USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 972 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 29 GLN : amide:sc= -9.28! C(o=-17!,f=-3.1!) USER MOD Set 1.2: A 122 GLN : amide:sc= -8.01! C(o=-17!,f=-4!) USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.8!) USER MOD Set 3.1: A 34 MET CE :methyl 164:sc= -4.1! (180deg=-4.72!) USER MOD Set 3.2: A 126 SER OG : rot 180:sc= -0.523 USER MOD Single : A 18 HIS : no HD1:sc= -1 K(o=-1,f=-0.16) USER MOD Single : A 22 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.49) USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.203 (180deg=-1.23) USER MOD Single : A 28 SER OG : rot -97:sc= 1.22 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -1.28 (180deg=-2.53!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 100:sc= -0.881 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.605 K(o=-0.6,f=-1.2) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.61! USER MOD Single : A 57 CYS SG : rot 180:sc= -1.9! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -23:sc= 0.13 USER MOD Single : A 70 ASN : amide:sc= -0.0722 K(o=-0.072,f=-3!) USER MOD Single : A 72 TYR OH : rot 120:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00713 K(o=-0.0071,f=-1.3!) USER MOD Single : A 83 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.076) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000455) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0.333! (180deg=-0.0556!) USER MOD Single : A 94 THR OG1 : rot -160:sc= -0.394 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 133:sc= 1.06 USER MOD Single : A 99 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.54) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -61:sc= 1.16 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.09) USER MOD Single : A 134 GLN : amide:sc= -1.05 X(o=-1,f=-1) USER MOD ----------------------------------------------------------------- ATOM 240 N GLY A 17 -4.787 -18.575 4.372 1.00 0.00 N ATOM 241 CA GLY A 17 -4.612 -17.605 5.446 1.00 0.00 C ATOM 242 C GLY A 17 -3.200 -17.031 5.429 1.00 0.00 C ATOM 243 O GLY A 17 -2.744 -16.449 6.413 1.00 0.00 O ATOM 0 HA2 GLY A 17 -5.339 -16.800 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.805 -18.081 6.407 1.00 0.00 H new ATOM 247 N HIS A 18 -2.513 -17.201 4.303 1.00 0.00 N ATOM 248 CA HIS A 18 -1.151 -16.699 4.165 1.00 0.00 C ATOM 249 C HIS A 18 -1.090 -15.594 3.115 1.00 0.00 C ATOM 250 O HIS A 18 -1.923 -15.537 2.211 1.00 0.00 O ATOM 251 CB HIS A 18 -0.217 -17.842 3.763 1.00 0.00 C ATOM 252 CG HIS A 18 -0.650 -19.105 4.454 1.00 0.00 C ATOM 253 ND1 HIS A 18 -0.676 -20.331 3.807 1.00 0.00 N ATOM 254 CD2 HIS A 18 -1.083 -19.349 5.734 1.00 0.00 C ATOM 255 CE1 HIS A 18 -1.112 -21.248 4.690 1.00 0.00 C ATOM 256 NE2 HIS A 18 -1.375 -20.702 5.881 1.00 0.00 N ATOM 0 H HIS A 18 -2.875 -17.680 3.478 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.834 -16.288 5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.237 -17.980 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.811 -17.600 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.182 -18.604 6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.234 -22.297 4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.716 -21.175 6.718 1.00 0.00 H new ATOM 264 N ILE A 19 -0.100 -14.717 3.243 1.00 0.00 N ATOM 265 CA ILE A 19 0.060 -13.615 2.301 1.00 0.00 C ATOM 266 C ILE A 19 1.239 -13.872 1.369 1.00 0.00 C ATOM 267 O ILE A 19 2.179 -14.582 1.724 1.00 0.00 O ATOM 268 CB ILE A 19 0.281 -12.307 3.060 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.013 -11.909 3.774 1.00 0.00 C ATOM 270 CG2 ILE A 19 0.679 -11.204 2.076 1.00 0.00 C ATOM 271 CD1 ILE A 19 -0.764 -10.667 4.632 1.00 0.00 C ATOM 0 H ILE A 19 0.600 -14.747 3.985 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.849 -13.538 1.704 1.00 0.00 H new ATOM 0 HB ILE A 19 1.076 -12.443 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.796 -11.708 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.363 -12.731 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.836 -10.272 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.600 -11.487 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.115 -11.067 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.686 -10.385 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.006 -10.885 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.434 -9.846 3.996 1.00 0.00 H new ATOM 283 N VAL A 20 1.184 -13.288 0.176 1.00 0.00 N ATOM 284 CA VAL A 20 2.255 -13.462 -0.797 1.00 0.00 C ATOM 285 C VAL A 20 3.030 -12.162 -0.982 1.00 0.00 C ATOM 286 O VAL A 20 2.453 -11.123 -1.304 1.00 0.00 O ATOM 287 CB VAL A 20 1.676 -13.907 -2.141 1.00 0.00 C ATOM 288 CG1 VAL A 20 2.814 -14.137 -3.137 1.00 0.00 C ATOM 289 CG2 VAL A 20 0.895 -15.210 -1.953 1.00 0.00 C ATOM 0 H VAL A 20 0.416 -12.695 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 20 2.935 -14.227 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 20 1.010 -13.133 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.401 -14.454 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.372 -13.211 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.481 -14.910 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.482 -15.528 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.563 -15.982 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.084 -15.049 -1.243 1.00 0.00 H new ATOM 299 N ALA A 21 4.341 -12.226 -0.773 1.00 0.00 N ATOM 300 CA ALA A 21 5.187 -11.048 -0.918 1.00 0.00 C ATOM 301 C ALA A 21 6.029 -11.143 -2.186 1.00 0.00 C ATOM 302 O ALA A 21 6.387 -12.237 -2.625 1.00 0.00 O ATOM 303 CB ALA A 21 6.105 -10.913 0.299 1.00 0.00 C ATOM 0 H ALA A 21 4.838 -13.075 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 21 4.545 -10.170 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.734 -10.031 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.501 -10.813 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.734 -11.799 0.380 1.00 0.00 H new ATOM 309 N ASN A 22 6.344 -9.991 -2.768 1.00 0.00 N ATOM 310 CA ASN A 22 7.146 -9.954 -3.986 1.00 0.00 C ATOM 311 C ASN A 22 8.609 -10.246 -3.669 1.00 0.00 C ATOM 312 O ASN A 22 9.137 -9.790 -2.654 1.00 0.00 O ATOM 313 CB ASN A 22 7.030 -8.579 -4.646 1.00 0.00 C ATOM 314 CG ASN A 22 7.634 -8.618 -6.046 1.00 0.00 C ATOM 315 OD1 ASN A 22 8.003 -7.578 -6.592 1.00 0.00 O ATOM 316 ND2 ASN A 22 7.755 -9.761 -6.662 1.00 0.00 N ATOM 0 H ASN A 22 6.059 -9.076 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 22 6.773 -10.717 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.983 -8.280 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.543 -7.832 -4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.156 -9.795 -7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.448 -10.621 -6.207 1.00 0.00 H new ATOM 323 N GLU A 23 9.260 -11.006 -4.544 1.00 0.00 N ATOM 324 CA GLU A 23 10.664 -11.349 -4.343 1.00 0.00 C ATOM 325 C GLU A 23 11.466 -10.108 -3.964 1.00 0.00 C ATOM 326 O GLU A 23 12.475 -10.199 -3.264 1.00 0.00 O ATOM 327 CB GLU A 23 11.241 -11.965 -5.619 1.00 0.00 C ATOM 328 CG GLU A 23 12.651 -12.491 -5.343 1.00 0.00 C ATOM 329 CD GLU A 23 12.669 -14.012 -5.443 1.00 0.00 C ATOM 330 OE1 GLU A 23 11.714 -14.627 -4.998 1.00 0.00 O ATOM 331 OE2 GLU A 23 13.637 -14.541 -5.964 1.00 0.00 O ATOM 0 H GLU A 23 8.843 -11.393 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 23 10.730 -12.074 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.601 -12.776 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.269 -11.220 -6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.354 -12.063 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.976 -12.180 -4.350 1.00 0.00 H new ATOM 338 N LYS A 24 11.009 -8.950 -4.428 1.00 0.00 N ATOM 339 CA LYS A 24 11.690 -7.696 -4.130 1.00 0.00 C ATOM 340 C LYS A 24 11.254 -7.165 -2.769 1.00 0.00 C ATOM 341 O LYS A 24 12.084 -6.872 -1.909 1.00 0.00 O ATOM 342 CB LYS A 24 11.376 -6.659 -5.209 1.00 0.00 C ATOM 343 CG LYS A 24 12.233 -5.411 -4.983 1.00 0.00 C ATOM 344 CD LYS A 24 11.529 -4.193 -5.583 1.00 0.00 C ATOM 345 CE LYS A 24 11.450 -4.347 -7.102 1.00 0.00 C ATOM 346 NZ LYS A 24 12.809 -4.633 -7.643 1.00 0.00 N ATOM 0 H LYS A 24 10.176 -8.854 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 24 12.764 -7.882 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.574 -7.075 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.318 -6.397 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.399 -5.259 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.213 -5.541 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.527 -4.096 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.072 -3.283 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.766 -5.155 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.052 -3.437 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.853 -4.344 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.518 -4.104 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.005 -5.652 -7.569 1.00 0.00 H new ATOM 360 N TRP A 25 9.944 -7.047 -2.582 1.00 0.00 N ATOM 361 CA TRP A 25 9.403 -6.553 -1.321 1.00 0.00 C ATOM 362 C TRP A 25 9.508 -7.627 -0.243 1.00 0.00 C ATOM 363 O TRP A 25 8.748 -7.624 0.727 1.00 0.00 O ATOM 364 CB TRP A 25 7.939 -6.149 -1.506 1.00 0.00 C ATOM 365 CG TRP A 25 7.495 -5.327 -0.339 1.00 0.00 C ATOM 366 CD1 TRP A 25 6.499 -5.663 0.513 1.00 0.00 C ATOM 367 CD2 TRP A 25 8.009 -4.043 0.118 1.00 0.00 C ATOM 368 NE1 TRP A 25 6.370 -4.666 1.464 1.00 0.00 N ATOM 369 CE2 TRP A 25 7.278 -3.647 1.263 1.00 0.00 C ATOM 370 CE3 TRP A 25 9.029 -3.192 -0.345 1.00 0.00 C ATOM 371 CZ2 TRP A 25 7.549 -2.448 1.925 1.00 0.00 C ATOM 372 CZ3 TRP A 25 9.304 -1.985 0.319 1.00 0.00 C ATOM 373 CH2 TRP A 25 8.565 -1.614 1.451 1.00 0.00 C ATOM 0 H TRP A 25 9.241 -7.285 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 25 9.981 -5.683 -1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.822 -5.582 -2.429 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.314 -7.038 -1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 25 5.903 -6.562 0.460 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.687 -4.683 2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.604 -3.468 -1.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.977 -2.167 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 10.089 -1.339 -0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.781 -0.684 1.956 1.00 0.00 H new ATOM 384 N ARG A 26 10.452 -8.544 -0.422 1.00 0.00 N ATOM 385 CA ARG A 26 10.651 -9.625 0.538 1.00 0.00 C ATOM 386 C ARG A 26 11.477 -9.145 1.727 1.00 0.00 C ATOM 387 O ARG A 26 10.995 -9.119 2.859 1.00 0.00 O ATOM 388 CB ARG A 26 11.363 -10.796 -0.141 1.00 0.00 C ATOM 389 CG ARG A 26 11.971 -11.714 0.920 1.00 0.00 C ATOM 390 CD ARG A 26 12.387 -13.035 0.274 1.00 0.00 C ATOM 391 NE ARG A 26 13.720 -12.914 -0.310 1.00 0.00 N ATOM 392 CZ ARG A 26 14.800 -13.323 0.349 1.00 0.00 C ATOM 393 NH1 ARG A 26 14.683 -13.843 1.541 1.00 0.00 N ATOM 394 NH2 ARG A 26 15.980 -13.204 -0.196 1.00 0.00 N ATOM 0 H ARG A 26 11.089 -8.562 -1.218 1.00 0.00 H new ATOM 0 HA ARG A 26 9.675 -9.950 0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.659 -11.354 -0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.144 -10.424 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.835 -11.234 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.248 -11.897 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.379 -13.831 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.668 -13.313 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 26 13.824 -12.508 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.762 -13.936 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.513 -14.156 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.073 -12.797 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.809 -13.518 0.309 1.00 0.00 H new ATOM 408 N GLY A 27 12.724 -8.768 1.463 1.00 0.00 N ATOM 409 CA GLY A 27 13.609 -8.293 2.521 1.00 0.00 C ATOM 410 C GLY A 27 13.144 -6.942 3.055 1.00 0.00 C ATOM 411 O GLY A 27 13.920 -5.988 3.118 1.00 0.00 O ATOM 0 H GLY A 27 13.142 -8.782 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.635 -9.020 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.626 -8.207 2.138 1.00 0.00 H new ATOM 415 N SER A 28 11.874 -6.868 3.438 1.00 0.00 N ATOM 416 CA SER A 28 11.316 -5.629 3.964 1.00 0.00 C ATOM 417 C SER A 28 10.988 -5.774 5.447 1.00 0.00 C ATOM 418 O SER A 28 10.516 -6.822 5.889 1.00 0.00 O ATOM 419 CB SER A 28 10.049 -5.259 3.193 1.00 0.00 C ATOM 420 OG SER A 28 9.221 -6.409 3.070 1.00 0.00 O ATOM 0 H SER A 28 11.216 -7.646 3.394 1.00 0.00 H new ATOM 0 HA SER A 28 12.058 -4.839 3.844 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.513 -4.464 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.309 -4.876 2.206 1.00 0.00 H new ATOM 0 HG SER A 28 9.370 -6.827 2.196 1.00 0.00 H new ATOM 426 N GLN A 29 11.244 -4.717 6.210 1.00 0.00 N ATOM 427 CA GLN A 29 10.975 -4.735 7.642 1.00 0.00 C ATOM 428 C GLN A 29 9.512 -5.073 7.912 1.00 0.00 C ATOM 429 O GLN A 29 9.176 -5.637 8.953 1.00 0.00 O ATOM 430 CB GLN A 29 11.307 -3.373 8.253 1.00 0.00 C ATOM 431 CG GLN A 29 12.764 -3.018 7.952 1.00 0.00 C ATOM 432 CD GLN A 29 12.956 -1.508 8.026 1.00 0.00 C ATOM 433 OE1 GLN A 29 13.918 -1.032 8.630 1.00 0.00 O ATOM 434 NE2 GLN A 29 12.094 -0.720 7.444 1.00 0.00 N ATOM 0 H GLN A 29 11.635 -3.841 5.863 1.00 0.00 H new ATOM 0 HA GLN A 29 11.602 -5.501 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.644 -2.609 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.143 -3.396 9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.423 -3.512 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.038 -3.380 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.298 -1.116 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.216 0.292 7.489 1.00 0.00 H new ATOM 443 N LEU A 30 8.647 -4.722 6.967 1.00 0.00 N ATOM 444 CA LEU A 30 7.220 -4.993 7.111 1.00 0.00 C ATOM 445 C LEU A 30 6.973 -6.493 7.225 1.00 0.00 C ATOM 446 O LEU A 30 6.529 -6.985 8.262 1.00 0.00 O ATOM 447 CB LEU A 30 6.480 -4.450 5.885 1.00 0.00 C ATOM 448 CG LEU A 30 4.988 -4.281 6.187 1.00 0.00 C ATOM 449 CD1 LEU A 30 4.436 -5.536 6.866 1.00 0.00 C ATOM 450 CD2 LEU A 30 4.785 -3.073 7.103 1.00 0.00 C ATOM 0 H LEU A 30 8.905 -4.253 6.099 1.00 0.00 H new ATOM 0 HA LEU A 30 6.855 -4.506 8.015 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.908 -3.492 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.611 -5.130 5.043 1.00 0.00 H new ATOM 0 HG LEU A 30 4.455 -4.125 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.375 -5.400 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.570 -6.394 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.970 -5.709 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.723 -2.953 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.328 -3.228 8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.159 -2.176 6.610 1.00 0.00 H new ATOM 462 N ALA A 31 7.259 -7.208 6.145 1.00 0.00 N ATOM 463 CA ALA A 31 7.064 -8.655 6.118 1.00 0.00 C ATOM 464 C ALA A 31 7.887 -9.336 7.207 1.00 0.00 C ATOM 465 O ALA A 31 7.555 -10.434 7.652 1.00 0.00 O ATOM 466 CB ALA A 31 7.472 -9.208 4.753 1.00 0.00 C ATOM 0 H ALA A 31 7.625 -6.814 5.279 1.00 0.00 H new ATOM 0 HA ALA A 31 6.009 -8.860 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.324 -10.288 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.861 -8.748 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.522 -8.983 4.569 1.00 0.00 H new ATOM 472 N GLN A 32 8.964 -8.682 7.629 1.00 0.00 N ATOM 473 CA GLN A 32 9.829 -9.240 8.661 1.00 0.00 C ATOM 474 C GLN A 32 9.032 -9.558 9.923 1.00 0.00 C ATOM 475 O GLN A 32 9.111 -10.666 10.454 1.00 0.00 O ATOM 476 CB GLN A 32 10.945 -8.249 8.997 1.00 0.00 C ATOM 477 CG GLN A 32 12.210 -9.017 9.386 1.00 0.00 C ATOM 478 CD GLN A 32 13.068 -8.170 10.320 1.00 0.00 C ATOM 479 OE1 GLN A 32 14.019 -7.525 9.876 1.00 0.00 O ATOM 480 NE2 GLN A 32 12.788 -8.131 11.593 1.00 0.00 N ATOM 0 H GLN A 32 9.257 -7.771 7.275 1.00 0.00 H new ATOM 0 HA GLN A 32 10.263 -10.164 8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.146 -7.607 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.635 -7.600 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.941 -9.953 9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.778 -9.276 8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.000 -8.666 11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.357 -7.566 12.223 1.00 0.00 H new ATOM 489 N GLU A 33 8.272 -8.581 10.401 1.00 0.00 N ATOM 490 CA GLU A 33 7.471 -8.770 11.605 1.00 0.00 C ATOM 491 C GLU A 33 6.308 -9.722 11.340 1.00 0.00 C ATOM 492 O GLU A 33 6.043 -10.627 12.130 1.00 0.00 O ATOM 493 CB GLU A 33 6.929 -7.424 12.088 1.00 0.00 C ATOM 494 CG GLU A 33 8.084 -6.559 12.593 1.00 0.00 C ATOM 495 CD GLU A 33 7.818 -5.093 12.265 1.00 0.00 C ATOM 496 OE1 GLU A 33 8.069 -4.705 11.137 1.00 0.00 O ATOM 497 OE2 GLU A 33 7.367 -4.383 13.148 1.00 0.00 O ATOM 0 H GLU A 33 8.193 -7.656 9.978 1.00 0.00 H new ATOM 0 HA GLU A 33 8.109 -9.204 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.409 -6.917 11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.201 -7.578 12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.200 -6.684 13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.018 -6.880 12.132 1.00 0.00 H new ATOM 504 N MET A 34 5.616 -9.508 10.227 1.00 0.00 N ATOM 505 CA MET A 34 4.479 -10.350 9.871 1.00 0.00 C ATOM 506 C MET A 34 4.850 -11.828 9.959 1.00 0.00 C ATOM 507 O MET A 34 3.989 -12.680 10.181 1.00 0.00 O ATOM 508 CB MET A 34 4.010 -10.022 8.453 1.00 0.00 C ATOM 509 CG MET A 34 3.687 -8.530 8.356 1.00 0.00 C ATOM 510 SD MET A 34 2.368 -8.122 9.526 1.00 0.00 S ATOM 511 CE MET A 34 3.405 -7.310 10.768 1.00 0.00 C ATOM 0 H MET A 34 5.820 -8.764 9.559 1.00 0.00 H new ATOM 0 HA MET A 34 3.672 -10.151 10.576 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.784 -10.285 7.732 1.00 0.00 H new ATOM 0 HB3 MET A 34 3.129 -10.613 8.204 1.00 0.00 H new ATOM 0 HG2 MET A 34 4.577 -7.939 8.574 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.378 -8.279 7.341 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.776 -6.731 11.444 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.950 -8.064 11.336 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.113 -6.646 10.273 1.00 0.00 H new ATOM 521 N GLN A 35 6.132 -12.129 9.784 1.00 0.00 N ATOM 522 CA GLN A 35 6.594 -13.512 9.848 1.00 0.00 C ATOM 523 C GLN A 35 6.682 -13.981 11.297 1.00 0.00 C ATOM 524 O GLN A 35 7.041 -15.127 11.568 1.00 0.00 O ATOM 525 CB GLN A 35 7.969 -13.639 9.186 1.00 0.00 C ATOM 526 CG GLN A 35 7.810 -13.650 7.662 1.00 0.00 C ATOM 527 CD GLN A 35 9.016 -14.326 7.017 1.00 0.00 C ATOM 528 OE1 GLN A 35 9.567 -13.815 6.042 1.00 0.00 O ATOM 529 NE2 GLN A 35 9.460 -15.451 7.506 1.00 0.00 N ATOM 0 H GLN A 35 6.863 -11.443 9.599 1.00 0.00 H new ATOM 0 HA GLN A 35 5.877 -14.137 9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.607 -12.809 9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.459 -14.555 9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.897 -14.178 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.713 -12.630 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.002 -15.872 8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.266 -15.909 7.080 1.00 0.00 H new ATOM 538 N GLY A 36 6.349 -13.088 12.223 1.00 0.00 N ATOM 539 CA GLY A 36 6.392 -13.424 13.642 1.00 0.00 C ATOM 540 C GLY A 36 4.990 -13.676 14.183 1.00 0.00 C ATOM 541 O GLY A 36 4.799 -13.851 15.386 1.00 0.00 O ATOM 0 H GLY A 36 6.049 -12.135 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.009 -14.310 13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.860 -12.612 14.198 1.00 0.00 H new ATOM 545 N LYS A 37 4.010 -13.693 13.285 1.00 0.00 N ATOM 546 CA LYS A 37 2.627 -13.926 13.684 1.00 0.00 C ATOM 547 C LYS A 37 1.863 -14.640 12.574 1.00 0.00 C ATOM 548 O LYS A 37 1.169 -15.627 12.820 1.00 0.00 O ATOM 549 CB LYS A 37 1.942 -12.595 14.003 1.00 0.00 C ATOM 550 CG LYS A 37 1.846 -12.422 15.521 1.00 0.00 C ATOM 551 CD LYS A 37 1.102 -11.125 15.844 1.00 0.00 C ATOM 552 CE LYS A 37 2.010 -9.925 15.561 1.00 0.00 C ATOM 553 NZ LYS A 37 1.544 -9.229 14.329 1.00 0.00 N ATOM 0 H LYS A 37 4.146 -13.549 12.284 1.00 0.00 H new ATOM 0 HA LYS A 37 2.627 -14.556 14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.505 -11.770 13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.947 -12.571 13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.324 -13.272 15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.844 -12.399 15.958 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.194 -11.056 15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.794 -11.122 16.890 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.996 -9.238 16.407 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.041 -10.257 15.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.756 -8.214 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.032 -9.625 13.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.518 -9.361 14.222 1.00 0.00 H new ATOM 567 N ILE A 38 1.998 -14.138 11.351 1.00 0.00 N ATOM 568 CA ILE A 38 1.316 -14.739 10.211 1.00 0.00 C ATOM 569 C ILE A 38 2.325 -15.346 9.241 1.00 0.00 C ATOM 570 O ILE A 38 3.530 -15.131 9.367 1.00 0.00 O ATOM 571 CB ILE A 38 0.476 -13.681 9.488 1.00 0.00 C ATOM 572 CG1 ILE A 38 -0.759 -14.351 8.872 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.311 -13.021 8.387 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.176 -13.608 7.600 1.00 0.00 C ATOM 0 H ILE A 38 2.569 -13.323 11.125 1.00 0.00 H new ATOM 0 HA ILE A 38 0.663 -15.531 10.577 1.00 0.00 H new ATOM 0 HB ILE A 38 0.160 -12.918 10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.540 -15.393 8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.580 -14.350 9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.710 -12.269 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.186 -12.546 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.632 -13.778 7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.053 -14.090 7.168 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.414 -12.573 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.358 -13.632 6.880 1.00 0.00 H new ATOM 586 N LYS A 39 1.823 -16.104 8.273 1.00 0.00 N ATOM 587 CA LYS A 39 2.686 -16.738 7.286 1.00 0.00 C ATOM 588 C LYS A 39 2.788 -15.874 6.032 1.00 0.00 C ATOM 589 O LYS A 39 1.876 -15.109 5.718 1.00 0.00 O ATOM 590 CB LYS A 39 2.131 -18.114 6.917 1.00 0.00 C ATOM 591 CG LYS A 39 3.277 -19.028 6.481 1.00 0.00 C ATOM 592 CD LYS A 39 3.814 -19.785 7.697 1.00 0.00 C ATOM 593 CE LYS A 39 4.856 -20.809 7.242 1.00 0.00 C ATOM 594 NZ LYS A 39 4.174 -22.086 6.887 1.00 0.00 N ATOM 0 H LYS A 39 0.828 -16.293 8.151 1.00 0.00 H new ATOM 0 HA LYS A 39 3.681 -16.852 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.610 -18.548 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.401 -18.020 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.928 -19.732 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.073 -18.439 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.260 -19.087 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.997 -20.287 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.406 -20.427 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.583 -20.981 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.881 -22.783 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.668 -22.452 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.496 -21.915 6.117 1.00 0.00 H new ATOM 608 N LEU A 40 3.902 -16.002 5.320 1.00 0.00 N ATOM 609 CA LEU A 40 4.112 -15.229 4.102 1.00 0.00 C ATOM 610 C LEU A 40 4.860 -16.060 3.065 1.00 0.00 C ATOM 611 O LEU A 40 5.811 -16.769 3.392 1.00 0.00 O ATOM 612 CB LEU A 40 4.911 -13.964 4.418 1.00 0.00 C ATOM 613 CG LEU A 40 3.951 -12.797 4.659 1.00 0.00 C ATOM 614 CD1 LEU A 40 4.535 -11.866 5.722 1.00 0.00 C ATOM 615 CD2 LEU A 40 3.756 -12.021 3.354 1.00 0.00 C ATOM 0 H LEU A 40 4.669 -16.629 5.563 1.00 0.00 H new ATOM 0 HA LEU A 40 3.139 -14.951 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.532 -14.125 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.583 -13.731 3.592 1.00 0.00 H new ATOM 0 HG LEU A 40 2.990 -13.182 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.851 -11.035 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.676 -12.418 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.496 -11.481 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.072 -11.189 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.717 -11.637 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.340 -12.684 2.595 1.00 0.00 H new ATOM 627 N ILE A 41 4.426 -15.963 1.813 1.00 0.00 N ATOM 628 CA ILE A 41 5.063 -16.708 0.735 1.00 0.00 C ATOM 629 C ILE A 41 5.683 -15.754 -0.281 1.00 0.00 C ATOM 630 O ILE A 41 5.042 -14.800 -0.721 1.00 0.00 O ATOM 631 CB ILE A 41 4.036 -17.603 0.040 1.00 0.00 C ATOM 632 CG1 ILE A 41 3.012 -18.095 1.067 1.00 0.00 C ATOM 633 CG2 ILE A 41 4.744 -18.805 -0.585 1.00 0.00 C ATOM 634 CD1 ILE A 41 2.003 -19.019 0.382 1.00 0.00 C ATOM 0 H ILE A 41 3.641 -15.380 1.522 1.00 0.00 H new ATOM 0 HA ILE A 41 5.852 -17.327 1.162 1.00 0.00 H new ATOM 0 HB ILE A 41 3.529 -17.034 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.517 -18.626 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.497 -17.247 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.011 -19.442 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.475 -18.458 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.252 -19.374 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.275 -19.369 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.489 -18.474 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.525 -19.874 -0.047 1.00 0.00 H new ATOM 646 N PHE A 42 6.934 -16.014 -0.644 1.00 0.00 N ATOM 647 CA PHE A 42 7.630 -15.168 -1.608 1.00 0.00 C ATOM 648 C PHE A 42 7.372 -15.646 -3.034 1.00 0.00 C ATOM 649 O PHE A 42 7.481 -16.836 -3.328 1.00 0.00 O ATOM 650 CB PHE A 42 9.134 -15.185 -1.327 1.00 0.00 C ATOM 651 CG PHE A 42 9.373 -15.500 0.129 1.00 0.00 C ATOM 652 CD1 PHE A 42 9.406 -16.832 0.561 1.00 0.00 C ATOM 653 CD2 PHE A 42 9.564 -14.462 1.050 1.00 0.00 C ATOM 654 CE1 PHE A 42 9.628 -17.125 1.911 1.00 0.00 C ATOM 655 CE2 PHE A 42 9.787 -14.756 2.400 1.00 0.00 C ATOM 656 CZ PHE A 42 9.820 -16.088 2.830 1.00 0.00 C ATOM 0 H PHE A 42 7.484 -16.797 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 42 7.251 -14.151 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.623 -15.929 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.572 -14.219 -1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.260 -17.633 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.539 -13.435 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.651 -18.152 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 42 9.934 -13.955 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 42 9.994 -16.315 3.871 1.00 0.00 H new ATOM 666 N GLU A 43 7.030 -14.710 -3.913 1.00 0.00 N ATOM 667 CA GLU A 43 6.759 -15.046 -5.307 1.00 0.00 C ATOM 668 C GLU A 43 7.340 -13.985 -6.236 1.00 0.00 C ATOM 669 O GLU A 43 6.999 -12.806 -6.137 1.00 0.00 O ATOM 670 CB GLU A 43 5.250 -15.156 -5.535 1.00 0.00 C ATOM 671 CG GLU A 43 4.854 -16.630 -5.645 1.00 0.00 C ATOM 672 CD GLU A 43 3.336 -16.760 -5.710 1.00 0.00 C ATOM 673 OE1 GLU A 43 2.766 -16.331 -6.700 1.00 0.00 O ATOM 674 OE2 GLU A 43 2.766 -17.286 -4.769 1.00 0.00 O ATOM 0 H GLU A 43 6.934 -13.720 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 43 7.230 -16.004 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.712 -14.685 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.970 -14.625 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.303 -17.070 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.238 -17.183 -4.788 1.00 0.00 H new ATOM 681 N ASP A 44 8.221 -14.411 -7.137 1.00 0.00 N ATOM 682 CA ASP A 44 8.844 -13.487 -8.078 1.00 0.00 C ATOM 683 C ASP A 44 7.900 -13.181 -9.236 1.00 0.00 C ATOM 684 O ASP A 44 7.139 -14.043 -9.675 1.00 0.00 O ATOM 685 CB ASP A 44 10.140 -14.091 -8.622 1.00 0.00 C ATOM 686 CG ASP A 44 9.839 -15.390 -9.360 1.00 0.00 C ATOM 687 OD1 ASP A 44 9.423 -16.334 -8.709 1.00 0.00 O ATOM 688 OD2 ASP A 44 10.030 -15.423 -10.564 1.00 0.00 O ATOM 0 H ASP A 44 8.517 -15.382 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 44 9.067 -12.559 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.626 -13.385 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.834 -14.280 -7.804 1.00 0.00 H new ATOM 693 N GLY A 45 7.955 -11.947 -9.726 1.00 0.00 N ATOM 694 CA GLY A 45 7.100 -11.535 -10.833 1.00 0.00 C ATOM 695 C GLY A 45 6.028 -10.560 -10.361 1.00 0.00 C ATOM 696 O GLY A 45 5.632 -9.654 -11.096 1.00 0.00 O ATOM 0 H GLY A 45 8.578 -11.219 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.705 -11.068 -11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.629 -12.411 -11.279 1.00 0.00 H new ATOM 700 N LEU A 46 5.562 -10.751 -9.132 1.00 0.00 N ATOM 701 CA LEU A 46 4.533 -9.880 -8.575 1.00 0.00 C ATOM 702 C LEU A 46 4.902 -8.414 -8.779 1.00 0.00 C ATOM 703 O LEU A 46 6.054 -8.021 -8.593 1.00 0.00 O ATOM 704 CB LEU A 46 4.364 -10.161 -7.081 1.00 0.00 C ATOM 705 CG LEU A 46 3.850 -11.588 -6.884 1.00 0.00 C ATOM 706 CD1 LEU A 46 3.629 -11.848 -5.392 1.00 0.00 C ATOM 707 CD2 LEU A 46 2.527 -11.762 -7.633 1.00 0.00 C ATOM 0 H LEU A 46 5.876 -11.494 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 46 3.595 -10.082 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.316 -10.032 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.666 -9.448 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 46 4.583 -12.295 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.263 -12.865 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.571 -11.724 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.896 -11.141 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.161 -12.779 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.794 -11.055 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.683 -11.576 -8.696 1.00 0.00 H new ATOM 719 N THR A 47 3.915 -7.612 -9.160 1.00 0.00 N ATOM 720 CA THR A 47 4.140 -6.190 -9.386 1.00 0.00 C ATOM 721 C THR A 47 3.958 -5.394 -8.089 1.00 0.00 C ATOM 722 O THR A 47 4.839 -4.628 -7.703 1.00 0.00 O ATOM 723 CB THR A 47 3.184 -5.672 -10.471 1.00 0.00 C ATOM 724 OG1 THR A 47 3.838 -5.726 -11.731 1.00 0.00 O ATOM 725 CG2 THR A 47 2.779 -4.225 -10.173 1.00 0.00 C ATOM 0 H THR A 47 2.956 -7.920 -9.318 1.00 0.00 H new ATOM 0 HA THR A 47 5.167 -6.053 -9.724 1.00 0.00 H new ATOM 0 HB THR A 47 2.289 -6.294 -10.486 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.545 -6.524 -12.218 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.101 -3.870 -10.949 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.279 -4.179 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.668 -3.595 -10.152 1.00 0.00 H new ATOM 733 N PRO A 48 2.844 -5.556 -7.414 1.00 0.00 N ATOM 734 CA PRO A 48 2.577 -4.826 -6.139 1.00 0.00 C ATOM 735 C PRO A 48 3.503 -5.277 -5.013 1.00 0.00 C ATOM 736 O PRO A 48 4.585 -5.808 -5.263 1.00 0.00 O ATOM 737 CB PRO A 48 1.117 -5.159 -5.816 1.00 0.00 C ATOM 738 CG PRO A 48 0.819 -6.422 -6.551 1.00 0.00 C ATOM 739 CD PRO A 48 1.725 -6.443 -7.781 1.00 0.00 C ATOM 0 HA PRO A 48 2.756 -3.756 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.973 -5.287 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.453 -4.355 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.006 -7.290 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.230 -6.460 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.072 -7.452 -8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.203 -6.082 -8.667 1.00 0.00 H new ATOM 747 N ASP A 49 3.075 -5.058 -3.774 1.00 0.00 N ATOM 748 CA ASP A 49 3.880 -5.443 -2.621 1.00 0.00 C ATOM 749 C ASP A 49 3.409 -6.778 -2.050 1.00 0.00 C ATOM 750 O ASP A 49 4.196 -7.714 -1.906 1.00 0.00 O ATOM 751 CB ASP A 49 3.793 -4.364 -1.540 1.00 0.00 C ATOM 752 CG ASP A 49 4.767 -3.233 -1.854 1.00 0.00 C ATOM 753 OD1 ASP A 49 4.414 -2.375 -2.645 1.00 0.00 O ATOM 754 OD2 ASP A 49 5.852 -3.242 -1.296 1.00 0.00 O ATOM 0 H ASP A 49 2.183 -4.620 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 49 4.914 -5.550 -2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.776 -3.975 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.024 -4.794 -0.565 1.00 0.00 H new ATOM 759 N PHE A 50 2.123 -6.860 -1.722 1.00 0.00 N ATOM 760 CA PHE A 50 1.566 -8.087 -1.163 1.00 0.00 C ATOM 761 C PHE A 50 0.387 -8.576 -1.998 1.00 0.00 C ATOM 762 O PHE A 50 -0.371 -7.777 -2.549 1.00 0.00 O ATOM 763 CB PHE A 50 1.112 -7.846 0.277 1.00 0.00 C ATOM 764 CG PHE A 50 2.279 -7.349 1.097 1.00 0.00 C ATOM 765 CD1 PHE A 50 3.265 -8.245 1.526 1.00 0.00 C ATOM 766 CD2 PHE A 50 2.375 -5.992 1.427 1.00 0.00 C ATOM 767 CE1 PHE A 50 4.348 -7.785 2.286 1.00 0.00 C ATOM 768 CE2 PHE A 50 3.458 -5.531 2.186 1.00 0.00 C ATOM 769 CZ PHE A 50 4.443 -6.428 2.615 1.00 0.00 C ATOM 0 H PHE A 50 1.453 -6.099 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 50 2.342 -8.852 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.303 -7.116 0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.720 -8.769 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.191 -9.292 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.614 -5.301 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.109 -8.476 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.533 -4.484 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.278 -6.072 3.201 1.00 0.00 H new ATOM 779 N TYR A 51 0.240 -9.894 -2.088 1.00 0.00 N ATOM 780 CA TYR A 51 -0.848 -10.481 -2.860 1.00 0.00 C ATOM 781 C TYR A 51 -1.691 -11.401 -1.981 1.00 0.00 C ATOM 782 O TYR A 51 -1.292 -12.528 -1.684 1.00 0.00 O ATOM 783 CB TYR A 51 -0.281 -11.276 -4.041 1.00 0.00 C ATOM 784 CG TYR A 51 -0.843 -10.738 -5.336 1.00 0.00 C ATOM 785 CD1 TYR A 51 -2.191 -10.946 -5.654 1.00 0.00 C ATOM 786 CD2 TYR A 51 -0.018 -10.032 -6.217 1.00 0.00 C ATOM 787 CE1 TYR A 51 -2.712 -10.447 -6.854 1.00 0.00 C ATOM 788 CE2 TYR A 51 -0.538 -9.533 -7.418 1.00 0.00 C ATOM 789 CZ TYR A 51 -1.885 -9.740 -7.736 1.00 0.00 C ATOM 790 OH TYR A 51 -2.399 -9.250 -8.919 1.00 0.00 O ATOM 0 H TYR A 51 0.856 -10.571 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.480 -9.676 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.807 -11.207 -4.049 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.532 -12.331 -3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.829 -11.491 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.021 -9.871 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.751 -10.607 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.100 -8.989 -8.098 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.693 -8.784 -9.414 1.00 0.00 H new ATOM 800 N LEU A 52 -2.858 -10.917 -1.570 1.00 0.00 N ATOM 801 CA LEU A 52 -3.748 -11.707 -0.727 1.00 0.00 C ATOM 802 C LEU A 52 -4.563 -12.678 -1.574 1.00 0.00 C ATOM 803 O LEU A 52 -4.856 -13.795 -1.148 1.00 0.00 O ATOM 804 CB LEU A 52 -4.690 -10.786 0.049 1.00 0.00 C ATOM 805 CG LEU A 52 -4.889 -11.333 1.462 1.00 0.00 C ATOM 806 CD1 LEU A 52 -5.655 -10.312 2.304 1.00 0.00 C ATOM 807 CD2 LEU A 52 -5.685 -12.638 1.395 1.00 0.00 C ATOM 0 H LEU A 52 -3.208 -9.988 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.141 -12.277 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.276 -9.779 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.650 -10.715 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.917 -11.521 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.796 -10.704 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.089 -9.382 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.627 -10.122 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.828 -13.029 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.656 -12.449 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.139 -13.367 0.797 1.00 0.00 H new ATOM 819 N SER A 53 -4.925 -12.243 -2.777 1.00 0.00 N ATOM 820 CA SER A 53 -5.707 -13.081 -3.677 1.00 0.00 C ATOM 821 C SER A 53 -5.948 -12.361 -5.000 1.00 0.00 C ATOM 822 O SER A 53 -5.763 -11.147 -5.099 1.00 0.00 O ATOM 823 CB SER A 53 -7.047 -13.431 -3.031 1.00 0.00 C ATOM 824 OG SER A 53 -7.579 -14.595 -3.650 1.00 0.00 O ATOM 0 H SER A 53 -4.691 -11.322 -3.148 1.00 0.00 H new ATOM 0 HA SER A 53 -5.149 -13.997 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.915 -13.602 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.743 -12.599 -3.137 1.00 0.00 H new ATOM 0 HG SER A 53 -8.438 -14.822 -3.236 1.00 0.00 H new ATOM 830 N ASN A 54 -6.364 -13.113 -6.013 1.00 0.00 N ATOM 831 CA ASN A 54 -6.628 -12.529 -7.322 1.00 0.00 C ATOM 832 C ASN A 54 -7.836 -11.600 -7.258 1.00 0.00 C ATOM 833 O ASN A 54 -8.492 -11.348 -8.268 1.00 0.00 O ATOM 834 CB ASN A 54 -6.889 -13.637 -8.345 1.00 0.00 C ATOM 835 CG ASN A 54 -8.323 -14.139 -8.216 1.00 0.00 C ATOM 836 OD1 ASN A 54 -9.204 -13.703 -8.958 1.00 0.00 O ATOM 837 ND2 ASN A 54 -8.612 -15.034 -7.311 1.00 0.00 N ATOM 0 H ASN A 54 -6.524 -14.119 -5.954 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.754 -11.952 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.716 -13.260 -9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.191 -14.460 -8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.569 -15.374 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.881 -15.394 -6.698 1.00 0.00 H new ATOM 844 N ARG A 55 -8.127 -11.099 -6.061 1.00 0.00 N ATOM 845 CA ARG A 55 -9.263 -10.202 -5.875 1.00 0.00 C ATOM 846 C ARG A 55 -8.880 -8.999 -5.016 1.00 0.00 C ATOM 847 O ARG A 55 -9.682 -8.087 -4.821 1.00 0.00 O ATOM 848 CB ARG A 55 -10.414 -10.957 -5.210 1.00 0.00 C ATOM 849 CG ARG A 55 -11.745 -10.496 -5.810 1.00 0.00 C ATOM 850 CD ARG A 55 -12.890 -11.310 -5.202 1.00 0.00 C ATOM 851 NE ARG A 55 -14.136 -10.554 -5.261 1.00 0.00 N ATOM 852 CZ ARG A 55 -14.373 -9.549 -4.423 1.00 0.00 C ATOM 853 NH1 ARG A 55 -13.478 -9.218 -3.532 1.00 0.00 N ATOM 854 NH2 ARG A 55 -15.498 -8.894 -4.492 1.00 0.00 N ATOM 0 H ARG A 55 -7.597 -11.297 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.574 -9.841 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.290 -12.030 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.407 -10.778 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.896 -9.434 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.731 -10.622 -6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.002 -12.251 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.657 -11.561 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.839 -10.801 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.597 -9.730 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.659 -8.447 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.197 -9.152 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.680 -8.123 -3.849 1.00 0.00 H new ATOM 868 N CYS A 56 -7.653 -9.000 -4.500 1.00 0.00 N ATOM 869 CA CYS A 56 -7.193 -7.898 -3.663 1.00 0.00 C ATOM 870 C CYS A 56 -5.669 -7.883 -3.568 1.00 0.00 C ATOM 871 O CYS A 56 -5.027 -8.933 -3.550 1.00 0.00 O ATOM 872 CB CYS A 56 -7.793 -8.022 -2.261 1.00 0.00 C ATOM 873 SG CYS A 56 -8.923 -9.436 -2.211 1.00 0.00 S ATOM 0 H CYS A 56 -6.968 -9.742 -4.645 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.521 -6.964 -4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.000 -8.150 -1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.326 -7.108 -2.000 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.432 -9.543 -1.019 1.00 0.00 H new ATOM 879 N CYS A 57 -5.100 -6.682 -3.505 1.00 0.00 N ATOM 880 CA CYS A 57 -3.652 -6.532 -3.408 1.00 0.00 C ATOM 881 C CYS A 57 -3.298 -5.247 -2.665 1.00 0.00 C ATOM 882 O CYS A 57 -4.141 -4.366 -2.492 1.00 0.00 O ATOM 883 CB CYS A 57 -3.037 -6.499 -4.809 1.00 0.00 C ATOM 884 SG CYS A 57 -3.298 -4.865 -5.543 1.00 0.00 S ATOM 0 H CYS A 57 -5.617 -5.803 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.251 -7.382 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.971 -6.719 -4.755 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.490 -7.268 -5.435 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.774 -4.835 -6.732 1.00 0.00 H new ATOM 890 N ILE A 58 -2.046 -5.144 -2.226 1.00 0.00 N ATOM 891 CA ILE A 58 -1.598 -3.960 -1.502 1.00 0.00 C ATOM 892 C ILE A 58 -0.315 -3.408 -2.114 1.00 0.00 C ATOM 893 O ILE A 58 0.503 -4.158 -2.649 1.00 0.00 O ATOM 894 CB ILE A 58 -1.358 -4.306 -0.030 1.00 0.00 C ATOM 895 CG1 ILE A 58 -2.683 -4.236 0.732 1.00 0.00 C ATOM 896 CG2 ILE A 58 -0.368 -3.308 0.576 1.00 0.00 C ATOM 897 CD1 ILE A 58 -2.667 -5.251 1.876 1.00 0.00 C ATOM 0 H ILE A 58 -1.331 -5.859 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.375 -3.199 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.948 -5.313 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.836 -3.231 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.514 -4.445 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.198 -3.555 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.576 -3.357 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.777 -2.300 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.611 -5.202 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.534 -6.254 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.845 -5.022 2.554 1.00 0.00 H new ATOM 909 N LEU A 59 -0.147 -2.093 -2.033 1.00 0.00 N ATOM 910 CA LEU A 59 1.042 -1.448 -2.581 1.00 0.00 C ATOM 911 C LEU A 59 1.613 -0.450 -1.577 1.00 0.00 C ATOM 912 O LEU A 59 0.937 0.498 -1.178 1.00 0.00 O ATOM 913 CB LEU A 59 0.685 -0.724 -3.884 1.00 0.00 C ATOM 914 CG LEU A 59 1.938 -0.534 -4.746 1.00 0.00 C ATOM 915 CD1 LEU A 59 1.541 -0.528 -6.223 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.601 0.801 -4.396 1.00 0.00 C ATOM 0 H LEU A 59 -0.813 -1.456 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 59 1.793 -2.211 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.060 -1.298 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.239 0.245 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 59 2.636 -1.349 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.431 -0.393 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.065 -1.476 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.844 0.289 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.492 0.936 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.902 1.615 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.881 0.803 -3.343 1.00 0.00 H new ATOM 928 N TYR A 60 2.858 -0.673 -1.170 1.00 0.00 N ATOM 929 CA TYR A 60 3.508 0.211 -0.208 1.00 0.00 C ATOM 930 C TYR A 60 4.154 1.400 -0.915 1.00 0.00 C ATOM 931 O TYR A 60 5.016 1.229 -1.777 1.00 0.00 O ATOM 932 CB TYR A 60 4.575 -0.563 0.569 1.00 0.00 C ATOM 933 CG TYR A 60 4.991 0.233 1.784 1.00 0.00 C ATOM 934 CD1 TYR A 60 4.055 0.525 2.782 1.00 0.00 C ATOM 935 CD2 TYR A 60 6.314 0.676 1.911 1.00 0.00 C ATOM 936 CE1 TYR A 60 4.440 1.262 3.909 1.00 0.00 C ATOM 937 CE2 TYR A 60 6.699 1.413 3.038 1.00 0.00 C ATOM 938 CZ TYR A 60 5.762 1.707 4.036 1.00 0.00 C ATOM 939 OH TYR A 60 6.142 2.433 5.146 1.00 0.00 O ATOM 0 H TYR A 60 3.434 -1.452 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 60 2.751 0.584 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.185 -1.534 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.439 -0.752 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.036 0.182 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.036 0.449 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.718 1.487 4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.719 1.755 3.137 1.00 0.00 H new ATOM 0 HH TYR A 60 7.092 2.662 5.077 1.00 0.00 H new ATOM 949 N VAL A 61 3.737 2.603 -0.536 1.00 0.00 N ATOM 950 CA VAL A 61 4.285 3.817 -1.132 1.00 0.00 C ATOM 951 C VAL A 61 4.890 4.707 -0.053 1.00 0.00 C ATOM 952 O VAL A 61 4.374 4.783 1.061 1.00 0.00 O ATOM 953 CB VAL A 61 3.186 4.586 -1.870 1.00 0.00 C ATOM 954 CG1 VAL A 61 3.728 5.946 -2.319 1.00 0.00 C ATOM 955 CG2 VAL A 61 2.740 3.788 -3.096 1.00 0.00 C ATOM 0 H VAL A 61 3.026 2.764 0.177 1.00 0.00 H new ATOM 0 HA VAL A 61 5.063 3.533 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 61 2.337 4.734 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.946 6.494 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.047 6.516 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.577 5.797 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.958 4.335 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.590 3.640 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.355 2.819 -2.779 1.00 0.00 H new ATOM 965 N THR A 62 5.986 5.379 -0.387 1.00 0.00 N ATOM 966 CA THR A 62 6.645 6.257 0.571 1.00 0.00 C ATOM 967 C THR A 62 6.774 7.666 0.007 1.00 0.00 C ATOM 968 O THR A 62 6.916 7.849 -1.201 1.00 0.00 O ATOM 969 CB THR A 62 8.033 5.712 0.914 1.00 0.00 C ATOM 970 OG1 THR A 62 8.871 5.803 -0.229 1.00 0.00 O ATOM 971 CG2 THR A 62 7.918 4.250 1.348 1.00 0.00 C ATOM 0 H THR A 62 6.432 5.334 -1.303 1.00 0.00 H new ATOM 0 HA THR A 62 6.038 6.295 1.475 1.00 0.00 H new ATOM 0 HB THR A 62 8.461 6.297 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.319 5.829 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.908 3.864 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.275 4.180 2.225 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.489 3.662 0.536 1.00 0.00 H new ATOM 979 N GLU A 63 6.724 8.658 0.890 1.00 0.00 N ATOM 980 CA GLU A 63 6.837 10.048 0.463 1.00 0.00 C ATOM 981 C GLU A 63 7.863 10.187 -0.658 1.00 0.00 C ATOM 982 O GLU A 63 7.653 10.933 -1.615 1.00 0.00 O ATOM 983 CB GLU A 63 7.254 10.926 1.644 1.00 0.00 C ATOM 984 CG GLU A 63 7.579 12.334 1.142 1.00 0.00 C ATOM 985 CD GLU A 63 9.088 12.555 1.148 1.00 0.00 C ATOM 986 OE1 GLU A 63 9.703 12.284 2.167 1.00 0.00 O ATOM 987 OE2 GLU A 63 9.607 12.991 0.133 1.00 0.00 O ATOM 0 H GLU A 63 6.607 8.528 1.895 1.00 0.00 H new ATOM 0 HA GLU A 63 5.864 10.371 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.452 10.967 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.123 10.496 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.188 12.469 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.092 13.076 1.775 1.00 0.00 H new ATOM 994 N ALA A 64 8.972 9.464 -0.534 1.00 0.00 N ATOM 995 CA ALA A 64 10.023 9.517 -1.545 1.00 0.00 C ATOM 996 C ALA A 64 9.426 9.443 -2.946 1.00 0.00 C ATOM 997 O ALA A 64 9.947 10.041 -3.887 1.00 0.00 O ATOM 998 CB ALA A 64 11.000 8.356 -1.344 1.00 0.00 C ATOM 0 H ALA A 64 9.166 8.840 0.249 1.00 0.00 H new ATOM 0 HA ALA A 64 10.554 10.463 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.781 8.403 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.451 8.427 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.465 7.411 -1.432 1.00 0.00 H new ATOM 1004 N ASP A 65 8.329 8.704 -3.077 1.00 0.00 N ATOM 1005 CA ASP A 65 7.668 8.556 -4.368 1.00 0.00 C ATOM 1006 C ASP A 65 6.763 9.752 -4.649 1.00 0.00 C ATOM 1007 O ASP A 65 6.498 10.082 -5.804 1.00 0.00 O ATOM 1008 CB ASP A 65 6.839 7.271 -4.389 1.00 0.00 C ATOM 1009 CG ASP A 65 7.758 6.057 -4.301 1.00 0.00 C ATOM 1010 OD1 ASP A 65 8.257 5.792 -3.220 1.00 0.00 O ATOM 1011 OD2 ASP A 65 7.948 5.409 -5.318 1.00 0.00 O ATOM 0 H ASP A 65 7.882 8.201 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 65 8.435 8.505 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.137 7.267 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.248 7.225 -5.304 1.00 0.00 H new ATOM 1016 N LEU A 66 6.290 10.395 -3.586 1.00 0.00 N ATOM 1017 CA LEU A 66 5.415 11.551 -3.736 1.00 0.00 C ATOM 1018 C LEU A 66 6.180 12.733 -4.327 1.00 0.00 C ATOM 1019 O LEU A 66 5.734 13.351 -5.293 1.00 0.00 O ATOM 1020 CB LEU A 66 4.822 11.944 -2.381 1.00 0.00 C ATOM 1021 CG LEU A 66 4.233 13.352 -2.472 1.00 0.00 C ATOM 1022 CD1 LEU A 66 2.914 13.407 -1.702 1.00 0.00 C ATOM 1023 CD2 LEU A 66 5.217 14.358 -1.870 1.00 0.00 C ATOM 0 H LEU A 66 6.496 10.138 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 66 4.607 11.282 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.049 11.233 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.593 11.910 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 66 4.053 13.601 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.496 14.411 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.212 12.693 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.092 13.156 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.797 15.362 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.399 14.108 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.157 14.322 -2.421 1.00 0.00 H new ATOM 1035 N VAL A 67 7.333 13.042 -3.741 1.00 0.00 N ATOM 1036 CA VAL A 67 8.146 14.154 -4.223 1.00 0.00 C ATOM 1037 C VAL A 67 8.604 13.897 -5.654 1.00 0.00 C ATOM 1038 O VAL A 67 8.839 14.833 -6.419 1.00 0.00 O ATOM 1039 CB VAL A 67 9.368 14.339 -3.320 1.00 0.00 C ATOM 1040 CG1 VAL A 67 10.033 12.984 -3.076 1.00 0.00 C ATOM 1041 CG2 VAL A 67 10.365 15.281 -3.998 1.00 0.00 C ATOM 0 H VAL A 67 7.722 12.544 -2.940 1.00 0.00 H new ATOM 0 HA VAL A 67 7.540 15.060 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 67 9.054 14.766 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.903 13.116 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.323 12.312 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.347 12.556 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.235 15.413 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.679 14.854 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.892 16.248 -4.172 1.00 0.00 H new ATOM 1051 N ALA A 68 8.726 12.623 -6.010 1.00 0.00 N ATOM 1052 CA ALA A 68 9.155 12.250 -7.353 1.00 0.00 C ATOM 1053 C ALA A 68 8.344 13.003 -8.403 1.00 0.00 C ATOM 1054 O ALA A 68 8.885 13.816 -9.153 1.00 0.00 O ATOM 1055 CB ALA A 68 8.981 10.744 -7.555 1.00 0.00 C ATOM 0 H ALA A 68 8.535 11.835 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 68 10.207 12.513 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.303 10.472 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.584 10.207 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.932 10.478 -7.426 1.00 0.00 H new ATOM 1061 N GLY A 69 7.045 12.726 -8.452 1.00 0.00 N ATOM 1062 CA GLY A 69 6.169 13.382 -9.415 1.00 0.00 C ATOM 1063 C GLY A 69 6.440 12.880 -10.829 1.00 0.00 C ATOM 1064 O GLY A 69 7.495 13.149 -11.403 1.00 0.00 O ATOM 0 H GLY A 69 6.578 12.056 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.128 13.195 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.319 14.461 -9.373 1.00 0.00 H new ATOM 1068 N ASN A 70 5.482 12.145 -11.385 1.00 0.00 N ATOM 1069 CA ASN A 70 5.629 11.608 -12.731 1.00 0.00 C ATOM 1070 C ASN A 70 6.458 10.327 -12.708 1.00 0.00 C ATOM 1071 O ASN A 70 7.452 10.233 -11.988 1.00 0.00 O ATOM 1072 CB ASN A 70 6.304 12.639 -13.637 1.00 0.00 C ATOM 1073 CG ASN A 70 5.675 12.599 -15.026 1.00 0.00 C ATOM 1074 OD1 ASN A 70 5.198 11.551 -15.461 1.00 0.00 O ATOM 1075 ND2 ASN A 70 5.643 13.684 -15.750 1.00 0.00 N ATOM 0 H ASN A 70 4.602 11.909 -10.927 1.00 0.00 H new ATOM 0 HA ASN A 70 4.637 11.380 -13.120 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.199 13.636 -13.209 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.372 12.432 -13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.222 13.665 -16.679 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.039 14.551 -15.387 1.00 0.00 H new ATOM 1082 N GLY A 71 6.039 9.342 -13.496 1.00 0.00 N ATOM 1083 CA GLY A 71 6.749 8.069 -13.555 1.00 0.00 C ATOM 1084 C GLY A 71 6.029 7.011 -12.728 1.00 0.00 C ATOM 1085 O GLY A 71 5.429 6.084 -13.273 1.00 0.00 O ATOM 0 H GLY A 71 5.218 9.399 -14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.826 7.738 -14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.766 8.197 -13.185 1.00 0.00 H new ATOM 1089 N TYR A 72 6.090 7.155 -11.408 1.00 0.00 N ATOM 1090 CA TYR A 72 5.436 6.206 -10.515 1.00 0.00 C ATOM 1091 C TYR A 72 3.982 5.999 -10.932 1.00 0.00 C ATOM 1092 O TYR A 72 3.507 4.868 -11.030 1.00 0.00 O ATOM 1093 CB TYR A 72 5.488 6.723 -9.077 1.00 0.00 C ATOM 1094 CG TYR A 72 5.540 5.557 -8.120 1.00 0.00 C ATOM 1095 CD1 TYR A 72 6.751 4.894 -7.891 1.00 0.00 C ATOM 1096 CD2 TYR A 72 4.378 5.140 -7.461 1.00 0.00 C ATOM 1097 CE1 TYR A 72 6.800 3.814 -7.002 1.00 0.00 C ATOM 1098 CE2 TYR A 72 4.427 4.060 -6.573 1.00 0.00 C ATOM 1099 CZ TYR A 72 5.637 3.396 -6.343 1.00 0.00 C ATOM 1100 OH TYR A 72 5.685 2.331 -5.466 1.00 0.00 O ATOM 0 H TYR A 72 6.582 7.914 -10.936 1.00 0.00 H new ATOM 0 HA TYR A 72 5.961 5.253 -10.576 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.363 7.358 -8.940 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.612 7.338 -8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.648 5.216 -8.400 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.444 5.652 -7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.735 3.303 -6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.530 3.738 -6.065 1.00 0.00 H new ATOM 0 HH TYR A 72 5.405 2.628 -4.575 1.00 0.00 H new ATOM 1110 N ARG A 73 3.284 7.103 -11.175 1.00 0.00 N ATOM 1111 CA ARG A 73 1.885 7.039 -11.580 1.00 0.00 C ATOM 1112 C ARG A 73 1.674 5.942 -12.619 1.00 0.00 C ATOM 1113 O ARG A 73 0.639 5.275 -12.628 1.00 0.00 O ATOM 1114 CB ARG A 73 1.450 8.387 -12.162 1.00 0.00 C ATOM 1115 CG ARG A 73 0.072 8.245 -12.810 1.00 0.00 C ATOM 1116 CD ARG A 73 -0.387 9.603 -13.339 1.00 0.00 C ATOM 1117 NE ARG A 73 -1.730 9.500 -13.897 1.00 0.00 N ATOM 1118 CZ ARG A 73 -2.107 10.247 -14.929 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -1.268 11.088 -15.468 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -3.316 10.136 -15.406 1.00 0.00 N ATOM 0 H ARG A 73 3.661 8.048 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 73 1.282 6.809 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.417 9.141 -11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.177 8.728 -12.900 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.114 7.522 -13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.646 7.865 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.376 10.338 -12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.306 9.957 -14.103 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.393 8.842 -13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.322 11.173 -15.097 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.558 11.661 -16.260 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.971 9.476 -14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.606 10.709 -16.198 1.00 0.00 H new ATOM 1134 N LYS A 74 2.657 5.762 -13.494 1.00 0.00 N ATOM 1135 CA LYS A 74 2.560 4.744 -14.535 1.00 0.00 C ATOM 1136 C LYS A 74 2.583 3.348 -13.922 1.00 0.00 C ATOM 1137 O LYS A 74 1.802 2.478 -14.307 1.00 0.00 O ATOM 1138 CB LYS A 74 3.719 4.890 -15.523 1.00 0.00 C ATOM 1139 CG LYS A 74 3.317 4.289 -16.871 1.00 0.00 C ATOM 1140 CD LYS A 74 4.569 3.829 -17.618 1.00 0.00 C ATOM 1141 CE LYS A 74 4.258 3.711 -19.111 1.00 0.00 C ATOM 1142 NZ LYS A 74 4.882 4.851 -19.840 1.00 0.00 N ATOM 0 H LYS A 74 3.523 6.302 -13.505 1.00 0.00 H new ATOM 0 HA LYS A 74 1.616 4.882 -15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.978 5.942 -15.644 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.605 4.386 -15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.642 3.447 -16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.778 5.027 -17.464 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.381 4.539 -17.460 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.905 2.868 -17.229 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.638 2.766 -19.499 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.180 3.710 -19.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.671 4.771 -20.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.499 5.747 -19.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.912 4.832 -19.698 1.00 0.00 H new ATOM 1156 N ARG A 75 3.482 3.141 -12.966 1.00 0.00 N ATOM 1157 CA ARG A 75 3.595 1.844 -12.307 1.00 0.00 C ATOM 1158 C ARG A 75 2.271 1.458 -11.654 1.00 0.00 C ATOM 1159 O ARG A 75 1.984 0.277 -11.462 1.00 0.00 O ATOM 1160 CB ARG A 75 4.699 1.890 -11.249 1.00 0.00 C ATOM 1161 CG ARG A 75 6.039 1.520 -11.892 1.00 0.00 C ATOM 1162 CD ARG A 75 7.148 2.390 -11.298 1.00 0.00 C ATOM 1163 NE ARG A 75 8.453 1.783 -11.540 1.00 0.00 N ATOM 1164 CZ ARG A 75 9.205 2.153 -12.572 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.777 3.067 -13.399 1.00 0.00 N ATOM 1166 NH2 ARG A 75 10.373 1.600 -12.759 1.00 0.00 N ATOM 0 H ARG A 75 4.138 3.847 -12.632 1.00 0.00 H new ATOM 0 HA ARG A 75 3.846 1.095 -13.058 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.757 2.887 -10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.469 1.199 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.258 0.466 -11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.988 1.664 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.115 3.386 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.989 2.512 -10.227 1.00 0.00 H new ATOM 0 HE ARG A 75 8.795 1.061 -10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.864 3.499 -13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.355 3.350 -14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.708 0.885 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.951 1.883 -13.551 1.00 0.00 H new ATOM 1180 N LEU A 76 1.467 2.463 -11.317 1.00 0.00 N ATOM 1181 CA LEU A 76 0.175 2.213 -10.689 1.00 0.00 C ATOM 1182 C LEU A 76 -0.854 1.805 -11.737 1.00 0.00 C ATOM 1183 O LEU A 76 -1.691 0.934 -11.494 1.00 0.00 O ATOM 1184 CB LEU A 76 -0.308 3.470 -9.962 1.00 0.00 C ATOM 1185 CG LEU A 76 0.332 3.538 -8.575 1.00 0.00 C ATOM 1186 CD1 LEU A 76 0.470 4.999 -8.148 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -0.552 2.795 -7.570 1.00 0.00 C ATOM 0 H LEU A 76 1.685 3.448 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 76 0.292 1.402 -9.970 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.047 4.358 -10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.394 3.456 -9.872 1.00 0.00 H new ATOM 0 HG LEU A 76 1.318 3.074 -8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.926 5.048 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.098 5.530 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.516 5.463 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.097 2.842 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.537 3.260 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.652 1.753 -7.874 1.00 0.00 H new ATOM 1199 N VAL A 77 -0.785 2.438 -12.903 1.00 0.00 N ATOM 1200 CA VAL A 77 -1.713 2.132 -13.984 1.00 0.00 C ATOM 1201 C VAL A 77 -1.785 0.626 -14.208 1.00 0.00 C ATOM 1202 O VAL A 77 -2.818 0.097 -14.617 1.00 0.00 O ATOM 1203 CB VAL A 77 -1.261 2.822 -15.271 1.00 0.00 C ATOM 1204 CG1 VAL A 77 -2.055 2.270 -16.455 1.00 0.00 C ATOM 1205 CG2 VAL A 77 -1.506 4.328 -15.151 1.00 0.00 C ATOM 0 H VAL A 77 -0.100 3.162 -13.123 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.702 2.497 -13.708 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.199 2.635 -15.430 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.731 2.763 -17.372 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.883 1.197 -16.540 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.118 2.456 -16.299 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.185 4.823 -16.067 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.569 4.512 -14.992 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.940 4.723 -14.308 1.00 0.00 H new ATOM 1215 N ARG A 78 -0.678 -0.058 -13.935 1.00 0.00 N ATOM 1216 CA ARG A 78 -0.625 -1.505 -14.106 1.00 0.00 C ATOM 1217 C ARG A 78 -1.752 -2.173 -13.325 1.00 0.00 C ATOM 1218 O ARG A 78 -2.239 -3.236 -13.708 1.00 0.00 O ATOM 1219 CB ARG A 78 0.724 -2.037 -13.620 1.00 0.00 C ATOM 1220 CG ARG A 78 0.848 -3.518 -13.980 1.00 0.00 C ATOM 1221 CD ARG A 78 1.552 -3.659 -15.330 1.00 0.00 C ATOM 1222 NE ARG A 78 1.817 -5.065 -15.614 1.00 0.00 N ATOM 1223 CZ ARG A 78 2.859 -5.690 -15.075 1.00 0.00 C ATOM 1224 NH1 ARG A 78 3.671 -5.042 -14.285 1.00 0.00 N ATOM 1225 NH2 ARG A 78 3.071 -6.951 -15.338 1.00 0.00 N ATOM 0 H ARG A 78 0.188 0.363 -13.597 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.744 -1.736 -15.165 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.536 -1.471 -14.077 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.812 -1.905 -12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.410 -4.045 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.140 -3.976 -14.024 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.932 -3.232 -16.118 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.487 -3.099 -15.321 1.00 0.00 H new ATOM 0 HE ARG A 78 1.192 -5.577 -16.237 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.506 -4.056 -14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.471 -5.521 -13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.437 -7.456 -15.957 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.871 -7.431 -14.925 1.00 0.00 H new ATOM 1239 N VAL A 79 -2.162 -1.540 -12.231 1.00 0.00 N ATOM 1240 CA VAL A 79 -3.235 -2.081 -11.406 1.00 0.00 C ATOM 1241 C VAL A 79 -4.563 -2.001 -12.150 1.00 0.00 C ATOM 1242 O VAL A 79 -5.409 -2.887 -12.030 1.00 0.00 O ATOM 1243 CB VAL A 79 -3.332 -1.300 -10.094 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -4.400 -1.933 -9.200 1.00 0.00 C ATOM 1245 CG2 VAL A 79 -1.981 -1.340 -9.378 1.00 0.00 C ATOM 0 H VAL A 79 -1.771 -0.659 -11.897 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.013 -3.125 -11.186 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.603 -0.266 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.469 -1.376 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.363 -1.907 -9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.130 -2.967 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.048 -0.784 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.712 -2.375 -9.166 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.219 -0.890 -10.014 1.00 0.00 H new ATOM 1255 N ARG A 80 -4.738 -0.933 -12.922 1.00 0.00 N ATOM 1256 CA ARG A 80 -5.965 -0.747 -13.687 1.00 0.00 C ATOM 1257 C ARG A 80 -5.934 -1.593 -14.956 1.00 0.00 C ATOM 1258 O ARG A 80 -6.975 -1.880 -15.547 1.00 0.00 O ATOM 1259 CB ARG A 80 -6.130 0.728 -14.059 1.00 0.00 C ATOM 1260 CG ARG A 80 -7.544 0.963 -14.592 1.00 0.00 C ATOM 1261 CD ARG A 80 -7.486 1.903 -15.799 1.00 0.00 C ATOM 1262 NE ARG A 80 -6.985 1.192 -16.969 1.00 0.00 N ATOM 1263 CZ ARG A 80 -6.694 1.838 -18.093 1.00 0.00 C ATOM 1264 NH1 ARG A 80 -6.855 3.131 -18.163 1.00 0.00 N ATOM 1265 NH2 ARG A 80 -6.246 1.179 -19.127 1.00 0.00 N ATOM 0 H ARG A 80 -4.050 -0.188 -13.034 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.808 -1.062 -13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.949 1.357 -13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.394 1.009 -14.813 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.998 0.014 -14.878 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.171 1.394 -13.812 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.479 2.303 -16.005 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.840 2.752 -15.577 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.856 0.181 -16.924 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.204 3.646 -17.355 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.632 3.627 -19.026 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.119 0.168 -19.072 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.023 1.675 -19.990 1.00 0.00 H new ATOM 1279 N ASN A 81 -4.735 -1.989 -15.368 1.00 0.00 N ATOM 1280 CA ASN A 81 -4.579 -2.803 -16.568 1.00 0.00 C ATOM 1281 C ASN A 81 -5.506 -4.013 -16.516 1.00 0.00 C ATOM 1282 O ASN A 81 -6.363 -4.187 -17.383 1.00 0.00 O ATOM 1283 CB ASN A 81 -3.129 -3.274 -16.693 1.00 0.00 C ATOM 1284 CG ASN A 81 -2.928 -4.005 -18.017 1.00 0.00 C ATOM 1285 OD1 ASN A 81 -3.621 -3.720 -18.994 1.00 0.00 O ATOM 1286 ND2 ASN A 81 -2.017 -4.933 -18.107 1.00 0.00 N ATOM 0 H ASN A 81 -3.862 -1.762 -14.892 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.840 -2.196 -17.435 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.455 -2.420 -16.634 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.880 -3.934 -15.862 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.876 -5.426 -18.989 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.445 -5.166 -17.296 1.00 0.00 H new ATOM 1293 N SER A 82 -5.330 -4.843 -15.495 1.00 0.00 N ATOM 1294 CA SER A 82 -6.157 -6.034 -15.340 1.00 0.00 C ATOM 1295 C SER A 82 -7.590 -5.646 -14.989 1.00 0.00 C ATOM 1296 O SER A 82 -8.505 -5.820 -15.793 1.00 0.00 O ATOM 1297 CB SER A 82 -5.585 -6.928 -14.239 1.00 0.00 C ATOM 1298 OG SER A 82 -5.534 -8.270 -14.703 1.00 0.00 O ATOM 0 H SER A 82 -4.627 -4.715 -14.767 1.00 0.00 H new ATOM 0 HA SER A 82 -6.159 -6.578 -16.284 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.587 -6.589 -13.961 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.204 -6.864 -13.344 1.00 0.00 H new ATOM 0 HG SER A 82 -5.166 -8.845 -14.000 1.00 0.00 H new ATOM 1304 N ASN A 83 -7.776 -5.120 -13.783 1.00 0.00 N ATOM 1305 CA ASN A 83 -9.101 -4.711 -13.335 1.00 0.00 C ATOM 1306 C ASN A 83 -9.918 -5.925 -12.907 1.00 0.00 C ATOM 1307 O ASN A 83 -10.979 -6.200 -13.468 1.00 0.00 O ATOM 1308 CB ASN A 83 -9.829 -3.972 -14.459 1.00 0.00 C ATOM 1309 CG ASN A 83 -10.881 -3.037 -13.873 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -12.044 -3.080 -14.275 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -10.540 -2.191 -12.941 1.00 0.00 N ATOM 0 H ASN A 83 -7.031 -4.968 -13.103 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.986 -4.045 -12.480 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.115 -3.402 -15.053 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.301 -4.689 -15.130 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.238 -1.562 -12.543 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.576 -2.158 -12.610 1.00 0.00 H new ATOM 1318 N ASN A 84 -9.417 -6.649 -11.911 1.00 0.00 N ATOM 1319 CA ASN A 84 -10.109 -7.833 -11.419 1.00 0.00 C ATOM 1320 C ASN A 84 -9.852 -8.029 -9.927 1.00 0.00 C ATOM 1321 O ASN A 84 -10.163 -9.080 -9.368 1.00 0.00 O ATOM 1322 CB ASN A 84 -9.635 -9.070 -12.185 1.00 0.00 C ATOM 1323 CG ASN A 84 -8.374 -9.632 -11.538 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -8.409 -10.074 -10.389 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -7.255 -9.642 -12.210 1.00 0.00 N ATOM 0 H ASN A 84 -8.541 -6.438 -11.433 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.179 -7.694 -11.575 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.419 -9.827 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.435 -8.810 -13.225 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.407 -10.016 -11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.228 -9.275 -13.161 1.00 0.00 H new ATOM 1332 N LEU A 85 -9.282 -7.012 -9.288 1.00 0.00 N ATOM 1333 CA LEU A 85 -8.988 -7.091 -7.861 1.00 0.00 C ATOM 1334 C LEU A 85 -8.931 -5.697 -7.241 1.00 0.00 C ATOM 1335 O LEU A 85 -8.622 -4.718 -7.921 1.00 0.00 O ATOM 1336 CB LEU A 85 -7.651 -7.802 -7.641 1.00 0.00 C ATOM 1337 CG LEU A 85 -6.548 -7.062 -8.401 1.00 0.00 C ATOM 1338 CD1 LEU A 85 -5.807 -6.123 -7.446 1.00 0.00 C ATOM 1339 CD2 LEU A 85 -5.561 -8.077 -8.980 1.00 0.00 C ATOM 0 H LEU A 85 -9.017 -6.132 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.786 -7.656 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.415 -7.835 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.715 -8.834 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.993 -6.481 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.022 -5.597 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.508 -5.399 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.362 -6.703 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.775 -7.552 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.118 -8.657 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.086 -8.747 -9.661 1.00 0.00 H new ATOM 1351 N LYS A 86 -9.223 -5.617 -5.947 1.00 0.00 N ATOM 1352 CA LYS A 86 -9.193 -4.340 -5.244 1.00 0.00 C ATOM 1353 C LYS A 86 -7.751 -3.933 -4.956 1.00 0.00 C ATOM 1354 O LYS A 86 -7.074 -4.550 -4.134 1.00 0.00 O ATOM 1355 CB LYS A 86 -9.971 -4.447 -3.929 1.00 0.00 C ATOM 1356 CG LYS A 86 -11.448 -4.708 -4.233 1.00 0.00 C ATOM 1357 CD LYS A 86 -12.252 -3.424 -4.019 1.00 0.00 C ATOM 1358 CE LYS A 86 -13.729 -3.690 -4.317 1.00 0.00 C ATOM 1359 NZ LYS A 86 -13.954 -3.656 -5.790 1.00 0.00 N ATOM 0 H LYS A 86 -9.481 -6.415 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.658 -3.582 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.566 -5.254 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.864 -3.527 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.562 -5.053 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.828 -5.499 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.134 -3.076 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.876 -2.634 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.023 -4.660 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.350 -2.941 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.961 -3.820 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.673 -2.727 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.385 -4.398 -6.245 1.00 0.00 H new ATOM 1373 N GLY A 87 -7.285 -2.897 -5.645 1.00 0.00 N ATOM 1374 CA GLY A 87 -5.917 -2.425 -5.464 1.00 0.00 C ATOM 1375 C GLY A 87 -5.821 -1.427 -4.315 1.00 0.00 C ATOM 1376 O GLY A 87 -6.163 -0.255 -4.468 1.00 0.00 O ATOM 0 H GLY A 87 -7.829 -2.371 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.261 -3.273 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.567 -1.958 -6.384 1.00 0.00 H new ATOM 1380 N ILE A 88 -5.341 -1.898 -3.168 1.00 0.00 N ATOM 1381 CA ILE A 88 -5.190 -1.036 -2.003 1.00 0.00 C ATOM 1382 C ILE A 88 -3.862 -0.289 -2.076 1.00 0.00 C ATOM 1383 O ILE A 88 -2.841 -0.861 -2.458 1.00 0.00 O ATOM 1384 CB ILE A 88 -5.245 -1.870 -0.722 1.00 0.00 C ATOM 1385 CG1 ILE A 88 -6.548 -2.672 -0.692 1.00 0.00 C ATOM 1386 CG2 ILE A 88 -5.188 -0.946 0.497 1.00 0.00 C ATOM 1387 CD1 ILE A 88 -6.627 -3.470 0.610 1.00 0.00 C ATOM 0 H ILE A 88 -5.052 -2.865 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.006 -0.314 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.395 -2.552 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.403 -2.000 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.592 -3.346 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.227 -1.543 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.260 -0.375 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.036 -0.262 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.555 -4.041 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.779 -4.153 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.603 -2.786 1.458 1.00 0.00 H new ATOM 1399 N VAL A 89 -3.881 0.991 -1.719 1.00 0.00 N ATOM 1400 CA VAL A 89 -2.667 1.797 -1.764 1.00 0.00 C ATOM 1401 C VAL A 89 -2.290 2.303 -0.374 1.00 0.00 C ATOM 1402 O VAL A 89 -3.108 2.908 0.322 1.00 0.00 O ATOM 1403 CB VAL A 89 -2.867 2.987 -2.705 1.00 0.00 C ATOM 1404 CG1 VAL A 89 -1.549 3.747 -2.855 1.00 0.00 C ATOM 1405 CG2 VAL A 89 -3.321 2.481 -4.076 1.00 0.00 C ATOM 0 H VAL A 89 -4.713 1.487 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.857 1.168 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.625 3.653 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.692 4.595 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.224 4.107 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.790 3.082 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.464 3.328 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.562 1.815 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.261 1.939 -3.971 1.00 0.00 H new ATOM 1415 N VAL A 90 -1.044 2.058 0.018 1.00 0.00 N ATOM 1416 CA VAL A 90 -0.556 2.498 1.321 1.00 0.00 C ATOM 1417 C VAL A 90 0.588 3.491 1.146 1.00 0.00 C ATOM 1418 O VAL A 90 1.603 3.176 0.525 1.00 0.00 O ATOM 1419 CB VAL A 90 -0.067 1.295 2.130 1.00 0.00 C ATOM 1420 CG1 VAL A 90 0.191 1.724 3.575 1.00 0.00 C ATOM 1421 CG2 VAL A 90 -1.131 0.196 2.107 1.00 0.00 C ATOM 0 H VAL A 90 -0.356 1.559 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.374 2.984 1.854 1.00 0.00 H new ATOM 0 HB VAL A 90 0.856 0.915 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.539 0.867 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.950 2.506 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.732 2.105 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.782 -0.661 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.055 0.575 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.315 -0.110 1.077 1.00 0.00 H new ATOM 1431 N VAL A 91 0.420 4.690 1.692 1.00 0.00 N ATOM 1432 CA VAL A 91 1.450 5.716 1.580 1.00 0.00 C ATOM 1433 C VAL A 91 2.032 6.050 2.949 1.00 0.00 C ATOM 1434 O VAL A 91 1.305 6.133 3.940 1.00 0.00 O ATOM 1435 CB VAL A 91 0.865 6.980 0.949 1.00 0.00 C ATOM 1436 CG1 VAL A 91 2.002 7.890 0.474 1.00 0.00 C ATOM 1437 CG2 VAL A 91 -0.011 6.593 -0.246 1.00 0.00 C ATOM 0 H VAL A 91 -0.411 4.974 2.212 1.00 0.00 H new ATOM 0 HA VAL A 91 2.248 5.330 0.946 1.00 0.00 H new ATOM 0 HB VAL A 91 0.263 7.509 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.584 8.791 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.627 8.165 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.606 7.363 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.429 7.493 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.593 6.064 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.821 5.946 0.091 1.00 0.00 H new ATOM 1447 N GLU A 92 3.347 6.240 2.998 1.00 0.00 N ATOM 1448 CA GLU A 92 4.017 6.564 4.251 1.00 0.00 C ATOM 1449 C GLU A 92 4.266 8.064 4.356 1.00 0.00 C ATOM 1450 O GLU A 92 4.807 8.679 3.437 1.00 0.00 O ATOM 1451 CB GLU A 92 5.348 5.816 4.344 1.00 0.00 C ATOM 1452 CG GLU A 92 5.903 5.926 5.767 1.00 0.00 C ATOM 1453 CD GLU A 92 7.251 6.638 5.747 1.00 0.00 C ATOM 1454 OE1 GLU A 92 7.965 6.485 4.769 1.00 0.00 O ATOM 1455 OE2 GLU A 92 7.549 7.327 6.708 1.00 0.00 O ATOM 0 H GLU A 92 3.966 6.176 2.190 1.00 0.00 H new ATOM 0 HA GLU A 92 3.371 6.257 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.207 4.768 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.061 6.232 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.203 6.473 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.014 4.932 6.201 1.00 0.00 H new ATOM 1462 N LYS A 93 3.871 8.647 5.484 1.00 0.00 N ATOM 1463 CA LYS A 93 4.060 10.076 5.698 1.00 0.00 C ATOM 1464 C LYS A 93 5.504 10.369 6.090 1.00 0.00 C ATOM 1465 O LYS A 93 6.103 9.639 6.880 1.00 0.00 O ATOM 1466 CB LYS A 93 3.122 10.570 6.800 1.00 0.00 C ATOM 1467 CG LYS A 93 1.678 10.222 6.437 1.00 0.00 C ATOM 1468 CD LYS A 93 0.741 10.730 7.535 1.00 0.00 C ATOM 1469 CE LYS A 93 -0.709 10.440 7.143 1.00 0.00 C ATOM 1470 NZ LYS A 93 -1.230 9.313 7.967 1.00 0.00 N ATOM 0 H LYS A 93 3.422 8.156 6.257 1.00 0.00 H new ATOM 0 HA LYS A 93 3.832 10.597 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.389 10.111 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.227 11.648 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.413 10.673 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.570 9.143 6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.977 10.245 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.882 11.801 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.322 11.328 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.767 10.188 6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.141 8.992 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.550 8.526 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.364 9.633 8.948 1.00 0.00 H new ATOM 1484 N THR A 94 6.057 11.439 5.532 1.00 0.00 N ATOM 1485 CA THR A 94 7.433 11.815 5.832 1.00 0.00 C ATOM 1486 C THR A 94 7.560 13.329 5.968 1.00 0.00 C ATOM 1487 O THR A 94 7.494 13.870 7.072 1.00 0.00 O ATOM 1488 CB THR A 94 8.364 11.314 4.724 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.065 9.955 4.439 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.819 11.432 5.182 1.00 0.00 C ATOM 0 H THR A 94 5.579 12.056 4.876 1.00 0.00 H new ATOM 0 HA THR A 94 7.718 11.356 6.779 1.00 0.00 H new ATOM 0 HB THR A 94 8.219 11.917 3.827 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.828 9.540 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.479 11.075 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.048 12.475 5.402 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.968 10.831 6.079 1.00 0.00 H new ATOM 1498 N ARG A 95 7.742 14.008 4.840 1.00 0.00 N ATOM 1499 CA ARG A 95 7.877 15.461 4.849 1.00 0.00 C ATOM 1500 C ARG A 95 6.918 16.095 3.847 1.00 0.00 C ATOM 1501 O ARG A 95 6.016 16.844 4.225 1.00 0.00 O ATOM 1502 CB ARG A 95 9.315 15.853 4.503 1.00 0.00 C ATOM 1503 CG ARG A 95 10.228 15.534 5.687 1.00 0.00 C ATOM 1504 CD ARG A 95 11.608 16.147 5.449 1.00 0.00 C ATOM 1505 NE ARG A 95 11.715 17.429 6.134 1.00 0.00 N ATOM 1506 CZ ARG A 95 11.685 17.505 7.460 1.00 0.00 C ATOM 1507 NH1 ARG A 95 11.553 16.421 8.174 1.00 0.00 N ATOM 1508 NH2 ARG A 95 11.786 18.666 8.049 1.00 0.00 N ATOM 0 H ARG A 95 7.799 13.581 3.916 1.00 0.00 H new ATOM 0 HA ARG A 95 7.632 15.824 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.648 15.312 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.367 16.916 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.798 15.928 6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.315 14.455 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.382 15.469 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.774 16.283 4.380 1.00 0.00 H new ATOM 0 HE ARG A 95 11.815 18.283 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.473 15.514 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.530 16.480 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.888 19.514 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.763 18.725 9.067 1.00 0.00 H new ATOM 1522 N MET A 96 7.116 15.791 2.570 1.00 0.00 N ATOM 1523 CA MET A 96 6.260 16.337 1.524 1.00 0.00 C ATOM 1524 C MET A 96 4.932 15.588 1.476 1.00 0.00 C ATOM 1525 O MET A 96 4.002 15.999 0.783 1.00 0.00 O ATOM 1526 CB MET A 96 6.959 16.233 0.167 1.00 0.00 C ATOM 1527 CG MET A 96 8.065 17.285 0.081 1.00 0.00 C ATOM 1528 SD MET A 96 9.038 17.264 1.608 1.00 0.00 S ATOM 1529 CE MET A 96 10.120 18.658 1.207 1.00 0.00 C ATOM 0 H MET A 96 7.856 15.174 2.235 1.00 0.00 H new ATOM 0 HA MET A 96 6.065 17.385 1.750 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.380 15.236 0.038 1.00 0.00 H new ATOM 0 HB3 MET A 96 6.238 16.381 -0.637 1.00 0.00 H new ATOM 0 HG2 MET A 96 8.708 17.083 -0.775 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.631 18.273 -0.073 1.00 0.00 H new ATOM 0 HE1 MET A 96 10.816 18.826 2.029 1.00 0.00 H new ATOM 0 HE2 MET A 96 10.678 18.435 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 96 9.518 19.553 1.053 1.00 0.00 H new ATOM 1539 N SER A 97 4.852 14.490 2.220 1.00 0.00 N ATOM 1540 CA SER A 97 3.631 13.694 2.256 1.00 0.00 C ATOM 1541 C SER A 97 2.420 14.591 2.487 1.00 0.00 C ATOM 1542 O SER A 97 1.952 15.262 1.570 1.00 0.00 O ATOM 1543 CB SER A 97 3.719 12.653 3.371 1.00 0.00 C ATOM 1544 OG SER A 97 4.282 13.254 4.530 1.00 0.00 O ATOM 0 H SER A 97 5.611 14.133 2.801 1.00 0.00 H new ATOM 0 HA SER A 97 3.518 13.187 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.728 12.259 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 97 4.331 11.810 3.050 1.00 0.00 H new ATOM 0 HG SER A 97 3.744 13.019 5.315 1.00 0.00 H new ATOM 1550 N GLU A 98 1.922 14.599 3.718 1.00 0.00 N ATOM 1551 CA GLU A 98 0.767 15.422 4.057 1.00 0.00 C ATOM 1552 C GLU A 98 0.812 16.748 3.301 1.00 0.00 C ATOM 1553 O GLU A 98 -0.211 17.412 3.131 1.00 0.00 O ATOM 1554 CB GLU A 98 0.739 15.686 5.564 1.00 0.00 C ATOM 1555 CG GLU A 98 0.833 14.356 6.315 1.00 0.00 C ATOM 1556 CD GLU A 98 0.424 14.549 7.771 1.00 0.00 C ATOM 1557 OE1 GLU A 98 1.284 14.882 8.569 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -0.745 14.360 8.067 1.00 0.00 O ATOM 0 H GLU A 98 2.296 14.050 4.492 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.137 14.886 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.568 16.335 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.180 16.206 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.187 13.616 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.851 13.971 6.263 1.00 0.00 H new ATOM 1565 N GLN A 99 2.005 17.130 2.855 1.00 0.00 N ATOM 1566 CA GLN A 99 2.175 18.381 2.123 1.00 0.00 C ATOM 1567 C GLN A 99 1.528 18.302 0.742 1.00 0.00 C ATOM 1568 O GLN A 99 0.687 19.131 0.395 1.00 0.00 O ATOM 1569 CB GLN A 99 3.665 18.692 1.970 1.00 0.00 C ATOM 1570 CG GLN A 99 3.861 20.204 1.839 1.00 0.00 C ATOM 1571 CD GLN A 99 3.404 20.901 3.114 1.00 0.00 C ATOM 1572 OE1 GLN A 99 4.172 21.017 4.068 1.00 0.00 O ATOM 1573 NE2 GLN A 99 2.191 21.374 3.189 1.00 0.00 N ATOM 0 H GLN A 99 2.863 16.595 2.986 1.00 0.00 H new ATOM 0 HA GLN A 99 1.687 19.175 2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.216 18.317 2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.065 18.185 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.911 20.428 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.295 20.580 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.556 21.277 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.877 21.841 4.040 1.00 0.00 H new ATOM 1582 N TYR A 100 1.926 17.305 -0.045 1.00 0.00 N ATOM 1583 CA TYR A 100 1.376 17.138 -1.388 1.00 0.00 C ATOM 1584 C TYR A 100 0.631 15.813 -1.507 1.00 0.00 C ATOM 1585 O TYR A 100 0.139 15.460 -2.580 1.00 0.00 O ATOM 1586 CB TYR A 100 2.499 17.188 -2.425 1.00 0.00 C ATOM 1587 CG TYR A 100 1.957 17.722 -3.729 1.00 0.00 C ATOM 1588 CD1 TYR A 100 1.588 19.068 -3.835 1.00 0.00 C ATOM 1589 CD2 TYR A 100 1.823 16.870 -4.832 1.00 0.00 C ATOM 1590 CE1 TYR A 100 1.084 19.563 -5.043 1.00 0.00 C ATOM 1591 CE2 TYR A 100 1.318 17.365 -6.041 1.00 0.00 C ATOM 1592 CZ TYR A 100 0.949 18.711 -6.146 1.00 0.00 C ATOM 1593 OH TYR A 100 0.452 19.199 -7.339 1.00 0.00 O ATOM 0 H TYR A 100 2.621 16.607 0.220 1.00 0.00 H new ATOM 0 HA TYR A 100 0.675 17.952 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.310 17.823 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.916 16.192 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.692 19.725 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.109 15.832 -4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.799 20.602 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.213 16.708 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 100 0.424 18.477 -8.002 1.00 0.00 H new ATOM 1603 N PHE A 101 0.549 15.087 -0.400 1.00 0.00 N ATOM 1604 CA PHE A 101 -0.142 13.804 -0.385 1.00 0.00 C ATOM 1605 C PHE A 101 -1.504 13.920 -1.076 1.00 0.00 C ATOM 1606 O PHE A 101 -1.771 13.216 -2.051 1.00 0.00 O ATOM 1607 CB PHE A 101 -0.315 13.325 1.062 1.00 0.00 C ATOM 1608 CG PHE A 101 -1.610 12.560 1.206 1.00 0.00 C ATOM 1609 CD1 PHE A 101 -1.961 11.596 0.252 1.00 0.00 C ATOM 1610 CD2 PHE A 101 -2.459 12.815 2.289 1.00 0.00 C ATOM 1611 CE1 PHE A 101 -3.161 10.888 0.382 1.00 0.00 C ATOM 1612 CE2 PHE A 101 -3.659 12.106 2.418 1.00 0.00 C ATOM 1613 CZ PHE A 101 -4.010 11.142 1.465 1.00 0.00 C ATOM 0 H PHE A 101 0.951 15.363 0.496 1.00 0.00 H new ATOM 0 HA PHE A 101 0.456 13.074 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.524 12.690 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.311 14.179 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.306 11.399 -0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.189 13.558 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.432 10.145 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.315 12.303 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.936 10.595 1.566 1.00 0.00 H new ATOM 1623 N PRO A 102 -2.365 14.785 -0.594 1.00 0.00 N ATOM 1624 CA PRO A 102 -3.724 14.982 -1.185 1.00 0.00 C ATOM 1625 C PRO A 102 -3.662 15.404 -2.651 1.00 0.00 C ATOM 1626 O PRO A 102 -4.351 14.836 -3.498 1.00 0.00 O ATOM 1627 CB PRO A 102 -4.356 16.085 -0.328 1.00 0.00 C ATOM 1628 CG PRO A 102 -3.228 16.729 0.409 1.00 0.00 C ATOM 1629 CD PRO A 102 -2.146 15.666 0.562 1.00 0.00 C ATOM 0 HA PRO A 102 -4.300 14.056 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.881 16.810 -0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.088 15.670 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.849 17.592 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.557 17.090 1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.148 16.104 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.245 15.125 1.503 1.00 0.00 H new ATOM 1637 N ALA A 103 -2.836 16.404 -2.946 1.00 0.00 N ATOM 1638 CA ALA A 103 -2.702 16.888 -4.315 1.00 0.00 C ATOM 1639 C ALA A 103 -2.573 15.715 -5.278 1.00 0.00 C ATOM 1640 O ALA A 103 -3.035 15.780 -6.419 1.00 0.00 O ATOM 1641 CB ALA A 103 -1.473 17.791 -4.434 1.00 0.00 C ATOM 0 H ALA A 103 -2.255 16.890 -2.263 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.593 17.461 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.381 18.147 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.581 18.643 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.580 17.227 -4.165 1.00 0.00 H new ATOM 1647 N LEU A 104 -1.956 14.638 -4.808 1.00 0.00 N ATOM 1648 CA LEU A 104 -1.786 13.448 -5.631 1.00 0.00 C ATOM 1649 C LEU A 104 -3.008 12.549 -5.497 1.00 0.00 C ATOM 1650 O LEU A 104 -3.381 11.845 -6.435 1.00 0.00 O ATOM 1651 CB LEU A 104 -0.532 12.686 -5.199 1.00 0.00 C ATOM 1652 CG LEU A 104 0.002 11.872 -6.379 1.00 0.00 C ATOM 1653 CD1 LEU A 104 0.998 12.716 -7.175 1.00 0.00 C ATOM 1654 CD2 LEU A 104 0.704 10.618 -5.854 1.00 0.00 C ATOM 0 H LEU A 104 -1.568 14.564 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.675 13.750 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.229 13.384 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.764 12.026 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.827 11.584 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.378 12.135 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.500 13.611 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.828 13.005 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.085 10.036 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.532 10.908 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.005 10.015 -5.287 1.00 0.00 H new ATOM 1666 N GLN A 105 -3.632 12.590 -4.323 1.00 0.00 N ATOM 1667 CA GLN A 105 -4.820 11.786 -4.069 1.00 0.00 C ATOM 1668 C GLN A 105 -5.910 12.125 -5.080 1.00 0.00 C ATOM 1669 O GLN A 105 -6.610 11.242 -5.575 1.00 0.00 O ATOM 1670 CB GLN A 105 -5.333 12.049 -2.651 1.00 0.00 C ATOM 1671 CG GLN A 105 -6.560 11.178 -2.375 1.00 0.00 C ATOM 1672 CD GLN A 105 -7.310 11.708 -1.158 1.00 0.00 C ATOM 1673 OE1 GLN A 105 -6.744 12.444 -0.350 1.00 0.00 O ATOM 1674 NE2 GLN A 105 -8.559 11.375 -0.976 1.00 0.00 N ATOM 0 H GLN A 105 -3.335 13.169 -3.537 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.559 10.732 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.550 11.831 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.590 13.102 -2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.217 11.174 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.253 10.146 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.027 10.765 -1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.067 11.725 -0.164 1.00 0.00 H new ATOM 1683 N LYS A 106 -6.041 13.412 -5.387 1.00 0.00 N ATOM 1684 CA LYS A 106 -7.043 13.858 -6.346 1.00 0.00 C ATOM 1685 C LYS A 106 -6.747 13.274 -7.722 1.00 0.00 C ATOM 1686 O LYS A 106 -7.659 12.912 -8.466 1.00 0.00 O ATOM 1687 CB LYS A 106 -7.051 15.386 -6.425 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.290 15.854 -7.193 1.00 0.00 C ATOM 1689 CD LYS A 106 -9.054 16.883 -6.355 1.00 0.00 C ATOM 1690 CE LYS A 106 -10.148 17.527 -7.209 1.00 0.00 C ATOM 1691 NZ LYS A 106 -10.678 18.734 -6.513 1.00 0.00 N ATOM 0 H LYS A 106 -5.471 14.158 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.022 13.513 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.050 15.812 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.148 15.739 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.995 16.293 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.933 15.004 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.495 16.401 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.370 17.647 -5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.747 17.803 -8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.953 16.814 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.422 19.171 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.075 18.457 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.907 19.417 -6.366 1.00 0.00 H new ATOM 1705 N PHE A 107 -5.462 13.181 -8.051 1.00 0.00 N ATOM 1706 CA PHE A 107 -5.048 12.633 -9.337 1.00 0.00 C ATOM 1707 C PHE A 107 -5.100 11.107 -9.309 1.00 0.00 C ATOM 1708 O PHE A 107 -5.490 10.472 -10.288 1.00 0.00 O ATOM 1709 CB PHE A 107 -3.624 13.088 -9.666 1.00 0.00 C ATOM 1710 CG PHE A 107 -3.544 13.487 -11.120 1.00 0.00 C ATOM 1711 CD1 PHE A 107 -4.011 12.617 -12.113 1.00 0.00 C ATOM 1712 CD2 PHE A 107 -2.999 14.727 -11.476 1.00 0.00 C ATOM 1713 CE1 PHE A 107 -3.934 12.988 -13.461 1.00 0.00 C ATOM 1714 CE2 PHE A 107 -2.923 15.097 -12.825 1.00 0.00 C ATOM 1715 CZ PHE A 107 -3.390 14.228 -13.817 1.00 0.00 C ATOM 0 H PHE A 107 -4.694 13.476 -7.448 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.732 12.997 -10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.344 13.929 -9.032 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.917 12.284 -9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.430 11.660 -11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.637 15.398 -10.711 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.295 12.317 -14.227 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.504 16.054 -13.099 1.00 0.00 H new ATOM 0 HZ PHE A 107 -3.331 14.514 -14.857 1.00 0.00 H new ATOM 1725 N THR A 108 -4.705 10.528 -8.179 1.00 0.00 N ATOM 1726 CA THR A 108 -4.711 9.076 -8.033 1.00 0.00 C ATOM 1727 C THR A 108 -6.139 8.557 -7.896 1.00 0.00 C ATOM 1728 O THR A 108 -6.444 7.440 -8.312 1.00 0.00 O ATOM 1729 CB THR A 108 -3.901 8.671 -6.799 1.00 0.00 C ATOM 1730 OG1 THR A 108 -2.683 9.402 -6.773 1.00 0.00 O ATOM 1731 CG2 THR A 108 -3.598 7.172 -6.856 1.00 0.00 C ATOM 0 H THR A 108 -4.379 11.037 -7.357 1.00 0.00 H new ATOM 0 HA THR A 108 -4.260 8.639 -8.924 1.00 0.00 H new ATOM 0 HB THR A 108 -4.475 8.890 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.841 10.288 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.021 6.884 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.533 6.612 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.024 6.951 -7.756 1.00 0.00 H new ATOM 1739 N VAL A 109 -7.008 9.373 -7.312 1.00 0.00 N ATOM 1740 CA VAL A 109 -8.401 8.981 -7.130 1.00 0.00 C ATOM 1741 C VAL A 109 -9.169 9.113 -8.440 1.00 0.00 C ATOM 1742 O VAL A 109 -9.946 8.234 -8.810 1.00 0.00 O ATOM 1743 CB VAL A 109 -9.056 9.857 -6.061 1.00 0.00 C ATOM 1744 CG1 VAL A 109 -10.577 9.791 -6.211 1.00 0.00 C ATOM 1745 CG2 VAL A 109 -8.660 9.348 -4.673 1.00 0.00 C ATOM 0 H VAL A 109 -6.777 10.302 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.427 7.939 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.722 10.888 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.045 10.415 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.861 10.151 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -10.910 8.760 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.126 9.972 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.995 8.318 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.576 9.392 -4.565 1.00 0.00 H new ATOM 1755 N LEU A 110 -8.945 10.219 -9.142 1.00 0.00 N ATOM 1756 CA LEU A 110 -9.625 10.455 -10.410 1.00 0.00 C ATOM 1757 C LEU A 110 -9.093 9.515 -11.488 1.00 0.00 C ATOM 1758 O LEU A 110 -9.822 9.128 -12.401 1.00 0.00 O ATOM 1759 CB LEU A 110 -9.416 11.906 -10.849 1.00 0.00 C ATOM 1760 CG LEU A 110 -10.283 12.198 -12.074 1.00 0.00 C ATOM 1761 CD1 LEU A 110 -11.709 12.520 -11.626 1.00 0.00 C ATOM 1762 CD2 LEU A 110 -9.704 13.394 -12.834 1.00 0.00 C ATOM 0 H LEU A 110 -8.304 10.960 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.689 10.264 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.676 12.584 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.366 12.078 -11.084 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.297 11.325 -12.726 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -12.327 12.728 -12.500 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.121 11.669 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -11.697 13.393 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.321 13.603 -13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.690 14.267 -12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.688 13.164 -13.154 1.00 0.00 H new ATOM 1774 N ASP A 111 -7.819 9.157 -11.379 1.00 0.00 N ATOM 1775 CA ASP A 111 -7.198 8.269 -12.356 1.00 0.00 C ATOM 1776 C ASP A 111 -7.461 6.802 -12.019 1.00 0.00 C ATOM 1777 O ASP A 111 -7.877 6.026 -12.879 1.00 0.00 O ATOM 1778 CB ASP A 111 -5.690 8.519 -12.404 1.00 0.00 C ATOM 1779 CG ASP A 111 -5.032 7.560 -13.391 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -4.762 6.436 -13.002 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -4.810 7.964 -14.520 1.00 0.00 O ATOM 0 H ASP A 111 -7.199 9.465 -10.630 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.638 8.482 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.493 9.549 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.259 8.385 -11.412 1.00 0.00 H new ATOM 1786 N LEU A 112 -7.201 6.423 -10.771 1.00 0.00 N ATOM 1787 CA LEU A 112 -7.401 5.038 -10.351 1.00 0.00 C ATOM 1788 C LEU A 112 -8.656 4.886 -9.495 1.00 0.00 C ATOM 1789 O LEU A 112 -9.273 3.822 -9.475 1.00 0.00 O ATOM 1790 CB LEU A 112 -6.185 4.557 -9.558 1.00 0.00 C ATOM 1791 CG LEU A 112 -4.986 4.403 -10.499 1.00 0.00 C ATOM 1792 CD1 LEU A 112 -3.806 5.215 -9.963 1.00 0.00 C ATOM 1793 CD2 LEU A 112 -4.590 2.927 -10.585 1.00 0.00 C ATOM 0 H LEU A 112 -6.856 7.046 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.526 4.433 -11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.950 5.268 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.406 3.605 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.256 4.766 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.954 5.104 -10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.086 6.267 -9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.536 4.853 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.737 2.818 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.322 2.564 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.429 2.347 -10.969 1.00 0.00 H new ATOM 1805 N GLY A 113 -9.030 5.946 -8.787 1.00 0.00 N ATOM 1806 CA GLY A 113 -10.214 5.892 -7.935 1.00 0.00 C ATOM 1807 C GLY A 113 -10.255 4.583 -7.154 1.00 0.00 C ATOM 1808 O GLY A 113 -11.327 4.028 -6.912 1.00 0.00 O ATOM 0 H GLY A 113 -8.540 6.840 -8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.209 6.734 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.112 5.986 -8.545 1.00 0.00 H new ATOM 1812 N MET A 114 -9.081 4.097 -6.763 1.00 0.00 N ATOM 1813 CA MET A 114 -8.993 2.851 -6.009 1.00 0.00 C ATOM 1814 C MET A 114 -9.116 3.121 -4.512 1.00 0.00 C ATOM 1815 O MET A 114 -9.624 4.163 -4.098 1.00 0.00 O ATOM 1816 CB MET A 114 -7.657 2.160 -6.299 1.00 0.00 C ATOM 1817 CG MET A 114 -7.909 0.812 -6.979 1.00 0.00 C ATOM 1818 SD MET A 114 -8.901 1.065 -8.472 1.00 0.00 S ATOM 1819 CE MET A 114 -8.586 -0.549 -9.228 1.00 0.00 C ATOM 0 H MET A 114 -8.184 4.543 -6.954 1.00 0.00 H new ATOM 0 HA MET A 114 -9.812 2.201 -6.317 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.042 2.792 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.104 2.012 -5.371 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.961 0.339 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.426 0.139 -6.295 1.00 0.00 H new ATOM 0 HE1 MET A 114 -9.113 -0.614 -10.180 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.516 -0.669 -9.396 1.00 0.00 H new ATOM 0 HE3 MET A 114 -8.940 -1.337 -8.563 1.00 0.00 H new ATOM 1829 N VAL A 115 -8.645 2.175 -3.706 1.00 0.00 N ATOM 1830 CA VAL A 115 -8.703 2.320 -2.257 1.00 0.00 C ATOM 1831 C VAL A 115 -7.381 2.858 -1.723 1.00 0.00 C ATOM 1832 O VAL A 115 -6.325 2.265 -1.945 1.00 0.00 O ATOM 1833 CB VAL A 115 -9.007 0.969 -1.609 1.00 0.00 C ATOM 1834 CG1 VAL A 115 -9.127 1.142 -0.095 1.00 0.00 C ATOM 1835 CG2 VAL A 115 -10.325 0.423 -2.164 1.00 0.00 C ATOM 0 H VAL A 115 -8.222 1.305 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.496 3.026 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.200 0.271 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.344 0.178 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.190 1.531 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.933 1.840 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.543 -0.540 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.131 1.122 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.241 0.298 -3.244 1.00 0.00 H new ATOM 1845 N LEU A 116 -7.445 3.982 -1.018 1.00 0.00 N ATOM 1846 CA LEU A 116 -6.244 4.589 -0.458 1.00 0.00 C ATOM 1847 C LEU A 116 -6.247 4.484 1.063 1.00 0.00 C ATOM 1848 O LEU A 116 -7.255 4.765 1.713 1.00 0.00 O ATOM 1849 CB LEU A 116 -6.161 6.059 -0.873 1.00 0.00 C ATOM 1850 CG LEU A 116 -5.532 6.160 -2.265 1.00 0.00 C ATOM 1851 CD1 LEU A 116 -6.322 7.159 -3.112 1.00 0.00 C ATOM 1852 CD2 LEU A 116 -4.084 6.636 -2.135 1.00 0.00 C ATOM 0 H LEU A 116 -8.309 4.488 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.376 4.054 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.156 6.503 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.566 6.619 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.553 5.182 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.874 7.230 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.354 6.821 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.302 8.138 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.635 6.708 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.064 7.614 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.520 5.925 -1.532 1.00 0.00 H new ATOM 1864 N LEU A 117 -5.114 4.078 1.624 1.00 0.00 N ATOM 1865 CA LEU A 117 -4.993 3.937 3.070 1.00 0.00 C ATOM 1866 C LEU A 117 -3.580 4.288 3.524 1.00 0.00 C ATOM 1867 O LEU A 117 -2.712 3.420 3.617 1.00 0.00 O ATOM 1868 CB LEU A 117 -5.324 2.502 3.484 1.00 0.00 C ATOM 1869 CG LEU A 117 -6.833 2.277 3.371 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -7.135 0.779 3.450 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -7.548 3.002 4.516 1.00 0.00 C ATOM 0 H LEU A 117 -4.270 3.842 1.103 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.696 4.622 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.791 1.796 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.994 2.321 4.507 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.185 2.669 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.210 0.620 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.630 0.262 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -6.781 0.386 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.623 2.841 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.194 2.612 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.336 4.070 4.459 1.00 0.00 H new ATOM 1883 N PRO A 118 -3.338 5.540 3.803 1.00 0.00 N ATOM 1884 CA PRO A 118 -2.006 6.024 4.252 1.00 0.00 C ATOM 1885 C PRO A 118 -1.772 5.771 5.738 1.00 0.00 C ATOM 1886 O PRO A 118 -2.718 5.593 6.505 1.00 0.00 O ATOM 1887 CB PRO A 118 -2.057 7.521 3.953 1.00 0.00 C ATOM 1888 CG PRO A 118 -3.501 7.897 4.028 1.00 0.00 C ATOM 1889 CD PRO A 118 -4.317 6.636 3.718 1.00 0.00 C ATOM 0 HA PRO A 118 -1.188 5.509 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.467 8.085 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.646 7.738 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.747 8.280 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.730 8.688 3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -5.128 6.501 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.770 6.689 2.728 1.00 0.00 H new ATOM 1897 N VAL A 119 -0.504 5.759 6.138 1.00 0.00 N ATOM 1898 CA VAL A 119 -0.157 5.529 7.534 1.00 0.00 C ATOM 1899 C VAL A 119 0.758 6.640 8.046 1.00 0.00 C ATOM 1900 O VAL A 119 0.525 7.819 7.783 1.00 0.00 O ATOM 1901 CB VAL A 119 0.536 4.172 7.685 1.00 0.00 C ATOM 1902 CG1 VAL A 119 -0.392 3.065 7.178 1.00 0.00 C ATOM 1903 CG2 VAL A 119 1.831 4.159 6.868 1.00 0.00 C ATOM 0 H VAL A 119 0.294 5.905 5.520 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.073 5.530 8.125 1.00 0.00 H new ATOM 0 HB VAL A 119 0.769 4.003 8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.101 2.099 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.314 3.068 7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.625 3.238 6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 119 2.321 3.192 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.600 4.331 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.495 4.945 7.227 1.00 0.00 H new ATOM 1913 N ALA A 120 1.799 6.254 8.776 1.00 0.00 N ATOM 1914 CA ALA A 120 2.745 7.223 9.317 1.00 0.00 C ATOM 1915 C ALA A 120 4.109 6.574 9.518 1.00 0.00 C ATOM 1916 O ALA A 120 5.145 7.180 9.245 1.00 0.00 O ATOM 1917 CB ALA A 120 2.233 7.765 10.653 1.00 0.00 C ATOM 0 H ALA A 120 2.008 5.283 9.006 1.00 0.00 H new ATOM 0 HA ALA A 120 2.844 8.045 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.946 8.488 11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.269 8.251 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.119 6.943 11.360 1.00 0.00 H new ATOM 1923 N SER A 121 4.099 5.333 9.995 1.00 0.00 N ATOM 1924 CA SER A 121 5.338 4.602 10.227 1.00 0.00 C ATOM 1925 C SER A 121 5.193 3.154 9.771 1.00 0.00 C ATOM 1926 O SER A 121 4.080 2.637 9.661 1.00 0.00 O ATOM 1927 CB SER A 121 5.696 4.638 11.714 1.00 0.00 C ATOM 1928 OG SER A 121 4.788 3.813 12.434 1.00 0.00 O ATOM 0 H SER A 121 3.251 4.816 10.227 1.00 0.00 H new ATOM 0 HA SER A 121 6.134 5.077 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.718 4.290 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.650 5.661 12.087 1.00 0.00 H new ATOM 0 HG SER A 121 3.876 4.155 12.322 1.00 0.00 H new ATOM 1934 N GLN A 122 6.320 2.505 9.505 1.00 0.00 N ATOM 1935 CA GLN A 122 6.300 1.117 9.060 1.00 0.00 C ATOM 1936 C GLN A 122 5.599 0.233 10.088 1.00 0.00 C ATOM 1937 O GLN A 122 5.047 -0.813 9.747 1.00 0.00 O ATOM 1938 CB GLN A 122 7.729 0.617 8.842 1.00 0.00 C ATOM 1939 CG GLN A 122 8.095 0.750 7.363 1.00 0.00 C ATOM 1940 CD GLN A 122 9.598 0.584 7.178 1.00 0.00 C ATOM 1941 OE1 GLN A 122 10.381 1.028 8.019 1.00 0.00 O ATOM 1942 NE2 GLN A 122 10.053 -0.033 6.122 1.00 0.00 N ATOM 0 H GLN A 122 7.251 2.913 9.589 1.00 0.00 H new ATOM 0 HA GLN A 122 5.751 1.065 8.120 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.424 1.193 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.814 -0.423 9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.564 -0.002 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.780 1.724 6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.404 -0.400 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.058 -0.148 5.992 1.00 0.00 H new ATOM 1951 N MET A 123 5.623 0.662 11.345 1.00 0.00 N ATOM 1952 CA MET A 123 4.984 -0.099 12.413 1.00 0.00 C ATOM 1953 C MET A 123 3.477 -0.176 12.194 1.00 0.00 C ATOM 1954 O MET A 123 2.872 -1.239 12.332 1.00 0.00 O ATOM 1955 CB MET A 123 5.273 0.555 13.766 1.00 0.00 C ATOM 1956 CG MET A 123 6.748 0.365 14.125 1.00 0.00 C ATOM 1957 SD MET A 123 7.675 1.852 13.674 1.00 0.00 S ATOM 1958 CE MET A 123 8.125 2.357 15.352 1.00 0.00 C ATOM 0 H MET A 123 6.074 1.525 11.648 1.00 0.00 H new ATOM 0 HA MET A 123 5.391 -1.110 12.404 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.032 1.617 13.726 1.00 0.00 H new ATOM 0 HB3 MET A 123 4.641 0.114 14.537 1.00 0.00 H new ATOM 0 HG2 MET A 123 6.851 0.169 15.192 1.00 0.00 H new ATOM 0 HG3 MET A 123 7.152 -0.501 13.601 1.00 0.00 H new ATOM 0 HE1 MET A 123 8.714 3.273 15.311 1.00 0.00 H new ATOM 0 HE2 MET A 123 7.220 2.533 15.934 1.00 0.00 H new ATOM 0 HE3 MET A 123 8.712 1.569 15.824 1.00 0.00 H new ATOM 1968 N GLU A 124 2.873 0.959 11.853 1.00 0.00 N ATOM 1969 CA GLU A 124 1.434 1.005 11.619 1.00 0.00 C ATOM 1970 C GLU A 124 1.026 -0.025 10.569 1.00 0.00 C ATOM 1971 O GLU A 124 0.203 -0.900 10.834 1.00 0.00 O ATOM 1972 CB GLU A 124 1.024 2.405 11.152 1.00 0.00 C ATOM 1973 CG GLU A 124 0.250 3.113 12.267 1.00 0.00 C ATOM 1974 CD GLU A 124 1.200 3.503 13.394 1.00 0.00 C ATOM 1975 OE1 GLU A 124 2.357 3.755 13.105 1.00 0.00 O ATOM 1976 OE2 GLU A 124 0.755 3.543 14.529 1.00 0.00 O ATOM 0 H GLU A 124 3.353 1.851 11.734 1.00 0.00 H new ATOM 0 HA GLU A 124 0.926 0.772 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.908 2.984 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.407 2.334 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -0.243 4.001 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.533 2.458 12.650 1.00 0.00 H new ATOM 1983 N ALA A 125 1.606 0.090 9.380 1.00 0.00 N ATOM 1984 CA ALA A 125 1.301 -0.833 8.294 1.00 0.00 C ATOM 1985 C ALA A 125 1.465 -2.271 8.762 1.00 0.00 C ATOM 1986 O ALA A 125 0.522 -3.058 8.711 1.00 0.00 O ATOM 1987 CB ALA A 125 2.228 -0.569 7.106 1.00 0.00 C ATOM 0 H ALA A 125 2.288 0.811 9.144 1.00 0.00 H new ATOM 0 HA ALA A 125 0.268 -0.677 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.993 -1.263 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.089 0.454 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.264 -0.709 7.415 1.00 0.00 H new ATOM 1993 N SER A 126 2.662 -2.608 9.229 1.00 0.00 N ATOM 1994 CA SER A 126 2.913 -3.957 9.714 1.00 0.00 C ATOM 1995 C SER A 126 1.744 -4.412 10.573 1.00 0.00 C ATOM 1996 O SER A 126 1.306 -5.560 10.494 1.00 0.00 O ATOM 1997 CB SER A 126 4.201 -3.989 10.536 1.00 0.00 C ATOM 1998 OG SER A 126 3.948 -4.630 11.780 1.00 0.00 O ATOM 0 H SER A 126 3.461 -1.976 9.281 1.00 0.00 H new ATOM 0 HA SER A 126 3.022 -4.628 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.981 -4.521 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 126 4.565 -2.975 10.703 1.00 0.00 H new ATOM 0 HG SER A 126 4.772 -4.654 12.309 1.00 0.00 H new ATOM 2004 N CYS A 127 1.234 -3.492 11.386 1.00 0.00 N ATOM 2005 CA CYS A 127 0.105 -3.790 12.252 1.00 0.00 C ATOM 2006 C CYS A 127 -1.205 -3.594 11.496 1.00 0.00 C ATOM 2007 O CYS A 127 -2.215 -4.224 11.813 1.00 0.00 O ATOM 2008 CB CYS A 127 0.132 -2.880 13.481 1.00 0.00 C ATOM 2009 SG CYS A 127 1.130 -3.650 14.780 1.00 0.00 S ATOM 0 H CYS A 127 1.585 -2.537 11.461 1.00 0.00 H new ATOM 0 HA CYS A 127 0.177 -4.829 12.574 1.00 0.00 H new ATOM 0 HB2 CYS A 127 0.547 -1.907 13.217 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.882 -2.707 13.841 1.00 0.00 H new ATOM 0 HG CYS A 127 1.155 -2.876 15.824 1.00 0.00 H new ATOM 2015 N LEU A 128 -1.186 -2.716 10.494 1.00 0.00 N ATOM 2016 CA LEU A 128 -2.387 -2.452 9.705 1.00 0.00 C ATOM 2017 C LEU A 128 -2.633 -3.575 8.704 1.00 0.00 C ATOM 2018 O LEU A 128 -3.768 -3.825 8.300 1.00 0.00 O ATOM 2019 CB LEU A 128 -2.240 -1.126 8.957 1.00 0.00 C ATOM 2020 CG LEU A 128 -3.527 -0.319 9.101 1.00 0.00 C ATOM 2021 CD1 LEU A 128 -3.307 1.098 8.573 1.00 0.00 C ATOM 2022 CD2 LEU A 128 -4.643 -0.993 8.302 1.00 0.00 C ATOM 0 H LEU A 128 -0.364 -2.182 10.212 1.00 0.00 H new ATOM 0 HA LEU A 128 -3.237 -2.395 10.385 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.397 -0.562 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -2.029 -1.311 7.904 1.00 0.00 H new ATOM 0 HG LEU A 128 -3.809 -0.273 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.228 1.672 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.513 1.580 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.023 1.055 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.563 -0.417 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.360 -1.041 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -4.803 -2.002 8.681 1.00 0.00 H new ATOM 2034 N VAL A 129 -1.559 -4.243 8.308 1.00 0.00 N ATOM 2035 CA VAL A 129 -1.656 -5.338 7.349 1.00 0.00 C ATOM 2036 C VAL A 129 -2.368 -6.535 7.970 1.00 0.00 C ATOM 2037 O VAL A 129 -3.424 -6.954 7.498 1.00 0.00 O ATOM 2038 CB VAL A 129 -0.255 -5.754 6.893 1.00 0.00 C ATOM 2039 CG1 VAL A 129 -0.289 -7.197 6.388 1.00 0.00 C ATOM 2040 CG2 VAL A 129 0.205 -4.830 5.762 1.00 0.00 C ATOM 0 H VAL A 129 -0.612 -4.048 8.634 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.233 -4.995 6.490 1.00 0.00 H new ATOM 0 HB VAL A 129 0.438 -5.680 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.709 -7.493 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -0.619 -7.856 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.981 -7.273 5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.202 -5.124 5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -0.489 -4.907 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 129 0.229 -3.801 6.120 1.00 0.00 H new ATOM 2050 N ILE A 130 -1.784 -7.081 9.029 1.00 0.00 N ATOM 2051 CA ILE A 130 -2.373 -8.230 9.705 1.00 0.00 C ATOM 2052 C ILE A 130 -3.780 -7.898 10.192 1.00 0.00 C ATOM 2053 O ILE A 130 -4.709 -8.689 10.026 1.00 0.00 O ATOM 2054 CB ILE A 130 -1.495 -8.637 10.890 1.00 0.00 C ATOM 2055 CG1 ILE A 130 -0.411 -9.600 10.406 1.00 0.00 C ATOM 2056 CG2 ILE A 130 -2.350 -9.328 11.956 1.00 0.00 C ATOM 2057 CD1 ILE A 130 0.640 -9.779 11.501 1.00 0.00 C ATOM 0 H ILE A 130 -0.909 -6.750 9.436 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.435 -9.059 9.000 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.034 -7.748 11.321 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.853 -10.563 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.055 -9.213 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.720 -9.616 12.798 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.125 -8.644 12.301 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.814 -10.217 11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.413 -10.466 11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.090 -8.814 11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.168 -10.185 12.396 1.00 0.00 H new ATOM 2069 N GLN A 131 -3.926 -6.725 10.796 1.00 0.00 N ATOM 2070 CA GLN A 131 -5.222 -6.293 11.307 1.00 0.00 C ATOM 2071 C GLN A 131 -6.321 -6.546 10.281 1.00 0.00 C ATOM 2072 O GLN A 131 -7.477 -6.774 10.640 1.00 0.00 O ATOM 2073 CB GLN A 131 -5.175 -4.803 11.649 1.00 0.00 C ATOM 2074 CG GLN A 131 -6.600 -4.247 11.710 1.00 0.00 C ATOM 2075 CD GLN A 131 -6.598 -2.872 12.372 1.00 0.00 C ATOM 2076 OE1 GLN A 131 -7.493 -2.064 12.126 1.00 0.00 O ATOM 2077 NE2 GLN A 131 -5.641 -2.556 13.202 1.00 0.00 N ATOM 0 H GLN A 131 -3.168 -6.059 10.944 1.00 0.00 H new ATOM 0 HA GLN A 131 -5.445 -6.868 12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -4.674 -4.654 12.606 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -4.595 -4.265 10.899 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.014 -4.174 10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.241 -4.928 12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -4.900 -3.227 13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -5.635 -1.638 13.647 1.00 0.00 H new ATOM 2086 N LEU A 132 -5.958 -6.502 9.004 1.00 0.00 N ATOM 2087 CA LEU A 132 -6.926 -6.724 7.936 1.00 0.00 C ATOM 2088 C LEU A 132 -7.250 -8.210 7.799 1.00 0.00 C ATOM 2089 O LEU A 132 -8.416 -8.597 7.739 1.00 0.00 O ATOM 2090 CB LEU A 132 -6.374 -6.196 6.611 1.00 0.00 C ATOM 2091 CG LEU A 132 -6.913 -4.787 6.358 1.00 0.00 C ATOM 2092 CD1 LEU A 132 -5.978 -4.047 5.399 1.00 0.00 C ATOM 2093 CD2 LEU A 132 -8.309 -4.881 5.737 1.00 0.00 C ATOM 0 H LEU A 132 -5.007 -6.316 8.684 1.00 0.00 H new ATOM 0 HA LEU A 132 -7.841 -6.188 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -5.284 -6.180 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -6.662 -6.859 5.795 1.00 0.00 H new ATOM 0 HG LEU A 132 -6.969 -4.244 7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -6.362 -3.043 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -4.983 -3.981 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -5.922 -4.589 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -8.695 -3.878 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -8.252 -5.424 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -8.976 -5.409 6.419 1.00 0.00 H new ATOM 2105 N VAL A 133 -6.210 -9.036 7.747 1.00 0.00 N ATOM 2106 CA VAL A 133 -6.399 -10.478 7.612 1.00 0.00 C ATOM 2107 C VAL A 133 -7.032 -11.062 8.871 1.00 0.00 C ATOM 2108 O VAL A 133 -8.034 -11.772 8.801 1.00 0.00 O ATOM 2109 CB VAL A 133 -5.054 -11.158 7.354 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -5.285 -12.627 6.991 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -4.340 -10.457 6.196 1.00 0.00 C ATOM 0 H VAL A 133 -5.236 -8.737 7.796 1.00 0.00 H new ATOM 0 HA VAL A 133 -7.067 -10.658 6.770 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.440 -11.096 8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.326 -13.111 6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.794 -13.129 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.900 -12.688 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.381 -10.942 6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -4.955 -10.518 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.174 -9.410 6.451 1.00 0.00 H new ATOM 2121 N GLN A 134 -6.436 -10.763 10.021 1.00 0.00 N ATOM 2122 CA GLN A 134 -6.946 -11.269 11.290 1.00 0.00 C ATOM 2123 C GLN A 134 -8.430 -10.947 11.448 1.00 0.00 C ATOM 2124 O GLN A 134 -9.181 -11.719 12.044 1.00 0.00 O ATOM 2125 CB GLN A 134 -6.164 -10.650 12.451 1.00 0.00 C ATOM 2126 CG GLN A 134 -5.938 -11.706 13.534 1.00 0.00 C ATOM 2127 CD GLN A 134 -7.278 -12.176 14.090 1.00 0.00 C ATOM 2128 OE1 GLN A 134 -7.649 -13.338 13.919 1.00 0.00 O ATOM 2129 NE2 GLN A 134 -8.031 -11.339 14.749 1.00 0.00 N ATOM 0 H GLN A 134 -5.605 -10.177 10.100 1.00 0.00 H new ATOM 0 HA GLN A 134 -6.821 -12.352 11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.207 -10.267 12.096 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -6.713 -9.803 12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.390 -12.552 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.327 -11.292 14.336 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -7.722 -10.377 14.890 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -8.929 -11.646 15.124 1.00 0.00 H new ATOM 2138 N GLU A 135 -8.843 -9.802 10.916 1.00 0.00 N ATOM 2139 CA GLU A 135 -10.240 -9.390 11.011 1.00 0.00 C ATOM 2140 C GLU A 135 -11.146 -10.367 10.267 1.00 0.00 C ATOM 2141 O GLU A 135 -12.053 -10.957 10.856 1.00 0.00 O ATOM 2142 CB GLU A 135 -10.409 -7.987 10.425 1.00 0.00 C ATOM 2143 CG GLU A 135 -11.887 -7.738 10.113 1.00 0.00 C ATOM 2144 CD GLU A 135 -12.746 -8.145 11.304 1.00 0.00 C ATOM 2145 OE1 GLU A 135 -12.348 -7.860 12.421 1.00 0.00 O ATOM 2146 OE2 GLU A 135 -13.792 -8.735 11.082 1.00 0.00 O ATOM 0 H GLU A 135 -8.238 -9.148 10.419 1.00 0.00 H new ATOM 0 HA GLU A 135 -10.524 -9.384 12.063 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -10.045 -7.240 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -9.813 -7.886 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -12.046 -6.685 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.182 -8.306 9.230 1.00 0.00 H new