USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 734 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 68 ASN : amide:sc= -2.35 K(o=-3.5,f=-7.4!) USER MOD Set 1.2: A 69 ASN : amide:sc= -1.13 K(o=-3.5,f=-7.6!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -1.1 K(o=-7.1,f=-6) USER MOD Set 2.2: A 48 HIS : no HD1:sc= -5.99! C(o=-7.1!,f=-6.6!) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -140:sc= 0.25 (180deg=0) USER MOD Set 3.2: A 58 GLN : amide:sc= -0.402 K(o=-0.15,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.648 K(o=-0.65,f=-5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -52:sc= 0.365 USER MOD Single : A 54 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.34) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= -0.0702 (180deg=-1.26!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0852 K(o=-0.085,f=-0.9) USER MOD Single : A 75 HIS : no HD1:sc= -0.0395 K(o=-0.04,f=-3.6!) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.18) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 140:sc= 0.0207 USER MOD Single : A 90 THR OG1 : rot -72:sc= 0.761 USER MOD Single : A 91 ASN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.061 -2.649 -10.807 1.00 0.00 N ATOM 164 CA LEU A 15 9.714 -2.309 -10.361 1.00 0.00 C ATOM 165 C LEU A 15 8.762 -3.484 -10.559 1.00 0.00 C ATOM 166 O LEU A 15 8.877 -4.233 -11.529 1.00 0.00 O ATOM 167 CB LEU A 15 9.197 -1.086 -11.122 1.00 0.00 C ATOM 168 CG LEU A 15 9.825 0.255 -10.742 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.674 1.256 -11.877 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.197 0.795 -9.465 1.00 0.00 C ATOM 0 HA LEU A 15 9.758 -2.076 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.358 -1.251 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.120 -1.016 -10.969 1.00 0.00 H new ATOM 0 HG LEU A 15 10.889 0.098 -10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.127 2.204 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.171 0.873 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.616 1.409 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.656 1.750 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.127 0.936 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.358 0.086 -8.653 1.00 0.00 H new ATOM 182 N ALA A 16 7.821 -3.639 -9.633 1.00 0.00 N ATOM 183 CA ALA A 16 6.847 -4.721 -9.708 1.00 0.00 C ATOM 184 C ALA A 16 5.422 -4.182 -9.632 1.00 0.00 C ATOM 185 O ALA A 16 5.168 -3.155 -9.002 1.00 0.00 O ATOM 186 CB ALA A 16 7.092 -5.729 -8.596 1.00 0.00 C ATOM 0 H ALA A 16 7.713 -3.029 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 16 6.968 -5.221 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.357 -6.531 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.094 -6.145 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.000 -5.234 -7.629 1.00 0.00 H new ATOM 192 N THR A 17 4.495 -4.882 -10.279 1.00 0.00 N ATOM 193 CA THR A 17 3.096 -4.473 -10.286 1.00 0.00 C ATOM 194 C THR A 17 2.440 -4.734 -8.935 1.00 0.00 C ATOM 195 O THR A 17 2.026 -5.856 -8.641 1.00 0.00 O ATOM 196 CB THR A 17 2.301 -5.209 -11.381 1.00 0.00 C ATOM 197 OG1 THR A 17 2.997 -5.127 -12.630 1.00 0.00 O ATOM 198 CG2 THR A 17 0.908 -4.615 -11.530 1.00 0.00 C ATOM 0 H THR A 17 4.688 -5.735 -10.805 1.00 0.00 H new ATOM 0 HA THR A 17 3.081 -3.403 -10.493 1.00 0.00 H new ATOM 0 HB THR A 17 2.203 -6.254 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.486 -5.599 -13.321 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.365 -5.151 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.371 -4.705 -10.586 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.988 -3.563 -11.802 1.00 0.00 H new ATOM 206 N VAL A 18 2.346 -3.692 -8.116 1.00 0.00 N ATOM 207 CA VAL A 18 1.738 -3.809 -6.796 1.00 0.00 C ATOM 208 C VAL A 18 0.356 -3.166 -6.769 1.00 0.00 C ATOM 209 O VAL A 18 0.227 -1.943 -6.828 1.00 0.00 O ATOM 210 CB VAL A 18 2.618 -3.156 -5.713 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.963 -3.281 -4.346 1.00 0.00 C ATOM 212 CG2 VAL A 18 4.006 -3.778 -5.707 1.00 0.00 C ATOM 0 H VAL A 18 2.683 -2.757 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 18 1.644 -4.874 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 18 2.721 -2.096 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.599 -2.814 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.993 -2.784 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.827 -4.335 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.614 -3.304 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.926 -4.845 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.475 -3.631 -6.680 1.00 0.00 H new ATOM 222 N LYS A 19 -0.676 -3.998 -6.678 1.00 0.00 N ATOM 223 CA LYS A 19 -2.050 -3.512 -6.640 1.00 0.00 C ATOM 224 C LYS A 19 -2.401 -2.978 -5.255 1.00 0.00 C ATOM 225 O LYS A 19 -2.153 -3.636 -4.244 1.00 0.00 O ATOM 226 CB LYS A 19 -3.019 -4.632 -7.028 1.00 0.00 C ATOM 227 CG LYS A 19 -2.891 -5.073 -8.475 1.00 0.00 C ATOM 228 CD LYS A 19 -3.937 -6.115 -8.835 1.00 0.00 C ATOM 229 CE LYS A 19 -3.567 -7.487 -8.293 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.681 -8.463 -8.446 1.00 0.00 N ATOM 0 H LYS A 19 -0.587 -5.013 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.141 -2.696 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.847 -5.491 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.040 -4.296 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.997 -4.209 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.895 -5.482 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.905 -5.814 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.042 -6.167 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.685 -7.858 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.301 -7.402 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.389 -9.386 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.515 -8.122 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.918 -8.564 -9.454 1.00 0.00 H new ATOM 244 N VAL A 20 -2.980 -1.782 -5.216 1.00 0.00 N ATOM 245 CA VAL A 20 -3.368 -1.161 -3.955 1.00 0.00 C ATOM 246 C VAL A 20 -4.872 -0.918 -3.902 1.00 0.00 C ATOM 247 O VAL A 20 -5.423 -0.183 -4.722 1.00 0.00 O ATOM 248 CB VAL A 20 -2.635 0.176 -3.740 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.180 0.892 -2.513 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.137 -0.053 -3.612 1.00 0.00 C ATOM 0 H VAL A 20 -3.191 -1.224 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.087 -1.853 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.810 0.810 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.650 1.835 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.243 1.090 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.038 0.265 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.635 0.902 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.940 -0.705 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.761 -0.520 -4.522 1.00 0.00 H new ATOM 260 N VAL A 21 -5.532 -1.541 -2.931 1.00 0.00 N ATOM 261 CA VAL A 21 -6.974 -1.391 -2.769 1.00 0.00 C ATOM 262 C VAL A 21 -7.310 -0.708 -1.448 1.00 0.00 C ATOM 263 O VAL A 21 -6.827 -1.108 -0.388 1.00 0.00 O ATOM 264 CB VAL A 21 -7.689 -2.754 -2.825 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.172 -2.591 -2.528 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.478 -3.410 -4.181 1.00 0.00 C ATOM 0 H VAL A 21 -5.092 -2.154 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.323 -0.771 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.259 -3.403 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.661 -3.564 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.299 -2.166 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.620 -1.926 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.990 -4.372 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.881 -2.766 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.412 -3.562 -4.350 1.00 0.00 H new ATOM 276 N LEU A 22 -8.142 0.326 -1.518 1.00 0.00 N ATOM 277 CA LEU A 22 -8.545 1.066 -0.328 1.00 0.00 C ATOM 278 C LEU A 22 -9.627 0.315 0.441 1.00 0.00 C ATOM 279 O LEU A 22 -10.656 -0.059 -0.122 1.00 0.00 O ATOM 280 CB LEU A 22 -9.051 2.457 -0.715 1.00 0.00 C ATOM 281 CG LEU A 22 -7.978 3.483 -1.084 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.581 4.613 -1.905 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.309 4.029 0.168 1.00 0.00 C ATOM 0 H LEU A 22 -8.550 0.671 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.673 1.170 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.731 2.352 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.634 2.854 0.116 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.220 2.986 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.803 5.334 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.012 4.208 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.360 5.109 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.549 4.757 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.056 4.510 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.842 3.211 0.717 1.00 0.00 H new ATOM 295 N ILE A 23 -9.387 0.098 1.730 1.00 0.00 N ATOM 296 CA ILE A 23 -10.343 -0.605 2.576 1.00 0.00 C ATOM 297 C ILE A 23 -11.592 0.237 2.812 1.00 0.00 C ATOM 298 O ILE A 23 -12.713 -0.169 2.503 1.00 0.00 O ATOM 299 CB ILE A 23 -9.723 -0.978 3.936 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.072 -2.360 3.863 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.782 -0.942 5.028 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.060 -3.482 3.627 1.00 0.00 C ATOM 0 H ILE A 23 -8.539 0.399 2.211 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.619 -1.518 2.049 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.952 -0.247 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.333 -2.363 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.535 -2.549 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.329 -1.208 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.204 0.061 5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.573 -1.653 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.528 -4.433 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.785 -3.506 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.580 -3.317 2.683 1.00 0.00 H new ATOM 314 N PRO A 24 -11.397 1.439 3.373 1.00 0.00 N ATOM 315 CA PRO A 24 -12.496 2.366 3.662 1.00 0.00 C ATOM 316 C PRO A 24 -13.112 2.948 2.394 1.00 0.00 C ATOM 317 O PRO A 24 -14.322 3.159 2.320 1.00 0.00 O ATOM 318 CB PRO A 24 -11.825 3.468 4.484 1.00 0.00 C ATOM 319 CG PRO A 24 -10.393 3.429 4.073 1.00 0.00 C ATOM 320 CD PRO A 24 -10.089 1.988 3.768 1.00 0.00 C ATOM 0 HA PRO A 24 -13.320 1.872 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.270 4.442 4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.935 3.287 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.220 4.058 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.748 3.804 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.355 1.893 2.968 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.682 1.471 4.637 1.00 0.00 H new ATOM 328 N VAL A 25 -12.271 3.204 1.397 1.00 0.00 N ATOM 329 CA VAL A 25 -12.733 3.760 0.131 1.00 0.00 C ATOM 330 C VAL A 25 -13.231 2.662 -0.803 1.00 0.00 C ATOM 331 O VAL A 25 -14.307 2.772 -1.389 1.00 0.00 O ATOM 332 CB VAL A 25 -11.616 4.552 -0.576 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.207 5.528 -1.581 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.753 5.280 0.444 1.00 0.00 C ATOM 0 H VAL A 25 -11.266 3.035 1.442 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.556 4.436 0.364 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.983 3.850 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.403 6.078 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.778 4.978 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.864 6.228 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.969 5.834 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.371 5.973 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.300 4.555 1.120 1.00 0.00 H new ATOM 344 N GLY A 26 -12.440 1.602 -0.936 1.00 0.00 N ATOM 345 CA GLY A 26 -12.817 0.498 -1.799 1.00 0.00 C ATOM 346 C GLY A 26 -12.301 0.667 -3.214 1.00 0.00 C ATOM 347 O GLY A 26 -12.439 -0.233 -4.042 1.00 0.00 O ATOM 0 H GLY A 26 -11.544 1.488 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.431 -0.433 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.903 0.411 -1.819 1.00 0.00 H new ATOM 351 N GLN A 27 -11.707 1.823 -3.492 1.00 0.00 N ATOM 352 CA GLN A 27 -11.171 2.106 -4.819 1.00 0.00 C ATOM 353 C GLN A 27 -9.822 1.423 -5.018 1.00 0.00 C ATOM 354 O GLN A 27 -9.016 1.341 -4.092 1.00 0.00 O ATOM 355 CB GLN A 27 -11.028 3.615 -5.022 1.00 0.00 C ATOM 356 CG GLN A 27 -10.513 3.997 -6.400 1.00 0.00 C ATOM 357 CD GLN A 27 -9.900 5.384 -6.431 1.00 0.00 C ATOM 358 OE1 GLN A 27 -10.254 6.212 -7.270 1.00 0.00 O ATOM 359 NE2 GLN A 27 -8.977 5.644 -5.513 1.00 0.00 N ATOM 0 H GLN A 27 -11.585 2.578 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.869 1.712 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.997 4.088 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.350 4.012 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.769 3.268 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.334 3.951 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.714 4.927 -4.837 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.531 6.561 -5.484 1.00 0.00 H new ATOM 368 N GLU A 28 -9.585 0.935 -6.231 1.00 0.00 N ATOM 369 CA GLU A 28 -8.334 0.258 -6.550 1.00 0.00 C ATOM 370 C GLU A 28 -7.319 1.238 -7.133 1.00 0.00 C ATOM 371 O GLU A 28 -7.689 2.249 -7.730 1.00 0.00 O ATOM 372 CB GLU A 28 -8.583 -0.883 -7.538 1.00 0.00 C ATOM 373 CG GLU A 28 -7.615 -2.045 -7.383 1.00 0.00 C ATOM 374 CD GLU A 28 -7.402 -2.804 -8.679 1.00 0.00 C ATOM 375 OE1 GLU A 28 -8.320 -3.543 -9.091 1.00 0.00 O ATOM 376 OE2 GLU A 28 -6.318 -2.658 -9.280 1.00 0.00 O ATOM 0 H GLU A 28 -10.242 0.996 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.927 -0.154 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.601 -1.249 -7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.512 -0.495 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.657 -1.669 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.993 -2.729 -6.624 1.00 0.00 H new ATOM 383 N ILE A 29 -6.039 0.930 -6.955 1.00 0.00 N ATOM 384 CA ILE A 29 -4.971 1.782 -7.463 1.00 0.00 C ATOM 385 C ILE A 29 -3.762 0.954 -7.888 1.00 0.00 C ATOM 386 O ILE A 29 -3.245 0.148 -7.115 1.00 0.00 O ATOM 387 CB ILE A 29 -4.526 2.815 -6.411 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.744 3.522 -5.812 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.572 3.825 -7.031 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.431 4.304 -4.555 1.00 0.00 C ATOM 0 H ILE A 29 -5.716 0.097 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.372 2.307 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.002 2.294 -5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.164 4.199 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.511 2.780 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.266 4.548 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.693 3.307 -7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.072 4.344 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.340 4.779 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.040 3.629 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.687 5.069 -4.778 1.00 0.00 H new ATOM 402 N VAL A 30 -3.316 1.160 -9.123 1.00 0.00 N ATOM 403 CA VAL A 30 -2.167 0.436 -9.652 1.00 0.00 C ATOM 404 C VAL A 30 -0.941 1.338 -9.739 1.00 0.00 C ATOM 405 O VAL A 30 -0.950 2.348 -10.442 1.00 0.00 O ATOM 406 CB VAL A 30 -2.462 -0.146 -11.047 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.221 -0.809 -11.624 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.620 -1.130 -10.979 1.00 0.00 C ATOM 0 H VAL A 30 -3.734 1.823 -9.776 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.965 -0.382 -8.961 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.748 0.671 -11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.450 -1.214 -12.610 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.422 -0.073 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.900 -1.616 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.815 -1.532 -11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.365 -1.945 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.511 -0.619 -10.613 1.00 0.00 H new ATOM 418 N ILE A 31 0.113 0.966 -9.020 1.00 0.00 N ATOM 419 CA ILE A 31 1.347 1.741 -9.017 1.00 0.00 C ATOM 420 C ILE A 31 2.564 0.836 -8.857 1.00 0.00 C ATOM 421 O ILE A 31 2.621 -0.019 -7.973 1.00 0.00 O ATOM 422 CB ILE A 31 1.350 2.791 -7.890 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.515 3.765 -8.074 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.433 2.109 -6.532 1.00 0.00 C ATOM 425 CD1 ILE A 31 2.515 4.903 -7.077 1.00 0.00 C ATOM 0 H ILE A 31 0.137 0.133 -8.432 1.00 0.00 H new ATOM 0 HA ILE A 31 1.401 2.252 -9.978 1.00 0.00 H new ATOM 0 HB ILE A 31 0.418 3.355 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.453 3.217 -7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.478 4.176 -9.083 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.434 2.864 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.574 1.451 -6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.351 1.523 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.369 5.553 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.593 5.475 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.583 4.501 -6.066 1.00 0.00 H new ATOM 437 N PRO A 32 3.563 1.028 -9.731 1.00 0.00 N ATOM 438 CA PRO A 32 4.799 0.241 -9.707 1.00 0.00 C ATOM 439 C PRO A 32 5.667 0.562 -8.495 1.00 0.00 C ATOM 440 O PRO A 32 6.148 1.685 -8.343 1.00 0.00 O ATOM 441 CB PRO A 32 5.509 0.655 -10.998 1.00 0.00 C ATOM 442 CG PRO A 32 4.985 2.016 -11.299 1.00 0.00 C ATOM 443 CD PRO A 32 3.563 2.030 -10.811 1.00 0.00 C ATOM 0 HA PRO A 32 4.600 -0.828 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.591 0.667 -10.868 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.293 -0.041 -11.809 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.577 2.782 -10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.033 2.225 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.273 3.015 -10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.863 1.766 -11.604 1.00 0.00 H new ATOM 451 N PHE A 33 5.864 -0.431 -7.634 1.00 0.00 N ATOM 452 CA PHE A 33 6.674 -0.254 -6.435 1.00 0.00 C ATOM 453 C PHE A 33 7.948 -1.091 -6.510 1.00 0.00 C ATOM 454 O PHE A 33 7.947 -2.197 -7.050 1.00 0.00 O ATOM 455 CB PHE A 33 5.871 -0.637 -5.190 1.00 0.00 C ATOM 456 CG PHE A 33 6.487 -0.155 -3.907 1.00 0.00 C ATOM 457 CD1 PHE A 33 6.878 1.166 -3.765 1.00 0.00 C ATOM 458 CD2 PHE A 33 6.675 -1.023 -2.844 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.445 1.614 -2.586 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.241 -0.582 -1.663 1.00 0.00 C ATOM 461 CZ PHE A 33 7.627 0.738 -1.534 1.00 0.00 C ATOM 0 H PHE A 33 5.474 -1.367 -7.745 1.00 0.00 H new ATOM 0 HA PHE A 33 6.955 0.797 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.864 -0.228 -5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.772 -1.722 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.738 1.855 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.376 -2.056 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.745 2.647 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.381 -1.269 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.070 1.084 -0.612 1.00 0.00 H new ATOM 471 N LYS A 34 9.034 -0.555 -5.964 1.00 0.00 N ATOM 472 CA LYS A 34 10.316 -1.251 -5.967 1.00 0.00 C ATOM 473 C LYS A 34 10.339 -2.354 -4.914 1.00 0.00 C ATOM 474 O LYS A 34 10.086 -2.105 -3.735 1.00 0.00 O ATOM 475 CB LYS A 34 11.456 -0.263 -5.712 1.00 0.00 C ATOM 476 CG LYS A 34 12.026 0.349 -6.980 1.00 0.00 C ATOM 477 CD LYS A 34 13.118 -0.522 -7.578 1.00 0.00 C ATOM 478 CE LYS A 34 14.130 0.306 -8.353 1.00 0.00 C ATOM 479 NZ LYS A 34 13.556 0.842 -9.618 1.00 0.00 N ATOM 0 H LYS A 34 9.052 0.360 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 34 10.451 -1.707 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.095 0.535 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.255 -0.774 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.228 0.485 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.428 1.338 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.626 -1.068 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.671 -1.264 -8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.475 1.133 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.002 -0.307 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.277 1.401 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.250 0.053 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.739 1.447 -9.399 1.00 0.00 H new ATOM 493 N VAL A 35 10.644 -3.573 -5.347 1.00 0.00 N ATOM 494 CA VAL A 35 10.703 -4.713 -4.440 1.00 0.00 C ATOM 495 C VAL A 35 11.840 -4.560 -3.437 1.00 0.00 C ATOM 496 O VAL A 35 11.723 -4.972 -2.282 1.00 0.00 O ATOM 497 CB VAL A 35 10.887 -6.034 -5.211 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.699 -6.289 -6.126 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.186 -6.011 -6.003 1.00 0.00 C ATOM 0 H VAL A 35 10.854 -3.796 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 35 9.753 -4.742 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 35 10.941 -6.851 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.847 -7.226 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.788 -6.352 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.609 -5.472 -6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.300 -6.952 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.164 -5.186 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.026 -5.879 -5.321 1.00 0.00 H new ATOM 509 N ASP A 36 12.940 -3.965 -3.884 1.00 0.00 N ATOM 510 CA ASP A 36 14.100 -3.755 -3.025 1.00 0.00 C ATOM 511 C ASP A 36 13.811 -2.688 -1.974 1.00 0.00 C ATOM 512 O ASP A 36 14.336 -2.739 -0.861 1.00 0.00 O ATOM 513 CB ASP A 36 15.314 -3.349 -3.862 1.00 0.00 C ATOM 514 CG ASP A 36 16.419 -2.741 -3.021 1.00 0.00 C ATOM 515 OD1 ASP A 36 16.388 -1.512 -2.799 1.00 0.00 O ATOM 516 OD2 ASP A 36 17.314 -3.493 -2.583 1.00 0.00 O ATOM 0 H ASP A 36 13.053 -3.619 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 36 14.318 -4.693 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.699 -4.224 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.004 -2.633 -4.623 1.00 0.00 H new ATOM 521 N THR A 37 12.974 -1.720 -2.334 1.00 0.00 N ATOM 522 CA THR A 37 12.617 -0.640 -1.424 1.00 0.00 C ATOM 523 C THR A 37 11.633 -1.118 -0.363 1.00 0.00 C ATOM 524 O THR A 37 10.636 -1.770 -0.676 1.00 0.00 O ATOM 525 CB THR A 37 12.001 0.552 -2.180 1.00 0.00 C ATOM 526 OG1 THR A 37 13.029 1.294 -2.846 1.00 0.00 O ATOM 527 CG2 THR A 37 11.244 1.465 -1.227 1.00 0.00 C ATOM 0 H THR A 37 12.530 -1.662 -3.251 1.00 0.00 H new ATOM 0 HA THR A 37 13.539 -0.316 -0.941 1.00 0.00 H new ATOM 0 HB THR A 37 11.299 0.163 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.629 2.049 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.818 2.299 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.443 0.904 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.928 1.846 -0.469 1.00 0.00 H new ATOM 535 N ILE A 38 11.917 -0.788 0.893 1.00 0.00 N ATOM 536 CA ILE A 38 11.055 -1.183 2.000 1.00 0.00 C ATOM 537 C ILE A 38 9.591 -0.893 1.686 1.00 0.00 C ATOM 538 O ILE A 38 9.272 -0.284 0.664 1.00 0.00 O ATOM 539 CB ILE A 38 11.442 -0.457 3.302 1.00 0.00 C ATOM 540 CG1 ILE A 38 11.826 0.994 3.007 1.00 0.00 C ATOM 541 CG2 ILE A 38 12.587 -1.184 3.992 1.00 0.00 C ATOM 542 CD1 ILE A 38 11.921 1.857 4.246 1.00 0.00 C ATOM 0 H ILE A 38 12.737 -0.248 1.169 1.00 0.00 H new ATOM 0 HA ILE A 38 11.190 -2.256 2.138 1.00 0.00 H new ATOM 0 HB ILE A 38 10.581 -0.456 3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.785 1.010 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.090 1.426 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.850 -0.660 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.280 -2.202 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.452 -1.211 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.197 2.872 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.957 1.872 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.678 1.449 4.916 1.00 0.00 H new ATOM 554 N LEU A 39 8.704 -1.332 2.572 1.00 0.00 N ATOM 555 CA LEU A 39 7.272 -1.119 2.391 1.00 0.00 C ATOM 556 C LEU A 39 6.891 0.323 2.711 1.00 0.00 C ATOM 557 O LEU A 39 5.934 0.862 2.156 1.00 0.00 O ATOM 558 CB LEU A 39 6.477 -2.077 3.281 1.00 0.00 C ATOM 559 CG LEU A 39 6.376 -3.522 2.789 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.147 -4.469 3.956 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.262 -3.659 1.762 1.00 0.00 C ATOM 0 H LEU A 39 8.951 -1.838 3.423 1.00 0.00 H new ATOM 0 HA LEU A 39 7.030 -1.317 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.931 -2.082 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.468 -1.682 3.395 1.00 0.00 H new ATOM 0 HG LEU A 39 7.319 -3.789 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.078 -5.492 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.979 -4.392 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.220 -4.203 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.205 -4.693 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.313 -3.372 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.469 -3.010 0.912 1.00 0.00 H new ATOM 573 N LYS A 40 7.649 0.944 3.609 1.00 0.00 N ATOM 574 CA LYS A 40 7.395 2.325 4.001 1.00 0.00 C ATOM 575 C LYS A 40 7.220 3.216 2.775 1.00 0.00 C ATOM 576 O LYS A 40 6.160 3.809 2.573 1.00 0.00 O ATOM 577 CB LYS A 40 8.543 2.850 4.867 1.00 0.00 C ATOM 578 CG LYS A 40 8.115 3.910 5.867 1.00 0.00 C ATOM 579 CD LYS A 40 9.265 4.837 6.224 1.00 0.00 C ATOM 580 CE LYS A 40 8.763 6.205 6.662 1.00 0.00 C ATOM 581 NZ LYS A 40 9.885 7.132 6.978 1.00 0.00 N ATOM 0 H LYS A 40 8.445 0.512 4.079 1.00 0.00 H new ATOM 0 HA LYS A 40 6.471 2.348 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.992 2.015 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.315 3.264 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.293 4.492 5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.740 3.429 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.857 4.392 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.924 4.949 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.147 6.636 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.125 6.094 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.502 8.053 7.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.458 6.733 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.479 7.258 6.134 1.00 0.00 H new ATOM 595 N TYR A 41 8.265 3.303 1.960 1.00 0.00 N ATOM 596 CA TYR A 41 8.227 4.122 0.754 1.00 0.00 C ATOM 597 C TYR A 41 6.838 4.098 0.123 1.00 0.00 C ATOM 598 O TYR A 41 6.321 5.130 -0.308 1.00 0.00 O ATOM 599 CB TYR A 41 9.266 3.631 -0.255 1.00 0.00 C ATOM 600 CG TYR A 41 10.627 4.264 -0.080 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.341 4.109 1.102 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.201 5.018 -1.097 1.00 0.00 C ATOM 603 CE1 TYR A 41 12.585 4.687 1.267 1.00 0.00 C ATOM 604 CE2 TYR A 41 12.445 5.598 -0.942 1.00 0.00 C ATOM 605 CZ TYR A 41 13.132 5.430 0.242 1.00 0.00 C ATOM 606 OH TYR A 41 14.372 6.006 0.402 1.00 0.00 O ATOM 0 H TYR A 41 9.149 2.817 2.112 1.00 0.00 H new ATOM 0 HA TYR A 41 8.461 5.149 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.364 2.549 -0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.906 3.836 -1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.916 3.526 1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.665 5.153 -2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.126 4.558 2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.877 6.179 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 41 14.614 6.494 -0.413 1.00 0.00 H new ATOM 616 N LEU A 42 6.238 2.914 0.073 1.00 0.00 N ATOM 617 CA LEU A 42 4.908 2.754 -0.504 1.00 0.00 C ATOM 618 C LEU A 42 3.866 3.513 0.311 1.00 0.00 C ATOM 619 O LEU A 42 3.039 4.239 -0.241 1.00 0.00 O ATOM 620 CB LEU A 42 4.537 1.271 -0.574 1.00 0.00 C ATOM 621 CG LEU A 42 3.194 0.946 -1.229 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.256 1.196 -2.727 1.00 0.00 C ATOM 623 CD2 LEU A 42 2.796 -0.495 -0.943 1.00 0.00 C ATOM 0 H LEU A 42 6.651 2.051 0.425 1.00 0.00 H new ATOM 0 HA LEU A 42 4.924 3.167 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.321 0.746 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.531 0.870 0.440 1.00 0.00 H new ATOM 0 HG LEU A 42 2.436 1.603 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.291 0.959 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.495 2.243 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.027 0.565 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.838 -0.709 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.556 -1.168 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.709 -0.642 0.134 1.00 0.00 H new ATOM 635 N LYS A 43 3.912 3.341 1.628 1.00 0.00 N ATOM 636 CA LYS A 43 2.975 4.012 2.521 1.00 0.00 C ATOM 637 C LYS A 43 3.284 5.504 2.613 1.00 0.00 C ATOM 638 O LYS A 43 2.424 6.303 2.983 1.00 0.00 O ATOM 639 CB LYS A 43 3.027 3.383 3.915 1.00 0.00 C ATOM 640 CG LYS A 43 4.043 4.033 4.838 1.00 0.00 C ATOM 641 CD LYS A 43 3.934 3.494 6.254 1.00 0.00 C ATOM 642 CE LYS A 43 3.659 1.998 6.262 1.00 0.00 C ATOM 643 NZ LYS A 43 3.784 1.418 7.628 1.00 0.00 N ATOM 0 H LYS A 43 4.589 2.742 2.101 1.00 0.00 H new ATOM 0 HA LYS A 43 1.972 3.891 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.039 3.449 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.263 2.323 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.049 3.856 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.891 5.112 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.859 3.698 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.135 4.015 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.656 1.811 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.356 1.497 5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.253 0.491 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.349 2.055 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.838 1.302 8.044 1.00 0.00 H new ATOM 657 N ASP A 44 4.514 5.870 2.272 1.00 0.00 N ATOM 658 CA ASP A 44 4.935 7.266 2.313 1.00 0.00 C ATOM 659 C ASP A 44 4.375 8.038 1.123 1.00 0.00 C ATOM 660 O ASP A 44 4.176 9.252 1.195 1.00 0.00 O ATOM 661 CB ASP A 44 6.461 7.360 2.325 1.00 0.00 C ATOM 662 CG ASP A 44 6.957 8.648 2.953 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.758 9.720 2.343 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.543 8.585 4.053 1.00 0.00 O ATOM 0 H ASP A 44 5.237 5.220 1.964 1.00 0.00 H new ATOM 0 HA ASP A 44 4.544 7.711 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.870 6.511 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.834 7.290 1.303 1.00 0.00 H new ATOM 669 N HIS A 45 4.122 7.327 0.029 1.00 0.00 N ATOM 670 CA HIS A 45 3.585 7.946 -1.178 1.00 0.00 C ATOM 671 C HIS A 45 2.128 8.352 -0.978 1.00 0.00 C ATOM 672 O HIS A 45 1.648 9.303 -1.594 1.00 0.00 O ATOM 673 CB HIS A 45 3.702 6.988 -2.364 1.00 0.00 C ATOM 674 CG HIS A 45 3.456 7.642 -3.689 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.398 7.680 -4.695 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.366 8.283 -4.171 1.00 0.00 C ATOM 677 CE1 HIS A 45 3.898 8.319 -5.738 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.666 8.694 -5.446 1.00 0.00 N ATOM 0 H HIS A 45 4.280 6.322 -0.047 1.00 0.00 H new ATOM 0 HA HIS A 45 4.168 8.843 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.698 6.545 -2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.991 6.172 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.434 8.442 -3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.410 8.503 -6.671 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.039 9.206 -6.067 1.00 0.00 H new ATOM 687 N PHE A 46 1.429 7.622 -0.115 1.00 0.00 N ATOM 688 CA PHE A 46 0.026 7.905 0.165 1.00 0.00 C ATOM 689 C PHE A 46 -0.114 8.815 1.382 1.00 0.00 C ATOM 690 O PHE A 46 -1.049 9.609 1.472 1.00 0.00 O ATOM 691 CB PHE A 46 -0.742 6.602 0.397 1.00 0.00 C ATOM 692 CG PHE A 46 -0.937 5.791 -0.851 1.00 0.00 C ATOM 693 CD1 PHE A 46 -1.985 6.066 -1.715 1.00 0.00 C ATOM 694 CD2 PHE A 46 -0.074 4.753 -1.161 1.00 0.00 C ATOM 695 CE1 PHE A 46 -2.168 5.320 -2.864 1.00 0.00 C ATOM 696 CE2 PHE A 46 -0.251 4.004 -2.309 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.299 4.289 -3.162 1.00 0.00 C ATOM 0 H PHE A 46 1.811 6.830 0.402 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.395 8.418 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.207 6.000 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.717 6.836 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.667 6.872 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.747 4.526 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.990 5.543 -3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.429 3.197 -2.539 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.439 3.707 -4.061 1.00 0.00 H new ATOM 707 N SER A 47 0.824 8.692 2.316 1.00 0.00 N ATOM 708 CA SER A 47 0.804 9.499 3.530 1.00 0.00 C ATOM 709 C SER A 47 0.879 10.986 3.195 1.00 0.00 C ATOM 710 O SER A 47 0.343 11.825 3.920 1.00 0.00 O ATOM 711 CB SER A 47 1.968 9.112 4.445 1.00 0.00 C ATOM 712 OG SER A 47 3.182 9.689 3.998 1.00 0.00 O ATOM 0 H SER A 47 1.607 8.041 2.255 1.00 0.00 H new ATOM 0 HA SER A 47 -0.136 9.307 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.759 9.440 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.067 8.027 4.474 1.00 0.00 H new ATOM 0 HG SER A 47 3.316 9.476 3.051 1.00 0.00 H new ATOM 718 N HIS A 48 1.548 11.304 2.092 1.00 0.00 N ATOM 719 CA HIS A 48 1.693 12.690 1.659 1.00 0.00 C ATOM 720 C HIS A 48 0.487 13.131 0.835 1.00 0.00 C ATOM 721 O HIS A 48 -0.156 14.135 1.144 1.00 0.00 O ATOM 722 CB HIS A 48 2.974 12.859 0.841 1.00 0.00 C ATOM 723 CG HIS A 48 2.782 12.631 -0.627 1.00 0.00 C ATOM 724 ND1 HIS A 48 3.007 11.415 -1.236 1.00 0.00 N ATOM 725 CD2 HIS A 48 2.381 13.473 -1.608 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.755 11.519 -2.528 1.00 0.00 C ATOM 727 NE2 HIS A 48 2.373 12.757 -2.780 1.00 0.00 N ATOM 0 H HIS A 48 1.998 10.622 1.482 1.00 0.00 H new ATOM 0 HA HIS A 48 1.753 13.318 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.364 13.865 0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.727 12.164 1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.117 14.514 -1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.846 10.726 -3.255 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.114 13.123 -3.696 1.00 0.00 H new ATOM 736 N LEU A 49 0.186 12.375 -0.215 1.00 0.00 N ATOM 737 CA LEU A 49 -0.943 12.688 -1.085 1.00 0.00 C ATOM 738 C LEU A 49 -2.215 12.901 -0.270 1.00 0.00 C ATOM 739 O LEU A 49 -2.863 13.944 -0.373 1.00 0.00 O ATOM 740 CB LEU A 49 -1.156 11.564 -2.100 1.00 0.00 C ATOM 741 CG LEU A 49 -2.156 11.853 -3.221 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.516 12.213 -2.644 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.642 12.970 -4.118 1.00 0.00 C ATOM 0 H LEU A 49 0.708 11.541 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.716 13.612 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.194 11.322 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.489 10.675 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.268 10.952 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.214 12.415 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.888 11.382 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.422 13.100 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.366 13.163 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.501 13.875 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.691 12.673 -4.560 1.00 0.00 H new ATOM 755 N LEU A 50 -2.566 11.908 0.539 1.00 0.00 N ATOM 756 CA LEU A 50 -3.760 11.987 1.374 1.00 0.00 C ATOM 757 C LEU A 50 -3.639 13.117 2.391 1.00 0.00 C ATOM 758 O LEU A 50 -4.629 13.756 2.746 1.00 0.00 O ATOM 759 CB LEU A 50 -3.991 10.659 2.095 1.00 0.00 C ATOM 760 CG LEU A 50 -4.249 9.445 1.201 1.00 0.00 C ATOM 761 CD1 LEU A 50 -3.924 8.158 1.942 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.693 9.436 0.719 1.00 0.00 C ATOM 0 H LEU A 50 -2.041 11.039 0.635 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.613 12.195 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.120 10.449 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.841 10.777 2.768 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.597 9.513 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.114 7.305 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.875 8.163 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.550 8.082 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.859 8.566 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.363 9.392 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.892 10.344 0.149 1.00 0.00 H new ATOM 774 N GLY A 51 -2.417 13.360 2.856 1.00 0.00 N ATOM 775 CA GLY A 51 -2.188 14.414 3.827 1.00 0.00 C ATOM 776 C GLY A 51 -2.084 13.886 5.244 1.00 0.00 C ATOM 777 O GLY A 51 -1.652 14.599 6.149 1.00 0.00 O ATOM 0 H GLY A 51 -1.582 12.845 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.271 14.945 3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.001 15.138 3.771 1.00 0.00 H new ATOM 781 N ILE A 52 -2.482 12.633 5.437 1.00 0.00 N ATOM 782 CA ILE A 52 -2.432 12.010 6.753 1.00 0.00 C ATOM 783 C ILE A 52 -1.087 11.331 6.990 1.00 0.00 C ATOM 784 O ILE A 52 -0.430 10.859 6.061 1.00 0.00 O ATOM 785 CB ILE A 52 -3.556 10.972 6.928 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.373 9.818 5.940 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.916 11.627 6.740 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.434 8.746 6.059 1.00 0.00 C ATOM 0 H ILE A 52 -2.843 12.029 4.698 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.568 12.807 7.484 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.505 10.570 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.381 10.215 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.393 9.367 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.700 10.880 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.045 12.417 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.979 12.053 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.241 7.960 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.412 8.322 7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.415 9.183 5.871 1.00 0.00 H new ATOM 800 N PRO A 53 -0.666 11.279 8.262 1.00 0.00 N ATOM 801 CA PRO A 53 0.604 10.657 8.651 1.00 0.00 C ATOM 802 C PRO A 53 0.579 9.141 8.493 1.00 0.00 C ATOM 803 O PRO A 53 -0.487 8.537 8.365 1.00 0.00 O ATOM 804 CB PRO A 53 0.749 11.040 10.126 1.00 0.00 C ATOM 805 CG PRO A 53 -0.646 11.265 10.598 1.00 0.00 C ATOM 806 CD PRO A 53 -1.397 11.821 9.419 1.00 0.00 C ATOM 0 HA PRO A 53 1.431 10.993 8.026 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.236 10.248 10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.356 11.937 10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.096 10.334 10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.667 11.960 11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.440 11.503 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.396 12.911 9.420 1.00 0.00 H new ATOM 814 N HIS A 54 1.759 8.530 8.505 1.00 0.00 N ATOM 815 CA HIS A 54 1.873 7.082 8.365 1.00 0.00 C ATOM 816 C HIS A 54 1.708 6.391 9.715 1.00 0.00 C ATOM 817 O HIS A 54 1.534 5.175 9.783 1.00 0.00 O ATOM 818 CB HIS A 54 3.223 6.712 7.750 1.00 0.00 C ATOM 819 CG HIS A 54 4.362 7.534 8.269 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.828 7.441 9.564 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.132 8.465 7.660 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.834 8.282 9.729 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.039 8.915 8.588 1.00 0.00 N ATOM 0 H HIS A 54 2.650 9.015 8.610 1.00 0.00 H new ATOM 0 HA HIS A 54 1.076 6.742 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.426 5.659 7.946 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.165 6.829 6.668 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.049 8.793 6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.393 8.427 10.641 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.755 9.623 8.423 1.00 0.00 H new ATOM 832 N SER A 55 1.766 7.175 10.787 1.00 0.00 N ATOM 833 CA SER A 55 1.628 6.638 12.135 1.00 0.00 C ATOM 834 C SER A 55 0.300 5.904 12.295 1.00 0.00 C ATOM 835 O SER A 55 0.243 4.816 12.868 1.00 0.00 O ATOM 836 CB SER A 55 1.730 7.762 13.168 1.00 0.00 C ATOM 837 OG SER A 55 3.072 7.960 13.575 1.00 0.00 O ATOM 0 H SER A 55 1.908 8.184 10.748 1.00 0.00 H new ATOM 0 HA SER A 55 2.438 5.928 12.300 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.335 8.686 12.745 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.116 7.520 14.035 1.00 0.00 H new ATOM 0 HG SER A 55 3.111 8.684 14.234 1.00 0.00 H new ATOM 843 N VAL A 56 -0.768 6.508 11.783 1.00 0.00 N ATOM 844 CA VAL A 56 -2.096 5.914 11.867 1.00 0.00 C ATOM 845 C VAL A 56 -2.339 4.947 10.713 1.00 0.00 C ATOM 846 O VAL A 56 -3.049 3.952 10.861 1.00 0.00 O ATOM 847 CB VAL A 56 -3.196 6.992 11.859 1.00 0.00 C ATOM 848 CG1 VAL A 56 -3.139 7.822 13.132 1.00 0.00 C ATOM 849 CG2 VAL A 56 -3.064 7.878 10.629 1.00 0.00 C ATOM 0 H VAL A 56 -0.739 7.409 11.306 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.139 5.369 12.810 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.166 6.497 11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.923 8.578 13.109 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.286 7.174 13.996 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.167 8.310 13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.849 8.634 10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.090 8.366 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.159 7.269 9.730 1.00 0.00 H new ATOM 859 N LEU A 57 -1.746 5.247 9.563 1.00 0.00 N ATOM 860 CA LEU A 57 -1.897 4.404 8.381 1.00 0.00 C ATOM 861 C LEU A 57 -1.000 3.173 8.472 1.00 0.00 C ATOM 862 O LEU A 57 0.057 3.210 9.102 1.00 0.00 O ATOM 863 CB LEU A 57 -1.565 5.199 7.118 1.00 0.00 C ATOM 864 CG LEU A 57 -1.138 4.377 5.901 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.343 3.708 5.259 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.413 5.256 4.892 1.00 0.00 C ATOM 0 H LEU A 57 -1.156 6.067 9.423 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.934 4.072 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.439 5.790 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.767 5.902 7.355 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.452 3.599 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.020 3.128 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.820 3.047 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.054 4.469 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.116 4.655 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.076 6.056 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.474 5.688 5.356 1.00 0.00 H new ATOM 878 N GLN A 58 -1.429 2.087 7.838 1.00 0.00 N ATOM 879 CA GLN A 58 -0.663 0.846 7.846 1.00 0.00 C ATOM 880 C GLN A 58 -0.894 0.055 6.562 1.00 0.00 C ATOM 881 O GLN A 58 -1.670 0.467 5.700 1.00 0.00 O ATOM 882 CB GLN A 58 -1.045 -0.005 9.059 1.00 0.00 C ATOM 883 CG GLN A 58 -0.583 0.582 10.383 1.00 0.00 C ATOM 884 CD GLN A 58 0.903 0.395 10.617 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.721 0.664 9.736 1.00 0.00 O ATOM 886 NE2 GLN A 58 1.261 -0.067 11.810 1.00 0.00 N ATOM 0 H GLN A 58 -2.302 2.041 7.313 1.00 0.00 H new ATOM 0 HA GLN A 58 0.395 1.101 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.128 -0.124 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.617 -1.001 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.820 1.646 10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.137 0.114 11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.550 -0.277 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.247 -0.212 12.026 1.00 0.00 H new ATOM 895 N ILE A 59 -0.215 -1.080 6.443 1.00 0.00 N ATOM 896 CA ILE A 59 -0.347 -1.928 5.265 1.00 0.00 C ATOM 897 C ILE A 59 -0.640 -3.373 5.657 1.00 0.00 C ATOM 898 O ILE A 59 -0.101 -3.881 6.640 1.00 0.00 O ATOM 899 CB ILE A 59 0.926 -1.892 4.399 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.238 -0.455 3.974 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.764 -2.788 3.180 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.604 -0.295 3.343 1.00 0.00 C ATOM 0 H ILE A 59 0.432 -1.434 7.148 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.182 -1.534 4.686 1.00 0.00 H new ATOM 0 HB ILE A 59 1.761 -2.266 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.479 -0.121 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.171 0.196 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.672 -2.751 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.584 -3.813 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.080 -2.442 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.757 0.748 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.372 -0.598 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.669 -0.920 2.452 1.00 0.00 H new ATOM 914 N ARG A 60 -1.497 -4.029 4.881 1.00 0.00 N ATOM 915 CA ARG A 60 -1.861 -5.415 5.147 1.00 0.00 C ATOM 916 C ARG A 60 -1.507 -6.307 3.960 1.00 0.00 C ATOM 917 O ARG A 60 -1.938 -6.059 2.834 1.00 0.00 O ATOM 918 CB ARG A 60 -3.356 -5.523 5.451 1.00 0.00 C ATOM 919 CG ARG A 60 -3.842 -6.953 5.620 1.00 0.00 C ATOM 920 CD ARG A 60 -5.011 -7.033 6.590 1.00 0.00 C ATOM 921 NE ARG A 60 -6.286 -6.758 5.935 1.00 0.00 N ATOM 922 CZ ARG A 60 -6.998 -7.680 5.295 1.00 0.00 C ATOM 923 NH1 ARG A 60 -6.560 -8.929 5.225 1.00 0.00 N ATOM 924 NH2 ARG A 60 -8.150 -7.352 4.724 1.00 0.00 N ATOM 0 H ARG A 60 -1.952 -3.623 4.063 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.295 -5.753 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.574 -4.964 6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.917 -5.051 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.143 -7.353 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.024 -7.576 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.041 -8.025 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.859 -6.320 7.400 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.651 -5.806 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.675 -9.184 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.108 -9.635 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.490 -6.392 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.696 -8.060 4.233 1.00 0.00 H new ATOM 938 N TYR A 61 -0.720 -7.345 4.222 1.00 0.00 N ATOM 939 CA TYR A 61 -0.305 -8.272 3.175 1.00 0.00 C ATOM 940 C TYR A 61 -0.302 -9.708 3.690 1.00 0.00 C ATOM 941 O TYR A 61 0.211 -9.991 4.773 1.00 0.00 O ATOM 942 CB TYR A 61 1.086 -7.901 2.658 1.00 0.00 C ATOM 943 CG TYR A 61 1.625 -8.865 1.625 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.225 -8.785 0.297 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.534 -9.855 1.977 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.714 -9.664 -0.650 1.00 0.00 C ATOM 947 CE2 TYR A 61 3.029 -10.737 1.037 1.00 0.00 C ATOM 948 CZ TYR A 61 2.616 -10.638 -0.275 1.00 0.00 C ATOM 949 OH TYR A 61 3.106 -11.515 -1.216 1.00 0.00 O ATOM 0 H TYR A 61 -0.357 -7.566 5.149 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.021 -8.200 2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.049 -6.901 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.778 -7.859 3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.520 -8.023 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.859 -9.936 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.392 -9.589 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.736 -11.500 1.328 1.00 0.00 H new ATOM 0 HH TYR A 61 3.731 -12.137 -0.789 1.00 0.00 H new ATOM 959 N SER A 62 -0.880 -10.612 2.905 1.00 0.00 N ATOM 960 CA SER A 62 -0.948 -12.019 3.281 1.00 0.00 C ATOM 961 C SER A 62 -1.591 -12.184 4.655 1.00 0.00 C ATOM 962 O SER A 62 -1.294 -13.131 5.382 1.00 0.00 O ATOM 963 CB SER A 62 0.452 -12.637 3.284 1.00 0.00 C ATOM 964 OG SER A 62 0.402 -14.017 2.967 1.00 0.00 O ATOM 0 H SER A 62 -1.308 -10.395 2.005 1.00 0.00 H new ATOM 0 HA SER A 62 -1.564 -12.536 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.083 -12.118 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.910 -12.502 4.264 1.00 0.00 H new ATOM 0 HG SER A 62 1.309 -14.387 2.974 1.00 0.00 H new ATOM 970 N GLY A 63 -2.475 -11.254 5.002 1.00 0.00 N ATOM 971 CA GLY A 63 -3.148 -11.313 6.287 1.00 0.00 C ATOM 972 C GLY A 63 -2.197 -11.104 7.449 1.00 0.00 C ATOM 973 O GLY A 63 -2.545 -11.364 8.601 1.00 0.00 O ATOM 0 H GLY A 63 -2.737 -10.461 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.929 -10.554 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.639 -12.280 6.393 1.00 0.00 H new ATOM 977 N LYS A 64 -0.991 -10.633 7.148 1.00 0.00 N ATOM 978 CA LYS A 64 0.014 -10.389 8.175 1.00 0.00 C ATOM 979 C LYS A 64 0.474 -8.935 8.152 1.00 0.00 C ATOM 980 O LYS A 64 0.814 -8.399 7.096 1.00 0.00 O ATOM 981 CB LYS A 64 1.214 -11.318 7.975 1.00 0.00 C ATOM 982 CG LYS A 64 2.290 -10.736 7.076 1.00 0.00 C ATOM 983 CD LYS A 64 3.484 -11.669 6.958 1.00 0.00 C ATOM 984 CE LYS A 64 3.290 -12.685 5.843 1.00 0.00 C ATOM 985 NZ LYS A 64 2.531 -13.879 6.306 1.00 0.00 N ATOM 0 H LYS A 64 -0.686 -10.413 6.200 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.438 -10.593 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.650 -11.549 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.867 -12.260 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.875 -10.548 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.616 -9.775 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.385 -11.086 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.635 -12.190 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.760 -12.217 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.263 -12.998 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.867 -14.722 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.677 -14.008 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.518 -13.742 6.115 1.00 0.00 H new ATOM 999 N ILE A 65 0.484 -8.303 9.321 1.00 0.00 N ATOM 1000 CA ILE A 65 0.905 -6.912 9.433 1.00 0.00 C ATOM 1001 C ILE A 65 2.396 -6.765 9.148 1.00 0.00 C ATOM 1002 O ILE A 65 3.232 -7.356 9.832 1.00 0.00 O ATOM 1003 CB ILE A 65 0.603 -6.344 10.832 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.894 -6.443 11.135 1.00 0.00 C ATOM 1005 CG2 ILE A 65 1.074 -4.901 10.931 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.749 -5.565 10.249 1.00 0.00 C ATOM 0 H ILE A 65 0.205 -8.732 10.203 1.00 0.00 H new ATOM 0 HA ILE A 65 0.338 -6.349 8.691 1.00 0.00 H new ATOM 0 HB ILE A 65 1.144 -6.934 11.572 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.212 -7.479 11.021 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.065 -6.170 12.176 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.853 -4.514 11.926 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.149 -4.856 10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.558 -4.298 10.184 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.798 -5.686 10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.458 -4.523 10.380 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.608 -5.852 9.207 1.00 0.00 H new ATOM 1018 N LEU A 66 2.723 -5.971 8.134 1.00 0.00 N ATOM 1019 CA LEU A 66 4.114 -5.743 7.759 1.00 0.00 C ATOM 1020 C LEU A 66 4.646 -4.461 8.392 1.00 0.00 C ATOM 1021 O LEU A 66 3.882 -3.550 8.711 1.00 0.00 O ATOM 1022 CB LEU A 66 4.246 -5.666 6.237 1.00 0.00 C ATOM 1023 CG LEU A 66 3.249 -6.503 5.433 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.096 -5.946 4.027 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.691 -7.958 5.388 1.00 0.00 C ATOM 0 H LEU A 66 2.044 -5.475 7.557 1.00 0.00 H new ATOM 0 HA LEU A 66 4.706 -6.581 8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.141 -4.624 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.254 -5.977 5.964 1.00 0.00 H new ATOM 0 HG LEU A 66 2.279 -6.454 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.383 -6.554 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.734 -4.919 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.061 -5.964 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.971 -8.539 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.672 -8.026 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.748 -8.353 6.402 1.00 0.00 H new ATOM 1037 N LYS A 67 5.961 -4.397 8.569 1.00 0.00 N ATOM 1038 CA LYS A 67 6.597 -3.226 9.161 1.00 0.00 C ATOM 1039 C LYS A 67 7.440 -2.484 8.128 1.00 0.00 C ATOM 1040 O LYS A 67 7.733 -3.013 7.057 1.00 0.00 O ATOM 1041 CB LYS A 67 7.472 -3.640 10.346 1.00 0.00 C ATOM 1042 CG LYS A 67 8.120 -2.468 11.063 1.00 0.00 C ATOM 1043 CD LYS A 67 8.478 -2.819 12.497 1.00 0.00 C ATOM 1044 CE LYS A 67 8.565 -1.577 13.370 1.00 0.00 C ATOM 1045 NZ LYS A 67 7.244 -1.218 13.957 1.00 0.00 N ATOM 0 H LYS A 67 6.607 -5.143 8.311 1.00 0.00 H new ATOM 0 HA LYS A 67 5.812 -2.556 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.864 -4.199 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.252 -4.315 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.019 -2.165 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.441 -1.615 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.730 -3.499 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.432 -3.346 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.285 -1.746 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.938 -0.742 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.345 -0.366 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.564 -1.032 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.899 -2.005 14.543 1.00 0.00 H new ATOM 1059 N ASN A 68 7.827 -1.256 8.458 1.00 0.00 N ATOM 1060 CA ASN A 68 8.637 -0.443 7.559 1.00 0.00 C ATOM 1061 C ASN A 68 9.966 -1.128 7.253 1.00 0.00 C ATOM 1062 O ASN A 68 10.397 -1.183 6.103 1.00 0.00 O ATOM 1063 CB ASN A 68 8.891 0.935 8.174 1.00 0.00 C ATOM 1064 CG ASN A 68 9.385 0.848 9.605 1.00 0.00 C ATOM 1065 OD1 ASN A 68 10.520 0.444 9.857 1.00 0.00 O ATOM 1066 ND2 ASN A 68 8.532 1.227 10.549 1.00 0.00 N ATOM 0 H ASN A 68 7.593 -0.803 9.341 1.00 0.00 H new ATOM 0 HA ASN A 68 8.088 -0.322 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.625 1.469 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.970 1.518 8.145 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.808 1.190 11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.601 1.555 10.293 1.00 0.00 H new ATOM 1073 N ASN A 69 10.609 -1.649 8.293 1.00 0.00 N ATOM 1074 CA ASN A 69 11.889 -2.331 8.136 1.00 0.00 C ATOM 1075 C ASN A 69 11.760 -3.516 7.184 1.00 0.00 C ATOM 1076 O ASN A 69 12.720 -3.890 6.510 1.00 0.00 O ATOM 1077 CB ASN A 69 12.406 -2.808 9.495 1.00 0.00 C ATOM 1078 CG ASN A 69 12.491 -1.683 10.508 1.00 0.00 C ATOM 1079 OD1 ASN A 69 11.517 -1.381 11.199 1.00 0.00 O ATOM 1080 ND2 ASN A 69 13.658 -1.057 10.601 1.00 0.00 N ATOM 0 H ASN A 69 10.265 -1.612 9.253 1.00 0.00 H new ATOM 0 HA ASN A 69 12.601 -1.623 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.748 -3.589 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.392 -3.255 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.775 -0.292 11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.438 -1.341 10.008 1.00 0.00 H new ATOM 1087 N GLU A 70 10.568 -4.103 7.135 1.00 0.00 N ATOM 1088 CA GLU A 70 10.315 -5.245 6.265 1.00 0.00 C ATOM 1089 C GLU A 70 10.303 -4.821 4.799 1.00 0.00 C ATOM 1090 O GLU A 70 9.763 -3.771 4.448 1.00 0.00 O ATOM 1091 CB GLU A 70 8.983 -5.905 6.628 1.00 0.00 C ATOM 1092 CG GLU A 70 9.040 -6.733 7.900 1.00 0.00 C ATOM 1093 CD GLU A 70 7.844 -7.653 8.053 1.00 0.00 C ATOM 1094 OE1 GLU A 70 6.755 -7.296 7.556 1.00 0.00 O ATOM 1095 OE2 GLU A 70 7.996 -8.729 8.668 1.00 0.00 O ATOM 0 H GLU A 70 9.763 -3.807 7.687 1.00 0.00 H new ATOM 0 HA GLU A 70 11.121 -5.965 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.223 -5.132 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.667 -6.543 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.953 -7.328 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.093 -6.066 8.761 1.00 0.00 H new ATOM 1102 N THR A 71 10.902 -5.646 3.946 1.00 0.00 N ATOM 1103 CA THR A 71 10.962 -5.357 2.518 1.00 0.00 C ATOM 1104 C THR A 71 10.280 -6.453 1.707 1.00 0.00 C ATOM 1105 O THR A 71 10.287 -7.622 2.094 1.00 0.00 O ATOM 1106 CB THR A 71 12.417 -5.207 2.037 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.154 -4.387 2.951 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.466 -4.595 0.645 1.00 0.00 C ATOM 0 H THR A 71 11.352 -6.520 4.219 1.00 0.00 H new ATOM 0 HA THR A 71 10.437 -4.414 2.363 1.00 0.00 H new ATOM 0 HB THR A 71 12.867 -6.199 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.079 -4.298 2.638 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.504 -4.499 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.930 -5.237 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.999 -3.610 0.664 1.00 0.00 H new ATOM 1116 N LEU A 72 9.693 -6.068 0.579 1.00 0.00 N ATOM 1117 CA LEU A 72 9.006 -7.019 -0.289 1.00 0.00 C ATOM 1118 C LEU A 72 9.887 -8.231 -0.572 1.00 0.00 C ATOM 1119 O LEU A 72 9.500 -9.369 -0.305 1.00 0.00 O ATOM 1120 CB LEU A 72 8.609 -6.344 -1.604 1.00 0.00 C ATOM 1121 CG LEU A 72 7.457 -5.343 -1.523 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.194 -6.023 -1.017 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.830 -4.171 -0.626 1.00 0.00 C ATOM 0 H LEU A 72 9.679 -5.105 0.244 1.00 0.00 H new ATOM 0 HA LEU A 72 8.106 -7.359 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.483 -5.830 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.340 -7.120 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 72 7.263 -4.960 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.384 -5.295 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.916 -6.827 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.375 -6.435 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.998 -3.469 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.052 -4.536 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.708 -3.668 -1.031 1.00 0.00 H new ATOM 1135 N VAL A 73 11.075 -7.980 -1.114 1.00 0.00 N ATOM 1136 CA VAL A 73 12.012 -9.051 -1.430 1.00 0.00 C ATOM 1137 C VAL A 73 12.237 -9.958 -0.226 1.00 0.00 C ATOM 1138 O VAL A 73 12.327 -11.178 -0.364 1.00 0.00 O ATOM 1139 CB VAL A 73 13.369 -8.490 -1.897 1.00 0.00 C ATOM 1140 CG1 VAL A 73 13.259 -7.934 -3.309 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.864 -7.424 -0.932 1.00 0.00 C ATOM 0 H VAL A 73 11.411 -7.044 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 73 11.568 -9.631 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 73 14.095 -9.303 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.227 -7.542 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.951 -8.728 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.520 -7.133 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.823 -7.038 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.141 -6.610 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.983 -7.859 0.060 1.00 0.00 H new ATOM 1151 N GLN A 74 12.328 -9.354 0.954 1.00 0.00 N ATOM 1152 CA GLN A 74 12.543 -10.108 2.184 1.00 0.00 C ATOM 1153 C GLN A 74 11.396 -11.083 2.432 1.00 0.00 C ATOM 1154 O GLN A 74 11.586 -12.139 3.036 1.00 0.00 O ATOM 1155 CB GLN A 74 12.686 -9.156 3.373 1.00 0.00 C ATOM 1156 CG GLN A 74 14.115 -8.699 3.618 1.00 0.00 C ATOM 1157 CD GLN A 74 14.997 -9.807 4.158 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.540 -10.670 4.909 1.00 0.00 O ATOM 1159 NE2 GLN A 74 16.269 -9.790 3.778 1.00 0.00 N ATOM 0 H GLN A 74 12.256 -8.345 1.085 1.00 0.00 H new ATOM 0 HA GLN A 74 13.464 -10.680 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.057 -8.281 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.312 -9.650 4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.538 -8.325 2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.111 -7.867 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.605 -9.056 3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.910 -10.511 4.110 1.00 0.00 H new ATOM 1168 N HIS A 75 10.207 -10.721 1.963 1.00 0.00 N ATOM 1169 CA HIS A 75 9.029 -11.564 2.134 1.00 0.00 C ATOM 1170 C HIS A 75 8.957 -12.626 1.041 1.00 0.00 C ATOM 1171 O HIS A 75 8.223 -13.606 1.161 1.00 0.00 O ATOM 1172 CB HIS A 75 7.759 -10.712 2.117 1.00 0.00 C ATOM 1173 CG HIS A 75 7.448 -10.075 3.437 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.947 -10.777 4.512 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.572 -8.792 3.851 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.774 -9.953 5.531 1.00 0.00 C ATOM 1177 NE2 HIS A 75 7.146 -8.743 5.156 1.00 0.00 N ATOM 0 H HIS A 75 10.033 -9.850 1.462 1.00 0.00 H new ATOM 0 HA HIS A 75 9.109 -12.065 3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.864 -9.933 1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.917 -11.335 1.816 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.938 -7.962 3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.393 -10.224 6.505 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.121 -7.907 5.740 1.00 0.00 H new ATOM 1186 N GLY A 76 9.725 -12.424 -0.025 1.00 0.00 N ATOM 1187 CA GLY A 76 9.733 -13.372 -1.124 1.00 0.00 C ATOM 1188 C GLY A 76 8.974 -12.863 -2.334 1.00 0.00 C ATOM 1189 O GLY A 76 8.113 -13.558 -2.873 1.00 0.00 O ATOM 0 H GLY A 76 10.342 -11.621 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.763 -13.585 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.293 -14.312 -0.792 1.00 0.00 H new ATOM 1193 N VAL A 77 9.293 -11.646 -2.762 1.00 0.00 N ATOM 1194 CA VAL A 77 8.635 -11.044 -3.915 1.00 0.00 C ATOM 1195 C VAL A 77 9.646 -10.676 -4.995 1.00 0.00 C ATOM 1196 O VAL A 77 10.586 -9.920 -4.749 1.00 0.00 O ATOM 1197 CB VAL A 77 7.845 -9.784 -3.516 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.270 -9.101 -4.748 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.742 -10.137 -2.530 1.00 0.00 C ATOM 0 H VAL A 77 10.004 -11.057 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 77 7.943 -11.788 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 77 8.528 -9.088 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.715 -8.213 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.081 -8.812 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.601 -9.788 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.194 -9.235 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.059 -10.852 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.181 -10.577 -1.635 1.00 0.00 H new ATOM 1209 N LYS A 78 9.447 -11.215 -6.193 1.00 0.00 N ATOM 1210 CA LYS A 78 10.339 -10.943 -7.313 1.00 0.00 C ATOM 1211 C LYS A 78 9.813 -9.789 -8.161 1.00 0.00 C ATOM 1212 O LYS A 78 8.618 -9.491 -8.174 1.00 0.00 O ATOM 1213 CB LYS A 78 10.500 -12.194 -8.180 1.00 0.00 C ATOM 1214 CG LYS A 78 9.505 -12.273 -9.325 1.00 0.00 C ATOM 1215 CD LYS A 78 9.161 -13.713 -9.666 1.00 0.00 C ATOM 1216 CE LYS A 78 10.220 -14.344 -10.556 1.00 0.00 C ATOM 1217 NZ LYS A 78 11.335 -14.929 -9.762 1.00 0.00 N ATOM 0 H LYS A 78 8.675 -11.844 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 78 11.311 -10.660 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.511 -12.216 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.389 -13.078 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.596 -11.735 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.920 -11.779 -10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.064 -14.292 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.194 -13.748 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.763 -15.122 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.616 -13.592 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.887 -15.574 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.951 -14.167 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.947 -15.456 -8.954 1.00 0.00 H new ATOM 1231 N PRO A 79 10.723 -9.123 -8.887 1.00 0.00 N ATOM 1232 CA PRO A 79 10.373 -7.993 -9.752 1.00 0.00 C ATOM 1233 C PRO A 79 9.571 -8.425 -10.974 1.00 0.00 C ATOM 1234 O PRO A 79 9.665 -9.570 -11.416 1.00 0.00 O ATOM 1235 CB PRO A 79 11.734 -7.436 -10.176 1.00 0.00 C ATOM 1236 CG PRO A 79 12.668 -8.592 -10.067 1.00 0.00 C ATOM 1237 CD PRO A 79 12.165 -9.423 -8.920 1.00 0.00 C ATOM 0 HA PRO A 79 9.741 -7.268 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.703 -7.047 -11.194 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.044 -6.614 -9.530 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.683 -9.170 -10.991 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.688 -8.254 -9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.351 -10.485 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.653 -9.153 -7.984 1.00 0.00 H new ATOM 1245 N GLN A 80 8.782 -7.502 -11.515 1.00 0.00 N ATOM 1246 CA GLN A 80 7.963 -7.790 -12.687 1.00 0.00 C ATOM 1247 C GLN A 80 6.856 -8.783 -12.347 1.00 0.00 C ATOM 1248 O GLN A 80 6.385 -9.520 -13.212 1.00 0.00 O ATOM 1249 CB GLN A 80 8.831 -8.343 -13.819 1.00 0.00 C ATOM 1250 CG GLN A 80 10.077 -7.516 -14.090 1.00 0.00 C ATOM 1251 CD GLN A 80 10.734 -7.865 -15.411 1.00 0.00 C ATOM 1252 OE1 GLN A 80 11.033 -9.029 -15.680 1.00 0.00 O ATOM 1253 NE2 GLN A 80 10.961 -6.856 -16.244 1.00 0.00 N ATOM 0 H GLN A 80 8.693 -6.550 -11.161 1.00 0.00 H new ATOM 0 HA GLN A 80 7.502 -6.858 -13.015 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.128 -9.362 -13.573 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.235 -8.396 -14.730 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.814 -6.458 -14.088 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.792 -7.668 -13.282 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.697 -5.907 -15.980 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.400 -7.030 -17.148 1.00 0.00 H new ATOM 1262 N GLU A 81 6.447 -8.795 -11.083 1.00 0.00 N ATOM 1263 CA GLU A 81 5.396 -9.699 -10.630 1.00 0.00 C ATOM 1264 C GLU A 81 4.172 -8.918 -10.160 1.00 0.00 C ATOM 1265 O GLU A 81 4.237 -7.706 -9.955 1.00 0.00 O ATOM 1266 CB GLU A 81 5.912 -10.589 -9.497 1.00 0.00 C ATOM 1267 CG GLU A 81 5.700 -9.998 -8.113 1.00 0.00 C ATOM 1268 CD GLU A 81 6.066 -10.964 -7.003 1.00 0.00 C ATOM 1269 OE1 GLU A 81 7.066 -11.696 -7.159 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.352 -10.987 -5.979 1.00 0.00 O ATOM 0 H GLU A 81 6.827 -8.190 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 81 5.104 -10.327 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.412 -11.556 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.976 -10.771 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.299 -9.092 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.656 -9.704 -8.004 1.00 0.00 H new ATOM 1277 N ILE A 82 3.057 -9.622 -9.994 1.00 0.00 N ATOM 1278 CA ILE A 82 1.819 -8.996 -9.549 1.00 0.00 C ATOM 1279 C ILE A 82 1.461 -9.430 -8.131 1.00 0.00 C ATOM 1280 O ILE A 82 1.583 -10.604 -7.781 1.00 0.00 O ATOM 1281 CB ILE A 82 0.647 -9.335 -10.489 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.989 -8.944 -11.928 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.621 -8.631 -10.030 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.151 -9.660 -12.964 1.00 0.00 C ATOM 0 H ILE A 82 2.986 -10.626 -10.161 1.00 0.00 H new ATOM 0 HA ILE A 82 1.987 -7.919 -9.565 1.00 0.00 H new ATOM 0 HB ILE A 82 0.474 -10.411 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.856 -7.868 -12.045 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.042 -9.157 -12.113 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.440 -8.881 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.871 -8.954 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.461 -7.553 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.448 -9.334 -13.961 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.302 -10.736 -12.874 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.902 -9.427 -12.805 1.00 0.00 H new ATOM 1296 N VAL A 83 1.017 -8.476 -7.320 1.00 0.00 N ATOM 1297 CA VAL A 83 0.639 -8.760 -5.941 1.00 0.00 C ATOM 1298 C VAL A 83 -0.653 -8.042 -5.566 1.00 0.00 C ATOM 1299 O VAL A 83 -1.269 -7.378 -6.400 1.00 0.00 O ATOM 1300 CB VAL A 83 1.748 -8.343 -4.957 1.00 0.00 C ATOM 1301 CG1 VAL A 83 3.076 -8.970 -5.353 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.862 -6.827 -4.894 1.00 0.00 C ATOM 0 H VAL A 83 0.910 -7.499 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 83 0.487 -9.837 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 83 1.484 -8.706 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.848 -8.664 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.983 -10.056 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.350 -8.640 -6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.650 -6.550 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.103 -6.439 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.915 -6.404 -4.559 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.057 -8.179 -4.308 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.276 -7.543 -3.823 1.00 0.00 C ATOM 1314 C GLN A 84 -2.132 -7.132 -2.362 1.00 0.00 C ATOM 1315 O GLN A 84 -1.948 -7.975 -1.484 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.468 -8.489 -3.984 1.00 0.00 C ATOM 1317 CG GLN A 84 -4.813 -7.817 -3.757 1.00 0.00 C ATOM 1318 CD GLN A 84 -5.980 -8.761 -3.968 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.132 -9.749 -3.249 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -6.812 -8.462 -4.959 1.00 0.00 N ATOM 0 H GLN A 84 -0.558 -8.725 -3.606 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.449 -6.646 -4.418 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.449 -8.916 -4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.362 -9.317 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.850 -7.421 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.910 -6.969 -4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.648 -7.633 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.615 -9.061 -5.149 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.216 -5.830 -2.108 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.096 -5.306 -0.752 1.00 0.00 C ATOM 1331 C VAL A 85 -3.265 -4.389 -0.412 1.00 0.00 C ATOM 1332 O VAL A 85 -3.795 -3.695 -1.279 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.778 -4.531 -0.565 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.413 -5.474 -0.642 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.660 -3.424 -1.603 1.00 0.00 C ATOM 0 H VAL A 85 -2.367 -5.119 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.103 -6.163 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.784 -4.073 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.335 -4.908 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.332 -6.227 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.427 -5.964 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.277 -2.886 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.676 -3.859 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.496 -2.733 -1.494 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.662 -4.391 0.857 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.769 -3.559 1.312 1.00 0.00 C ATOM 1347 C GLU A 86 -4.276 -2.462 2.251 1.00 0.00 C ATOM 1348 O GLU A 86 -3.423 -2.701 3.107 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.823 -4.415 2.019 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.754 -5.144 1.065 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.146 -6.420 0.517 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.522 -7.165 1.303 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -6.292 -6.675 -0.696 1.00 0.00 O ATOM 0 H GLU A 86 -3.233 -4.959 1.587 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.219 -3.089 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.320 -5.146 2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.415 -3.778 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.684 -5.382 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.010 -4.483 0.237 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.817 -1.260 2.083 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.432 -0.127 2.915 1.00 0.00 C ATOM 1362 C ILE A 87 -5.611 0.370 3.746 1.00 0.00 C ATOM 1363 O ILE A 87 -6.757 0.338 3.299 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.891 1.038 2.065 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.500 0.699 1.525 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.849 2.318 2.886 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.005 1.675 0.480 1.00 0.00 C ATOM 0 H ILE A 87 -5.523 -1.046 1.379 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.643 -0.478 3.580 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.561 1.194 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.793 0.676 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.520 -0.303 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.464 3.132 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.854 2.565 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.198 2.176 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.014 1.374 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.691 1.681 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.953 2.675 0.911 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.320 0.830 4.959 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.356 1.335 5.853 1.00 0.00 C ATOM 1381 C PHE A 88 -5.740 2.096 7.023 1.00 0.00 C ATOM 1382 O PHE A 88 -4.566 1.914 7.347 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.215 0.182 6.375 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.506 -0.691 7.371 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.263 -0.239 8.658 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -6.082 -1.962 7.020 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.610 -1.040 9.576 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.429 -2.768 7.934 1.00 0.00 C ATOM 1389 CZ PHE A 88 -5.194 -2.306 9.214 1.00 0.00 C ATOM 0 H PHE A 88 -4.376 0.863 5.345 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.987 2.021 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.114 0.590 6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.538 -0.430 5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.587 0.750 8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.264 -2.328 6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.425 -0.676 10.576 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.103 -3.757 7.647 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.686 -2.934 9.931 1.00 0.00 H new ATOM 1399 N SER A 89 -6.540 2.950 7.653 1.00 0.00 N ATOM 1400 CA SER A 89 -6.074 3.743 8.785 1.00 0.00 C ATOM 1401 C SER A 89 -6.582 3.162 10.101 1.00 0.00 C ATOM 1402 O SER A 89 -7.762 2.837 10.236 1.00 0.00 O ATOM 1403 CB SER A 89 -6.535 5.194 8.642 1.00 0.00 C ATOM 1404 OG SER A 89 -5.781 6.053 9.481 1.00 0.00 O ATOM 0 H SER A 89 -7.515 3.111 7.399 1.00 0.00 H new ATOM 0 HA SER A 89 -4.984 3.715 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.432 5.511 7.604 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.593 5.270 8.895 1.00 0.00 H new ATOM 0 HG SER A 89 -5.586 6.887 9.005 1.00 0.00 H new ATOM 1410 N THR A 90 -5.682 3.034 11.071 1.00 0.00 N ATOM 1411 CA THR A 90 -6.038 2.492 12.377 1.00 0.00 C ATOM 1412 C THR A 90 -7.109 3.342 13.051 1.00 0.00 C ATOM 1413 O THR A 90 -8.043 2.815 13.654 1.00 0.00 O ATOM 1414 CB THR A 90 -4.809 2.405 13.302 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.225 3.702 13.464 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.774 1.444 12.738 1.00 0.00 C ATOM 0 H THR A 90 -4.701 3.298 10.977 1.00 0.00 H new ATOM 0 HA THR A 90 -6.428 1.488 12.208 1.00 0.00 H new ATOM 0 HB THR A 90 -5.138 2.031 14.272 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.776 3.965 12.634 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.916 1.399 13.408 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.213 0.451 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.451 1.792 11.757 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.967 4.659 12.945 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.923 5.582 13.546 1.00 0.00 C ATOM 1426 C ASN A 91 -8.505 6.522 12.495 1.00 0.00 C ATOM 1427 O ASN A 91 -7.999 7.620 12.260 1.00 0.00 O ATOM 1428 CB ASN A 91 -7.253 6.392 14.657 1.00 0.00 C ATOM 1429 CG ASN A 91 -8.224 6.784 15.754 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -8.529 5.988 16.641 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -8.715 8.016 15.696 1.00 0.00 N ATOM 0 H ASN A 91 -6.199 5.111 12.449 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.736 4.996 13.974 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.439 5.809 15.088 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.809 7.291 14.230 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.374 8.336 16.406 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.434 8.642 14.942 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.594 6.084 11.847 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.270 6.872 10.811 1.00 0.00 C ATOM 1440 C PRO A 92 -10.981 8.093 11.384 1.00 0.00 C ATOM 1441 O PRO A 92 -11.325 9.022 10.653 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.285 5.888 10.223 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.544 4.912 11.318 1.00 0.00 C ATOM 1444 CD PRO A 92 -10.251 4.786 12.076 1.00 0.00 C ATOM 0 HA PRO A 92 -9.568 7.270 10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.201 6.397 9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.889 5.393 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.346 5.260 11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.856 3.948 10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.423 4.604 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.646 3.958 11.705 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.199 8.085 12.694 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.869 9.193 13.365 1.00 0.00 C ATOM 1454 C ASP A 93 -10.989 10.440 13.364 1.00 0.00 C ATOM 1455 O ASP A 93 -11.488 11.564 13.301 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.226 8.807 14.801 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.465 7.936 14.875 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.583 8.487 14.796 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -13.316 6.704 15.011 1.00 0.00 O ATOM 0 H ASP A 93 -10.921 7.323 13.313 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.786 9.416 12.819 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.386 8.278 15.252 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.385 9.711 15.388 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.679 10.233 13.436 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.729 11.340 13.444 1.00 0.00 C ATOM 1466 C LEU A 94 -8.140 11.563 12.055 1.00 0.00 C ATOM 1467 O LEU A 94 -8.103 12.690 11.559 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.608 11.068 14.449 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.936 11.352 15.915 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.900 10.715 16.827 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -8.017 12.852 16.162 1.00 0.00 C ATOM 0 H LEU A 94 -9.250 9.309 13.490 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.263 12.243 13.740 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.313 10.022 14.360 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.742 11.668 14.168 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.908 10.913 16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.150 10.928 17.866 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.891 9.636 16.670 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.915 11.123 16.600 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.251 13.036 17.211 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.060 13.313 15.918 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.798 13.282 15.535 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.683 10.483 11.432 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.095 10.561 10.100 1.00 0.00 C ATOM 1485 C TYR A 95 -7.771 9.577 9.148 1.00 0.00 C ATOM 1486 O TYR A 95 -7.265 8.488 8.879 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.594 10.276 10.164 1.00 0.00 C ATOM 1488 CG TYR A 95 -4.867 11.090 11.210 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.814 10.669 12.533 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.233 12.280 10.876 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.152 11.410 13.493 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -3.568 13.028 11.828 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.530 12.589 13.135 1.00 0.00 C ATOM 1494 OH TYR A 95 -2.868 13.329 14.088 1.00 0.00 O ATOM 0 H TYR A 95 -7.708 9.543 11.828 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.250 11.571 9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.442 9.216 10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.153 10.477 9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.299 9.746 12.816 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.261 12.627 9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.121 11.069 14.517 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.081 13.951 11.551 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.484 14.129 13.672 1.00 0.00 H new ATOM 1504 N PRO A 96 -8.942 9.971 8.626 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.712 9.141 7.696 1.00 0.00 C ATOM 1506 C PRO A 96 -9.036 9.014 6.335 1.00 0.00 C ATOM 1507 O PRO A 96 -8.264 9.884 5.931 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.039 9.892 7.565 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.705 11.309 7.880 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.603 11.257 8.903 1.00 0.00 C ATOM 0 HA PRO A 96 -9.819 8.118 8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.451 9.796 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.786 9.499 8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.382 11.842 6.986 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.575 11.838 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.914 12.095 8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.996 11.297 9.919 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.330 7.925 5.631 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.752 7.686 4.315 1.00 0.00 C ATOM 1520 C VAL A 97 -9.690 8.154 3.209 1.00 0.00 C ATOM 1521 O VAL A 97 -10.806 7.653 3.074 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.433 6.194 4.105 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.788 5.972 2.745 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.535 5.679 5.220 1.00 0.00 C ATOM 0 H VAL A 97 -9.966 7.194 5.951 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.826 8.259 4.268 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.367 5.633 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.570 4.912 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.470 6.301 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.862 6.543 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.320 4.623 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.602 6.243 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.039 5.802 6.179 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.230 9.119 2.418 1.00 0.00 N ATOM 1535 CA ARG A 98 -10.029 9.656 1.324 1.00 0.00 C ATOM 1536 C ARG A 98 -9.718 8.931 0.017 1.00 0.00 C ATOM 1537 O ARG A 98 -8.883 8.027 -0.019 1.00 0.00 O ATOM 1538 CB ARG A 98 -9.768 11.155 1.161 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.586 11.473 0.261 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.119 12.909 0.441 1.00 0.00 C ATOM 1541 NE ARG A 98 -8.864 13.837 -0.406 1.00 0.00 N ATOM 1542 CZ ARG A 98 -8.560 15.124 -0.532 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -7.530 15.633 0.131 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -9.285 15.904 -1.323 1.00 0.00 N ATOM 0 H ARG A 98 -8.308 9.544 2.515 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.081 9.501 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.661 11.629 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.594 11.594 2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.765 10.792 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.865 11.308 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.234 13.199 1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.057 12.977 0.206 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.662 13.477 -0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.970 15.036 0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.298 16.621 0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.077 15.516 -1.835 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.051 16.892 -1.419 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.397 9.332 -1.052 1.00 0.00 N ATOM 1559 CA ARG A 99 -10.196 8.719 -2.360 1.00 0.00 C ATOM 1560 C ARG A 99 -9.242 9.554 -3.210 1.00 0.00 C ATOM 1561 O ARG A 99 -9.226 10.782 -3.119 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.534 8.560 -3.083 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.396 8.393 -4.588 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.522 7.547 -5.160 1.00 0.00 C ATOM 1565 NE ARG A 99 -12.414 7.398 -6.609 1.00 0.00 N ATOM 1566 CZ ARG A 99 -12.845 8.308 -7.476 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -13.410 9.426 -7.042 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -12.710 8.100 -8.779 1.00 0.00 N ATOM 0 H ARG A 99 -11.091 10.079 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.754 7.734 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.057 7.694 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.154 9.432 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.397 9.373 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.437 7.928 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.509 6.562 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.480 8.004 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.984 6.549 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.515 9.589 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.740 10.123 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.275 7.241 -9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.041 8.799 -9.444 1.00 0.00 H new