USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : no HD1:sc= -2.75 X(o=-5.1,f=-4.8) USER MOD Set 1.2: A 67 ASN : amide:sc= -2.33 K(o=-5.1,f=-6.9!) USER MOD Single : A 21 THR OG1 : rot 157:sc= 0.567 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 150:sc= -0.785 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.43! C(o=-2.4!,f=-13!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 45 ASN : amide:sc= -5.31! C(o=-5.3!,f=-19!) USER MOD Single : A 51 SER OG : rot -100:sc= 0.528 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.55! X(o=-1.6!,f=-1.2) USER MOD Single : A 65 MET CE :methyl -124:sc= 0 (180deg=-0.506) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-1.1) USER MOD Single : A 74 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.041) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.57) USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 0.99 (180deg=0.398) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0.788 (180deg=0.307) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 SER OG : rot 180:sc=0.000712 USER MOD Single : A 94 CYS SG : rot 122:sc= -0.965 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0814 K(o=-0.081,f=-0.79) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -4.215 -10.089 -6.652 1.00 0.00 N ATOM 266 CA GLU A 20 -5.028 -10.016 -5.444 1.00 0.00 C ATOM 267 C GLU A 20 -4.920 -8.637 -4.799 1.00 0.00 C ATOM 268 O GLU A 20 -5.920 -8.061 -4.368 1.00 0.00 O ATOM 269 CB GLU A 20 -4.596 -11.092 -4.446 1.00 0.00 C ATOM 270 CG GLU A 20 -5.004 -12.498 -4.852 1.00 0.00 C ATOM 271 CD GLU A 20 -4.420 -13.561 -3.941 1.00 0.00 C ATOM 272 OE1 GLU A 20 -3.178 -13.652 -3.857 1.00 0.00 O ATOM 273 OE2 GLU A 20 -5.206 -14.302 -3.314 1.00 0.00 O ATOM 0 HA GLU A 20 -6.067 -10.187 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.513 -11.056 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.027 -10.865 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.091 -12.574 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.681 -12.685 -5.876 1.00 0.00 H new ATOM 280 N THR A 21 -3.701 -8.112 -4.738 1.00 0.00 N ATOM 281 CA THR A 21 -3.461 -6.802 -4.146 1.00 0.00 C ATOM 282 C THR A 21 -3.609 -5.694 -5.182 1.00 0.00 C ATOM 283 O THR A 21 -3.390 -5.895 -6.377 1.00 0.00 O ATOM 284 CB THR A 21 -2.057 -6.718 -3.517 1.00 0.00 C ATOM 285 OG1 THR A 21 -1.092 -6.380 -4.518 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.677 -8.038 -2.864 1.00 0.00 C ATOM 0 H THR A 21 -2.863 -8.574 -5.092 1.00 0.00 H new ATOM 0 HA THR A 21 -4.209 -6.667 -3.365 1.00 0.00 H new ATOM 0 HB THR A 21 -2.072 -5.943 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.311 -5.968 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.682 -7.955 -2.427 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.398 -8.278 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.679 -8.829 -3.614 1.00 0.00 H new ATOM 294 N PRO A 22 -3.988 -4.494 -4.717 1.00 0.00 N ATOM 295 CA PRO A 22 -4.172 -3.330 -5.589 1.00 0.00 C ATOM 296 C PRO A 22 -2.850 -2.807 -6.144 1.00 0.00 C ATOM 297 O PRO A 22 -1.824 -2.844 -5.466 1.00 0.00 O ATOM 298 CB PRO A 22 -4.812 -2.292 -4.664 1.00 0.00 C ATOM 299 CG PRO A 22 -4.371 -2.681 -3.295 1.00 0.00 C ATOM 300 CD PRO A 22 -4.265 -4.182 -3.306 1.00 0.00 C ATOM 0 HA PRO A 22 -4.774 -3.568 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.484 -1.283 -4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.899 -2.303 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.413 -2.224 -3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.086 -2.346 -2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.466 -4.533 -2.653 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.187 -4.652 -2.964 1.00 0.00 H new ATOM 308 N SER A 23 -2.884 -2.320 -7.380 1.00 0.00 N ATOM 309 CA SER A 23 -1.689 -1.792 -8.027 1.00 0.00 C ATOM 310 C SER A 23 -0.934 -0.856 -7.091 1.00 0.00 C ATOM 311 O SER A 23 0.276 -0.993 -6.901 1.00 0.00 O ATOM 312 CB SER A 23 -2.064 -1.054 -9.314 1.00 0.00 C ATOM 313 OG SER A 23 -2.773 -1.901 -10.201 1.00 0.00 O ATOM 0 H SER A 23 -3.726 -2.280 -7.954 1.00 0.00 H new ATOM 0 HA SER A 23 -1.039 -2.631 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.674 -0.183 -9.073 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.161 -0.686 -9.802 1.00 0.00 H new ATOM 0 HG SER A 23 -3.002 -1.405 -11.014 1.00 0.00 H new ATOM 319 N CYS A 24 -1.654 0.096 -6.509 1.00 0.00 N ATOM 320 CA CYS A 24 -1.052 1.058 -5.591 1.00 0.00 C ATOM 321 C CYS A 24 -0.084 0.366 -4.637 1.00 0.00 C ATOM 322 O CYS A 24 0.893 0.964 -4.186 1.00 0.00 O ATOM 323 CB CYS A 24 -2.138 1.786 -4.798 1.00 0.00 C ATOM 324 SG CYS A 24 -3.102 0.710 -3.708 1.00 0.00 S ATOM 0 H CYS A 24 -2.655 0.223 -6.656 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.494 1.786 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.673 2.569 -4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.815 2.278 -5.496 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.505 1.388 -2.675 1.00 0.00 H new ATOM 330 N PHE A 25 -0.364 -0.897 -4.331 1.00 0.00 N ATOM 331 CA PHE A 25 0.480 -1.669 -3.426 1.00 0.00 C ATOM 332 C PHE A 25 1.909 -1.752 -3.956 1.00 0.00 C ATOM 333 O PHE A 25 2.140 -1.695 -5.164 1.00 0.00 O ATOM 334 CB PHE A 25 -0.090 -3.077 -3.241 1.00 0.00 C ATOM 335 CG PHE A 25 0.751 -3.952 -2.356 1.00 0.00 C ATOM 336 CD1 PHE A 25 0.819 -3.719 -0.991 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.473 -5.007 -2.887 1.00 0.00 C ATOM 338 CE1 PHE A 25 1.591 -4.522 -0.174 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.248 -5.814 -2.076 1.00 0.00 C ATOM 340 CZ PHE A 25 2.308 -5.570 -0.717 1.00 0.00 C ATOM 0 H PHE A 25 -1.168 -1.407 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 25 0.497 -1.162 -2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.092 -3.002 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.191 -3.551 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.262 -2.900 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.430 -5.202 -3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.634 -4.330 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.806 -6.634 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.914 -6.198 -0.081 1.00 0.00 H new ATOM 350 N LEU A 26 2.864 -1.888 -3.042 1.00 0.00 N ATOM 351 CA LEU A 26 4.272 -1.980 -3.415 1.00 0.00 C ATOM 352 C LEU A 26 5.060 -2.774 -2.378 1.00 0.00 C ATOM 353 O LEU A 26 4.696 -2.812 -1.202 1.00 0.00 O ATOM 354 CB LEU A 26 4.871 -0.580 -3.566 1.00 0.00 C ATOM 355 CG LEU A 26 4.152 0.542 -2.818 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.264 0.339 -1.315 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.717 1.898 -3.218 1.00 0.00 C ATOM 0 H LEU A 26 2.689 -1.937 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 26 4.337 -2.502 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.906 -0.611 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.891 -0.328 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 26 3.097 0.516 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.746 1.148 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.812 -0.614 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.315 0.338 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.193 2.685 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.779 1.935 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.584 2.046 -4.290 1.00 0.00 H new ATOM 369 N LYS A 27 6.141 -3.405 -2.821 1.00 0.00 N ATOM 370 CA LYS A 27 6.984 -4.195 -1.932 1.00 0.00 C ATOM 371 C LYS A 27 8.189 -3.386 -1.462 1.00 0.00 C ATOM 372 O LYS A 27 9.141 -3.177 -2.213 1.00 0.00 O ATOM 373 CB LYS A 27 7.455 -5.468 -2.639 1.00 0.00 C ATOM 374 CG LYS A 27 6.408 -6.567 -2.676 1.00 0.00 C ATOM 375 CD LYS A 27 6.984 -7.869 -3.206 1.00 0.00 C ATOM 376 CE LYS A 27 6.011 -9.025 -3.023 1.00 0.00 C ATOM 377 NZ LYS A 27 6.719 -10.326 -2.864 1.00 0.00 N ATOM 0 H LYS A 27 6.455 -3.385 -3.791 1.00 0.00 H new ATOM 0 HA LYS A 27 6.391 -4.470 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.745 -5.220 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.346 -5.844 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.010 -6.726 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.574 -6.255 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.224 -7.758 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.917 -8.092 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.389 -8.841 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.343 -9.077 -3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.022 -11.088 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.293 -10.514 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.337 -10.285 -2.029 1.00 0.00 H new ATOM 391 N VAL A 28 8.142 -2.935 -0.212 1.00 0.00 N ATOM 392 CA VAL A 28 9.231 -2.151 0.360 1.00 0.00 C ATOM 393 C VAL A 28 9.334 -2.370 1.864 1.00 0.00 C ATOM 394 O VAL A 28 8.497 -3.044 2.463 1.00 0.00 O ATOM 395 CB VAL A 28 9.045 -0.648 0.081 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.855 -0.399 -1.407 1.00 0.00 C ATOM 397 CG2 VAL A 28 7.869 -0.100 0.876 1.00 0.00 C ATOM 0 H VAL A 28 7.362 -3.099 0.424 1.00 0.00 H new ATOM 0 HA VAL A 28 10.151 -2.490 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 28 9.946 -0.124 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.725 0.669 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.731 -0.753 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.972 -0.934 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.752 0.963 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.959 -0.628 0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.052 -0.242 1.941 1.00 0.00 H new ATOM 407 N SER A 29 10.368 -1.794 2.470 1.00 0.00 N ATOM 408 CA SER A 29 10.583 -1.929 3.906 1.00 0.00 C ATOM 409 C SER A 29 9.717 -0.942 4.681 1.00 0.00 C ATOM 410 O SER A 29 9.096 -0.053 4.097 1.00 0.00 O ATOM 411 CB SER A 29 12.059 -1.705 4.245 1.00 0.00 C ATOM 412 OG SER A 29 12.832 -2.853 3.942 1.00 0.00 O ATOM 0 H SER A 29 11.069 -1.230 1.989 1.00 0.00 H new ATOM 0 HA SER A 29 10.299 -2.940 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.438 -0.850 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.160 -1.464 5.303 1.00 0.00 H new ATOM 0 HG SER A 29 13.771 -2.684 4.166 1.00 0.00 H new ATOM 418 N ARG A 30 9.680 -1.103 5.999 1.00 0.00 N ATOM 419 CA ARG A 30 8.889 -0.228 6.856 1.00 0.00 C ATOM 420 C ARG A 30 9.367 1.217 6.745 1.00 0.00 C ATOM 421 O ARG A 30 8.573 2.155 6.839 1.00 0.00 O ATOM 422 CB ARG A 30 8.968 -0.693 8.310 1.00 0.00 C ATOM 423 CG ARG A 30 10.390 -0.832 8.828 1.00 0.00 C ATOM 424 CD ARG A 30 10.462 -0.594 10.329 1.00 0.00 C ATOM 425 NE ARG A 30 9.759 -1.631 11.080 1.00 0.00 N ATOM 426 CZ ARG A 30 9.304 -1.461 12.316 1.00 0.00 C ATOM 427 NH1 ARG A 30 9.475 -0.302 12.936 1.00 0.00 N ATOM 428 NH2 ARG A 30 8.674 -2.452 12.935 1.00 0.00 N ATOM 0 H ARG A 30 10.189 -1.833 6.498 1.00 0.00 H new ATOM 0 HA ARG A 30 7.852 -0.277 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.429 0.015 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.461 -1.653 8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.766 -1.829 8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.037 -0.121 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.506 -0.564 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.031 0.379 10.563 1.00 0.00 H new ATOM 0 HE ARG A 30 9.609 -2.534 10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.957 0.463 12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.124 -0.175 13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.539 -3.345 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.325 -2.320 13.884 1.00 0.00 H new ATOM 442 N LEU A 31 10.669 1.390 6.545 1.00 0.00 N ATOM 443 CA LEU A 31 11.254 2.721 6.423 1.00 0.00 C ATOM 444 C LEU A 31 11.120 3.245 4.997 1.00 0.00 C ATOM 445 O LEU A 31 10.751 4.399 4.782 1.00 0.00 O ATOM 446 CB LEU A 31 12.728 2.690 6.831 1.00 0.00 C ATOM 447 CG LEU A 31 13.008 2.632 8.333 1.00 0.00 C ATOM 448 CD1 LEU A 31 13.090 1.189 8.805 1.00 0.00 C ATOM 449 CD2 LEU A 31 14.292 3.378 8.666 1.00 0.00 C ATOM 0 H LEU A 31 11.339 0.626 6.464 1.00 0.00 H new ATOM 0 HA LEU A 31 10.713 3.392 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.196 1.825 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.215 3.576 6.425 1.00 0.00 H new ATOM 0 HG LEU A 31 12.184 3.118 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.290 1.167 9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.145 0.685 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.894 0.678 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.475 3.326 9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.126 2.922 8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.195 4.421 8.365 1.00 0.00 H new ATOM 461 N GLU A 32 11.422 2.389 4.026 1.00 0.00 N ATOM 462 CA GLU A 32 11.333 2.767 2.621 1.00 0.00 C ATOM 463 C GLU A 32 9.970 3.375 2.305 1.00 0.00 C ATOM 464 O GLU A 32 9.875 4.386 1.610 1.00 0.00 O ATOM 465 CB GLU A 32 11.580 1.549 1.726 1.00 0.00 C ATOM 466 CG GLU A 32 13.042 1.148 1.635 1.00 0.00 C ATOM 467 CD GLU A 32 13.312 0.182 0.497 1.00 0.00 C ATOM 468 OE1 GLU A 32 12.547 0.202 -0.491 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.287 -0.591 0.592 1.00 0.00 O ATOM 0 H GLU A 32 11.730 1.430 4.187 1.00 0.00 H new ATOM 0 HA GLU A 32 12.100 3.516 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.004 0.706 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.208 1.763 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.652 2.041 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.349 0.690 2.576 1.00 0.00 H new ATOM 476 N ALA A 33 8.916 2.751 2.822 1.00 0.00 N ATOM 477 CA ALA A 33 7.558 3.231 2.597 1.00 0.00 C ATOM 478 C ALA A 33 7.379 4.645 3.138 1.00 0.00 C ATOM 479 O ALA A 33 6.653 5.453 2.560 1.00 0.00 O ATOM 480 CB ALA A 33 6.552 2.288 3.240 1.00 0.00 C ATOM 0 H ALA A 33 8.977 1.912 3.399 1.00 0.00 H new ATOM 0 HA ALA A 33 7.382 3.256 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.542 2.659 3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.655 1.294 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.737 2.235 4.313 1.00 0.00 H new ATOM 486 N GLN A 34 8.046 4.937 4.251 1.00 0.00 N ATOM 487 CA GLN A 34 7.958 6.254 4.869 1.00 0.00 C ATOM 488 C GLN A 34 8.586 7.319 3.975 1.00 0.00 C ATOM 489 O GLN A 34 7.944 8.312 3.628 1.00 0.00 O ATOM 490 CB GLN A 34 8.648 6.247 6.234 1.00 0.00 C ATOM 491 CG GLN A 34 8.172 7.353 7.162 1.00 0.00 C ATOM 492 CD GLN A 34 8.568 8.733 6.677 1.00 0.00 C ATOM 493 OE1 GLN A 34 7.813 9.392 5.960 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.756 9.180 7.064 1.00 0.00 N ATOM 0 H GLN A 34 8.652 4.280 4.742 1.00 0.00 H new ATOM 0 HA GLN A 34 6.903 6.494 5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.477 5.283 6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.724 6.344 6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.087 7.302 7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.585 7.190 8.157 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.350 8.601 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.075 10.102 6.767 1.00 0.00 H new ATOM 503 N LEU A 35 9.845 7.106 3.606 1.00 0.00 N ATOM 504 CA LEU A 35 10.560 8.047 2.751 1.00 0.00 C ATOM 505 C LEU A 35 9.894 8.156 1.383 1.00 0.00 C ATOM 506 O LEU A 35 9.842 9.235 0.790 1.00 0.00 O ATOM 507 CB LEU A 35 12.017 7.613 2.588 1.00 0.00 C ATOM 508 CG LEU A 35 12.311 6.678 1.413 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.377 7.463 0.112 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.610 5.920 1.647 1.00 0.00 C ATOM 0 H LEU A 35 10.391 6.291 3.885 1.00 0.00 H new ATOM 0 HA LEU A 35 10.530 9.027 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.631 8.507 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.333 7.120 3.507 1.00 0.00 H new ATOM 0 HG LEU A 35 11.500 5.954 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.587 6.783 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.423 7.960 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.169 8.209 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.803 5.260 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.432 6.629 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.527 5.328 2.558 1.00 0.00 H new ATOM 522 N LEU A 36 9.383 7.035 0.889 1.00 0.00 N ATOM 523 CA LEU A 36 8.718 7.003 -0.409 1.00 0.00 C ATOM 524 C LEU A 36 7.723 8.152 -0.538 1.00 0.00 C ATOM 525 O LEU A 36 7.418 8.604 -1.643 1.00 0.00 O ATOM 526 CB LEU A 36 8.000 5.668 -0.605 1.00 0.00 C ATOM 527 CG LEU A 36 8.817 4.557 -1.266 1.00 0.00 C ATOM 528 CD1 LEU A 36 7.934 3.361 -1.584 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.494 5.073 -2.529 1.00 0.00 C ATOM 0 H LEU A 36 9.416 6.135 1.368 1.00 0.00 H new ATOM 0 HA LEU A 36 9.478 7.115 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.663 5.313 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.108 5.843 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 36 9.590 4.236 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.533 2.581 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.496 2.977 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.139 3.666 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.071 4.270 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.737 5.421 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.159 5.898 -2.274 1.00 0.00 H new ATOM 541 N LEU A 37 7.220 8.623 0.598 1.00 0.00 N ATOM 542 CA LEU A 37 6.260 9.720 0.613 1.00 0.00 C ATOM 543 C LEU A 37 6.928 11.034 0.218 1.00 0.00 C ATOM 544 O LEU A 37 6.535 11.672 -0.757 1.00 0.00 O ATOM 545 CB LEU A 37 5.629 9.853 2.001 1.00 0.00 C ATOM 546 CG LEU A 37 4.852 8.636 2.505 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.497 8.800 3.974 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.596 8.424 1.671 1.00 0.00 C ATOM 0 H LEU A 37 7.462 8.262 1.521 1.00 0.00 H new ATOM 0 HA LEU A 37 5.480 9.497 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.419 10.076 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.956 10.710 1.991 1.00 0.00 H new ATOM 0 HG LEU A 37 5.486 7.755 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.944 7.924 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.410 8.903 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.881 9.690 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.055 7.554 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.959 9.305 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.874 8.260 0.630 1.00 0.00 H new ATOM 560 N GLU A 38 7.941 11.429 0.982 1.00 0.00 N ATOM 561 CA GLU A 38 8.665 12.665 0.710 1.00 0.00 C ATOM 562 C GLU A 38 9.230 12.664 -0.708 1.00 0.00 C ATOM 563 O GLU A 38 9.243 13.694 -1.382 1.00 0.00 O ATOM 564 CB GLU A 38 9.798 12.853 1.721 1.00 0.00 C ATOM 565 CG GLU A 38 10.820 11.729 1.706 1.00 0.00 C ATOM 566 CD GLU A 38 12.101 12.096 2.430 1.00 0.00 C ATOM 567 OE1 GLU A 38 12.763 13.067 2.009 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.442 11.412 3.418 1.00 0.00 O ATOM 0 H GLU A 38 8.279 10.912 1.794 1.00 0.00 H new ATOM 0 HA GLU A 38 7.963 13.494 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.305 13.796 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.372 12.932 2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.387 10.843 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.052 11.468 0.674 1.00 0.00 H new ATOM 575 N ARG A 39 9.695 11.501 -1.153 1.00 0.00 N ATOM 576 CA ARG A 39 10.263 11.367 -2.488 1.00 0.00 C ATOM 577 C ARG A 39 9.193 11.573 -3.557 1.00 0.00 C ATOM 578 O ARG A 39 9.387 12.335 -4.505 1.00 0.00 O ATOM 579 CB ARG A 39 10.906 9.988 -2.655 1.00 0.00 C ATOM 580 CG ARG A 39 12.373 9.948 -2.259 1.00 0.00 C ATOM 581 CD ARG A 39 13.053 8.686 -2.764 1.00 0.00 C ATOM 582 NE ARG A 39 14.491 8.701 -2.511 1.00 0.00 N ATOM 583 CZ ARG A 39 15.368 9.328 -3.287 1.00 0.00 C ATOM 584 NH1 ARG A 39 14.954 9.990 -4.360 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.660 9.296 -2.992 1.00 0.00 N ATOM 0 H ARG A 39 9.689 10.639 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 39 11.027 12.135 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.356 9.265 -2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.810 9.675 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.883 10.823 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.459 9.999 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.609 7.816 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.874 8.581 -3.834 1.00 0.00 H new ATOM 0 HE ARG A 39 14.841 8.202 -1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.961 10.018 -4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.629 10.471 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.983 8.789 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.332 9.778 -3.589 1.00 0.00 H new ATOM 599 N TYR A 40 8.065 10.890 -3.397 1.00 0.00 N ATOM 600 CA TYR A 40 6.966 10.996 -4.350 1.00 0.00 C ATOM 601 C TYR A 40 5.697 11.493 -3.663 1.00 0.00 C ATOM 602 O TYR A 40 4.747 10.742 -3.440 1.00 0.00 O ATOM 603 CB TYR A 40 6.705 9.642 -5.012 1.00 0.00 C ATOM 604 CG TYR A 40 7.963 8.941 -5.474 1.00 0.00 C ATOM 605 CD1 TYR A 40 8.737 8.204 -4.586 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.378 9.017 -6.797 1.00 0.00 C ATOM 607 CE1 TYR A 40 9.887 7.563 -5.003 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.526 8.378 -7.223 1.00 0.00 C ATOM 609 CZ TYR A 40 10.277 7.651 -6.323 1.00 0.00 C ATOM 610 OH TYR A 40 11.422 7.014 -6.743 1.00 0.00 O ATOM 0 H TYR A 40 7.887 10.257 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 40 7.250 11.718 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.178 8.998 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.045 9.786 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.434 8.131 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.793 9.585 -7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.478 6.996 -4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.834 8.447 -8.256 1.00 0.00 H new ATOM 0 HH TYR A 40 11.553 7.175 -7.701 1.00 0.00 H new ATOM 620 N PRO A 41 5.680 12.789 -3.320 1.00 0.00 N ATOM 621 CA PRO A 41 4.534 13.417 -2.656 1.00 0.00 C ATOM 622 C PRO A 41 3.326 13.544 -3.579 1.00 0.00 C ATOM 623 O PRO A 41 2.190 13.330 -3.160 1.00 0.00 O ATOM 624 CB PRO A 41 5.062 14.802 -2.271 1.00 0.00 C ATOM 625 CG PRO A 41 6.153 15.075 -3.248 1.00 0.00 C ATOM 626 CD PRO A 41 6.778 13.742 -3.556 1.00 0.00 C ATOM 0 HA PRO A 41 4.182 12.829 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.277 15.556 -2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.435 14.813 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.760 15.540 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.888 15.763 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.138 13.694 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.632 13.539 -2.910 1.00 0.00 H new ATOM 634 N GLU A 42 3.583 13.894 -4.836 1.00 0.00 N ATOM 635 CA GLU A 42 2.515 14.050 -5.816 1.00 0.00 C ATOM 636 C GLU A 42 1.837 12.713 -6.099 1.00 0.00 C ATOM 637 O GLU A 42 0.624 12.573 -5.938 1.00 0.00 O ATOM 638 CB GLU A 42 3.069 14.638 -7.116 1.00 0.00 C ATOM 639 CG GLU A 42 3.655 16.031 -6.953 1.00 0.00 C ATOM 640 CD GLU A 42 3.883 16.727 -8.280 1.00 0.00 C ATOM 641 OE1 GLU A 42 2.965 16.709 -9.127 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.981 17.291 -8.473 1.00 0.00 O ATOM 0 H GLU A 42 4.519 14.074 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 42 1.773 14.733 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.839 13.973 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.271 14.673 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.984 16.634 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.601 15.963 -6.416 1.00 0.00 H new ATOM 649 N CYS A 43 2.628 11.734 -6.523 1.00 0.00 N ATOM 650 CA CYS A 43 2.104 10.407 -6.831 1.00 0.00 C ATOM 651 C CYS A 43 0.953 10.047 -5.898 1.00 0.00 C ATOM 652 O CYS A 43 -0.128 9.668 -6.346 1.00 0.00 O ATOM 653 CB CYS A 43 3.214 9.360 -6.719 1.00 0.00 C ATOM 654 SG CYS A 43 4.385 9.377 -8.096 1.00 0.00 S ATOM 0 H CYS A 43 3.634 11.833 -6.661 1.00 0.00 H new ATOM 0 HA CYS A 43 1.728 10.420 -7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.760 9.523 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.761 8.371 -6.654 1.00 0.00 H new ATOM 0 HG CYS A 43 5.287 8.459 -7.910 1.00 0.00 H new ATOM 660 N GLY A 44 1.193 10.168 -4.595 1.00 0.00 N ATOM 661 CA GLY A 44 0.168 9.849 -3.619 1.00 0.00 C ATOM 662 C GLY A 44 0.700 9.847 -2.199 1.00 0.00 C ATOM 663 O GLY A 44 1.862 10.175 -1.965 1.00 0.00 O ATOM 0 H GLY A 44 2.079 10.481 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.643 10.573 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.254 8.870 -3.847 1.00 0.00 H new ATOM 667 N ASN A 45 -0.154 9.478 -1.250 1.00 0.00 N ATOM 668 CA ASN A 45 0.236 9.437 0.155 1.00 0.00 C ATOM 669 C ASN A 45 -0.177 8.114 0.795 1.00 0.00 C ATOM 670 O ASN A 45 0.570 7.533 1.583 1.00 0.00 O ATOM 671 CB ASN A 45 -0.396 10.604 0.915 1.00 0.00 C ATOM 672 CG ASN A 45 -0.317 10.424 2.418 1.00 0.00 C ATOM 673 OD1 ASN A 45 0.758 10.510 3.011 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.463 10.172 3.044 1.00 0.00 N ATOM 0 H ASN A 45 -1.120 9.203 -1.428 1.00 0.00 H new ATOM 0 HA ASN A 45 1.321 9.523 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.106 11.530 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.440 10.705 0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.474 10.042 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.331 10.109 2.513 1.00 0.00 H new ATOM 681 N LEU A 46 -1.372 7.645 0.452 1.00 0.00 N ATOM 682 CA LEU A 46 -1.885 6.391 0.992 1.00 0.00 C ATOM 683 C LEU A 46 -1.232 5.195 0.307 1.00 0.00 C ATOM 684 O LEU A 46 -1.693 4.737 -0.740 1.00 0.00 O ATOM 685 CB LEU A 46 -3.404 6.324 0.823 1.00 0.00 C ATOM 686 CG LEU A 46 -4.036 4.941 0.981 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.281 4.632 2.450 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.334 4.854 0.192 1.00 0.00 C ATOM 0 H LEU A 46 -2.003 8.114 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.642 6.355 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.860 6.995 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.657 6.706 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.344 4.198 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.731 3.644 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.334 4.652 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.954 5.379 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.770 3.863 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.033 5.606 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.130 5.031 -0.864 1.00 0.00 H new ATOM 700 N LEU A 47 -0.157 4.691 0.905 1.00 0.00 N ATOM 701 CA LEU A 47 0.558 3.546 0.354 1.00 0.00 C ATOM 702 C LEU A 47 0.349 2.306 1.217 1.00 0.00 C ATOM 703 O LEU A 47 -0.110 2.400 2.357 1.00 0.00 O ATOM 704 CB LEU A 47 2.052 3.859 0.243 1.00 0.00 C ATOM 705 CG LEU A 47 2.891 3.574 1.489 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.335 2.120 1.514 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.096 4.503 1.543 1.00 0.00 C ATOM 0 H LEU A 47 0.238 5.058 1.771 1.00 0.00 H new ATOM 0 HA LEU A 47 0.160 3.344 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.463 3.284 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.164 4.913 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 47 2.274 3.758 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.931 1.937 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.459 1.472 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.934 1.907 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.682 4.287 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.713 4.350 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.756 5.538 1.574 1.00 0.00 H new ATOM 719 N LEU A 48 0.690 1.145 0.669 1.00 0.00 N ATOM 720 CA LEU A 48 0.543 -0.114 1.391 1.00 0.00 C ATOM 721 C LEU A 48 1.833 -0.925 1.339 1.00 0.00 C ATOM 722 O LEU A 48 2.231 -1.411 0.280 1.00 0.00 O ATOM 723 CB LEU A 48 -0.609 -0.929 0.802 1.00 0.00 C ATOM 724 CG LEU A 48 -2.015 -0.522 1.247 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.551 0.595 0.365 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.952 -1.722 1.219 1.00 0.00 C ATOM 0 H LEU A 48 1.070 1.049 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 48 0.322 0.116 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.559 -0.859 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.456 -1.977 1.061 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.959 -0.154 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.552 0.872 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.893 1.461 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.592 0.254 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.948 -1.414 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.003 -2.120 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.577 -2.492 1.893 1.00 0.00 H new ATOM 738 N ARG A 49 2.482 -1.071 2.491 1.00 0.00 N ATOM 739 CA ARG A 49 3.726 -1.825 2.576 1.00 0.00 C ATOM 740 C ARG A 49 3.498 -3.175 3.249 1.00 0.00 C ATOM 741 O ARG A 49 2.691 -3.310 4.168 1.00 0.00 O ATOM 742 CB ARG A 49 4.778 -1.028 3.351 1.00 0.00 C ATOM 743 CG ARG A 49 4.537 -1.001 4.852 1.00 0.00 C ATOM 744 CD ARG A 49 5.229 -2.162 5.548 1.00 0.00 C ATOM 745 NE ARG A 49 5.134 -2.064 7.002 1.00 0.00 N ATOM 746 CZ ARG A 49 5.741 -2.901 7.836 1.00 0.00 C ATOM 747 NH1 ARG A 49 6.481 -3.894 7.362 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.608 -2.747 9.148 1.00 0.00 N ATOM 0 H ARG A 49 2.166 -0.677 3.377 1.00 0.00 H new ATOM 0 HA ARG A 49 4.086 -2.000 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.762 -1.456 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.796 -0.005 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.901 -0.060 5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.466 -1.042 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.783 -3.100 5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.278 -2.187 5.254 1.00 0.00 H new ATOM 0 HE ARG A 49 4.571 -1.312 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.585 -4.017 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.946 -4.535 8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.039 -1.985 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.075 -3.391 9.787 1.00 0.00 H new ATOM 762 N PRO A 50 4.226 -4.200 2.781 1.00 0.00 N ATOM 763 CA PRO A 50 4.121 -5.559 3.322 1.00 0.00 C ATOM 764 C PRO A 50 4.694 -5.667 4.731 1.00 0.00 C ATOM 765 O PRO A 50 5.737 -5.087 5.033 1.00 0.00 O ATOM 766 CB PRO A 50 4.947 -6.396 2.343 1.00 0.00 C ATOM 767 CG PRO A 50 5.919 -5.435 1.750 1.00 0.00 C ATOM 768 CD PRO A 50 5.208 -4.112 1.688 1.00 0.00 C ATOM 0 HA PRO A 50 3.084 -5.883 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.458 -7.212 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.316 -6.845 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.820 -5.366 2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.230 -5.758 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.896 -3.279 1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.723 -3.961 0.723 1.00 0.00 H new ATOM 776 N SER A 51 4.007 -6.414 5.589 1.00 0.00 N ATOM 777 CA SER A 51 4.447 -6.595 6.968 1.00 0.00 C ATOM 778 C SER A 51 5.843 -7.206 7.016 1.00 0.00 C ATOM 779 O SER A 51 6.217 -7.998 6.151 1.00 0.00 O ATOM 780 CB SER A 51 3.461 -7.486 7.727 1.00 0.00 C ATOM 781 OG SER A 51 3.616 -8.846 7.359 1.00 0.00 O ATOM 0 H SER A 51 3.144 -6.904 5.354 1.00 0.00 H new ATOM 0 HA SER A 51 4.482 -5.615 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.618 -7.376 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.441 -7.164 7.520 1.00 0.00 H new ATOM 0 HG SER A 51 2.919 -9.092 6.715 1.00 0.00 H new ATOM 835 N GLY A 57 0.211 -10.659 6.575 1.00 0.00 N ATOM 836 CA GLY A 57 -0.526 -9.418 6.724 1.00 0.00 C ATOM 837 C GLY A 57 0.159 -8.251 6.042 1.00 0.00 C ATOM 838 O GLY A 57 1.353 -8.309 5.745 1.00 0.00 O ATOM 0 HA2 GLY A 57 -1.526 -9.541 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.646 -9.196 7.784 1.00 0.00 H new ATOM 842 N VAL A 58 -0.596 -7.186 5.791 1.00 0.00 N ATOM 843 CA VAL A 58 -0.054 -6.000 5.140 1.00 0.00 C ATOM 844 C VAL A 58 -0.288 -4.753 5.986 1.00 0.00 C ATOM 845 O VAL A 58 -1.305 -4.635 6.668 1.00 0.00 O ATOM 846 CB VAL A 58 -0.682 -5.788 3.749 1.00 0.00 C ATOM 847 CG1 VAL A 58 -0.197 -4.482 3.138 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.364 -6.963 2.837 1.00 0.00 C ATOM 0 H VAL A 58 -1.586 -7.121 6.029 1.00 0.00 H new ATOM 0 HA VAL A 58 1.018 -6.163 5.027 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.764 -5.728 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.651 -4.349 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.480 -3.651 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.888 -4.509 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.815 -6.797 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.716 -7.056 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.765 -7.879 3.271 1.00 0.00 H new ATOM 858 N SER A 59 0.663 -3.825 5.936 1.00 0.00 N ATOM 859 CA SER A 59 0.563 -2.587 6.700 1.00 0.00 C ATOM 860 C SER A 59 0.146 -1.426 5.803 1.00 0.00 C ATOM 861 O SER A 59 0.493 -1.383 4.623 1.00 0.00 O ATOM 862 CB SER A 59 1.899 -2.271 7.375 1.00 0.00 C ATOM 863 OG SER A 59 2.022 -2.956 8.609 1.00 0.00 O ATOM 0 H SER A 59 1.511 -3.907 5.375 1.00 0.00 H new ATOM 0 HA SER A 59 -0.200 -2.723 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.719 -2.554 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.980 -1.197 7.542 1.00 0.00 H new ATOM 0 HG SER A 59 2.885 -2.738 9.019 1.00 0.00 H new ATOM 869 N VAL A 60 -0.603 -0.486 6.371 1.00 0.00 N ATOM 870 CA VAL A 60 -1.067 0.676 5.625 1.00 0.00 C ATOM 871 C VAL A 60 -0.443 1.960 6.161 1.00 0.00 C ATOM 872 O VAL A 60 -0.740 2.389 7.276 1.00 0.00 O ATOM 873 CB VAL A 60 -2.601 0.802 5.680 1.00 0.00 C ATOM 874 CG1 VAL A 60 -3.061 2.052 4.944 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.259 -0.440 5.099 1.00 0.00 C ATOM 0 H VAL A 60 -0.901 -0.507 7.346 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.758 0.531 4.590 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.903 0.891 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.147 2.124 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.617 2.932 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.748 1.996 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.343 -0.333 5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.951 -0.563 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.955 -1.315 5.673 1.00 0.00 H new ATOM 885 N THR A 61 0.425 2.569 5.360 1.00 0.00 N ATOM 886 CA THR A 61 1.092 3.804 5.754 1.00 0.00 C ATOM 887 C THR A 61 0.452 5.013 5.084 1.00 0.00 C ATOM 888 O THR A 61 0.267 5.038 3.867 1.00 0.00 O ATOM 889 CB THR A 61 2.591 3.770 5.401 1.00 0.00 C ATOM 890 OG1 THR A 61 3.177 2.550 5.870 1.00 0.00 O ATOM 891 CG2 THR A 61 3.319 4.957 6.013 1.00 0.00 C ATOM 0 H THR A 61 0.683 2.227 4.434 1.00 0.00 H new ATOM 0 HA THR A 61 0.982 3.891 6.835 1.00 0.00 H new ATOM 0 HB THR A 61 2.688 3.826 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.130 2.535 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.376 4.911 5.750 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.890 5.883 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.214 4.929 7.098 1.00 0.00 H new ATOM 899 N THR A 62 0.113 6.019 5.886 1.00 0.00 N ATOM 900 CA THR A 62 -0.509 7.232 5.370 1.00 0.00 C ATOM 901 C THR A 62 0.018 8.468 6.090 1.00 0.00 C ATOM 902 O THR A 62 0.129 8.483 7.316 1.00 0.00 O ATOM 903 CB THR A 62 -2.042 7.183 5.512 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.403 7.125 6.897 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.614 5.977 4.783 1.00 0.00 C ATOM 0 H THR A 62 0.259 6.017 6.895 1.00 0.00 H new ATOM 0 HA THR A 62 -0.252 7.293 4.312 1.00 0.00 H new ATOM 0 HB THR A 62 -2.456 8.087 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.379 7.096 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.698 5.963 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.361 6.038 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.193 5.064 5.204 1.00 0.00 H new ATOM 913 N ARG A 63 0.341 9.503 5.321 1.00 0.00 N ATOM 914 CA ARG A 63 0.856 10.744 5.887 1.00 0.00 C ATOM 915 C ARG A 63 0.030 11.938 5.419 1.00 0.00 C ATOM 916 O ARG A 63 0.252 12.472 4.333 1.00 0.00 O ATOM 917 CB ARG A 63 2.322 10.938 5.492 1.00 0.00 C ATOM 918 CG ARG A 63 2.919 12.243 5.995 1.00 0.00 C ATOM 919 CD ARG A 63 4.046 12.722 5.094 1.00 0.00 C ATOM 920 NE ARG A 63 5.331 12.133 5.464 1.00 0.00 N ATOM 921 CZ ARG A 63 6.455 12.339 4.787 1.00 0.00 C ATOM 922 NH1 ARG A 63 6.454 13.117 3.713 1.00 0.00 N ATOM 923 NH2 ARG A 63 7.584 11.768 5.186 1.00 0.00 N ATOM 0 H ARG A 63 0.255 9.507 4.305 1.00 0.00 H new ATOM 0 HA ARG A 63 0.784 10.678 6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.908 10.106 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.405 10.905 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.141 13.005 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.295 12.106 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.816 12.468 4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.116 13.808 5.148 1.00 0.00 H new ATOM 0 HE ARG A 63 5.367 11.531 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.588 13.559 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.319 13.273 3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.589 11.171 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.447 11.926 4.666 1.00 0.00 H new ATOM 937 N GLN A 64 -0.924 12.351 6.247 1.00 0.00 N ATOM 938 CA GLN A 64 -1.784 13.483 5.919 1.00 0.00 C ATOM 939 C GLN A 64 -1.278 14.762 6.578 1.00 0.00 C ATOM 940 O GLN A 64 -0.650 14.719 7.635 1.00 0.00 O ATOM 941 CB GLN A 64 -3.222 13.202 6.360 1.00 0.00 C ATOM 942 CG GLN A 64 -3.863 12.031 5.633 1.00 0.00 C ATOM 943 CD GLN A 64 -4.900 11.317 6.478 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.499 11.908 7.377 1.00 0.00 O ATOM 945 NE2 GLN A 64 -5.118 10.038 6.193 1.00 0.00 N ATOM 0 H GLN A 64 -1.121 11.919 7.150 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.763 13.621 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.232 13.003 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.825 14.095 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.331 12.390 4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.088 11.322 5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.599 9.588 5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.805 9.506 6.728 1.00 0.00 H new ATOM 954 N MET A 65 -1.554 15.897 5.944 1.00 0.00 N ATOM 955 CA MET A 65 -1.127 17.187 6.470 1.00 0.00 C ATOM 956 C MET A 65 -2.006 17.616 7.641 1.00 0.00 C ATOM 957 O MET A 65 -3.162 17.996 7.455 1.00 0.00 O ATOM 958 CB MET A 65 -1.170 18.250 5.370 1.00 0.00 C ATOM 959 CG MET A 65 -0.302 19.463 5.663 1.00 0.00 C ATOM 960 SD MET A 65 1.452 19.057 5.757 1.00 0.00 S ATOM 961 CE MET A 65 2.101 20.535 6.536 1.00 0.00 C ATOM 0 H MET A 65 -2.071 15.949 5.066 1.00 0.00 H new ATOM 0 HA MET A 65 -0.102 17.084 6.827 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.848 17.802 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.201 18.576 5.231 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.456 20.211 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.618 19.912 6.605 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.884 20.962 5.910 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.299 21.262 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.515 20.280 7.511 1.00 0.00 H new ATOM 971 N HIS A 66 -1.451 17.551 8.847 1.00 0.00 N ATOM 972 CA HIS A 66 -2.185 17.932 10.048 1.00 0.00 C ATOM 973 C HIS A 66 -1.314 18.779 10.971 1.00 0.00 C ATOM 974 O HIS A 66 -0.094 18.631 10.997 1.00 0.00 O ATOM 975 CB HIS A 66 -2.674 16.687 10.789 1.00 0.00 C ATOM 976 CG HIS A 66 -2.926 16.918 12.248 1.00 0.00 C ATOM 977 ND1 HIS A 66 -2.010 16.601 13.229 1.00 0.00 N ATOM 978 CD2 HIS A 66 -3.997 17.440 12.890 1.00 0.00 C ATOM 979 CE1 HIS A 66 -2.508 16.917 14.411 1.00 0.00 C ATOM 980 NE2 HIS A 66 -3.712 17.429 14.232 1.00 0.00 N ATOM 0 H HIS A 66 -0.495 17.238 9.018 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.047 18.526 9.744 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.593 16.334 10.322 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.934 15.894 10.678 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.907 17.798 12.431 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.015 16.780 15.362 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.330 17.762 14.972 1.00 0.00 H new ATOM 989 N ASN A 67 -1.952 19.667 11.728 1.00 0.00 N ATOM 990 CA ASN A 67 -1.234 20.538 12.652 1.00 0.00 C ATOM 991 C ASN A 67 -0.019 21.166 11.975 1.00 0.00 C ATOM 992 O ASN A 67 1.001 21.415 12.616 1.00 0.00 O ATOM 993 CB ASN A 67 -0.795 19.753 13.889 1.00 0.00 C ATOM 994 CG ASN A 67 -1.839 19.776 14.989 1.00 0.00 C ATOM 995 OD1 ASN A 67 -2.967 20.222 14.780 1.00 0.00 O ATOM 996 ND2 ASN A 67 -1.466 19.293 16.169 1.00 0.00 N ATOM 0 H ASN A 67 -2.963 19.802 11.720 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.909 21.337 12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.591 18.720 13.607 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.138 20.170 14.268 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.125 19.282 16.947 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.520 18.933 16.297 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.138 21.420 10.676 1.00 0.00 N ATOM 1004 CA GLY A 68 0.958 22.016 9.933 1.00 0.00 C ATOM 1005 C GLY A 68 2.278 21.312 10.182 1.00 0.00 C ATOM 1006 O GLY A 68 3.339 21.937 10.152 1.00 0.00 O ATOM 0 H GLY A 68 -0.973 21.224 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.729 21.986 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.052 23.066 10.210 1.00 0.00 H new ATOM 1010 N THR A 69 2.214 20.008 10.432 1.00 0.00 N ATOM 1011 CA THR A 69 3.412 19.220 10.691 1.00 0.00 C ATOM 1012 C THR A 69 3.322 17.849 10.029 1.00 0.00 C ATOM 1013 O THR A 69 2.289 17.183 10.099 1.00 0.00 O ATOM 1014 CB THR A 69 3.647 19.034 12.202 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.928 18.435 12.429 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.560 18.165 12.815 1.00 0.00 C ATOM 0 H THR A 69 1.345 19.475 10.461 1.00 0.00 H new ATOM 0 HA THR A 69 4.251 19.771 10.266 1.00 0.00 H new ATOM 0 HB THR A 69 3.616 20.015 12.676 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.070 18.322 13.392 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.747 18.048 13.882 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.589 18.638 12.666 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.564 17.186 12.336 1.00 0.00 H new ATOM 1024 N HIS A 70 4.410 17.434 9.390 1.00 0.00 N ATOM 1025 CA HIS A 70 4.454 16.141 8.717 1.00 0.00 C ATOM 1026 C HIS A 70 4.348 15.000 9.724 1.00 0.00 C ATOM 1027 O HIS A 70 5.229 14.817 10.564 1.00 0.00 O ATOM 1028 CB HIS A 70 5.745 16.005 7.909 1.00 0.00 C ATOM 1029 CG HIS A 70 5.823 16.941 6.743 1.00 0.00 C ATOM 1030 ND1 HIS A 70 5.628 18.303 6.855 1.00 0.00 N ATOM 1031 CD2 HIS A 70 6.078 16.707 5.434 1.00 0.00 C ATOM 1032 CE1 HIS A 70 5.758 18.863 5.666 1.00 0.00 C ATOM 1033 NE2 HIS A 70 6.031 17.917 4.786 1.00 0.00 N ATOM 0 H HIS A 70 5.273 17.974 9.324 1.00 0.00 H new ATOM 0 HA HIS A 70 3.603 16.084 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 70 6.596 16.185 8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.832 14.980 7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.281 15.747 4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.658 19.916 5.450 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.182 18.061 3.788 1.00 0.00 H new ATOM 1042 N VAL A 71 3.264 14.236 9.635 1.00 0.00 N ATOM 1043 CA VAL A 71 3.044 13.114 10.539 1.00 0.00 C ATOM 1044 C VAL A 71 2.651 11.857 9.769 1.00 0.00 C ATOM 1045 O VAL A 71 1.804 11.901 8.878 1.00 0.00 O ATOM 1046 CB VAL A 71 1.946 13.432 11.573 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.687 12.227 12.464 1.00 0.00 C ATOM 1048 CG2 VAL A 71 2.333 14.646 12.402 1.00 0.00 C ATOM 0 H VAL A 71 2.525 14.374 8.946 1.00 0.00 H new ATOM 0 HA VAL A 71 3.985 12.939 11.061 1.00 0.00 H new ATOM 0 HB VAL A 71 1.024 13.664 11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.909 12.470 13.188 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.363 11.385 11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.603 11.961 12.992 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.547 14.857 13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.267 14.445 12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.463 15.507 11.747 1.00 0.00 H new ATOM 1058 N VAL A 72 3.274 10.736 10.120 1.00 0.00 N ATOM 1059 CA VAL A 72 2.990 9.466 9.463 1.00 0.00 C ATOM 1060 C VAL A 72 2.342 8.481 10.429 1.00 0.00 C ATOM 1061 O VAL A 72 2.823 8.281 11.544 1.00 0.00 O ATOM 1062 CB VAL A 72 4.270 8.834 8.885 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.961 7.487 8.251 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.919 9.771 7.877 1.00 0.00 C ATOM 0 H VAL A 72 3.979 10.682 10.856 1.00 0.00 H new ATOM 0 HA VAL A 72 2.299 9.679 8.647 1.00 0.00 H new ATOM 0 HB VAL A 72 4.974 8.671 9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.877 7.056 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.545 6.817 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.239 7.621 7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.822 9.308 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.222 9.968 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.178 10.710 8.367 1.00 0.00 H new ATOM 1074 N ARG A 73 1.246 7.867 9.993 1.00 0.00 N ATOM 1075 CA ARG A 73 0.531 6.902 10.820 1.00 0.00 C ATOM 1076 C ARG A 73 0.674 5.492 10.256 1.00 0.00 C ATOM 1077 O ARG A 73 1.211 5.299 9.166 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.949 7.279 10.912 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.261 8.252 12.037 1.00 0.00 C ATOM 1080 CD ARG A 73 -0.930 7.658 13.397 1.00 0.00 C ATOM 1081 NE ARG A 73 -1.683 8.299 14.472 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.936 7.985 14.781 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.573 7.043 14.100 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.552 8.613 15.773 1.00 0.00 N ATOM 0 H ARG A 73 0.834 8.021 9.072 1.00 0.00 H new ATOM 0 HA ARG A 73 0.967 6.920 11.819 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.263 7.719 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.538 6.373 11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.693 9.171 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.317 8.521 12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.148 6.590 13.389 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.138 7.764 13.589 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.221 9.028 15.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.101 6.558 13.337 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.535 6.803 14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.064 9.338 16.299 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.514 8.372 16.010 1.00 0.00 H new ATOM 1098 N HIS A 74 0.191 4.508 11.009 1.00 0.00 N ATOM 1099 CA HIS A 74 0.266 3.115 10.585 1.00 0.00 C ATOM 1100 C HIS A 74 -0.971 2.342 11.035 1.00 0.00 C ATOM 1101 O HIS A 74 -1.560 2.646 12.073 1.00 0.00 O ATOM 1102 CB HIS A 74 1.525 2.455 11.147 1.00 0.00 C ATOM 1103 CG HIS A 74 1.613 2.508 12.642 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.657 1.380 13.433 1.00 0.00 N ATOM 1105 CD2 HIS A 74 1.666 3.562 13.488 1.00 0.00 C ATOM 1106 CE1 HIS A 74 1.732 1.738 14.703 1.00 0.00 C ATOM 1107 NE2 HIS A 74 1.740 3.058 14.764 1.00 0.00 N ATOM 0 H HIS A 74 -0.256 4.650 11.915 1.00 0.00 H new ATOM 0 HA HIS A 74 0.310 3.095 9.496 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.553 1.414 10.826 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.402 2.943 10.722 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.653 4.606 13.212 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.779 1.066 15.547 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.793 3.612 15.619 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.360 1.346 10.247 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.529 0.534 10.563 1.00 0.00 C ATOM 1118 C TYR A 75 -2.256 -0.942 10.289 1.00 0.00 C ATOM 1119 O TYR A 75 -1.437 -1.287 9.437 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.736 1.001 9.747 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.078 2.459 9.953 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.396 3.456 9.268 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.086 2.838 10.831 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -3.705 4.790 9.454 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.403 4.170 11.022 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.709 5.141 10.332 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.021 6.469 10.518 1.00 0.00 O ATOM 0 H TYR A 75 -0.883 1.082 9.385 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.748 0.654 11.624 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.537 0.829 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.601 0.393 10.012 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.611 3.184 8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.631 2.079 11.373 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.163 5.553 8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.190 4.448 11.708 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.751 6.546 11.167 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.949 -1.810 11.019 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.785 -3.250 10.856 1.00 0.00 C ATOM 1139 C LYS A 76 -4.061 -3.885 10.312 1.00 0.00 C ATOM 1140 O LYS A 76 -5.166 -3.425 10.601 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.411 -3.896 12.192 1.00 0.00 C ATOM 1142 CG LYS A 76 -2.132 -5.384 12.090 1.00 0.00 C ATOM 1143 CD LYS A 76 -1.446 -5.909 13.341 1.00 0.00 C ATOM 1144 CE LYS A 76 -2.458 -6.334 14.395 1.00 0.00 C ATOM 1145 NZ LYS A 76 -3.277 -7.493 13.943 1.00 0.00 N ATOM 0 H LYS A 76 -3.630 -1.541 11.729 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.981 -3.420 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.530 -3.396 12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.221 -3.735 12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.068 -5.921 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.504 -5.579 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.812 -6.757 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.794 -5.137 13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.936 -6.595 15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.114 -5.495 14.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.630 -8.013 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.082 -7.151 13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.692 -8.126 13.361 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.902 -4.943 9.525 1.00 0.00 N ATOM 1160 CA VAL A 77 -5.041 -5.642 8.943 1.00 0.00 C ATOM 1161 C VAL A 77 -4.955 -7.142 9.201 1.00 0.00 C ATOM 1162 O VAL A 77 -4.168 -7.849 8.570 1.00 0.00 O ATOM 1163 CB VAL A 77 -5.133 -5.398 7.425 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.294 -6.180 6.829 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.274 -3.912 7.133 1.00 0.00 C ATOM 0 H VAL A 77 -2.994 -5.336 9.275 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.935 -5.244 9.422 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.212 -5.750 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.344 -5.996 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.145 -7.245 7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.226 -5.860 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.338 -3.757 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.178 -3.532 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.407 -3.380 7.525 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.770 -7.625 10.134 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.789 -9.042 10.476 1.00 0.00 C ATOM 1177 C LYS A 78 -6.369 -9.869 9.333 1.00 0.00 C ATOM 1178 O LYS A 78 -7.154 -9.368 8.527 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.606 -9.269 11.750 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.228 -10.536 12.497 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.893 -10.599 13.861 1.00 0.00 C ATOM 1182 CE LYS A 78 -8.256 -11.271 13.787 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.152 -12.751 13.905 1.00 0.00 N ATOM 0 H LYS A 78 -6.426 -7.054 10.667 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.762 -9.363 10.649 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.475 -8.414 12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.664 -9.312 11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.519 -11.406 11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.145 -10.579 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.254 -11.146 14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.005 -9.591 14.259 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.894 -10.887 14.583 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.736 -11.015 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.907 -13.198 13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.226 -13.063 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.250 -13.027 14.903 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.979 -11.139 9.270 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.460 -12.035 8.226 1.00 0.00 C ATOM 1199 C ARG A 79 -7.333 -13.139 8.818 1.00 0.00 C ATOM 1200 O ARG A 79 -6.836 -14.041 9.491 1.00 0.00 O ATOM 1201 CB ARG A 79 -5.282 -12.651 7.470 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.670 -13.268 6.136 1.00 0.00 C ATOM 1203 CD ARG A 79 -6.175 -14.692 6.306 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.090 -15.668 6.257 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.606 -16.171 5.127 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.108 -15.793 3.959 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -3.617 -17.055 5.164 1.00 0.00 N ATOM 0 H ARG A 79 -5.331 -11.570 9.930 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.063 -11.452 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.529 -11.882 7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.821 -13.416 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.443 -12.661 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.809 -13.264 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.698 -14.780 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.899 -14.916 5.523 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.682 -15.980 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.868 -15.114 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.734 -16.181 3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.228 -17.348 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.245 -17.441 4.296 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.634 -13.059 8.561 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.575 -14.050 9.070 1.00 0.00 C ATOM 1223 C GLU A 80 -10.403 -14.647 7.934 1.00 0.00 C ATOM 1224 O GLU A 80 -11.368 -14.041 7.471 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.499 -13.421 10.113 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.339 -14.434 10.873 1.00 0.00 C ATOM 1227 CD GLU A 80 -10.519 -15.265 11.840 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -9.801 -14.671 12.671 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -10.596 -16.509 11.766 1.00 0.00 O ATOM 0 H GLU A 80 -9.061 -12.319 8.004 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.002 -14.850 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.898 -12.854 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.161 -12.711 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.122 -13.912 11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.835 -15.095 10.162 1.00 0.00 H new ATOM 1236 N GLY A 81 -10.017 -15.840 7.491 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.733 -16.498 6.415 1.00 0.00 C ATOM 1238 C GLY A 81 -10.477 -15.851 5.068 1.00 0.00 C ATOM 1239 O GLY A 81 -9.467 -15.179 4.860 1.00 0.00 O ATOM 0 H GLY A 81 -9.221 -16.362 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.437 -17.546 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.802 -16.477 6.628 1.00 0.00 H new ATOM 1243 N PRO A 82 -11.408 -16.055 4.124 1.00 0.00 N ATOM 1244 CA PRO A 82 -11.299 -15.496 2.773 1.00 0.00 C ATOM 1245 C PRO A 82 -11.473 -13.981 2.756 1.00 0.00 C ATOM 1246 O PRO A 82 -11.376 -13.345 1.707 1.00 0.00 O ATOM 1247 CB PRO A 82 -12.444 -16.174 2.016 1.00 0.00 C ATOM 1248 CG PRO A 82 -13.436 -16.528 3.068 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.637 -16.845 4.302 1.00 0.00 C ATOM 0 HA PRO A 82 -10.316 -15.674 2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.877 -15.505 1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.097 -17.060 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.123 -15.702 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.039 -17.383 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.170 -16.561 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.422 -17.911 4.379 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.730 -13.407 3.927 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.916 -11.966 4.048 1.00 0.00 C ATOM 1259 C LYS A 83 -10.919 -11.371 5.037 1.00 0.00 C ATOM 1260 O LYS A 83 -10.276 -12.095 5.798 1.00 0.00 O ATOM 1261 CB LYS A 83 -13.345 -11.651 4.497 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.785 -12.435 5.721 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.321 -11.771 7.006 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.169 -12.199 8.194 1.00 0.00 C ATOM 1265 NZ LYS A 83 -14.092 -13.668 8.429 1.00 0.00 N ATOM 0 H LYS A 83 -11.814 -13.918 4.806 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.742 -11.519 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.423 -10.585 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.030 -11.862 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.872 -12.522 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.385 -13.447 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.278 -12.026 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.369 -10.688 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.836 -11.670 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.206 -11.912 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.252 -13.867 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.819 -14.149 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.151 -14.015 8.153 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.795 -10.049 5.023 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.876 -9.356 5.918 1.00 0.00 C ATOM 1281 C TYR A 84 -10.636 -8.483 6.912 1.00 0.00 C ATOM 1282 O TYR A 84 -11.782 -8.101 6.671 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.897 -8.499 5.114 1.00 0.00 C ATOM 1284 CG TYR A 84 -8.340 -9.198 3.895 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.935 -10.526 3.956 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -8.217 -8.531 2.681 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -7.424 -11.169 2.845 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -7.709 -9.167 1.566 1.00 0.00 C ATOM 1289 CZ TYR A 84 -7.314 -10.485 1.652 1.00 0.00 C ATOM 1290 OH TYR A 84 -6.805 -11.121 0.543 1.00 0.00 O ATOM 0 H TYR A 84 -11.320 -9.435 4.401 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.318 -10.108 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.401 -7.585 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.072 -8.202 5.761 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.021 -11.065 4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.524 -7.498 2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.112 -12.201 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.621 -8.634 0.631 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.796 -10.500 -0.215 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.990 -8.171 8.030 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.603 -7.342 9.062 1.00 0.00 C ATOM 1302 C VAL A 85 -9.645 -6.252 9.530 1.00 0.00 C ATOM 1303 O VAL A 85 -8.548 -6.539 10.011 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.037 -8.185 10.275 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.636 -7.298 11.355 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -12.025 -9.260 9.848 1.00 0.00 C ATOM 0 H VAL A 85 -9.042 -8.480 8.245 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.485 -6.881 8.617 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.156 -8.676 10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.937 -7.911 12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.894 -6.568 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.507 -6.778 10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.322 -9.847 10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.906 -8.791 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.556 -9.913 9.112 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.068 -5.000 9.390 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.249 -3.866 9.800 1.00 0.00 C ATOM 1318 C ILE A 86 -9.147 -3.785 11.320 1.00 0.00 C ATOM 1319 O ILE A 86 -10.027 -4.260 12.038 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.815 -2.538 9.263 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.978 -2.607 7.743 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.908 -1.380 9.652 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.820 -1.487 7.175 1.00 0.00 C ATOM 0 H ILE A 86 -10.974 -4.745 8.996 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.256 -4.024 9.378 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.796 -2.371 9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.992 -2.581 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.431 -3.562 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.321 -0.448 9.265 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.837 -1.322 10.738 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.915 -1.539 9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.893 -1.599 6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.818 -1.525 7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.357 -0.529 7.410 1.00 0.00 H new ATOM 1335 N ASP A 87 -8.070 -3.177 11.803 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.853 -3.029 13.237 1.00 0.00 C ATOM 1337 C ASP A 87 -8.440 -1.715 13.743 1.00 0.00 C ATOM 1338 O ASP A 87 -7.799 -0.988 14.501 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.359 -3.092 13.559 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.086 -3.666 14.934 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.801 -4.608 15.336 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.158 -3.175 15.611 1.00 0.00 O ATOM 0 H ASP A 87 -7.333 -2.778 11.222 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.360 -3.851 13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.854 -3.700 12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.934 -2.090 13.496 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.663 -1.417 13.317 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.338 -0.190 13.726 1.00 0.00 C ATOM 1349 C VAL A 88 -11.420 -0.478 14.760 1.00 0.00 C ATOM 1350 O VAL A 88 -11.593 -1.616 15.191 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.972 0.531 12.521 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.896 1.159 11.648 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.828 -0.434 11.715 1.00 0.00 C ATOM 0 H VAL A 88 -10.207 -2.008 12.689 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.580 0.457 14.168 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.615 1.329 12.893 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.363 1.664 10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.328 1.882 12.234 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.225 0.382 11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.269 0.091 10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.208 -1.254 11.352 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.622 -0.832 12.348 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.146 0.565 15.154 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.212 0.424 16.138 1.00 0.00 C ATOM 1365 C GLU A 89 -14.015 -0.850 15.892 1.00 0.00 C ATOM 1366 O GLU A 89 -14.237 -1.642 16.808 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.138 1.641 16.097 1.00 0.00 C ATOM 1368 CG GLU A 89 -14.227 2.292 14.727 1.00 0.00 C ATOM 1369 CD GLU A 89 -15.362 3.292 14.629 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -15.145 4.472 14.977 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -16.468 2.896 14.206 1.00 0.00 O ATOM 0 H GLU A 89 -12.015 1.515 14.807 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.754 0.358 17.125 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.137 1.338 16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.787 2.379 16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.285 2.794 14.506 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.362 1.520 13.970 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.448 -1.038 14.650 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.228 -2.215 14.284 1.00 0.00 C ATOM 1380 C GLN A 90 -14.517 -3.025 13.205 1.00 0.00 C ATOM 1381 O GLN A 90 -13.900 -2.479 12.289 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.617 -1.800 13.794 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.488 -1.191 14.881 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.755 -0.566 14.331 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -18.984 -0.561 13.121 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.587 -0.034 15.218 1.00 0.00 N ATOM 0 H GLN A 90 -14.272 -0.392 13.881 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.334 -2.840 15.171 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.507 -1.081 12.982 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.123 -2.672 13.380 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.752 -1.962 15.604 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.917 -0.433 15.417 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.358 -0.060 16.212 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.455 0.401 14.906 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.603 -4.359 13.312 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.974 -5.273 12.355 1.00 0.00 C ATOM 1397 C PRO A 91 -14.653 -5.241 10.991 1.00 0.00 C ATOM 1398 O PRO A 91 -15.623 -5.961 10.753 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.148 -6.646 13.008 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.342 -6.499 13.886 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.322 -5.077 14.378 1.00 0.00 C ATOM 0 HA PRO A 91 -12.935 -5.008 12.161 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.300 -7.424 12.260 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.265 -6.925 13.583 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.259 -6.709 13.336 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.303 -7.201 14.719 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.330 -4.686 14.518 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.811 -4.990 15.337 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.139 -4.403 10.097 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.697 -4.278 8.756 1.00 0.00 C ATOM 1411 C PHE A 92 -14.265 -5.447 7.876 1.00 0.00 C ATOM 1412 O PHE A 92 -13.087 -5.584 7.541 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.259 -2.957 8.121 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.379 -2.944 6.623 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.617 -2.812 6.015 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.254 -3.063 5.824 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.730 -2.799 4.637 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.361 -3.051 4.446 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.601 -2.920 3.852 1.00 0.00 C ATOM 0 H PHE A 92 -13.336 -3.800 10.277 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.784 -4.291 8.838 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.861 -2.147 8.533 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.224 -2.756 8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.504 -2.718 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.282 -3.166 6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.701 -2.694 4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.476 -3.144 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.687 -2.912 2.775 1.00 0.00 H new ATOM 1429 N SER A 93 -15.225 -6.286 7.503 1.00 0.00 N ATOM 1430 CA SER A 93 -14.944 -7.447 6.666 1.00 0.00 C ATOM 1431 C SER A 93 -15.005 -7.076 5.186 1.00 0.00 C ATOM 1432 O SER A 93 -15.950 -6.426 4.737 1.00 0.00 O ATOM 1433 CB SER A 93 -15.939 -8.569 6.962 1.00 0.00 C ATOM 1434 OG SER A 93 -17.275 -8.107 6.867 1.00 0.00 O ATOM 0 H SER A 93 -16.205 -6.184 7.767 1.00 0.00 H new ATOM 0 HA SER A 93 -13.937 -7.795 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.785 -9.390 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.758 -8.965 7.961 1.00 0.00 H new ATOM 0 HG SER A 93 -17.891 -8.845 7.059 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.991 -7.493 4.437 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.927 -7.205 3.008 1.00 0.00 C ATOM 1442 C CYS A 94 -13.659 -8.475 2.208 1.00 0.00 C ATOM 1443 O CYS A 94 -13.466 -9.551 2.777 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.839 -6.169 2.723 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.156 -6.778 2.978 1.00 0.00 S ATOM 0 H CYS A 94 -13.202 -8.031 4.795 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.892 -6.801 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.938 -5.828 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -13.001 -5.302 3.363 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.476 -6.649 1.877 1.00 0.00 H new ATOM 1451 N THR A 95 -13.649 -8.345 0.886 1.00 0.00 N ATOM 1452 CA THR A 95 -13.407 -9.483 0.007 1.00 0.00 C ATOM 1453 C THR A 95 -11.995 -9.446 -0.564 1.00 0.00 C ATOM 1454 O THR A 95 -11.317 -10.471 -0.637 1.00 0.00 O ATOM 1455 CB THR A 95 -14.418 -9.520 -1.154 1.00 0.00 C ATOM 1456 OG1 THR A 95 -14.140 -10.635 -2.009 1.00 0.00 O ATOM 1457 CG2 THR A 95 -14.364 -8.231 -1.961 1.00 0.00 C ATOM 0 H THR A 95 -13.806 -7.462 0.399 1.00 0.00 H new ATOM 0 HA THR A 95 -13.527 -10.382 0.612 1.00 0.00 H new ATOM 0 HB THR A 95 -15.418 -9.625 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.788 -10.653 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.087 -8.281 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.603 -7.387 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 95 -13.363 -8.101 -2.372 1.00 0.00 H new ATOM 1465 N SER A 96 -11.555 -8.258 -0.968 1.00 0.00 N ATOM 1466 CA SER A 96 -10.223 -8.088 -1.535 1.00 0.00 C ATOM 1467 C SER A 96 -9.507 -6.901 -0.897 1.00 0.00 C ATOM 1468 O SER A 96 -10.109 -6.124 -0.155 1.00 0.00 O ATOM 1469 CB SER A 96 -10.313 -7.890 -3.050 1.00 0.00 C ATOM 1470 OG SER A 96 -10.813 -9.052 -3.688 1.00 0.00 O ATOM 0 H SER A 96 -12.102 -7.399 -0.913 1.00 0.00 H new ATOM 0 HA SER A 96 -9.648 -8.990 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.962 -7.042 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.327 -7.649 -3.447 1.00 0.00 H new ATOM 0 HG SER A 96 -10.862 -8.899 -4.655 1.00 0.00 H new ATOM 1476 N LEU A 97 -8.218 -6.768 -1.190 1.00 0.00 N ATOM 1477 CA LEU A 97 -7.419 -5.677 -0.646 1.00 0.00 C ATOM 1478 C LEU A 97 -7.860 -4.337 -1.225 1.00 0.00 C ATOM 1479 O LEU A 97 -8.000 -3.351 -0.501 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.936 -5.910 -0.940 1.00 0.00 C ATOM 1481 CG LEU A 97 -5.165 -6.723 0.099 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.787 -7.093 -0.426 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -5.049 -5.949 1.405 1.00 0.00 C ATOM 0 H LEU A 97 -7.704 -7.403 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.570 -5.652 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.852 -6.415 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.451 -4.940 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.717 -7.643 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.254 -7.672 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.891 -7.688 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.227 -6.185 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.497 -6.544 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.521 -5.012 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.046 -5.736 1.792 1.00 0.00 H new ATOM 1495 N ASP A 98 -8.079 -4.308 -2.534 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.509 -3.090 -3.212 1.00 0.00 C ATOM 1497 C ASP A 98 -9.477 -2.296 -2.340 1.00 0.00 C ATOM 1498 O ASP A 98 -9.211 -1.148 -1.987 1.00 0.00 O ATOM 1499 CB ASP A 98 -9.169 -3.430 -4.550 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.958 -4.722 -4.494 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -11.058 -4.721 -3.902 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -9.477 -5.735 -5.042 1.00 0.00 O ATOM 0 H ASP A 98 -7.966 -5.114 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.627 -2.476 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.832 -2.615 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.402 -3.509 -5.320 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.602 -2.916 -1.998 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.610 -2.268 -1.168 1.00 0.00 C ATOM 1509 C ALA A 99 -10.968 -1.564 0.023 1.00 0.00 C ATOM 1510 O ALA A 99 -11.115 -0.354 0.195 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.636 -3.286 -0.693 1.00 0.00 C ATOM 0 H ALA A 99 -10.838 -3.866 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.116 -1.515 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.383 -2.788 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.124 -3.741 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.138 -4.059 -0.109 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.257 -2.329 0.845 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.593 -1.779 2.020 1.00 0.00 C ATOM 1519 C VAL A 100 -9.005 -0.403 1.726 1.00 0.00 C ATOM 1520 O VAL A 100 -9.334 0.579 2.391 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.470 -2.708 2.517 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.765 -2.099 3.720 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -9.027 -4.083 2.856 1.00 0.00 C ATOM 0 H VAL A 100 -10.126 -3.333 0.718 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.351 -1.689 2.798 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.738 -2.824 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.975 -2.770 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.331 -1.139 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.483 -1.951 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.220 -4.727 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.780 -3.988 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.481 -4.521 1.967 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.135 -0.340 0.723 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.503 0.917 0.339 1.00 0.00 C ATOM 1535 C VAL A 101 -8.521 2.049 0.279 1.00 0.00 C ATOM 1536 O VAL A 101 -8.258 3.159 0.740 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.803 0.797 -1.029 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.134 2.111 -1.403 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.793 -0.340 -1.013 1.00 0.00 C ATOM 0 H VAL A 101 -7.852 -1.144 0.162 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.758 1.143 1.102 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.556 0.572 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.645 2.008 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.885 2.899 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.392 2.369 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.308 -0.410 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.042 -0.149 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.304 -1.278 -0.794 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.686 1.761 -0.293 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.745 2.756 -0.413 1.00 0.00 C ATOM 1551 C ASN A 102 -11.426 2.991 0.932 1.00 0.00 C ATOM 1552 O ASN A 102 -11.776 4.121 1.273 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.779 2.308 -1.448 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.240 2.363 -2.865 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.453 3.340 -3.584 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.539 1.312 -3.272 1.00 0.00 N ATOM 0 H ASN A 102 -9.920 0.847 -0.680 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.294 3.692 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.097 1.290 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.662 2.942 -1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.152 1.292 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.388 0.525 -2.641 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.608 1.918 1.693 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.248 2.007 3.000 1.00 0.00 C ATOM 1565 C TYR A 103 -11.566 3.059 3.870 1.00 0.00 C ATOM 1566 O TYR A 103 -12.137 4.113 4.152 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.213 0.648 3.702 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.795 0.672 5.097 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -12.037 1.097 6.180 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.104 0.271 5.331 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.564 1.119 7.457 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.641 0.291 6.604 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.867 0.716 7.663 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.398 0.738 8.933 1.00 0.00 O ATOM 0 H TYR A 103 -11.321 0.976 1.427 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.286 2.304 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.762 -0.076 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.181 0.302 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.017 1.416 6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.713 -0.062 4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.960 1.450 8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.661 -0.024 6.768 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.326 0.425 8.905 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.340 2.765 4.290 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.579 3.684 5.128 1.00 0.00 C ATOM 1586 C PHE A 104 -9.807 5.130 4.697 1.00 0.00 C ATOM 1587 O PHE A 104 -10.262 5.960 5.483 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.088 3.349 5.064 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.674 2.267 6.020 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.924 2.390 7.377 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.035 1.127 5.561 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.546 1.395 8.259 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.654 0.128 6.437 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.909 0.263 7.788 1.00 0.00 C ATOM 0 H PHE A 104 -9.853 1.898 4.064 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.926 3.572 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.836 3.041 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.512 4.250 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.420 3.274 7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.832 1.017 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.748 1.502 9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.158 -0.757 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.611 -0.515 8.475 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.487 5.423 3.440 1.00 0.00 N ATOM 1605 CA VAL A 105 -9.657 6.767 2.901 1.00 0.00 C ATOM 1606 C VAL A 105 -10.899 7.436 3.478 1.00 0.00 C ATOM 1607 O VAL A 105 -10.854 8.591 3.904 1.00 0.00 O ATOM 1608 CB VAL A 105 -9.764 6.747 1.366 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.061 8.141 0.832 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.489 6.192 0.750 1.00 0.00 C ATOM 0 H VAL A 105 -9.109 4.747 2.776 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.774 7.338 3.188 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.590 6.093 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.133 8.107 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.004 8.496 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.259 8.820 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.583 6.185 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.644 6.817 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.326 5.175 1.106 1.00 0.00 H new ATOM 1620 N SER A 106 -12.009 6.705 3.488 1.00 0.00 N ATOM 1621 CA SER A 106 -13.266 7.230 4.010 1.00 0.00 C ATOM 1622 C SER A 106 -13.312 7.117 5.531 1.00 0.00 C ATOM 1623 O SER A 106 -13.797 8.016 6.218 1.00 0.00 O ATOM 1624 CB SER A 106 -14.449 6.481 3.396 1.00 0.00 C ATOM 1625 OG SER A 106 -15.643 6.735 4.116 1.00 0.00 O ATOM 0 H SER A 106 -12.064 5.748 3.141 1.00 0.00 H new ATOM 0 HA SER A 106 -13.332 8.284 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.576 6.785 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.243 5.411 3.393 1.00 0.00 H new ATOM 0 HG SER A 106 -16.385 6.246 3.702 1.00 0.00 H new ATOM 1631 N HIS A 107 -12.802 6.005 6.052 1.00 0.00 N ATOM 1632 CA HIS A 107 -12.784 5.773 7.492 1.00 0.00 C ATOM 1633 C HIS A 107 -12.401 7.046 8.241 1.00 0.00 C ATOM 1634 O HIS A 107 -13.230 7.653 8.921 1.00 0.00 O ATOM 1635 CB HIS A 107 -11.806 4.650 7.836 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.602 4.465 9.308 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -12.643 4.333 10.203 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -10.467 4.389 10.042 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -12.158 4.185 11.422 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -10.839 4.214 11.352 1.00 0.00 N ATOM 0 H HIS A 107 -12.396 5.251 5.498 1.00 0.00 H new ATOM 0 HA HIS A 107 -13.787 5.478 7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.172 3.717 7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.844 4.860 7.368 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.456 4.454 9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.740 4.061 12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.201 4.121 12.142 1.00 0.00 H new ATOM 1649 N THR A 108 -11.139 7.444 8.116 1.00 0.00 N ATOM 1650 CA THR A 108 -10.645 8.642 8.783 1.00 0.00 C ATOM 1651 C THR A 108 -10.846 9.878 7.913 1.00 0.00 C ATOM 1652 O THR A 108 -11.412 10.877 8.357 1.00 0.00 O ATOM 1653 CB THR A 108 -9.151 8.514 9.136 1.00 0.00 C ATOM 1654 OG1 THR A 108 -8.717 9.673 9.856 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.311 8.346 7.879 1.00 0.00 C ATOM 0 H THR A 108 -10.440 6.954 7.558 1.00 0.00 H new ATOM 0 HA THR A 108 -11.220 8.751 9.703 1.00 0.00 H new ATOM 0 HB THR A 108 -9.022 7.630 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.767 9.583 10.078 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.260 8.258 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.625 7.447 7.349 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.446 9.213 7.233 1.00 0.00 H new ATOM 1663 N LYS A 109 -10.377 9.804 6.672 1.00 0.00 N ATOM 1664 CA LYS A 109 -10.507 10.915 5.737 1.00 0.00 C ATOM 1665 C LYS A 109 -11.763 10.766 4.884 1.00 0.00 C ATOM 1666 O LYS A 109 -12.558 9.849 5.088 1.00 0.00 O ATOM 1667 CB LYS A 109 -9.272 10.998 4.837 1.00 0.00 C ATOM 1668 CG LYS A 109 -8.152 11.843 5.417 1.00 0.00 C ATOM 1669 CD LYS A 109 -8.513 13.319 5.423 1.00 0.00 C ATOM 1670 CE LYS A 109 -8.539 13.893 4.015 1.00 0.00 C ATOM 1671 NZ LYS A 109 -8.763 15.366 4.020 1.00 0.00 N ATOM 0 H LYS A 109 -9.903 8.985 6.290 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.590 11.835 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.898 9.991 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.564 11.410 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.938 11.516 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.243 11.692 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.489 13.454 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -7.791 13.868 6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.596 13.671 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.327 13.408 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.774 15.719 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.674 15.577 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.997 15.832 4.547 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.933 11.673 3.928 1.00 0.00 N ATOM 1686 CA LYS A 110 -13.090 11.641 3.041 1.00 0.00 C ATOM 1687 C LYS A 110 -12.660 11.440 1.592 1.00 0.00 C ATOM 1688 O LYS A 110 -13.353 10.785 0.813 1.00 0.00 O ATOM 1689 CB LYS A 110 -13.894 12.937 3.171 1.00 0.00 C ATOM 1690 CG LYS A 110 -15.113 12.990 2.266 1.00 0.00 C ATOM 1691 CD LYS A 110 -16.343 12.422 2.954 1.00 0.00 C ATOM 1692 CE LYS A 110 -16.480 10.928 2.707 1.00 0.00 C ATOM 1693 NZ LYS A 110 -17.904 10.492 2.716 1.00 0.00 N ATOM 0 H LYS A 110 -11.284 12.439 3.748 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.718 10.800 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.215 13.053 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.245 13.782 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.304 14.022 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.914 12.429 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.281 12.610 4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.234 12.935 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.029 10.676 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.928 10.381 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.954 9.468 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.328 10.709 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.426 10.994 1.970 1.00 0.00 H new ATOM 1707 N ALA A 111 -11.512 12.008 1.236 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.988 11.888 -0.118 1.00 0.00 C ATOM 1709 C ALA A 111 -9.471 12.035 -0.135 1.00 0.00 C ATOM 1710 O ALA A 111 -8.942 13.136 0.027 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.631 12.925 -1.026 1.00 0.00 C ATOM 0 H ALA A 111 -10.927 12.556 1.867 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.234 10.893 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.230 12.824 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.710 12.771 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.414 13.924 -0.648 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.775 10.921 -0.331 1.00 0.00 N ATOM 1718 CA LEU A 112 -7.316 10.926 -0.368 1.00 0.00 C ATOM 1719 C LEU A 112 -6.803 10.371 -1.693 1.00 0.00 C ATOM 1720 O LEU A 112 -7.586 10.043 -2.585 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.754 10.104 0.794 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.494 10.869 2.093 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -6.323 9.904 3.255 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.269 11.759 1.951 1.00 0.00 C ATOM 0 H LEU A 112 -9.197 10.002 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.978 11.958 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.448 9.291 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.818 9.648 0.471 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.357 11.503 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.139 10.466 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.229 9.309 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.478 9.244 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.099 12.296 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.398 11.145 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.431 12.475 1.145 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.483 10.268 -1.814 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.866 9.750 -3.029 1.00 0.00 C ATOM 1738 C VAL A 113 -3.884 8.628 -2.710 1.00 0.00 C ATOM 1739 O VAL A 113 -2.959 8.786 -1.913 1.00 0.00 O ATOM 1740 CB VAL A 113 -4.126 10.860 -3.801 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.446 10.289 -5.035 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -5.089 11.975 -4.179 1.00 0.00 C ATOM 0 H VAL A 113 -4.821 10.536 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.671 9.360 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.356 11.280 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.929 11.087 -5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.726 9.528 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.195 9.842 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.551 12.751 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.882 11.573 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.525 12.401 -3.275 1.00 0.00 H new ATOM 1752 N PRO A 114 -4.087 7.466 -3.348 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.229 6.293 -3.150 1.00 0.00 C ATOM 1754 C PRO A 114 -1.836 6.487 -3.741 1.00 0.00 C ATOM 1755 O PRO A 114 -1.668 7.184 -4.743 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.974 5.180 -3.890 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.784 5.886 -4.921 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.169 7.207 -4.313 1.00 0.00 C ATOM 0 HA PRO A 114 -3.062 6.083 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.280 4.475 -4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.608 4.609 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.210 6.030 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.668 5.306 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.233 7.993 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.141 7.156 -3.823 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.842 5.867 -3.115 1.00 0.00 N ATOM 1767 CA PHE A 115 0.536 5.972 -3.580 1.00 0.00 C ATOM 1768 C PHE A 115 0.881 4.825 -4.527 1.00 0.00 C ATOM 1769 O PHE A 115 0.938 3.664 -4.119 1.00 0.00 O ATOM 1770 CB PHE A 115 1.499 5.973 -2.390 1.00 0.00 C ATOM 1771 CG PHE A 115 2.922 6.267 -2.771 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.661 5.350 -3.502 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.520 7.460 -2.399 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.971 5.618 -3.853 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.830 7.732 -2.747 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.556 6.810 -3.476 1.00 0.00 C ATOM 0 H PHE A 115 -0.964 5.287 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 115 0.639 6.911 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.165 6.714 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.456 5.002 -1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.208 4.416 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.957 8.185 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.537 4.895 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.286 8.665 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.579 7.021 -3.750 1.00 0.00 H new ATOM 1786 N LEU A 116 1.109 5.159 -5.792 1.00 0.00 N ATOM 1787 CA LEU A 116 1.446 4.158 -6.797 1.00 0.00 C ATOM 1788 C LEU A 116 2.870 4.358 -7.307 1.00 0.00 C ATOM 1789 O LEU A 116 3.334 5.489 -7.461 1.00 0.00 O ATOM 1790 CB LEU A 116 0.461 4.226 -7.965 1.00 0.00 C ATOM 1791 CG LEU A 116 0.831 3.413 -9.206 1.00 0.00 C ATOM 1792 CD1 LEU A 116 0.535 1.938 -8.985 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.086 3.932 -10.426 1.00 0.00 C ATOM 0 H LEU A 116 1.067 6.115 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 116 1.380 3.175 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.513 3.889 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.350 5.270 -8.259 1.00 0.00 H new ATOM 0 HG LEU A 116 1.900 3.525 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.805 1.375 -9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.115 1.573 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.528 1.807 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.362 3.341 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.988 3.851 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.349 4.976 -10.596 1.00 0.00 H new ATOM 1805 N LEU A 117 3.560 3.253 -7.570 1.00 0.00 N ATOM 1806 CA LEU A 117 4.931 3.306 -8.065 1.00 0.00 C ATOM 1807 C LEU A 117 5.169 2.234 -9.124 1.00 0.00 C ATOM 1808 O LEU A 117 5.059 1.040 -8.848 1.00 0.00 O ATOM 1809 CB LEU A 117 5.918 3.127 -6.910 1.00 0.00 C ATOM 1810 CG LEU A 117 7.380 3.452 -7.221 1.00 0.00 C ATOM 1811 CD1 LEU A 117 7.472 4.513 -8.307 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.103 3.910 -5.963 1.00 0.00 C ATOM 0 H LEU A 117 3.192 2.309 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 117 5.089 4.283 -8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.595 3.757 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.861 2.094 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 117 7.864 2.546 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 117 8.520 4.731 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.991 4.148 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.972 5.421 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.142 4.137 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.618 4.803 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.068 3.118 -5.215 1.00 0.00 H new ATOM 1824 N ASP A 118 5.498 2.670 -10.335 1.00 0.00 N ATOM 1825 CA ASP A 118 5.756 1.747 -11.435 1.00 0.00 C ATOM 1826 C ASP A 118 7.180 1.202 -11.366 1.00 0.00 C ATOM 1827 O ASP A 118 7.956 1.579 -10.486 1.00 0.00 O ATOM 1828 CB ASP A 118 5.529 2.445 -12.777 1.00 0.00 C ATOM 1829 CG ASP A 118 6.603 3.470 -13.087 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.799 3.137 -12.949 1.00 0.00 O ATOM 1831 OD2 ASP A 118 6.248 4.605 -13.467 1.00 0.00 O ATOM 0 H ASP A 118 5.592 3.656 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 118 5.062 0.911 -11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.503 1.699 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.555 2.935 -12.768 1.00 0.00 H new