USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot -13:sc= 0.501 USER MOD Set 1.2: A 48 TYR OH : rot -82:sc= 0.342 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.2: A 83 THR OG1 : rot -58:sc= 1.2 USER MOD Single : A 17 ASN : amide:sc= -1.69! C(o=-1.7!,f=-3.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 73:sc= -0.856 USER MOD Single : A 27 THR OG1 : rot -114:sc= -0.612 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.54! C(o=-1.5!,f=-1.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 36 HIS : no HE2:sc= -2.26 X(o=-2.3,f=-2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.759 K(o=0.76,f=-1.4) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 167:sc= -0.312 (180deg=-0.66) USER MOD Single : A 76 ASN : amide:sc= -5.34! C(o=-5.3!,f=-7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.592 K(o=-0.59,f=-1.9!) USER MOD Single : A 80 ASN : amide:sc=-0.00385 K(o=-0.0038,f=-1.6) USER MOD Single : A 81 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.24) USER MOD Single : A 82 TYR OH : rot 165:sc= -0.0504 USER MOD Single : A 85 HIS : no HD1:sc= -2.81 X(o=-2.8,f=-2.6!) USER MOD Single : A 88 GLN : amide:sc= -0.0629 K(o=-0.063,f=-0.8) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 91 THR OG1 : rot 77:sc= 0.184 USER MOD Single : A 93 TYR OH : rot 0:sc= -1.15 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc=-0.00229 (180deg=-0.246) USER MOD Single : A 101 ASN : amide:sc= -5.6! C(o=-5.6!,f=-20!) USER MOD Single : A 102 GLN :FLIP amide:sc= -2.28 F(o=-3,f=-2.3) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.2 K(o=-0.2,f=-3.9!) USER MOD Single : A 108 SER OG : rot 103:sc= 1.3 USER MOD Single : A 111 THR OG1 : rot -140:sc=-0.000983 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -153:sc= 0.0527 USER MOD Single : A 116 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.221 -16.550 -5.741 1.00 0.00 N ATOM 174 CA ALA A 15 -4.095 -15.099 -5.694 1.00 0.00 C ATOM 175 C ALA A 15 -3.342 -14.654 -4.445 1.00 0.00 C ATOM 176 O ALA A 15 -3.370 -15.313 -3.406 1.00 0.00 O ATOM 177 CB ALA A 15 -5.469 -14.448 -5.745 1.00 0.00 C ATOM 0 HA ALA A 15 -3.522 -14.780 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.360 -13.364 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.972 -14.732 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.061 -14.781 -4.893 1.00 0.00 H new ATOM 183 N PRO A 16 -2.651 -13.508 -4.546 1.00 0.00 N ATOM 184 CA PRO A 16 -1.877 -12.950 -3.434 1.00 0.00 C ATOM 185 C PRO A 16 -2.769 -12.427 -2.312 1.00 0.00 C ATOM 186 O PRO A 16 -3.668 -11.620 -2.546 1.00 0.00 O ATOM 187 CB PRO A 16 -1.104 -11.799 -4.082 1.00 0.00 C ATOM 188 CG PRO A 16 -1.927 -11.406 -5.260 1.00 0.00 C ATOM 189 CD PRO A 16 -2.573 -12.670 -5.755 1.00 0.00 C ATOM 0 HA PRO A 16 -1.239 -13.699 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.980 -10.966 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.105 -12.114 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.678 -10.667 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.308 -10.955 -6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.560 -12.479 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.980 -13.145 -6.536 1.00 0.00 H new ATOM 197 N ASN A 17 -2.513 -12.892 -1.094 1.00 0.00 N ATOM 198 CA ASN A 17 -3.294 -12.471 0.064 1.00 0.00 C ATOM 199 C ASN A 17 -3.358 -10.949 0.153 1.00 0.00 C ATOM 200 O ASN A 17 -2.349 -10.253 0.036 1.00 0.00 O ATOM 201 CB ASN A 17 -2.689 -13.043 1.348 1.00 0.00 C ATOM 202 CG ASN A 17 -1.616 -12.144 1.932 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.900 -11.038 2.392 1.00 0.00 O ATOM 204 ND2 ASN A 17 -0.375 -12.617 1.916 1.00 0.00 N ATOM 0 H ASN A 17 -1.772 -13.560 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.308 -12.853 -0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.479 -13.188 2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.263 -14.025 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.389 -12.058 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.186 -13.540 1.525 1.00 0.00 H new ATOM 211 N PRO A 18 -4.571 -10.420 0.365 1.00 0.00 N ATOM 212 CA PRO A 18 -4.797 -8.975 0.476 1.00 0.00 C ATOM 213 C PRO A 18 -4.211 -8.394 1.758 1.00 0.00 C ATOM 214 O PRO A 18 -4.494 -8.855 2.863 1.00 0.00 O ATOM 215 CB PRO A 18 -6.322 -8.854 0.482 1.00 0.00 C ATOM 216 CG PRO A 18 -6.805 -10.165 0.999 1.00 0.00 C ATOM 217 CD PRO A 18 -5.818 -11.190 0.515 1.00 0.00 C ATOM 0 HA PRO A 18 -4.316 -8.424 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.651 -8.032 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.707 -8.657 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.859 -10.159 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.807 -10.384 0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.703 -12.006 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.131 -11.635 -0.429 1.00 0.00 H new ATOM 225 N PRO A 19 -3.374 -7.356 1.609 1.00 0.00 N ATOM 226 CA PRO A 19 -2.731 -6.688 2.745 1.00 0.00 C ATOM 227 C PRO A 19 -3.723 -5.894 3.587 1.00 0.00 C ATOM 228 O PRO A 19 -4.849 -5.638 3.161 1.00 0.00 O ATOM 229 CB PRO A 19 -1.722 -5.749 2.080 1.00 0.00 C ATOM 230 CG PRO A 19 -2.282 -5.491 0.724 1.00 0.00 C ATOM 231 CD PRO A 19 -2.991 -6.754 0.321 1.00 0.00 C ATOM 0 HA PRO A 19 -2.279 -7.401 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.610 -4.824 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.735 -6.207 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.970 -4.646 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.491 -5.245 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.862 -6.545 -0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.341 -7.414 -0.254 1.00 0.00 H new ATOM 239 N SER A 20 -3.298 -5.506 4.786 1.00 0.00 N ATOM 240 CA SER A 20 -4.151 -4.743 5.689 1.00 0.00 C ATOM 241 C SER A 20 -3.478 -3.436 6.097 1.00 0.00 C ATOM 242 O SER A 20 -2.497 -3.436 6.842 1.00 0.00 O ATOM 243 CB SER A 20 -4.481 -5.570 6.934 1.00 0.00 C ATOM 244 OG SER A 20 -5.660 -6.332 6.742 1.00 0.00 O ATOM 0 H SER A 20 -2.368 -5.708 5.154 1.00 0.00 H new ATOM 0 HA SER A 20 -5.076 -4.507 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.648 -6.234 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.607 -4.908 7.791 1.00 0.00 H new ATOM 0 HG SER A 20 -5.848 -6.853 7.551 1.00 0.00 H new ATOM 250 N ILE A 21 -4.013 -2.324 5.604 1.00 0.00 N ATOM 251 CA ILE A 21 -3.466 -1.010 5.918 1.00 0.00 C ATOM 252 C ILE A 21 -3.769 -0.618 7.360 1.00 0.00 C ATOM 253 O ILE A 21 -4.931 -0.516 7.755 1.00 0.00 O ATOM 254 CB ILE A 21 -4.024 0.072 4.975 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.540 -0.169 3.544 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.612 1.456 5.454 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.280 0.651 2.510 1.00 0.00 C ATOM 0 H ILE A 21 -4.824 -2.307 4.986 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.387 -1.077 5.782 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.112 0.015 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.476 0.061 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.651 -1.227 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.014 2.210 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.002 1.625 6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.524 1.526 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.885 0.429 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.341 0.404 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.148 1.712 2.724 1.00 0.00 H new ATOM 269 N ARG A 22 -2.717 -0.396 8.141 1.00 0.00 N ATOM 270 CA ARG A 22 -2.871 -0.014 9.540 1.00 0.00 C ATOM 271 C ARG A 22 -2.905 1.504 9.688 1.00 0.00 C ATOM 272 O ARG A 22 -1.885 2.175 9.531 1.00 0.00 O ATOM 273 CB ARG A 22 -1.730 -0.594 10.378 1.00 0.00 C ATOM 274 CG ARG A 22 -1.702 -2.114 10.400 1.00 0.00 C ATOM 275 CD ARG A 22 -2.798 -2.678 11.292 1.00 0.00 C ATOM 276 NE ARG A 22 -2.383 -2.748 12.690 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.607 -3.708 13.180 1.00 0.00 C ATOM 278 NH1 ARG A 22 -1.164 -4.675 12.388 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.273 -3.703 14.464 1.00 0.00 N ATOM 0 H ARG A 22 -1.749 -0.474 7.829 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.818 -0.418 9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.781 -0.227 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.818 -0.226 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.824 -2.496 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.730 -2.456 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.689 -2.056 11.209 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.071 -3.674 10.945 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.707 -2.019 13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.419 -4.682 11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.568 -5.411 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.612 -2.961 15.076 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.677 -4.441 14.839 1.00 0.00 H new ATOM 293 N GLU A 23 -4.084 2.038 9.990 1.00 0.00 N ATOM 294 CA GLU A 23 -4.249 3.477 10.158 1.00 0.00 C ATOM 295 C GLU A 23 -3.597 3.953 11.453 1.00 0.00 C ATOM 296 O GLU A 23 -3.066 5.061 11.521 1.00 0.00 O ATOM 297 CB GLU A 23 -5.734 3.846 10.157 1.00 0.00 C ATOM 298 CG GLU A 23 -6.473 3.394 8.908 1.00 0.00 C ATOM 299 CD GLU A 23 -6.770 1.907 8.913 1.00 0.00 C ATOM 300 OE1 GLU A 23 -6.749 1.301 10.005 1.00 0.00 O ATOM 301 OE2 GLU A 23 -7.024 1.349 7.825 1.00 0.00 O ATOM 0 H GLU A 23 -4.938 1.497 10.123 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.758 3.973 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.210 3.403 11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.831 4.927 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.408 3.947 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.877 3.639 8.029 1.00 0.00 H new ATOM 308 N GLU A 24 -3.642 3.106 12.477 1.00 0.00 N ATOM 309 CA GLU A 24 -3.057 3.441 13.770 1.00 0.00 C ATOM 310 C GLU A 24 -1.544 3.607 13.656 1.00 0.00 C ATOM 311 O GLU A 24 -0.940 4.406 14.373 1.00 0.00 O ATOM 312 CB GLU A 24 -3.385 2.357 14.799 1.00 0.00 C ATOM 313 CG GLU A 24 -2.802 0.996 14.457 1.00 0.00 C ATOM 314 CD GLU A 24 -2.964 -0.007 15.582 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.111 -0.425 15.846 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.943 -0.375 16.200 1.00 0.00 O ATOM 0 H GLU A 24 -4.077 2.184 12.436 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.486 4.387 14.100 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.011 2.669 15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.468 2.267 14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.288 0.612 13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.743 1.107 14.224 1.00 0.00 H new ATOM 323 N LEU A 25 -0.938 2.848 12.750 1.00 0.00 N ATOM 324 CA LEU A 25 0.504 2.910 12.541 1.00 0.00 C ATOM 325 C LEU A 25 0.859 3.969 11.502 1.00 0.00 C ATOM 326 O LEU A 25 1.961 4.518 11.512 1.00 0.00 O ATOM 327 CB LEU A 25 1.034 1.546 12.096 1.00 0.00 C ATOM 328 CG LEU A 25 0.594 0.347 12.938 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.132 -0.946 12.348 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.054 0.510 14.379 1.00 0.00 C ATOM 0 H LEU A 25 -1.423 2.182 12.148 1.00 0.00 H new ATOM 0 HA LEU A 25 0.971 3.184 13.487 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.721 1.375 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.123 1.584 12.096 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.495 0.301 12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.809 -1.788 12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.753 -1.069 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.221 -0.910 12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.732 -0.352 14.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.141 0.583 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.619 1.416 14.800 1.00 0.00 H new ATOM 342 N CYS A 26 -0.083 4.253 10.610 1.00 0.00 N ATOM 343 CA CYS A 26 0.129 5.249 9.565 1.00 0.00 C ATOM 344 C CYS A 26 0.485 6.604 10.169 1.00 0.00 C ATOM 345 O CYS A 26 0.261 6.845 11.355 1.00 0.00 O ATOM 346 CB CYS A 26 -1.120 5.377 8.692 1.00 0.00 C ATOM 347 SG CYS A 26 -1.269 4.099 7.423 1.00 0.00 S ATOM 0 H CYS A 26 -1.001 3.808 10.589 1.00 0.00 H new ATOM 0 HA CYS A 26 0.963 4.918 8.946 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.002 5.343 9.332 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.114 6.354 8.209 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.584 2.968 7.981 1.00 0.00 H new ATOM 353 N THR A 27 1.042 7.485 9.344 1.00 0.00 N ATOM 354 CA THR A 27 1.432 8.815 9.797 1.00 0.00 C ATOM 355 C THR A 27 1.262 9.845 8.687 1.00 0.00 C ATOM 356 O THR A 27 1.525 9.562 7.518 1.00 0.00 O ATOM 357 CB THR A 27 2.893 8.837 10.283 1.00 0.00 C ATOM 358 OG1 THR A 27 3.763 8.378 9.242 1.00 0.00 O ATOM 359 CG2 THR A 27 3.066 7.964 11.517 1.00 0.00 C ATOM 0 H THR A 27 1.233 7.302 8.359 1.00 0.00 H new ATOM 0 HA THR A 27 0.776 9.070 10.630 1.00 0.00 H new ATOM 0 HB THR A 27 3.150 9.863 10.544 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.178 7.532 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.106 7.995 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.425 8.334 12.317 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.792 6.937 11.277 1.00 0.00 H new ATOM 367 N ALA A 28 0.820 11.042 9.059 1.00 0.00 N ATOM 368 CA ALA A 28 0.618 12.116 8.094 1.00 0.00 C ATOM 369 C ALA A 28 1.543 13.294 8.382 1.00 0.00 C ATOM 370 O ALA A 28 1.748 13.667 9.537 1.00 0.00 O ATOM 371 CB ALA A 28 -0.835 12.568 8.105 1.00 0.00 C ATOM 0 H ALA A 28 0.595 11.292 10.022 1.00 0.00 H new ATOM 0 HA ALA A 28 0.860 11.732 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.972 13.370 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.479 11.729 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.096 12.929 9.100 1.00 0.00 H new ATOM 377 N SER A 29 2.099 13.876 7.324 1.00 0.00 N ATOM 378 CA SER A 29 3.006 15.009 7.464 1.00 0.00 C ATOM 379 C SER A 29 2.621 16.134 6.508 1.00 0.00 C ATOM 380 O SER A 29 1.886 15.920 5.543 1.00 0.00 O ATOM 381 CB SER A 29 4.448 14.571 7.199 1.00 0.00 C ATOM 382 OG SER A 29 4.780 13.423 7.961 1.00 0.00 O ATOM 0 H SER A 29 1.937 13.582 6.361 1.00 0.00 H new ATOM 0 HA SER A 29 2.928 15.381 8.486 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.577 14.357 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.130 15.385 7.446 1.00 0.00 H new ATOM 0 HG SER A 29 5.706 13.162 7.773 1.00 0.00 H new ATOM 388 N HIS A 30 3.122 17.334 6.784 1.00 0.00 N ATOM 389 CA HIS A 30 2.832 18.494 5.949 1.00 0.00 C ATOM 390 C HIS A 30 2.695 18.089 4.484 1.00 0.00 C ATOM 391 O HIS A 30 1.610 18.166 3.907 1.00 0.00 O ATOM 392 CB HIS A 30 3.932 19.545 6.099 1.00 0.00 C ATOM 393 CG HIS A 30 5.288 18.961 6.347 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.731 18.590 7.600 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.302 18.682 5.494 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.958 18.110 7.507 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.328 18.154 6.239 1.00 0.00 N ATOM 0 H HIS A 30 3.731 17.528 7.579 1.00 0.00 H new ATOM 0 HA HIS A 30 1.885 18.921 6.280 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.967 20.154 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.676 20.212 6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.304 18.844 4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.557 17.744 8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.229 17.846 5.873 1.00 0.00 H new ATOM 406 N ASP A 31 3.801 17.658 3.889 1.00 0.00 N ATOM 407 CA ASP A 31 3.805 17.240 2.492 1.00 0.00 C ATOM 408 C ASP A 31 4.348 15.822 2.350 1.00 0.00 C ATOM 409 O ASP A 31 4.941 15.471 1.329 1.00 0.00 O ATOM 410 CB ASP A 31 4.641 18.206 1.651 1.00 0.00 C ATOM 411 CG ASP A 31 4.130 19.632 1.727 1.00 0.00 C ATOM 412 OD1 ASP A 31 4.459 20.327 2.710 1.00 0.00 O ATOM 413 OD2 ASP A 31 3.400 20.051 0.805 1.00 0.00 O ATOM 0 H ASP A 31 4.707 17.589 4.352 1.00 0.00 H new ATOM 0 HA ASP A 31 2.776 17.253 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.676 18.176 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.636 17.876 0.612 1.00 0.00 H new ATOM 418 N THR A 32 4.144 15.009 3.382 1.00 0.00 N ATOM 419 CA THR A 32 4.615 13.630 3.374 1.00 0.00 C ATOM 420 C THR A 32 3.670 12.722 4.152 1.00 0.00 C ATOM 421 O THR A 32 3.025 13.154 5.107 1.00 0.00 O ATOM 422 CB THR A 32 6.029 13.516 3.974 1.00 0.00 C ATOM 423 OG1 THR A 32 6.765 14.719 3.727 1.00 0.00 O ATOM 424 CG2 THR A 32 6.774 12.329 3.382 1.00 0.00 C ATOM 0 H THR A 32 3.655 15.282 4.234 1.00 0.00 H new ATOM 0 HA THR A 32 4.644 13.312 2.332 1.00 0.00 H new ATOM 0 HB THR A 32 5.932 13.365 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.662 14.639 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.770 12.269 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.226 11.411 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.860 12.455 2.303 1.00 0.00 H new ATOM 432 N ILE A 33 3.594 11.461 3.738 1.00 0.00 N ATOM 433 CA ILE A 33 2.729 10.492 4.399 1.00 0.00 C ATOM 434 C ILE A 33 3.305 9.084 4.300 1.00 0.00 C ATOM 435 O ILE A 33 3.728 8.647 3.229 1.00 0.00 O ATOM 436 CB ILE A 33 1.312 10.498 3.795 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.616 11.830 4.086 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.497 9.337 4.343 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.754 11.946 3.455 1.00 0.00 C ATOM 0 H ILE A 33 4.121 11.087 2.949 1.00 0.00 H new ATOM 0 HA ILE A 33 2.670 10.785 5.447 1.00 0.00 H new ATOM 0 HB ILE A 33 1.393 10.380 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.522 11.953 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.243 12.645 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.502 9.355 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.987 8.397 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.421 9.425 5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.188 12.915 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.665 11.855 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.398 11.152 3.834 1.00 0.00 H new ATOM 451 N THR A 34 3.318 8.375 5.425 1.00 0.00 N ATOM 452 CA THR A 34 3.841 7.015 5.465 1.00 0.00 C ATOM 453 C THR A 34 2.745 6.014 5.812 1.00 0.00 C ATOM 454 O THR A 34 2.146 6.081 6.885 1.00 0.00 O ATOM 455 CB THR A 34 4.984 6.883 6.490 1.00 0.00 C ATOM 456 OG1 THR A 34 6.070 7.742 6.125 1.00 0.00 O ATOM 457 CG2 THR A 34 5.472 5.445 6.574 1.00 0.00 C ATOM 0 H THR A 34 2.972 8.720 6.320 1.00 0.00 H new ATOM 0 HA THR A 34 4.227 6.796 4.470 1.00 0.00 H new ATOM 0 HB THR A 34 4.602 7.177 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.792 7.654 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.279 5.377 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.649 4.799 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.838 5.127 5.598 1.00 0.00 H new ATOM 465 N VAL A 35 2.487 5.085 4.897 1.00 0.00 N ATOM 466 CA VAL A 35 1.463 4.069 5.107 1.00 0.00 C ATOM 467 C VAL A 35 2.086 2.738 5.514 1.00 0.00 C ATOM 468 O VAL A 35 3.058 2.284 4.909 1.00 0.00 O ATOM 469 CB VAL A 35 0.613 3.858 3.840 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.493 2.847 4.101 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.035 5.182 3.361 1.00 0.00 C ATOM 0 H VAL A 35 2.973 5.015 4.003 1.00 0.00 H new ATOM 0 HA VAL A 35 0.821 4.428 5.911 1.00 0.00 H new ATOM 0 HB VAL A 35 1.255 3.462 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.083 2.711 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.053 1.894 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.137 3.211 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.563 5.015 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.594 5.609 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.847 5.872 3.132 1.00 0.00 H new ATOM 481 N HIS A 36 1.519 2.116 6.543 1.00 0.00 N ATOM 482 CA HIS A 36 2.018 0.835 7.031 1.00 0.00 C ATOM 483 C HIS A 36 1.014 -0.280 6.756 1.00 0.00 C ATOM 484 O HIS A 36 -0.138 -0.210 7.185 1.00 0.00 O ATOM 485 CB HIS A 36 2.310 0.915 8.530 1.00 0.00 C ATOM 486 CG HIS A 36 3.352 1.932 8.883 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.388 1.676 9.756 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.514 3.212 8.474 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.142 2.755 9.871 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.633 3.701 9.102 1.00 0.00 N ATOM 0 H HIS A 36 0.714 2.478 7.055 1.00 0.00 H new ATOM 0 HA HIS A 36 2.942 0.607 6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.387 1.153 9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.636 -0.064 8.881 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.548 0.791 10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.881 3.749 7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.024 2.848 10.488 1.00 0.00 H new ATOM 499 N TRP A 37 1.458 -1.305 6.038 1.00 0.00 N ATOM 500 CA TRP A 37 0.597 -2.434 5.705 1.00 0.00 C ATOM 501 C TRP A 37 1.074 -3.706 6.398 1.00 0.00 C ATOM 502 O TRP A 37 2.270 -3.999 6.421 1.00 0.00 O ATOM 503 CB TRP A 37 0.562 -2.647 4.191 1.00 0.00 C ATOM 504 CG TRP A 37 1.916 -2.578 3.550 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.828 -3.589 3.451 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.509 -1.436 2.923 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.953 -3.145 2.799 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.782 -1.828 2.464 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.089 -0.122 2.701 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.636 -0.951 1.799 1.00 0.00 C ATOM 511 CZ3 TRP A 37 2.937 0.747 2.042 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.199 0.330 1.597 1.00 0.00 C ATOM 0 H TRP A 37 2.409 -1.378 5.675 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.409 -2.206 6.056 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.116 -3.619 3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.084 -1.894 3.740 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.686 -4.591 3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.781 -3.705 2.597 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.118 0.209 3.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.609 -1.271 1.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.622 1.765 1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.839 1.033 1.085 1.00 0.00 H new ATOM 523 N ILE A 38 0.134 -4.457 6.961 1.00 0.00 N ATOM 524 CA ILE A 38 0.460 -5.697 7.654 1.00 0.00 C ATOM 525 C ILE A 38 0.052 -6.912 6.827 1.00 0.00 C ATOM 526 O ILE A 38 -1.069 -6.984 6.324 1.00 0.00 O ATOM 527 CB ILE A 38 -0.228 -5.772 9.029 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.222 -7.026 9.782 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.741 -5.760 8.866 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.504 -6.835 10.561 1.00 0.00 C ATOM 0 H ILE A 38 -0.860 -4.228 6.951 1.00 0.00 H new ATOM 0 HA ILE A 38 1.541 -5.703 7.797 1.00 0.00 H new ATOM 0 HB ILE A 38 0.062 -4.898 9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.568 -7.331 10.468 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.357 -7.839 9.069 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.213 -5.814 9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.046 -4.840 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.049 -6.617 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.763 -7.764 11.069 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.307 -6.559 9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.367 -6.044 11.298 1.00 0.00 H new ATOM 542 N SER A 39 0.968 -7.865 6.693 1.00 0.00 N ATOM 543 CA SER A 39 0.705 -9.076 5.925 1.00 0.00 C ATOM 544 C SER A 39 1.267 -10.303 6.637 1.00 0.00 C ATOM 545 O SER A 39 2.326 -10.241 7.263 1.00 0.00 O ATOM 546 CB SER A 39 1.313 -8.961 4.526 1.00 0.00 C ATOM 547 OG SER A 39 0.885 -7.775 3.880 1.00 0.00 O ATOM 0 H SER A 39 1.899 -7.822 7.106 1.00 0.00 H new ATOM 0 HA SER A 39 -0.375 -9.192 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.401 -8.968 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.027 -9.827 3.929 1.00 0.00 H new ATOM 0 HG SER A 39 0.136 -7.384 4.377 1.00 0.00 H new ATOM 553 N ASP A 40 0.551 -11.417 6.536 1.00 0.00 N ATOM 554 CA ASP A 40 0.977 -12.660 7.169 1.00 0.00 C ATOM 555 C ASP A 40 1.927 -13.434 6.260 1.00 0.00 C ATOM 556 O ASP A 40 2.937 -13.972 6.715 1.00 0.00 O ATOM 557 CB ASP A 40 -0.236 -13.524 7.514 1.00 0.00 C ATOM 558 CG ASP A 40 0.139 -14.758 8.310 1.00 0.00 C ATOM 559 OD1 ASP A 40 0.796 -14.609 9.362 1.00 0.00 O ATOM 560 OD2 ASP A 40 -0.224 -15.874 7.882 1.00 0.00 O ATOM 0 H ASP A 40 -0.327 -11.485 6.022 1.00 0.00 H new ATOM 0 HA ASP A 40 1.506 -12.408 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.950 -12.931 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.736 -13.827 6.594 1.00 0.00 H new ATOM 565 N ASP A 41 1.596 -13.488 4.975 1.00 0.00 N ATOM 566 CA ASP A 41 2.419 -14.196 4.002 1.00 0.00 C ATOM 567 C ASP A 41 3.003 -13.229 2.977 1.00 0.00 C ATOM 568 O ASP A 41 2.437 -13.032 1.903 1.00 0.00 O ATOM 569 CB ASP A 41 1.597 -15.273 3.294 1.00 0.00 C ATOM 570 CG ASP A 41 1.287 -16.452 4.196 1.00 0.00 C ATOM 571 OD1 ASP A 41 1.240 -16.259 5.429 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.090 -17.566 3.669 1.00 0.00 O ATOM 0 H ASP A 41 0.763 -13.050 4.583 1.00 0.00 H new ATOM 0 HA ASP A 41 3.242 -14.671 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.664 -14.837 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.141 -15.623 2.417 1.00 0.00 H new ATOM 577 N GLU A 42 4.138 -12.627 3.318 1.00 0.00 N ATOM 578 CA GLU A 42 4.797 -11.678 2.428 1.00 0.00 C ATOM 579 C GLU A 42 6.097 -12.259 1.880 1.00 0.00 C ATOM 580 O GLU A 42 6.987 -11.524 1.451 1.00 0.00 O ATOM 581 CB GLU A 42 5.081 -10.367 3.163 1.00 0.00 C ATOM 582 CG GLU A 42 6.184 -10.479 4.203 1.00 0.00 C ATOM 583 CD GLU A 42 6.108 -9.389 5.254 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.003 -9.159 5.790 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.151 -8.766 5.541 1.00 0.00 O ATOM 0 H GLU A 42 4.620 -12.779 4.204 1.00 0.00 H new ATOM 0 HA GLU A 42 4.127 -11.479 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.356 -9.604 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.167 -10.028 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.122 -11.452 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.153 -10.432 3.706 1.00 0.00 H new ATOM 592 N PHE A 43 6.201 -13.584 1.899 1.00 0.00 N ATOM 593 CA PHE A 43 7.393 -14.265 1.406 1.00 0.00 C ATOM 594 C PHE A 43 7.253 -14.602 -0.075 1.00 0.00 C ATOM 595 O PHE A 43 8.215 -14.510 -0.837 1.00 0.00 O ATOM 596 CB PHE A 43 7.645 -15.542 2.210 1.00 0.00 C ATOM 597 CG PHE A 43 7.301 -15.413 3.666 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.785 -14.352 4.414 1.00 0.00 C ATOM 599 CD2 PHE A 43 6.492 -16.351 4.286 1.00 0.00 C ATOM 600 CE1 PHE A 43 7.471 -14.231 5.754 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.174 -16.235 5.626 1.00 0.00 C ATOM 602 CZ PHE A 43 6.663 -15.173 6.361 1.00 0.00 C ATOM 0 H PHE A 43 5.474 -14.207 2.250 1.00 0.00 H new ATOM 0 HA PHE A 43 8.242 -13.593 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.061 -16.355 1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.695 -15.819 2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.415 -13.611 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.105 -17.183 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.857 -13.401 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.544 -16.974 6.098 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.414 -15.079 7.408 1.00 0.00 H new ATOM 612 N SER A 44 6.047 -14.992 -0.476 1.00 0.00 N ATOM 613 CA SER A 44 5.781 -15.347 -1.865 1.00 0.00 C ATOM 614 C SER A 44 5.687 -14.098 -2.737 1.00 0.00 C ATOM 615 O SER A 44 6.201 -14.069 -3.856 1.00 0.00 O ATOM 616 CB SER A 44 4.485 -16.154 -1.969 1.00 0.00 C ATOM 617 OG SER A 44 4.506 -17.266 -1.091 1.00 0.00 O ATOM 0 H SER A 44 5.239 -15.070 0.141 1.00 0.00 H new ATOM 0 HA SER A 44 6.610 -15.957 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.635 -15.515 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.348 -16.498 -2.994 1.00 0.00 H new ATOM 0 HG SER A 44 3.667 -17.765 -1.175 1.00 0.00 H new ATOM 623 N ILE A 45 5.028 -13.069 -2.216 1.00 0.00 N ATOM 624 CA ILE A 45 4.867 -11.817 -2.945 1.00 0.00 C ATOM 625 C ILE A 45 6.202 -11.328 -3.497 1.00 0.00 C ATOM 626 O ILE A 45 7.094 -10.941 -2.742 1.00 0.00 O ATOM 627 CB ILE A 45 4.260 -10.720 -2.051 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.888 -11.155 -1.532 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.151 -9.411 -2.820 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.249 -10.150 -0.600 1.00 0.00 C ATOM 0 H ILE A 45 4.597 -13.077 -1.292 1.00 0.00 H new ATOM 0 HA ILE A 45 4.186 -12.017 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 45 4.918 -10.563 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.225 -11.325 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.990 -12.107 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.720 -8.645 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.143 -9.096 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.512 -9.553 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.279 -10.524 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.892 -9.998 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.114 -9.203 -1.123 1.00 0.00 H new ATOM 642 N SER A 46 6.330 -11.345 -4.820 1.00 0.00 N ATOM 643 CA SER A 46 7.557 -10.904 -5.474 1.00 0.00 C ATOM 644 C SER A 46 7.874 -9.456 -5.116 1.00 0.00 C ATOM 645 O SER A 46 9.021 -9.111 -4.832 1.00 0.00 O ATOM 646 CB SER A 46 7.431 -11.050 -6.992 1.00 0.00 C ATOM 647 OG SER A 46 8.669 -10.798 -7.633 1.00 0.00 O ATOM 0 H SER A 46 5.600 -11.659 -5.460 1.00 0.00 H new ATOM 0 HA SER A 46 8.374 -11.534 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.089 -12.056 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.677 -10.357 -7.366 1.00 0.00 H new ATOM 0 HG SER A 46 8.562 -10.899 -8.602 1.00 0.00 H new ATOM 653 N SER A 47 6.847 -8.611 -5.131 1.00 0.00 N ATOM 654 CA SER A 47 7.016 -7.198 -4.811 1.00 0.00 C ATOM 655 C SER A 47 5.670 -6.544 -4.514 1.00 0.00 C ATOM 656 O SER A 47 4.620 -7.049 -4.912 1.00 0.00 O ATOM 657 CB SER A 47 7.705 -6.470 -5.967 1.00 0.00 C ATOM 658 OG SER A 47 7.044 -6.724 -7.195 1.00 0.00 O ATOM 0 H SER A 47 5.890 -8.880 -5.361 1.00 0.00 H new ATOM 0 HA SER A 47 7.641 -7.125 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.716 -5.398 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.744 -6.792 -6.036 1.00 0.00 H new ATOM 0 HG SER A 47 7.502 -6.247 -7.918 1.00 0.00 H new ATOM 664 N TYR A 48 5.709 -5.418 -3.810 1.00 0.00 N ATOM 665 CA TYR A 48 4.493 -4.695 -3.456 1.00 0.00 C ATOM 666 C TYR A 48 4.318 -3.460 -4.335 1.00 0.00 C ATOM 667 O TYR A 48 5.290 -2.913 -4.855 1.00 0.00 O ATOM 668 CB TYR A 48 4.528 -4.287 -1.983 1.00 0.00 C ATOM 669 CG TYR A 48 3.904 -5.306 -1.057 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.539 -5.564 -1.095 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.678 -6.009 -0.143 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.964 -6.494 -0.250 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.112 -6.942 0.705 1.00 0.00 C ATOM 674 CZ TYR A 48 2.755 -7.180 0.648 1.00 0.00 C ATOM 675 OH TYR A 48 2.187 -8.107 1.491 1.00 0.00 O ATOM 0 H TYR A 48 6.570 -4.986 -3.473 1.00 0.00 H new ATOM 0 HA TYR A 48 3.644 -5.359 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.564 -4.124 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.009 -3.336 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.917 -5.029 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.741 -5.823 -0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.901 -6.683 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.729 -7.482 1.408 1.00 0.00 H new ATOM 0 HH TYR A 48 1.801 -7.650 2.267 1.00 0.00 H new ATOM 685 N GLU A 49 3.072 -3.027 -4.494 1.00 0.00 N ATOM 686 CA GLU A 49 2.769 -1.856 -5.309 1.00 0.00 C ATOM 687 C GLU A 49 1.972 -0.829 -4.511 1.00 0.00 C ATOM 688 O GLU A 49 0.981 -1.164 -3.860 1.00 0.00 O ATOM 689 CB GLU A 49 1.987 -2.266 -6.559 1.00 0.00 C ATOM 690 CG GLU A 49 2.247 -1.372 -7.760 1.00 0.00 C ATOM 691 CD GLU A 49 1.059 -1.296 -8.698 1.00 0.00 C ATOM 692 OE1 GLU A 49 -0.009 -0.812 -8.266 1.00 0.00 O ATOM 693 OE2 GLU A 49 1.195 -1.720 -9.865 1.00 0.00 O ATOM 0 H GLU A 49 2.256 -3.469 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 49 3.712 -1.402 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.245 -3.293 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.921 -2.253 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.497 -0.369 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.113 -1.746 -8.306 1.00 0.00 H new ATOM 700 N LEU A 50 2.411 0.424 -4.565 1.00 0.00 N ATOM 701 CA LEU A 50 1.739 1.501 -3.847 1.00 0.00 C ATOM 702 C LEU A 50 0.874 2.330 -4.792 1.00 0.00 C ATOM 703 O LEU A 50 1.224 2.526 -5.956 1.00 0.00 O ATOM 704 CB LEU A 50 2.768 2.401 -3.158 1.00 0.00 C ATOM 705 CG LEU A 50 2.233 3.301 -2.044 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.955 2.489 -0.789 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.216 4.424 -1.748 1.00 0.00 C ATOM 0 H LEU A 50 3.229 0.719 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 50 1.093 1.053 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.553 1.769 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.234 3.032 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 50 1.296 3.744 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.575 3.146 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.214 1.721 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.877 2.017 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.819 5.055 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.169 4.000 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.365 5.023 -2.646 1.00 0.00 H new ATOM 719 N GLN A 51 -0.254 2.814 -4.283 1.00 0.00 N ATOM 720 CA GLN A 51 -1.167 3.622 -5.082 1.00 0.00 C ATOM 721 C GLN A 51 -1.810 4.715 -4.234 1.00 0.00 C ATOM 722 O GLN A 51 -2.559 4.430 -3.300 1.00 0.00 O ATOM 723 CB GLN A 51 -2.250 2.740 -5.705 1.00 0.00 C ATOM 724 CG GLN A 51 -1.697 1.591 -6.533 1.00 0.00 C ATOM 725 CD GLN A 51 -2.787 0.775 -7.200 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.903 1.254 -7.400 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.468 -0.466 -7.548 1.00 0.00 N ATOM 0 H GLN A 51 -0.557 2.661 -3.321 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.592 4.096 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.878 2.336 -4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.890 3.356 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.027 1.987 -7.296 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.102 0.940 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.530 -0.822 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.161 -1.063 -8.000 1.00 0.00 H new ATOM 736 N TYR A 52 -1.513 5.966 -4.567 1.00 0.00 N ATOM 737 CA TYR A 52 -2.060 7.102 -3.835 1.00 0.00 C ATOM 738 C TYR A 52 -2.666 8.125 -4.790 1.00 0.00 C ATOM 739 O TYR A 52 -2.179 8.317 -5.905 1.00 0.00 O ATOM 740 CB TYR A 52 -0.970 7.762 -2.987 1.00 0.00 C ATOM 741 CG TYR A 52 0.189 8.293 -3.799 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.200 7.448 -4.239 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.274 9.641 -4.126 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.262 7.929 -4.980 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.331 10.131 -4.868 1.00 0.00 C ATOM 746 CZ TYR A 52 2.323 9.271 -5.292 1.00 0.00 C ATOM 747 OH TYR A 52 3.379 9.755 -6.031 1.00 0.00 O ATOM 0 H TYR A 52 -0.896 6.219 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.848 6.733 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.410 8.581 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.595 7.037 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.155 6.396 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.500 10.317 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.040 7.258 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.381 11.181 -5.115 1.00 0.00 H new ATOM 0 HH TYR A 52 3.270 10.720 -6.164 1.00 0.00 H new ATOM 757 N THR A 53 -3.733 8.782 -4.345 1.00 0.00 N ATOM 758 CA THR A 53 -4.407 9.786 -5.159 1.00 0.00 C ATOM 759 C THR A 53 -5.091 10.832 -4.286 1.00 0.00 C ATOM 760 O THR A 53 -5.641 10.511 -3.232 1.00 0.00 O ATOM 761 CB THR A 53 -5.454 9.144 -6.088 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.860 10.083 -7.091 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.669 8.682 -5.298 1.00 0.00 C ATOM 0 H THR A 53 -4.149 8.637 -3.425 1.00 0.00 H new ATOM 0 HA THR A 53 -3.641 10.268 -5.766 1.00 0.00 H new ATOM 0 HB THR A 53 -5.000 8.276 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.525 9.667 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.394 8.232 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.362 7.946 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.123 9.536 -4.796 1.00 0.00 H new ATOM 771 N ILE A 54 -5.055 12.083 -4.732 1.00 0.00 N ATOM 772 CA ILE A 54 -5.674 13.175 -3.992 1.00 0.00 C ATOM 773 C ILE A 54 -7.191 13.028 -3.961 1.00 0.00 C ATOM 774 O ILE A 54 -7.845 13.001 -5.004 1.00 0.00 O ATOM 775 CB ILE A 54 -5.314 14.543 -4.602 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.803 14.772 -4.539 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.055 15.657 -3.877 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.319 15.867 -5.464 1.00 0.00 C ATOM 0 H ILE A 54 -4.604 12.365 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.286 13.126 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.620 14.550 -5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.524 15.022 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.292 13.843 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.791 16.618 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.130 15.499 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.776 15.654 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.239 15.974 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.567 15.609 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.802 16.807 -5.199 1.00 0.00 H new ATOM 790 N PHE A 55 -7.747 12.935 -2.757 1.00 0.00 N ATOM 791 CA PHE A 55 -9.188 12.792 -2.589 1.00 0.00 C ATOM 792 C PHE A 55 -9.837 14.139 -2.288 1.00 0.00 C ATOM 793 O PHE A 55 -9.424 14.851 -1.372 1.00 0.00 O ATOM 794 CB PHE A 55 -9.496 11.802 -1.464 1.00 0.00 C ATOM 795 CG PHE A 55 -10.945 11.773 -1.071 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.527 12.859 -0.438 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.726 10.659 -1.334 1.00 0.00 C ATOM 798 CE1 PHE A 55 -12.860 12.835 -0.075 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.060 10.628 -0.974 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.628 11.718 -0.344 1.00 0.00 C ATOM 0 H PHE A 55 -7.221 12.956 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.601 12.410 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.193 10.803 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.896 12.058 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.932 13.735 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.287 9.804 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.301 13.688 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.657 9.753 -1.185 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.670 11.697 -0.062 1.00 0.00 H new ATOM 1050 N MET A 72 -1.365 7.507 -9.004 1.00 0.00 N ATOM 1051 CA MET A 72 0.083 7.327 -9.025 1.00 0.00 C ATOM 1052 C MET A 72 0.466 5.946 -8.504 1.00 0.00 C ATOM 1053 O MET A 72 -0.188 5.405 -7.612 1.00 0.00 O ATOM 1054 CB MET A 72 0.764 8.409 -8.185 1.00 0.00 C ATOM 1055 CG MET A 72 1.122 9.657 -8.976 1.00 0.00 C ATOM 1056 SD MET A 72 -0.287 10.758 -9.210 1.00 0.00 S ATOM 1057 CE MET A 72 -0.549 11.334 -7.534 1.00 0.00 C ATOM 0 HA MET A 72 0.421 7.413 -10.058 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.105 8.687 -7.362 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.671 7.997 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.917 10.195 -8.459 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.516 9.365 -9.950 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.226 12.188 -7.544 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.985 10.532 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.405 11.633 -7.099 1.00 0.00 H new ATOM 1067 N ILE A 73 1.530 5.381 -9.066 1.00 0.00 N ATOM 1068 CA ILE A 73 2.000 4.063 -8.657 1.00 0.00 C ATOM 1069 C ILE A 73 3.516 4.046 -8.497 1.00 0.00 C ATOM 1070 O ILE A 73 4.239 4.689 -9.257 1.00 0.00 O ATOM 1071 CB ILE A 73 1.589 2.979 -9.671 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.066 2.914 -9.792 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.152 1.628 -9.258 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.496 3.834 -10.853 1.00 0.00 C ATOM 0 H ILE A 73 2.082 5.815 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 73 1.533 3.845 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 73 2.000 3.239 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.229 1.889 -10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.378 3.169 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.853 0.872 -9.984 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.240 1.684 -9.219 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.767 1.359 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.581 3.735 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.232 4.865 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.081 3.566 -11.824 1.00 0.00 H new ATOM 1086 N VAL A 74 3.992 3.303 -7.502 1.00 0.00 N ATOM 1087 CA VAL A 74 5.423 3.199 -7.243 1.00 0.00 C ATOM 1088 C VAL A 74 5.836 1.750 -7.014 1.00 0.00 C ATOM 1089 O VAL A 74 5.760 1.225 -5.903 1.00 0.00 O ATOM 1090 CB VAL A 74 5.835 4.039 -6.019 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.311 3.842 -5.709 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.522 5.509 -6.253 1.00 0.00 C ATOM 0 H VAL A 74 3.407 2.765 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 74 5.933 3.584 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 74 5.259 3.701 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.584 4.443 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.501 2.790 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.908 4.152 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.819 6.088 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.070 5.863 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.452 5.631 -6.422 1.00 0.00 H new ATOM 1102 N PRO A 75 6.285 1.085 -8.089 1.00 0.00 N ATOM 1103 CA PRO A 75 6.720 -0.314 -8.030 1.00 0.00 C ATOM 1104 C PRO A 75 8.025 -0.483 -7.259 1.00 0.00 C ATOM 1105 O PRO A 75 8.448 0.415 -6.532 1.00 0.00 O ATOM 1106 CB PRO A 75 6.917 -0.686 -9.502 1.00 0.00 C ATOM 1107 CG PRO A 75 7.197 0.607 -10.186 1.00 0.00 C ATOM 1108 CD PRO A 75 6.403 1.648 -9.444 1.00 0.00 C ATOM 0 HA PRO A 75 5.999 -0.944 -7.509 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.743 -1.386 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.028 -1.166 -9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.262 0.838 -10.163 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.903 0.566 -11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.912 2.612 -9.436 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.426 1.808 -9.899 1.00 0.00 H new ATOM 1116 N ASN A 76 8.657 -1.640 -7.422 1.00 0.00 N ATOM 1117 CA ASN A 76 9.915 -1.927 -6.740 1.00 0.00 C ATOM 1118 C ASN A 76 9.827 -1.561 -5.262 1.00 0.00 C ATOM 1119 O ASN A 76 10.665 -0.821 -4.745 1.00 0.00 O ATOM 1120 CB ASN A 76 11.063 -1.161 -7.400 1.00 0.00 C ATOM 1121 CG ASN A 76 10.676 0.259 -7.766 1.00 0.00 C ATOM 1122 OD1 ASN A 76 10.088 0.502 -8.820 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.006 1.205 -6.894 1.00 0.00 N ATOM 0 H ASN A 76 8.320 -2.394 -8.020 1.00 0.00 H new ATOM 0 HA ASN A 76 10.108 -2.997 -6.820 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.918 -1.139 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.381 -1.691 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.772 2.179 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.493 0.957 -6.033 1.00 0.00 H new ATOM 1130 N ILE A 77 8.809 -2.084 -4.587 1.00 0.00 N ATOM 1131 CA ILE A 77 8.614 -1.813 -3.168 1.00 0.00 C ATOM 1132 C ILE A 77 8.944 -3.040 -2.324 1.00 0.00 C ATOM 1133 O ILE A 77 8.196 -4.018 -2.311 1.00 0.00 O ATOM 1134 CB ILE A 77 7.168 -1.374 -2.873 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.810 -0.134 -3.695 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.991 -1.101 -1.387 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.515 0.520 -3.268 1.00 0.00 C ATOM 0 H ILE A 77 8.107 -2.698 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 77 9.292 -1.001 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 77 6.493 -2.181 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.619 0.592 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.737 -0.413 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.964 -0.792 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.209 -2.007 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.673 -0.308 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.324 1.392 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.696 -0.191 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.591 0.831 -2.226 1.00 0.00 H new ATOM 1149 N LYS A 78 10.068 -2.981 -1.618 1.00 0.00 N ATOM 1150 CA LYS A 78 10.497 -4.085 -0.768 1.00 0.00 C ATOM 1151 C LYS A 78 10.482 -3.677 0.702 1.00 0.00 C ATOM 1152 O LYS A 78 11.406 -3.992 1.451 1.00 0.00 O ATOM 1153 CB LYS A 78 11.900 -4.547 -1.166 1.00 0.00 C ATOM 1154 CG LYS A 78 11.997 -5.027 -2.603 1.00 0.00 C ATOM 1155 CD LYS A 78 11.540 -6.469 -2.742 1.00 0.00 C ATOM 1156 CE LYS A 78 11.089 -6.777 -4.161 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.218 -6.709 -5.129 1.00 0.00 N ATOM 0 H LYS A 78 10.699 -2.179 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 78 9.798 -4.910 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.600 -3.724 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.210 -5.353 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.388 -4.388 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.027 -4.936 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.355 -7.138 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.721 -6.660 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.643 -7.771 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.314 -6.070 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.869 -6.925 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.628 -5.753 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.947 -7.401 -4.862 1.00 0.00 H new ATOM 1171 N GLN A 79 9.427 -2.976 1.107 1.00 0.00 N ATOM 1172 CA GLN A 79 9.293 -2.527 2.487 1.00 0.00 C ATOM 1173 C GLN A 79 7.853 -2.668 2.968 1.00 0.00 C ATOM 1174 O GLN A 79 6.937 -2.858 2.169 1.00 0.00 O ATOM 1175 CB GLN A 79 9.747 -1.072 2.618 1.00 0.00 C ATOM 1176 CG GLN A 79 8.979 -0.112 1.724 1.00 0.00 C ATOM 1177 CD GLN A 79 9.762 1.147 1.410 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.892 1.320 1.869 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.165 2.036 0.625 1.00 0.00 N ATOM 0 H GLN A 79 8.654 -2.707 0.499 1.00 0.00 H new ATOM 0 HA GLN A 79 9.928 -3.156 3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.635 -0.757 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.808 -1.008 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.721 -0.616 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.042 0.159 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.228 1.852 0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.644 2.903 0.380 1.00 0.00 H new ATOM 1188 N ASN A 80 7.661 -2.575 4.280 1.00 0.00 N ATOM 1189 CA ASN A 80 6.332 -2.693 4.868 1.00 0.00 C ATOM 1190 C ASN A 80 5.687 -1.321 5.036 1.00 0.00 C ATOM 1191 O ASN A 80 4.675 -1.178 5.724 1.00 0.00 O ATOM 1192 CB ASN A 80 6.412 -3.400 6.223 1.00 0.00 C ATOM 1193 CG ASN A 80 6.655 -4.891 6.083 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.152 -5.357 5.058 1.00 0.00 O ATOM 1195 ND2 ASN A 80 6.303 -5.646 7.117 1.00 0.00 N ATOM 0 H ASN A 80 8.409 -2.418 4.956 1.00 0.00 H new ATOM 0 HA ASN A 80 5.715 -3.285 4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.214 -2.958 6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.484 -3.236 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.441 -6.656 7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.894 -5.216 7.947 1.00 0.00 H new ATOM 1202 N HIS A 81 6.278 -0.313 4.401 1.00 0.00 N ATOM 1203 CA HIS A 81 5.761 1.048 4.479 1.00 0.00 C ATOM 1204 C HIS A 81 6.518 1.972 3.530 1.00 0.00 C ATOM 1205 O HIS A 81 7.746 2.057 3.579 1.00 0.00 O ATOM 1206 CB HIS A 81 5.862 1.574 5.911 1.00 0.00 C ATOM 1207 CG HIS A 81 7.088 1.108 6.635 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.055 0.163 7.638 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.387 1.461 6.495 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.281 -0.044 8.085 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.108 0.731 7.408 1.00 0.00 N ATOM 0 H HIS A 81 7.115 -0.414 3.827 1.00 0.00 H new ATOM 0 HA HIS A 81 4.713 1.029 4.181 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.854 2.664 5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.979 1.259 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.783 2.182 5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.559 -0.731 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.118 0.780 7.541 1.00 0.00 H new ATOM 1220 N TYR A 82 5.779 2.662 2.669 1.00 0.00 N ATOM 1221 CA TYR A 82 6.382 3.577 1.706 1.00 0.00 C ATOM 1222 C TYR A 82 6.040 5.025 2.044 1.00 0.00 C ATOM 1223 O TYR A 82 4.869 5.395 2.136 1.00 0.00 O ATOM 1224 CB TYR A 82 5.907 3.246 0.290 1.00 0.00 C ATOM 1225 CG TYR A 82 6.545 4.106 -0.778 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.237 5.456 -0.886 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.455 3.567 -1.679 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.816 6.245 -1.861 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.041 4.349 -2.656 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.718 5.687 -2.743 1.00 0.00 C ATOM 1231 OH TYR A 82 8.298 6.468 -3.716 1.00 0.00 O ATOM 0 H TYR A 82 4.762 2.606 2.618 1.00 0.00 H new ATOM 0 HA TYR A 82 7.464 3.457 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.123 2.199 0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.825 3.364 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.533 5.897 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.709 2.519 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.564 7.293 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.748 3.915 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 82 9.072 5.999 -4.094 1.00 0.00 H new ATOM 1241 N THR A 83 7.072 5.843 2.228 1.00 0.00 N ATOM 1242 CA THR A 83 6.883 7.250 2.556 1.00 0.00 C ATOM 1243 C THR A 83 6.777 8.099 1.295 1.00 0.00 C ATOM 1244 O THR A 83 7.773 8.348 0.616 1.00 0.00 O ATOM 1245 CB THR A 83 8.038 7.784 3.425 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.136 7.021 4.632 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.826 9.252 3.763 1.00 0.00 C ATOM 0 H THR A 83 8.048 5.554 2.155 1.00 0.00 H new ATOM 0 HA THR A 83 5.952 7.321 3.118 1.00 0.00 H new ATOM 0 HB THR A 83 8.964 7.688 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.285 7.064 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.654 9.607 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.781 9.834 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.891 9.368 4.312 1.00 0.00 H new ATOM 1255 N VAL A 84 5.562 8.542 0.986 1.00 0.00 N ATOM 1256 CA VAL A 84 5.326 9.366 -0.194 1.00 0.00 C ATOM 1257 C VAL A 84 5.663 10.827 0.079 1.00 0.00 C ATOM 1258 O VAL A 84 5.122 11.438 1.002 1.00 0.00 O ATOM 1259 CB VAL A 84 3.862 9.267 -0.663 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.634 10.137 -1.890 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.491 7.819 -0.950 1.00 0.00 C ATOM 0 H VAL A 84 4.726 8.344 1.536 1.00 0.00 H new ATOM 0 HA VAL A 84 5.979 8.987 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 84 3.217 9.632 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.594 10.054 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.857 11.176 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.287 9.805 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.453 7.768 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.140 7.425 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.613 7.226 -0.044 1.00 0.00 H new ATOM 1271 N HIS A 85 6.559 11.383 -0.729 1.00 0.00 N ATOM 1272 CA HIS A 85 6.968 12.775 -0.575 1.00 0.00 C ATOM 1273 C HIS A 85 6.411 13.633 -1.707 1.00 0.00 C ATOM 1274 O HIS A 85 6.180 13.146 -2.813 1.00 0.00 O ATOM 1275 CB HIS A 85 8.493 12.880 -0.544 1.00 0.00 C ATOM 1276 CG HIS A 85 9.085 12.602 0.804 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.606 13.588 1.615 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.236 11.440 1.482 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.053 13.045 2.733 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.839 11.742 2.678 1.00 0.00 N ATOM 0 H HIS A 85 7.016 10.892 -1.497 1.00 0.00 H new ATOM 0 HA HIS A 85 6.566 13.144 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.912 12.180 -1.267 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.787 13.881 -0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.938 10.458 1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.515 13.576 3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.082 11.070 3.406 1.00 0.00 H new ATOM 1289 N GLY A 86 6.195 14.914 -1.421 1.00 0.00 N ATOM 1290 CA GLY A 86 5.666 15.819 -2.424 1.00 0.00 C ATOM 1291 C GLY A 86 4.150 15.847 -2.437 1.00 0.00 C ATOM 1292 O GLY A 86 3.533 16.007 -3.491 1.00 0.00 O ATOM 0 H GLY A 86 6.377 15.340 -0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.043 16.824 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.029 15.520 -3.407 1.00 0.00 H new ATOM 1296 N LEU A 87 3.547 15.691 -1.263 1.00 0.00 N ATOM 1297 CA LEU A 87 2.093 15.698 -1.143 1.00 0.00 C ATOM 1298 C LEU A 87 1.576 17.106 -0.868 1.00 0.00 C ATOM 1299 O LEU A 87 2.345 18.067 -0.852 1.00 0.00 O ATOM 1300 CB LEU A 87 1.650 14.752 -0.026 1.00 0.00 C ATOM 1301 CG LEU A 87 2.051 13.286 -0.189 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.780 12.512 1.092 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.311 12.657 -1.360 1.00 0.00 C ATOM 0 H LEU A 87 4.042 15.558 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 87 1.673 15.356 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.060 15.117 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.564 14.804 0.057 1.00 0.00 H new ATOM 0 HG LEU A 87 3.120 13.244 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.072 11.471 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.356 12.947 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.718 12.563 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.609 11.613 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.237 12.712 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.556 13.194 -2.276 1.00 0.00 H new ATOM 1315 N GLN A 88 0.270 17.220 -0.649 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.348 18.511 -0.373 1.00 0.00 C ATOM 1317 C GLN A 88 -0.793 18.601 1.083 1.00 0.00 C ATOM 1318 O GLN A 88 -1.357 17.653 1.630 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.545 18.735 -1.299 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.195 18.657 -2.776 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.153 19.681 -3.183 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -0.058 20.756 -2.591 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.635 19.352 -4.200 1.00 0.00 N ATOM 0 H GLN A 88 -0.380 16.434 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 88 0.395 19.288 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.310 17.992 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.979 19.712 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.826 17.657 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.098 18.808 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.521 18.450 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.354 20.001 -4.519 1.00 0.00 H new ATOM 1332 N SER A 89 -0.535 19.746 1.706 1.00 0.00 N ATOM 1333 CA SER A 89 -0.905 19.958 3.100 1.00 0.00 C ATOM 1334 C SER A 89 -2.420 20.065 3.251 1.00 0.00 C ATOM 1335 O SER A 89 -3.113 20.528 2.346 1.00 0.00 O ATOM 1336 CB SER A 89 -0.237 21.225 3.640 1.00 0.00 C ATOM 1337 OG SER A 89 1.029 21.430 3.038 1.00 0.00 O ATOM 0 H SER A 89 -0.071 20.541 1.267 1.00 0.00 H new ATOM 0 HA SER A 89 -0.560 19.099 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.877 22.087 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.121 21.146 4.721 1.00 0.00 H new ATOM 0 HG SER A 89 1.434 22.246 3.398 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.926 19.632 4.401 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.355 19.686 4.650 1.00 0.00 C ATOM 1345 C GLY A 90 -5.168 19.208 3.464 1.00 0.00 C ATOM 1346 O GLY A 90 -5.927 19.975 2.871 1.00 0.00 O ATOM 0 H GLY A 90 -2.372 19.245 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.593 19.074 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.640 20.710 4.893 1.00 0.00 H new ATOM 1350 N THR A 91 -5.011 17.934 3.115 1.00 0.00 N ATOM 1351 CA THR A 91 -5.735 17.355 1.990 1.00 0.00 C ATOM 1352 C THR A 91 -5.899 15.849 2.159 1.00 0.00 C ATOM 1353 O THR A 91 -4.996 15.168 2.647 1.00 0.00 O ATOM 1354 CB THR A 91 -5.017 17.636 0.656 1.00 0.00 C ATOM 1355 OG1 THR A 91 -5.040 19.039 0.373 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.676 16.873 -0.483 1.00 0.00 C ATOM 0 H THR A 91 -4.389 17.284 3.596 1.00 0.00 H new ATOM 0 HA THR A 91 -6.718 17.825 1.971 1.00 0.00 H new ATOM 0 HB THR A 91 -3.984 17.302 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.370 19.495 0.924 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.153 17.087 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.631 15.803 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.718 17.182 -0.573 1.00 0.00 H new ATOM 1364 N ARG A 92 -7.055 15.335 1.752 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.336 13.909 1.860 1.00 0.00 C ATOM 1366 C ARG A 92 -6.516 13.115 0.847 1.00 0.00 C ATOM 1367 O ARG A 92 -6.393 13.509 -0.313 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.828 13.644 1.644 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.672 13.865 2.888 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.879 12.941 2.913 1.00 0.00 C ATOM 1371 NE ARG A 92 -12.017 13.546 3.600 1.00 0.00 N ATOM 1372 CZ ARG A 92 -13.155 12.904 3.843 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -13.304 11.644 3.459 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -14.145 13.523 4.473 1.00 0.00 N ATOM 0 H ARG A 92 -7.812 15.885 1.345 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.057 13.584 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.192 14.294 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.960 12.617 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.064 13.695 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.005 14.902 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.164 12.689 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.611 12.008 3.408 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.934 14.514 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.544 11.165 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.178 11.154 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.033 14.492 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.018 13.030 4.659 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.957 11.996 1.294 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.146 11.148 0.428 1.00 0.00 C ATOM 1390 C TYR A 93 -5.465 9.674 0.655 1.00 0.00 C ATOM 1391 O TYR A 93 -5.303 9.156 1.760 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.658 11.404 0.676 1.00 0.00 C ATOM 1393 CG TYR A 93 -3.088 12.525 -0.163 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.604 12.284 -1.443 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -3.034 13.826 0.323 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.082 13.305 -2.213 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.515 14.853 -0.441 1.00 0.00 C ATOM 1398 CZ TYR A 93 -2.040 14.587 -1.708 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.521 15.607 -2.472 1.00 0.00 O ATOM 0 H TYR A 93 -6.050 11.655 2.251 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.383 11.397 -0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.509 11.639 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.102 10.489 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.637 11.281 -1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.404 14.038 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.709 13.100 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.481 15.859 -0.048 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.230 15.252 -3.338 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.918 9.004 -0.399 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.258 7.589 -0.316 1.00 0.00 C ATOM 1411 C ILE A 94 -5.078 6.715 -0.725 1.00 0.00 C ATOM 1412 O ILE A 94 -4.441 6.954 -1.751 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.468 7.248 -1.206 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.686 8.073 -0.787 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.778 5.760 -1.131 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.899 7.847 -1.663 1.00 0.00 C ATOM 0 H ILE A 94 -6.058 9.418 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.513 7.386 0.724 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.222 7.497 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.942 7.830 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.424 9.131 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.635 5.535 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.914 5.191 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.007 5.488 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.724 8.464 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.660 8.117 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.187 6.797 -1.622 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.791 5.701 0.084 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.687 4.789 -0.193 1.00 0.00 C ATOM 1430 C PHE A 95 -4.191 3.359 -0.358 1.00 0.00 C ATOM 1431 O PHE A 95 -4.954 2.859 0.469 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.652 4.851 0.932 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.971 6.184 1.048 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.512 7.187 1.836 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.790 6.435 0.367 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.887 8.416 1.945 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.161 7.661 0.473 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.711 8.653 1.262 1.00 0.00 C ATOM 0 H PHE A 95 -5.308 5.490 0.938 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.218 5.100 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.141 4.619 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.899 4.081 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.433 7.007 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.357 5.664 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.318 9.189 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.760 7.844 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.222 9.612 1.344 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.760 2.706 -1.432 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.166 1.333 -1.706 1.00 0.00 C ATOM 1450 C ILE A 96 -2.964 0.463 -2.054 1.00 0.00 C ATOM 1451 O ILE A 96 -2.351 0.625 -3.109 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.185 1.267 -2.859 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.523 1.866 -2.422 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.368 -0.171 -3.322 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.472 2.128 -3.570 1.00 0.00 C ATOM 0 H ILE A 96 -3.129 3.106 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.633 0.955 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.803 1.852 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.001 1.189 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.338 2.801 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.091 -0.202 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.413 -0.566 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.731 -0.777 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.400 2.552 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.014 2.829 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.687 1.192 -4.085 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.632 -0.464 -1.160 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.504 -1.363 -1.373 1.00 0.00 C ATOM 1469 C VAL A 97 -1.919 -2.580 -2.192 1.00 0.00 C ATOM 1470 O VAL A 97 -2.881 -3.271 -1.855 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.905 -1.838 -0.036 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.118 -2.939 -0.271 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.281 -0.670 0.712 1.00 0.00 C ATOM 0 H VAL A 97 -3.129 -0.612 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.749 -0.800 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.708 -2.246 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.531 -3.262 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.364 -3.784 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.921 -2.561 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.137 -1.023 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.511 -0.231 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.044 0.082 0.913 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.188 -2.837 -3.271 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.477 -3.972 -4.139 1.00 0.00 C ATOM 1485 C LYS A 98 -0.299 -4.941 -4.180 1.00 0.00 C ATOM 1486 O LYS A 98 0.781 -4.599 -4.659 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.801 -3.488 -5.554 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.079 -4.615 -6.534 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.528 -4.083 -7.884 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.342 -3.694 -8.753 1.00 0.00 C ATOM 1491 NZ LYS A 98 -0.858 -4.837 -9.576 1.00 0.00 N ATOM 0 H LYS A 98 -0.390 -2.274 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.342 -4.496 -3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.669 -2.830 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.967 -2.893 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.180 -5.218 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.848 -5.271 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.122 -4.841 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.173 -3.217 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.626 -2.870 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.531 -3.333 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.078 -4.611 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.788 -5.688 -8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.526 -5.012 -10.354 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.516 -6.150 -3.674 1.00 0.00 N ATOM 1506 CA ALA A 99 0.526 -7.169 -3.655 1.00 0.00 C ATOM 1507 C ALA A 99 0.577 -7.927 -4.978 1.00 0.00 C ATOM 1508 O ALA A 99 -0.457 -8.324 -5.516 1.00 0.00 O ATOM 1509 CB ALA A 99 0.301 -8.134 -2.500 1.00 0.00 C ATOM 0 H ALA A 99 -1.405 -6.448 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 99 1.485 -6.670 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.087 -8.889 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.323 -7.586 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.668 -8.619 -2.615 1.00 0.00 H new ATOM 1515 N ILE A 100 1.784 -8.122 -5.496 1.00 0.00 N ATOM 1516 CA ILE A 100 1.968 -8.833 -6.756 1.00 0.00 C ATOM 1517 C ILE A 100 2.813 -10.088 -6.561 1.00 0.00 C ATOM 1518 O ILE A 100 3.920 -10.026 -6.029 1.00 0.00 O ATOM 1519 CB ILE A 100 2.637 -7.937 -7.815 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.933 -6.580 -7.885 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.620 -8.620 -9.174 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.846 -5.447 -8.298 1.00 0.00 C ATOM 0 H ILE A 100 2.649 -7.798 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 100 0.976 -9.117 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 100 3.675 -7.772 -7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.105 -6.645 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.503 -6.352 -6.910 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.096 -7.974 -9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.162 -9.564 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.589 -8.812 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.280 -4.516 -8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.660 -5.355 -7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.257 -5.652 -9.287 1.00 0.00 H new ATOM 1534 N ASN A 101 2.281 -11.225 -6.997 1.00 0.00 N ATOM 1535 CA ASN A 101 2.987 -12.496 -6.872 1.00 0.00 C ATOM 1536 C ASN A 101 2.841 -13.327 -8.143 1.00 0.00 C ATOM 1537 O ASN A 101 2.272 -12.868 -9.133 1.00 0.00 O ATOM 1538 CB ASN A 101 2.456 -13.282 -5.671 1.00 0.00 C ATOM 1539 CG ASN A 101 0.987 -13.633 -5.814 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.220 -12.899 -6.438 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.589 -14.759 -5.234 1.00 0.00 N ATOM 0 H ASN A 101 1.365 -11.293 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 101 4.045 -12.282 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.036 -14.198 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.600 -12.695 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.388 -15.047 -5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.260 -15.336 -4.727 1.00 0.00 H new ATOM 1548 N GLN A 102 3.357 -14.551 -8.106 1.00 0.00 N ATOM 1549 CA GLN A 102 3.284 -15.445 -9.255 1.00 0.00 C ATOM 1550 C GLN A 102 1.834 -15.712 -9.646 1.00 0.00 C ATOM 1551 O GLN A 102 1.515 -15.851 -10.826 1.00 0.00 O ATOM 1552 CB GLN A 102 3.992 -16.766 -8.946 1.00 0.00 C ATOM 1553 CG GLN A 102 3.370 -17.534 -7.791 1.00 0.00 C ATOM 1554 CD GLN A 102 2.268 -18.473 -8.242 1.00 0.00 C ATOM 1555 OE1 GLN A 102 1.154 -18.469 -7.519 1.00 0.00 O flip ATOM 1556 NE2 GLN A 102 2.416 -19.194 -9.229 1.00 0.00 N flip ATOM 0 H GLN A 102 3.830 -14.946 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 102 3.784 -14.960 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.978 -17.393 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.038 -16.563 -8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.145 -18.107 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.966 -16.828 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.289 -19.165 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.666 -19.820 -9.520 1.00 0.00 H new ATOM 1565 N ALA A 103 0.960 -15.782 -8.647 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.456 -16.030 -8.887 1.00 0.00 C ATOM 1567 C ALA A 103 -1.107 -14.850 -9.600 1.00 0.00 C ATOM 1568 O ALA A 103 -1.696 -15.006 -10.669 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.171 -16.316 -7.575 1.00 0.00 C ATOM 0 H ALA A 103 1.208 -15.670 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.542 -16.903 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.228 -16.499 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.731 -17.195 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.068 -15.459 -6.910 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.996 -13.668 -9.001 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.580 -12.479 -9.594 1.00 0.00 C ATOM 1577 C GLY A 104 -1.386 -11.247 -8.733 1.00 0.00 C ATOM 1578 O GLY A 104 -0.304 -11.024 -8.190 1.00 0.00 O ATOM 0 H GLY A 104 -0.512 -13.513 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.133 -12.308 -10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.646 -12.642 -9.754 1.00 0.00 H new ATOM 1582 N SER A 105 -2.437 -10.442 -8.608 1.00 0.00 N ATOM 1583 CA SER A 105 -2.376 -9.223 -7.811 1.00 0.00 C ATOM 1584 C SER A 105 -3.675 -9.013 -7.039 1.00 0.00 C ATOM 1585 O SER A 105 -4.764 -9.274 -7.552 1.00 0.00 O ATOM 1586 CB SER A 105 -2.102 -8.015 -8.708 1.00 0.00 C ATOM 1587 OG SER A 105 -2.994 -7.984 -9.809 1.00 0.00 O ATOM 0 H SER A 105 -3.341 -10.613 -9.049 1.00 0.00 H new ATOM 0 HA SER A 105 -1.561 -9.327 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.203 -7.097 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.074 -8.052 -9.070 1.00 0.00 H new ATOM 0 HG SER A 105 -2.799 -7.202 -10.366 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.552 -8.540 -5.803 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.716 -8.296 -4.959 1.00 0.00 C ATOM 1595 C ARG A 106 -4.718 -6.861 -4.439 1.00 0.00 C ATOM 1596 O ARG A 106 -3.734 -6.397 -3.865 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.735 -9.275 -3.784 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.089 -9.383 -3.103 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.128 -10.004 -4.024 1.00 0.00 C ATOM 1600 NE ARG A 106 -7.828 -8.996 -4.817 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.828 -9.277 -5.645 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.244 -10.528 -5.787 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -9.414 -8.306 -6.333 1.00 0.00 N ATOM 0 H ARG A 106 -2.658 -8.318 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.610 -8.447 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.437 -10.261 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.992 -8.963 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.996 -9.985 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.422 -8.392 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.642 -10.717 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.850 -10.564 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.533 -8.024 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.796 -11.277 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.012 -10.741 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.097 -7.342 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.182 -8.523 -6.969 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.831 -6.165 -4.645 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.962 -4.782 -4.198 1.00 0.00 C ATOM 1619 C ASN A 107 -6.718 -4.708 -2.875 1.00 0.00 C ATOM 1620 O ASN A 107 -7.786 -5.300 -2.724 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.683 -3.948 -5.258 1.00 0.00 C ATOM 1622 CG ASN A 107 -5.881 -3.822 -6.539 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.360 -4.809 -7.057 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.779 -2.602 -7.055 1.00 0.00 N ATOM 0 H ASN A 107 -6.655 -6.535 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.961 -4.378 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.648 -4.403 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.884 -2.954 -4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.252 -2.455 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.228 -1.813 -6.591 1.00 0.00 H new ATOM 1631 N SER A 108 -6.155 -3.976 -1.919 1.00 0.00 N ATOM 1632 CA SER A 108 -6.774 -3.826 -0.607 1.00 0.00 C ATOM 1633 C SER A 108 -7.815 -2.711 -0.621 1.00 0.00 C ATOM 1634 O SER A 108 -8.026 -2.058 -1.643 1.00 0.00 O ATOM 1635 CB SER A 108 -5.710 -3.531 0.452 1.00 0.00 C ATOM 1636 OG SER A 108 -6.190 -3.822 1.753 1.00 0.00 O ATOM 0 H SER A 108 -5.272 -3.478 -2.028 1.00 0.00 H new ATOM 0 HA SER A 108 -7.273 -4.763 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.817 -4.123 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.417 -2.483 0.395 1.00 0.00 H new ATOM 0 HG SER A 108 -5.806 -4.669 2.061 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.464 -2.500 0.520 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.484 -1.465 0.638 1.00 0.00 C ATOM 1644 C GLU A 109 -8.853 -0.075 0.622 1.00 0.00 C ATOM 1645 O GLU A 109 -7.731 0.130 1.085 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.290 -1.656 1.925 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.453 -2.623 1.776 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.688 -1.964 1.193 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -13.469 -1.377 1.971 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -12.874 -2.035 -0.040 1.00 0.00 O ATOM 0 H GLU A 109 -8.301 -3.032 1.375 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.154 -1.552 -0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.626 -2.018 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.672 -0.689 2.252 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.152 -3.452 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.697 -3.045 2.751 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.591 0.903 0.076 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.126 2.290 -0.014 1.00 0.00 C ATOM 1659 C PRO A 110 -9.059 2.968 1.350 1.00 0.00 C ATOM 1660 O PRO A 110 -10.072 3.110 2.036 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.182 2.962 -0.894 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.411 2.141 -0.705 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.938 0.730 -0.495 1.00 0.00 C ATOM 0 HA PRO A 110 -8.114 2.356 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.347 3.997 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.874 2.979 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.986 2.491 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.063 2.208 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.594 0.183 0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.909 0.172 -1.431 1.00 0.00 H new ATOM 1671 N THR A 111 -7.858 3.387 1.739 1.00 0.00 N ATOM 1672 CA THR A 111 -7.659 4.051 3.021 1.00 0.00 C ATOM 1673 C THR A 111 -7.379 5.537 2.834 1.00 0.00 C ATOM 1674 O THR A 111 -6.318 5.921 2.341 1.00 0.00 O ATOM 1675 CB THR A 111 -6.496 3.416 3.807 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.721 2.011 3.966 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.347 4.068 5.174 1.00 0.00 C ATOM 0 H THR A 111 -7.009 3.278 1.184 1.00 0.00 H new ATOM 0 HA THR A 111 -8.582 3.927 3.587 1.00 0.00 H new ATOM 0 HB THR A 111 -5.577 3.575 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.449 1.736 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.520 3.603 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.147 5.132 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.268 3.936 5.742 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.336 6.370 3.231 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.191 7.815 3.106 1.00 0.00 C ATOM 1687 C ARG A 112 -7.548 8.407 4.356 1.00 0.00 C ATOM 1688 O ARG A 112 -7.931 8.079 5.480 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.555 8.466 2.864 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.722 7.648 3.390 1.00 0.00 C ATOM 1691 CD ARG A 112 -12.051 8.339 3.126 1.00 0.00 C ATOM 1692 NE ARG A 112 -13.002 8.130 4.214 1.00 0.00 N ATOM 1693 CZ ARG A 112 -14.315 8.285 4.082 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -14.829 8.648 2.915 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -15.116 8.076 5.119 1.00 0.00 N ATOM 0 H ARG A 112 -9.220 6.069 3.642 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.542 8.018 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.568 9.448 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.687 8.626 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.721 6.666 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.601 7.487 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.883 9.408 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.476 7.963 2.195 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.639 7.850 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.216 8.809 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.837 8.766 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.724 7.796 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.124 8.195 5.017 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.568 9.281 4.154 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.871 9.920 5.264 1.00 0.00 C ATOM 1711 C LEU A 113 -5.815 11.432 5.075 1.00 0.00 C ATOM 1712 O LEU A 113 -6.227 11.955 4.039 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.453 9.358 5.393 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.340 7.836 5.485 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.935 7.382 5.122 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.713 7.358 6.881 1.00 0.00 C ATOM 0 H LEU A 113 -6.238 9.563 3.231 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.425 9.707 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.871 9.694 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.992 9.791 6.281 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.037 7.395 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.874 6.296 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.704 7.692 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.218 7.832 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.627 6.272 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.040 7.808 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.739 7.651 7.104 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.303 12.131 6.083 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.190 13.583 6.028 1.00 0.00 C ATOM 1730 C LYS A 114 -3.879 14.051 6.653 1.00 0.00 C ATOM 1731 O LYS A 114 -3.447 13.528 7.681 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.372 14.235 6.748 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.575 14.473 5.851 1.00 0.00 C ATOM 1734 CD LYS A 114 -7.538 15.856 5.224 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.209 16.890 6.115 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.105 18.263 5.547 1.00 0.00 N ATOM 0 H LYS A 114 -4.960 11.714 6.948 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.200 13.884 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.672 13.602 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.050 15.187 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.600 13.717 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.491 14.360 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.503 16.147 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.036 15.831 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.259 16.630 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.750 16.870 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.574 18.938 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.103 18.522 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.565 18.289 4.615 1.00 0.00 H new ATOM 1750 N THR A 115 -3.250 15.041 6.027 1.00 0.00 N ATOM 1751 CA THR A 115 -1.990 15.580 6.522 1.00 0.00 C ATOM 1752 C THR A 115 -2.227 16.720 7.506 1.00 0.00 C ATOM 1753 O THR A 115 -3.369 17.074 7.796 1.00 0.00 O ATOM 1754 CB THR A 115 -1.104 16.088 5.369 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.821 17.053 4.590 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.662 14.937 4.478 1.00 0.00 C ATOM 0 H THR A 115 -3.593 15.486 5.176 1.00 0.00 H new ATOM 0 HA THR A 115 -1.477 14.765 7.032 1.00 0.00 H new ATOM 0 HB THR A 115 -0.218 16.554 5.799 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.479 17.051 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.038 15.321 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.092 14.219 5.067 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.539 14.446 4.056 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.141 17.291 8.016 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.232 18.392 8.968 1.00 0.00 C ATOM 1766 C ASN A 116 -0.975 19.729 8.279 1.00 0.00 C ATOM 1767 O ASN A 116 -0.476 19.774 7.155 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.231 18.192 10.108 1.00 0.00 C ATOM 1769 CG ASN A 116 1.206 18.357 9.651 1.00 0.00 C ATOM 1770 OD1 ASN A 116 1.632 19.454 9.292 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.959 17.264 9.664 1.00 0.00 N ATOM 0 H ASN A 116 -0.188 17.010 7.786 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.242 18.403 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.441 18.908 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.362 17.197 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 116 2.934 17.313 9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.563 16.375 9.970 1.00 0.00 H new