATOM 1453 O GLY A 93 13.142 -1.039 7.874 1.00 0.00 O ATOM 0 H GLY A 93 11.437 -4.486 9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.427 -3.258 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.000 -3.477 7.985 1.00 0.00 H new ATOM 1457 N ILE A 94 11.126 -1.987 8.190 1.00 0.00 N ATOM 1458 CA ILE A 94 10.383 -0.788 7.823 1.00 0.00 C ATOM 1459 C ILE A 94 9.786 -0.113 9.053 1.00 0.00 C ATOM 1460 O ILE A 94 9.286 -0.779 9.958 1.00 0.00 O ATOM 1461 CB ILE A 94 9.252 -1.110 6.828 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.812 -1.837 5.603 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.535 0.166 6.411 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.744 -2.331 4.653 1.00 0.00 C ATOM 0 H ILE A 94 10.542 -2.784 8.444 1.00 0.00 H new ATOM 0 HA ILE A 94 11.092 -0.110 7.348 1.00 0.00 H new ATOM 0 HB ILE A 94 8.532 -1.765 7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.482 -1.165 5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.411 -2.685 5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.738 -0.077 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.108 0.647 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.244 0.843 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.213 -2.836 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.088 -3.028 5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.160 -1.485 4.291 1.00 0.00 H new ATOM 1526 N GLY A 98 5.524 5.436 13.227 1.00 0.00 N ATOM 1527 CA GLY A 98 4.949 6.691 12.782 1.00 0.00 C ATOM 1528 C GLY A 98 3.541 6.526 12.245 1.00 0.00 C ATOM 1529 O GLY A 98 2.667 7.353 12.507 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.937 7.396 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.582 7.122 12.007 1.00 0.00 H new ATOM 1533 N LEU A 99 3.319 5.455 11.490 1.00 0.00 N ATOM 1534 CA LEU A 99 2.007 5.184 10.913 1.00 0.00 C ATOM 1535 C LEU A 99 0.984 4.884 12.003 1.00 0.00 C ATOM 1536 O LEU A 99 1.344 4.623 13.151 1.00 0.00 O ATOM 1537 CB LEU A 99 2.090 4.008 9.938 1.00 0.00 C ATOM 1538 CG LEU A 99 3.143 4.123 8.835 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.168 2.860 7.988 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.874 5.344 7.967 1.00 0.00 C ATOM 0 H LEU A 99 4.031 4.760 11.263 1.00 0.00 H new ATOM 0 HA LEU A 99 1.684 6.074 10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.289 3.102 10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.114 3.881 9.469 1.00 0.00 H new ATOM 0 HG LEU A 99 4.120 4.242 9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.923 2.960 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.408 2.004 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.191 2.710 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.633 5.410 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.889 5.255 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.907 6.243 8.583 1.00 0.00 H new ATOM 1552 N SER A 100 -0.293 4.923 11.636 1.00 0.00 N ATOM 1553 CA SER A 100 -1.369 4.657 12.584 1.00 0.00 C ATOM 1554 C SER A 100 -2.491 3.861 11.923 1.00 0.00 C ATOM 1555 O SER A 100 -3.254 4.394 11.118 1.00 0.00 O ATOM 1556 CB SER A 100 -1.921 5.969 13.143 1.00 0.00 C ATOM 1557 OG SER A 100 -1.047 6.517 14.115 1.00 0.00 O ATOM 0 H SER A 100 -0.608 5.136 10.689 1.00 0.00 H new ATOM 0 HA SER A 100 -0.960 4.065 13.403 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.061 6.683 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.901 5.795 13.587 1.00 0.00 H new ATOM 0 HG SER A 100 -0.214 6.002 14.133 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.583 2.581 12.269 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.612 1.712 11.712 1.00 0.00 C ATOM 1565 C ALA A 101 -4.972 2.401 11.711 1.00 0.00 C ATOM 1566 O ALA A 101 -5.709 2.338 10.727 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.680 0.407 12.492 1.00 0.00 C ATOM 0 H ALA A 101 -1.958 2.123 12.932 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.345 1.492 10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.453 -0.232 12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.717 -0.101 12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.919 0.618 13.534 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.298 3.058 12.820 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.572 3.757 12.946 1.00 0.00 C ATOM 1575 C GLU A 102 -6.719 4.820 11.860 1.00 0.00 C ATOM 1576 O GLU A 102 -7.710 4.842 11.130 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.689 4.405 14.327 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.111 4.789 14.701 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.186 5.534 16.019 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.410 5.197 16.937 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -9.023 6.455 16.133 1.00 0.00 O ATOM 0 H GLU A 102 -4.699 3.121 13.643 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.372 3.026 12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.299 3.716 15.076 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.062 5.296 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.535 5.410 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.723 3.889 14.761 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.725 5.697 11.760 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.745 6.763 10.765 1.00 0.00 C ATOM 1590 C GLU A 103 -5.968 6.196 9.366 1.00 0.00 C ATOM 1591 O GLU A 103 -6.840 6.659 8.629 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.435 7.552 10.805 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.186 8.252 12.130 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.050 9.485 12.311 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.288 9.334 12.389 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.490 10.599 12.374 1.00 0.00 O ATOM 0 H GLU A 103 -4.897 5.690 12.355 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.571 7.433 11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.606 6.874 10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.444 8.295 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.378 7.556 12.946 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.136 8.536 12.194 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.175 5.193 9.007 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.286 4.562 7.697 1.00 0.00 C ATOM 1605 C ILE A 104 -6.721 4.133 7.414 1.00 0.00 C ATOM 1606 O ILE A 104 -7.239 4.349 6.318 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.362 3.335 7.583 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.895 3.768 7.620 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.661 2.565 6.306 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.923 2.627 7.418 1.00 0.00 C ATOM 0 H ILE A 104 -4.448 4.799 9.605 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.980 5.306 6.961 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.548 2.678 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.727 4.519 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.689 4.244 8.579 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.000 1.701 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.698 2.229 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.499 3.213 5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.902 3.007 7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.064 1.886 8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.102 2.164 6.447 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.359 3.525 8.409 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.735 3.066 8.267 1.00 0.00 C ATOM 1624 C ARG A 105 -9.656 4.219 7.878 1.00 0.00 C ATOM 1625 O ARG A 105 -10.598 4.041 7.107 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.220 2.430 9.571 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.705 2.106 9.575 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.096 1.298 10.802 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.532 1.357 11.062 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.116 2.339 11.739 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.392 3.339 12.222 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.429 2.322 11.935 1.00 0.00 N ATOM 0 H ARG A 105 -6.945 3.339 9.322 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.762 2.319 7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.656 1.514 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.002 3.106 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.280 3.031 9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.959 1.547 8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.795 0.260 10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.555 1.673 11.671 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.118 0.603 10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.383 3.356 12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.844 4.091 12.741 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.990 1.554 11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.877 3.077 12.455 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.375 5.401 8.417 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.179 6.583 8.127 1.00 0.00 C ATOM 1648 C ASN A 106 -9.908 7.092 6.715 1.00 0.00 C ATOM 1649 O ASN A 106 -10.709 7.833 6.146 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.885 7.687 9.145 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.619 7.477 10.455 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.837 7.643 10.530 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.880 7.111 11.495 1.00 0.00 N ATOM 0 H ASN A 106 -8.597 5.566 9.056 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.230 6.304 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.812 7.726 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.169 8.651 8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.318 6.956 12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.874 6.985 11.386 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.771 6.689 6.154 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.414 7.114 4.813 1.00 0.00 C ATOM 1662 C GLY A 107 -7.517 8.336 4.811 1.00 0.00 C ATOM 1663 O GLY A 107 -7.270 8.931 3.763 1.00 0.00 O ATOM 0 H GLY A 107 -8.091 6.076 6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.910 6.296 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.322 7.333 4.251 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.029 8.711 5.989 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.156 9.872 6.119 1.00 0.00 C ATOM 1669 C ASN A 108 -4.980 9.779 5.152 1.00 0.00 C ATOM 1670 O ASN A 108 -4.061 8.982 5.348 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.641 9.990 7.555 1.00 0.00 C ATOM 1672 CG ASN A 108 -4.658 11.133 7.725 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -3.446 10.943 7.625 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -5.178 12.327 7.983 1.00 0.00 N ATOM 0 H ASN A 108 -7.223 8.228 6.866 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.736 10.761 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.484 10.136 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -5.160 9.055 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.566 13.134 8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.189 12.438 8.057 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.014 10.600 4.107 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.951 10.612 3.109 1.00 0.00 C ATOM 1683 C LEU A 109 -2.578 10.602 3.774 1.00 0.00 C ATOM 1684 O LEU A 109 -1.773 9.698 3.549 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.084 11.840 2.207 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.297 11.801 0.897 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -3.685 10.580 0.078 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.525 13.076 0.099 1.00 0.00 C ATOM 0 H LEU A 109 -5.766 11.266 3.930 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.047 9.711 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.139 11.979 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.767 12.717 2.772 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.236 11.731 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.115 10.569 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.469 9.676 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.750 10.619 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.957 13.030 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.586 13.178 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.196 13.935 0.684 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.318 11.612 4.597 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.045 11.719 5.300 1.00 0.00 C ATOM 1702 C LYS A 110 -0.612 10.365 5.850 1.00 0.00 C ATOM 1703 O LYS A 110 0.575 10.125 6.073 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.152 12.735 6.439 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.874 14.165 6.008 1.00 0.00 C ATOM 1706 CD LYS A 110 0.605 14.499 6.107 1.00 0.00 C ATOM 1707 CE LYS A 110 0.877 15.943 5.714 1.00 0.00 C ATOM 1708 NZ LYS A 110 0.779 16.863 6.881 1.00 0.00 N ATOM 0 H LYS A 110 -2.973 12.369 4.794 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.293 12.059 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.152 12.682 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.451 12.459 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.213 14.309 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.446 14.852 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.951 14.327 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.174 13.831 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.872 16.019 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.166 16.251 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.971 17.837 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.178 16.810 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.475 16.585 7.602 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.581 9.482 6.067 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.298 8.150 6.588 1.00 0.00 C ATOM 1724 C ALA A 111 -0.982 7.174 5.460 1.00 0.00 C ATOM 1725 O ALA A 111 0.114 6.617 5.398 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.474 7.645 7.411 1.00 0.00 C ATOM 0 H ALA A 111 -2.569 9.665 5.890 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.420 8.217 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.249 6.650 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.652 8.323 8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.364 7.600 6.784 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.949 6.972 4.571 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.773 6.064 3.445 1.00 0.00 C ATOM 1734 C ILE A 112 -0.456 6.332 2.723 1.00 0.00 C ATOM 1735 O ILE A 112 0.335 5.416 2.491 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.931 6.185 2.437 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.244 5.733 3.079 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.636 5.365 1.190 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.976 6.842 3.802 1.00 0.00 C ATOM 0 H ILE A 112 -2.862 7.425 4.609 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.762 5.054 3.854 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.031 7.231 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.894 5.323 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.036 4.927 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.464 5.461 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.720 5.728 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.512 4.317 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.897 6.450 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.344 7.237 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.215 7.639 3.098 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.226 7.592 2.373 1.00 0.00 N ATOM 1752 CA LEU A 113 0.997 7.982 1.679 1.00 0.00 C ATOM 1753 C LEU A 113 2.230 7.487 2.429 1.00 0.00 C ATOM 1754 O LEU A 113 3.116 6.866 1.845 1.00 0.00 O ATOM 1755 CB LEU A 113 1.056 9.503 1.525 1.00 0.00 C ATOM 1756 CG LEU A 113 0.105 10.110 0.494 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.453 11.569 0.240 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.147 9.316 -0.804 1.00 0.00 C ATOM 0 H LEU A 113 -0.870 8.361 2.558 1.00 0.00 H new ATOM 0 HA LEU A 113 0.987 7.523 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.845 9.955 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.075 9.782 1.258 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.909 10.064 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.235 11.984 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.370 12.130 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.474 11.639 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.536 9.763 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.160 9.330 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.152 8.286 -0.610 1.00 0.00 H new ATOM 1770 N GLY A 114 2.278 7.767 3.728 1.00 0.00 N ATOM 1771 CA GLY A 114 3.405 7.341 4.537 1.00 0.00 C ATOM 1772 C GLY A 114 3.654 5.848 4.445 1.00 0.00 C ATOM 1773 O GLY A 114 4.795 5.395 4.538 1.00 0.00 O ATOM 0 H GLY A 114 1.557 8.281 4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.300 7.876 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.225 7.613 5.577 1.00 0.00 H new ATOM 1777 N LEU A 115 2.584 5.082 4.263 1.00 0.00 N ATOM 1778 CA LEU A 115 2.691 3.631 4.160 1.00 0.00 C ATOM 1779 C LEU A 115 3.324 3.224 2.833 1.00 0.00 C ATOM 1780 O LEU A 115 4.377 2.587 2.805 1.00 0.00 O ATOM 1781 CB LEU A 115 1.310 2.987 4.298 1.00 0.00 C ATOM 1782 CG LEU A 115 1.109 1.666 3.555 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.107 0.788 4.289 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.649 1.923 2.127 1.00 0.00 C ATOM 0 H LEU A 115 1.633 5.441 4.184 1.00 0.00 H new ATOM 0 HA LEU A 115 3.331 3.280 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.114 2.819 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.563 3.697 3.944 1.00 0.00 H new ATOM 0 HG LEU A 115 2.064 1.141 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.023 -0.148 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.475 0.576 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.850 1.305 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.511 0.972 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.295 2.468 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.401 2.513 1.603 1.00 0.00 H new ATOM 1796 N PHE A 116 2.676 3.599 1.735 1.00 0.00 N ATOM 1797 CA PHE A 116 3.176 3.275 0.405 1.00 0.00 C ATOM 1798 C PHE A 116 4.508 3.971 0.139 1.00 0.00 C ATOM 1799 O PHE A 116 5.267 3.568 -0.742 1.00 0.00 O ATOM 1800 CB PHE A 116 2.155 3.680 -0.660 1.00 0.00 C ATOM 1801 CG PHE A 116 1.169 2.596 -0.989 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.564 1.473 -1.698 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.154 2.700 -0.588 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.659 0.474 -2.002 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -1.063 1.703 -0.889 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.657 0.589 -1.597 1.00 0.00 C ATOM 0 H PHE A 116 1.804 4.127 1.741 1.00 0.00 H new ATOM 0 HA PHE A 116 3.333 2.197 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.613 4.561 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.684 3.967 -1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.591 1.377 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.478 3.569 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.980 -0.396 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -2.091 1.795 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.366 -0.190 -1.834 1.00 0.00 H new ATOM 1816 N PHE A 117 4.784 5.019 0.908 1.00 0.00 N ATOM 1817 CA PHE A 117 6.023 5.773 0.756 1.00 0.00 C ATOM 1818 C PHE A 117 7.215 4.970 1.270 1.00 0.00 C ATOM 1819 O PHE A 117 8.317 5.059 0.728 1.00 0.00 O ATOM 1820 CB PHE A 117 5.930 7.104 1.504 1.00 0.00 C ATOM 1821 CG PHE A 117 7.263 7.752 1.745 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.135 7.985 0.693 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.646 8.126 3.023 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.363 8.580 0.913 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.873 8.722 3.248 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.732 8.950 2.191 1.00 0.00 C ATOM 0 H PHE A 117 4.167 5.365 1.642 1.00 0.00 H new ATOM 0 HA PHE A 117 6.171 5.970 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.300 7.788 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.437 6.939 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.852 7.699 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.978 7.950 3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.034 8.756 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.159 9.009 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.690 9.417 2.364 1.00 0.00 H new ATOM 1836 N SER A 118 6.986 4.188 2.320 1.00 0.00 N ATOM 1837 CA SER A 118 8.040 3.373 2.911 1.00 0.00 C ATOM 1838 C SER A 118 8.044 1.971 2.310 1.00 0.00 C ATOM 1839 O SER A 118 9.094 1.444 1.939 1.00 0.00 O ATOM 1840 CB SER A 118 7.860 3.290 4.428 1.00 0.00 C ATOM 1841 OG SER A 118 7.798 4.582 5.006 1.00 0.00 O ATOM 0 H SER A 118 6.079 4.102 2.779 1.00 0.00 H new ATOM 0 HA SER A 118 8.997 3.846 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.947 2.741 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.688 2.732 4.866 1.00 0.00 H new ATOM 0 HG SER A 118 6.894 4.945 4.899 1.00 0.00 H new ATOM 1847 N LEU A 119 6.863 1.371 2.217 1.00 0.00 N ATOM 1848 CA LEU A 119 6.728 0.029 1.661 1.00 0.00 C ATOM 1849 C LEU A 119 7.517 -0.105 0.363 1.00 0.00 C ATOM 1850 O LEU A 119 8.398 -0.956 0.245 1.00 0.00 O ATOM 1851 CB LEU A 119 5.254 -0.295 1.411 1.00 0.00 C ATOM 1852 CG LEU A 119 4.974 -1.427 0.422 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.614 -2.722 0.898 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.476 -1.610 0.231 1.00 0.00 C ATOM 0 H LEU A 119 5.985 1.792 2.519 1.00 0.00 H new ATOM 0 HA LEU A 119 7.132 -0.679 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.792 -0.550 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.761 0.607 1.049 1.00 0.00 H new ATOM 0 HG LEU A 119 5.413 -1.160 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.404 -3.516 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.692 -2.585 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.205 -2.994 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.296 -2.420 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.014 -1.854 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.043 -0.687 -0.156 1.00 0.00 H new ATOM 1866 N SER A 120 7.196 0.744 -0.609 1.00 0.00 N ATOM 1867 CA SER A 120 7.874 0.720 -1.899 1.00 0.00 C ATOM 1868 C SER A 120 9.386 0.615 -1.717 1.00 0.00 C ATOM 1869 O SER A 120 10.054 -0.152 -2.411 1.00 0.00 O ATOM 1870 CB SER A 120 7.532 1.976 -2.703 1.00 0.00 C ATOM 1871 OG SER A 120 8.325 2.064 -3.874 1.00 0.00 O ATOM 0 H SER A 120 6.471 1.456 -0.527 1.00 0.00 H new ATOM 0 HA SER A 120 7.529 -0.158 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.477 1.961 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.690 2.861 -2.086 1.00 0.00 H new ATOM 0 HG SER A 120 8.086 2.874 -4.371 1.00 0.00 H new ATOM 1877 N ARG A 121 9.917 1.392 -0.780 1.00 0.00 N ATOM 1878 CA ARG A 121 11.350 1.389 -0.506 1.00 0.00 C ATOM 1879 C ARG A 121 11.843 -0.025 -0.211 1.00 0.00 C ATOM 1880 O ARG A 121 12.821 -0.487 -0.799 1.00 0.00 O ATOM 1881 CB ARG A 121 11.667 2.309 0.674 1.00 0.00 C ATOM 1882 CG ARG A 121 11.162 3.730 0.491 1.00 0.00 C ATOM 1883 CD ARG A 121 11.374 4.563 1.746 1.00 0.00 C ATOM 1884 NE ARG A 121 12.782 4.894 1.952 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.259 5.404 3.082 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.445 5.640 4.102 1.00 0.00 N ATOM 1887 NH2 ARG A 121 14.552 5.678 3.193 1.00 0.00 N ATOM 0 H ARG A 121 9.377 2.032 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 121 11.866 1.757 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.227 1.890 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.746 2.333 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.679 4.196 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.101 3.711 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 121 10.792 5.482 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.000 4.016 2.612 1.00 0.00 H new ATOM 0 HE ARG A 121 13.434 4.724 1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.450 5.430 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 121 12.814 6.032 4.969 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.181 5.497 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 121 14.918 6.070 4.061 1.00 0.00 H new ATOM 1901 N TYR A 122 11.161 -0.705 0.704 1.00 0.00 N ATOM 1902 CA TYR A 122 11.532 -2.064 1.080 1.00 0.00 C ATOM 1903 C TYR A 122 11.800 -2.917 -0.156 1.00 0.00 C ATOM 1904 O TYR A 122 12.546 -3.895 -0.101 1.00 0.00 O ATOM 1905 CB TYR A 122 10.427 -2.701 1.924 1.00 0.00 C ATOM 1906 CG TYR A 122 10.357 -4.206 1.793 1.00 0.00 C ATOM 1907 CD1 TYR A 122 9.689 -4.800 0.730 1.00 0.00 C ATOM 1908 CD2 TYR A 122 10.959 -5.033 2.733 1.00 0.00 C ATOM 1909 CE1 TYR A 122 9.622 -6.175 0.606 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.898 -6.409 2.617 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.229 -6.975 1.552 1.00 0.00 C ATOM 1912 OH TYR A 122 10.165 -8.344 1.434 1.00 0.00 O ATOM 0 H TYR A 122 10.348 -0.337 1.199 1.00 0.00 H new ATOM 0 HA TYR A 122 12.447 -2.014 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.586 -2.443 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.467 -2.274 1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.214 -4.177 -0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.484 -4.593 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.098 -6.620 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.372 -7.038 3.356 1.00 0.00 H new ATOM 0 HH TYR A 122 10.644 -8.759 2.181 1.00 0.00 H new ATOM 1922 N LYS A 123 11.186 -2.539 -1.272 1.00 0.00 N ATOM 1923 CA LYS A 123 11.358 -3.265 -2.525 1.00 0.00 C ATOM 1924 C LYS A 123 12.408 -2.594 -3.404 1.00 0.00 C ATOM 1925 O LYS A 123 13.202 -3.267 -4.061 1.00 0.00 O ATOM 1926 CB LYS A 123 10.028 -3.351 -3.275 1.00 0.00 C ATOM 1927 CG LYS A 123 10.050 -4.319 -4.446 1.00 0.00 C ATOM 1928 CD LYS A 123 10.171 -5.759 -3.976 1.00 0.00 C ATOM 1929 CE LYS A 123 9.656 -6.732 -5.025 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.729 -7.149 -5.969 1.00 0.00 N ATOM 0 H LYS A 123 10.564 -1.733 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 123 11.700 -4.272 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.247 -3.655 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.762 -2.359 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.139 -4.202 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 123 10.886 -4.078 -5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.214 -5.983 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.610 -5.889 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.244 -7.612 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.842 -6.268 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.338 -7.812 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.106 -6.312 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.494 -7.615 -5.441 1.00 0.00 H new ATOM 1944 N GLN A 124 12.406 -1.265 -3.410 1.00 0.00 N ATOM 1945 CA GLN A 124 13.360 -0.504 -4.208 1.00 0.00 C ATOM 1946 C GLN A 124 14.793 -0.880 -3.850 1.00 0.00 C ATOM 1947 O GLN A 124 15.728 -0.574 -4.589 1.00 0.00 O ATOM 1948 CB GLN A 124 13.147 0.997 -4.001 1.00 0.00 C ATOM 1949 CG GLN A 124 11.985 1.563 -4.802 1.00 0.00 C ATOM 1950 CD GLN A 124 12.153 3.038 -5.109 1.00 0.00 C ATOM 1951 OE1 GLN A 124 12.706 3.792 -4.308 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.674 3.459 -6.274 1.00 0.00 N ATOM 0 H GLN A 124 11.755 -0.693 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 124 13.192 -0.747 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.975 1.188 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.059 1.526 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.889 1.010 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.059 1.414 -4.247 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.223 2.800 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.757 4.442 -6.535 1.00 0.00 H new