USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= -0.0208 X(o=-0.65,f=-1) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.63 K(o=-0.65,f=-3.1) USER MOD Single : A 16 THR OG1 : rot 45:sc= 0.893 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 166:sc= -0.481 (180deg=-1.05) USER MOD Single : A 32 SER OG : rot -160:sc= -0.598 USER MOD Single : A 33 SER OG : rot 9:sc= 0.68 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 140:sc= -0.79 USER MOD Single : A 44 MET CE :methyl -179:sc= -0.0939 (180deg=-0.094) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 46 ASN : amide:sc= 0.454 K(o=0.45,f=-0.2) USER MOD Single : A 51 ASN : amide:sc= -0.0549 K(o=-0.055,f=-0.85) USER MOD Single : A 54 THR OG1 : rot 68:sc=-0.00522 USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= -0.267! (180deg=-2.61) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0.112 (180deg=0.0188) USER MOD Single : A 76 HIS : no HE2:sc= 0.153 K(o=0.15,f=-0.57) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 28:sc= 0.674 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= 0.0131 (180deg=0.00254) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 173:sc= -0.834 (180deg=-0.898) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.715 -2.154 -5.303 1.00 0.00 N ATOM 191 CA THR A 16 -10.598 -1.123 -4.773 1.00 0.00 C ATOM 192 C THR A 16 -11.454 -1.665 -3.634 1.00 0.00 C ATOM 193 O THR A 16 -12.477 -2.310 -3.866 1.00 0.00 O ATOM 194 CB THR A 16 -11.521 -0.557 -5.868 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.311 -1.609 -6.436 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.710 0.121 -6.962 1.00 0.00 C ATOM 0 HA THR A 16 -9.960 -0.323 -4.396 1.00 0.00 H new ATOM 0 HB THR A 16 -12.177 0.184 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.667 -2.174 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.383 0.513 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.132 0.940 -6.532 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.032 -0.603 -7.414 1.00 0.00 H new ATOM 204 N ILE A 17 -11.030 -1.399 -2.403 1.00 0.00 N ATOM 205 CA ILE A 17 -11.759 -1.859 -1.228 1.00 0.00 C ATOM 206 C ILE A 17 -11.948 -0.729 -0.221 1.00 0.00 C ATOM 207 O ILE A 17 -10.983 -0.089 0.197 1.00 0.00 O ATOM 208 CB ILE A 17 -11.035 -3.030 -0.538 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.872 -4.201 -1.510 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.798 -3.468 0.703 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.733 -5.129 -1.152 1.00 0.00 C ATOM 0 H ILE A 17 -10.185 -0.867 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.734 -2.200 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.044 -2.695 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.800 -4.772 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.709 -3.809 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.273 -4.296 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.868 -2.633 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.801 -3.788 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.677 -5.935 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.796 -4.572 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.904 -5.550 -0.161 1.00 0.00 H new ATOM 223 N ILE A 18 -13.197 -0.490 0.165 1.00 0.00 N ATOM 224 CA ILE A 18 -13.512 0.560 1.125 1.00 0.00 C ATOM 225 C ILE A 18 -13.686 -0.012 2.528 1.00 0.00 C ATOM 226 O ILE A 18 -14.362 -1.023 2.719 1.00 0.00 O ATOM 227 CB ILE A 18 -14.792 1.319 0.730 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.620 1.973 -0.643 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.135 2.363 1.781 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.541 3.032 -0.676 1.00 0.00 C ATOM 0 H ILE A 18 -14.007 -1.010 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.672 1.254 1.120 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.615 0.607 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.384 1.202 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.567 2.421 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.042 2.891 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.295 1.873 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.314 3.074 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.474 3.452 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.785 3.823 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.584 2.585 -0.406 1.00 0.00 H new ATOM 242 N LEU A 19 -13.072 0.643 3.508 1.00 0.00 N ATOM 243 CA LEU A 19 -13.160 0.201 4.895 1.00 0.00 C ATOM 244 C LEU A 19 -14.184 1.028 5.666 1.00 0.00 C ATOM 245 O LEU A 19 -14.237 2.253 5.559 1.00 0.00 O ATOM 246 CB LEU A 19 -11.792 0.304 5.572 1.00 0.00 C ATOM 247 CG LEU A 19 -11.526 -0.689 6.703 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.541 -2.115 6.176 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.198 -0.383 7.381 1.00 0.00 C ATOM 0 H LEU A 19 -12.508 1.481 3.367 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.483 -0.840 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.022 0.173 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.680 1.313 5.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.320 -0.588 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.350 -2.808 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.516 -2.331 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.768 -2.230 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.025 -1.100 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.392 -0.454 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.224 0.625 7.795 1.00 0.00 H new ATOM 261 N PRO A 20 -15.018 0.344 6.464 1.00 0.00 N ATOM 262 CA PRO A 20 -16.054 0.995 7.270 1.00 0.00 C ATOM 263 C PRO A 20 -15.468 1.811 8.418 1.00 0.00 C ATOM 264 O PRO A 20 -14.251 1.923 8.552 1.00 0.00 O ATOM 265 CB PRO A 20 -16.872 -0.180 7.812 1.00 0.00 C ATOM 266 CG PRO A 20 -15.926 -1.331 7.815 1.00 0.00 C ATOM 267 CD PRO A 20 -15.012 -1.118 6.640 1.00 0.00 C ATOM 0 HA PRO A 20 -16.639 1.706 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.246 0.027 8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.739 -0.382 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.362 -1.370 8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.461 -2.276 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.009 -1.495 6.838 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.375 -1.631 5.750 1.00 0.00 H new ATOM 275 N GLU A 21 -16.344 2.378 9.242 1.00 0.00 N ATOM 276 CA GLU A 21 -15.912 3.184 10.378 1.00 0.00 C ATOM 277 C GLU A 21 -15.789 2.329 11.636 1.00 0.00 C ATOM 278 O GLU A 21 -15.685 2.851 12.746 1.00 0.00 O ATOM 279 CB GLU A 21 -16.894 4.331 10.621 1.00 0.00 C ATOM 280 CG GLU A 21 -18.296 3.866 10.979 1.00 0.00 C ATOM 281 CD GLU A 21 -19.243 5.021 11.243 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.548 5.767 10.289 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.681 5.177 12.402 1.00 0.00 O ATOM 0 H GLU A 21 -17.356 2.294 9.144 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.931 3.599 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.513 4.961 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.943 4.952 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.691 3.255 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.249 3.230 11.863 1.00 0.00 H new ATOM 290 N ASP A 22 -15.803 1.013 11.454 1.00 0.00 N ATOM 291 CA ASP A 22 -15.693 0.085 12.573 1.00 0.00 C ATOM 292 C ASP A 22 -14.269 -0.446 12.701 1.00 0.00 C ATOM 293 O ASP A 22 -13.921 -1.085 13.694 1.00 0.00 O ATOM 294 CB ASP A 22 -16.671 -1.078 12.397 1.00 0.00 C ATOM 295 CG ASP A 22 -16.794 -1.926 13.647 1.00 0.00 C ATOM 296 OD1 ASP A 22 -15.886 -2.745 13.900 1.00 0.00 O ATOM 297 OD2 ASP A 22 -17.798 -1.771 14.373 1.00 0.00 O ATOM 0 H ASP A 22 -15.889 0.565 10.542 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.943 0.625 13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.652 -0.686 12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.341 -1.704 11.568 1.00 0.00 H new ATOM 302 N ILE A 23 -13.450 -0.179 11.689 1.00 0.00 N ATOM 303 CA ILE A 23 -12.064 -0.630 11.689 1.00 0.00 C ATOM 304 C ILE A 23 -11.121 0.493 12.106 1.00 0.00 C ATOM 305 O ILE A 23 -11.378 1.665 11.835 1.00 0.00 O ATOM 306 CB ILE A 23 -11.642 -1.151 10.302 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.852 -1.722 9.558 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.554 -2.205 10.441 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.704 -2.640 10.405 1.00 0.00 C ATOM 0 H ILE A 23 -13.722 0.347 10.859 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.997 -1.444 12.410 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.243 -0.318 9.723 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.468 -0.898 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.504 -2.268 8.681 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.266 -2.564 9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.686 -1.769 10.936 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.929 -3.039 11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.543 -3.007 9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.103 -3.483 10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.082 -2.092 11.268 1.00 0.00 H new ATOM 321 N GLU A 24 -10.027 0.125 12.766 1.00 0.00 N ATOM 322 CA GLU A 24 -9.044 1.102 13.219 1.00 0.00 C ATOM 323 C GLU A 24 -7.808 1.086 12.324 1.00 0.00 C ATOM 324 O GLU A 24 -7.066 0.104 12.288 1.00 0.00 O ATOM 325 CB GLU A 24 -8.641 0.818 14.668 1.00 0.00 C ATOM 326 CG GLU A 24 -7.366 1.525 15.095 1.00 0.00 C ATOM 327 CD GLU A 24 -7.122 1.436 16.589 1.00 0.00 C ATOM 328 OE1 GLU A 24 -8.111 1.405 17.350 1.00 0.00 O ATOM 329 OE2 GLU A 24 -5.942 1.398 16.996 1.00 0.00 O ATOM 0 H GLU A 24 -9.799 -0.842 12.999 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.500 2.091 13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.453 1.122 15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.511 -0.257 14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.519 1.089 14.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.420 2.573 14.801 1.00 0.00 H new ATOM 336 N LEU A 25 -7.595 2.181 11.602 1.00 0.00 N ATOM 337 CA LEU A 25 -6.449 2.295 10.706 1.00 0.00 C ATOM 338 C LEU A 25 -5.222 2.806 11.453 1.00 0.00 C ATOM 339 O LEU A 25 -5.244 3.888 12.039 1.00 0.00 O ATOM 340 CB LEU A 25 -6.779 3.232 9.542 1.00 0.00 C ATOM 341 CG LEU A 25 -7.779 2.700 8.515 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.939 3.684 7.367 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.338 1.339 7.996 1.00 0.00 C ATOM 0 H LEU A 25 -8.200 3.002 11.619 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.225 1.303 10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.170 4.164 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.852 3.476 9.024 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.746 2.584 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.654 3.289 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.301 4.637 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.976 3.833 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.062 0.976 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.360 1.429 7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.276 0.636 8.826 1.00 0.00 H new ATOM 355 N LYS A 26 -4.150 2.020 11.427 1.00 0.00 N ATOM 356 CA LYS A 26 -2.911 2.393 12.098 1.00 0.00 C ATOM 357 C LYS A 26 -1.908 2.973 11.106 1.00 0.00 C ATOM 358 O LYS A 26 -1.809 2.536 9.959 1.00 0.00 O ATOM 359 CB LYS A 26 -2.303 1.179 12.803 1.00 0.00 C ATOM 360 CG LYS A 26 -3.131 0.677 13.973 1.00 0.00 C ATOM 361 CD LYS A 26 -2.966 -0.820 14.171 1.00 0.00 C ATOM 362 CE LYS A 26 -3.987 -1.605 13.361 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.744 -3.073 13.436 1.00 0.00 N ATOM 0 H LYS A 26 -4.115 1.120 10.948 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.145 3.157 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.184 0.372 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.306 1.438 13.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.833 1.200 14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.182 0.909 13.802 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.960 -1.118 13.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.074 -1.062 15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.989 -1.384 13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.950 -1.283 12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.460 -3.573 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.797 -3.288 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.805 -3.385 14.426 1.00 0.00 H new ATOM 377 N PRO A 27 -1.145 3.981 11.555 1.00 0.00 N ATOM 378 CA PRO A 27 -0.135 4.641 10.722 1.00 0.00 C ATOM 379 C PRO A 27 1.058 3.736 10.433 1.00 0.00 C ATOM 380 O PRO A 27 1.955 3.588 11.265 1.00 0.00 O ATOM 381 CB PRO A 27 0.296 5.839 11.571 1.00 0.00 C ATOM 382 CG PRO A 27 0.008 5.433 12.975 1.00 0.00 C ATOM 383 CD PRO A 27 -1.210 4.554 12.910 1.00 0.00 C ATOM 0 HA PRO A 27 -0.528 4.914 9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.354 6.062 11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.257 6.737 11.297 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.853 4.897 13.408 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.173 6.305 13.604 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.187 3.779 13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.126 5.125 13.061 1.00 0.00 H new ATOM 391 N LEU A 28 1.064 3.133 9.249 1.00 0.00 N ATOM 392 CA LEU A 28 2.149 2.243 8.850 1.00 0.00 C ATOM 393 C LEU A 28 3.438 3.025 8.618 1.00 0.00 C ATOM 394 O LEU A 28 4.507 2.631 9.081 1.00 0.00 O ATOM 395 CB LEU A 28 1.767 1.480 7.580 1.00 0.00 C ATOM 396 CG LEU A 28 2.928 1.026 6.695 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.541 -0.211 5.899 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.357 2.149 5.762 1.00 0.00 C ATOM 0 H LEU A 28 0.330 3.244 8.549 1.00 0.00 H new ATOM 0 HA LEU A 28 2.318 1.531 9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.191 0.601 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.108 2.112 6.985 1.00 0.00 H new ATOM 0 HG LEU A 28 3.771 0.771 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.380 -0.519 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.282 -1.018 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.683 0.017 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.184 1.809 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.518 2.435 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.676 3.009 6.351 1.00 0.00 H new ATOM 410 N GLY A 29 3.328 4.138 7.898 1.00 0.00 N ATOM 411 CA GLY A 29 4.492 4.959 7.619 1.00 0.00 C ATOM 412 C GLY A 29 4.157 6.169 6.769 1.00 0.00 C ATOM 413 O GLY A 29 3.170 6.859 7.022 1.00 0.00 O ATOM 0 H GLY A 29 2.454 4.485 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.933 5.290 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.244 4.357 7.109 1.00 0.00 H new ATOM 417 N MET A 30 4.982 6.429 5.761 1.00 0.00 N ATOM 418 CA MET A 30 4.769 7.565 4.872 1.00 0.00 C ATOM 419 C MET A 30 5.593 7.421 3.597 1.00 0.00 C ATOM 420 O MET A 30 6.750 7.002 3.638 1.00 0.00 O ATOM 421 CB MET A 30 5.131 8.871 5.582 1.00 0.00 C ATOM 422 CG MET A 30 4.652 10.114 4.851 1.00 0.00 C ATOM 423 SD MET A 30 5.126 11.639 5.689 1.00 0.00 S ATOM 424 CE MET A 30 6.898 11.630 5.433 1.00 0.00 C ATOM 0 H MET A 30 5.805 5.868 5.539 1.00 0.00 H new ATOM 0 HA MET A 30 3.714 7.588 4.600 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.702 8.861 6.584 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.213 8.923 5.699 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.061 10.117 3.841 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.567 10.079 4.755 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.305 12.614 5.668 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.356 10.884 6.082 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.114 11.387 4.393 1.00 0.00 H new ATOM 434 N VAL A 31 4.990 7.769 2.465 1.00 0.00 N ATOM 435 CA VAL A 31 5.669 7.679 1.178 1.00 0.00 C ATOM 436 C VAL A 31 7.018 8.388 1.217 1.00 0.00 C ATOM 437 O VAL A 31 7.116 9.535 1.652 1.00 0.00 O ATOM 438 CB VAL A 31 4.815 8.287 0.049 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.485 8.076 -1.300 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.416 7.688 0.058 1.00 0.00 C ATOM 0 H VAL A 31 4.032 8.116 2.413 1.00 0.00 H new ATOM 0 HA VAL A 31 5.824 6.619 0.976 1.00 0.00 H new ATOM 0 HB VAL A 31 4.728 9.360 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.867 8.512 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.464 8.556 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.605 7.008 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.826 8.129 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.481 6.610 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.937 7.896 1.015 1.00 0.00 H new ATOM 450 N SER A 32 8.057 7.697 0.759 1.00 0.00 N ATOM 451 CA SER A 32 9.402 8.258 0.744 1.00 0.00 C ATOM 452 C SER A 32 9.947 8.329 -0.679 1.00 0.00 C ATOM 453 O SER A 32 10.752 9.200 -1.005 1.00 0.00 O ATOM 454 CB SER A 32 10.337 7.421 1.619 1.00 0.00 C ATOM 455 OG SER A 32 10.332 7.883 2.959 1.00 0.00 O ATOM 0 H SER A 32 7.993 6.747 0.393 1.00 0.00 H new ATOM 0 HA SER A 32 9.350 9.270 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.028 6.376 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.350 7.465 1.220 1.00 0.00 H new ATOM 0 HG SER A 32 11.138 7.566 3.417 1.00 0.00 H new ATOM 461 N SER A 33 9.500 7.404 -1.523 1.00 0.00 N ATOM 462 CA SER A 33 9.944 7.357 -2.911 1.00 0.00 C ATOM 463 C SER A 33 8.915 6.650 -3.788 1.00 0.00 C ATOM 464 O SER A 33 7.980 6.025 -3.285 1.00 0.00 O ATOM 465 CB SER A 33 11.294 6.643 -3.013 1.00 0.00 C ATOM 466 OG SER A 33 12.329 7.425 -2.442 1.00 0.00 O ATOM 0 H SER A 33 8.831 6.677 -1.270 1.00 0.00 H new ATOM 0 HA SER A 33 10.055 8.382 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.239 5.680 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.523 6.439 -4.059 1.00 0.00 H new ATOM 0 HG SER A 33 11.939 8.193 -1.975 1.00 0.00 H new ATOM 472 N ILE A 34 9.093 6.754 -5.100 1.00 0.00 N ATOM 473 CA ILE A 34 8.181 6.125 -6.047 1.00 0.00 C ATOM 474 C ILE A 34 8.947 5.420 -7.162 1.00 0.00 C ATOM 475 O ILE A 34 9.871 5.985 -7.747 1.00 0.00 O ATOM 476 CB ILE A 34 7.219 7.153 -6.671 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.147 7.561 -5.658 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.579 6.585 -7.928 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.536 8.754 -4.813 1.00 0.00 C ATOM 0 H ILE A 34 9.861 7.268 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 34 7.601 5.391 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 34 7.788 8.041 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.224 7.789 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.937 6.715 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.902 7.324 -8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.355 6.340 -8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.020 5.684 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.729 8.986 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.442 8.523 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.718 9.613 -5.458 1.00 0.00 H new ATOM 491 N ILE A 35 8.554 4.184 -7.452 1.00 0.00 N ATOM 492 CA ILE A 35 9.201 3.403 -8.498 1.00 0.00 C ATOM 493 C ILE A 35 8.568 3.676 -9.859 1.00 0.00 C ATOM 494 O ILE A 35 7.419 4.109 -9.943 1.00 0.00 O ATOM 495 CB ILE A 35 9.126 1.894 -8.203 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.855 1.571 -6.897 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.717 1.098 -9.357 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.507 0.212 -6.330 1.00 0.00 C ATOM 0 H ILE A 35 7.791 3.702 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 35 10.247 3.709 -8.518 1.00 0.00 H new ATOM 0 HB ILE A 35 8.079 1.612 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.930 1.619 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.616 2.336 -6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.657 0.033 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.158 1.309 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.760 1.381 -9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.060 0.051 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.437 0.166 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.772 -0.562 -7.051 1.00 0.00 H new ATOM 510 N GLU A 36 9.324 3.416 -10.920 1.00 0.00 N ATOM 511 CA GLU A 36 8.835 3.632 -12.277 1.00 0.00 C ATOM 512 C GLU A 36 7.340 3.343 -12.369 1.00 0.00 C ATOM 513 O GLU A 36 6.598 4.067 -13.033 1.00 0.00 O ATOM 514 CB GLU A 36 9.599 2.748 -13.265 1.00 0.00 C ATOM 515 CG GLU A 36 11.079 3.076 -13.358 1.00 0.00 C ATOM 516 CD GLU A 36 11.381 4.118 -14.417 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.816 4.019 -15.526 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.182 5.034 -14.136 1.00 0.00 O ATOM 0 H GLU A 36 10.277 3.056 -10.867 1.00 0.00 H new ATOM 0 HA GLU A 36 9.001 4.678 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.485 1.705 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.150 2.850 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.429 3.435 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.636 2.166 -13.580 1.00 0.00 H new ATOM 525 N GLN A 37 6.906 2.281 -11.699 1.00 0.00 N ATOM 526 CA GLN A 37 5.500 1.895 -11.706 1.00 0.00 C ATOM 527 C GLN A 37 4.983 1.693 -10.286 1.00 0.00 C ATOM 528 O GLN A 37 3.843 2.038 -9.973 1.00 0.00 O ATOM 529 CB GLN A 37 5.304 0.615 -12.520 1.00 0.00 C ATOM 530 CG GLN A 37 6.422 -0.399 -12.337 1.00 0.00 C ATOM 531 CD GLN A 37 6.526 -1.370 -13.496 1.00 0.00 C ATOM 532 OE1 GLN A 37 5.531 -1.963 -13.915 1.00 0.00 O ATOM 533 NE2 GLN A 37 7.733 -1.538 -14.022 1.00 0.00 N ATOM 0 H GLN A 37 7.508 1.672 -11.144 1.00 0.00 H new ATOM 0 HA GLN A 37 4.931 2.702 -12.168 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.357 0.155 -12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.229 0.874 -13.576 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.370 0.128 -12.223 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.254 -0.956 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.530 -1.026 -13.644 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.864 -2.179 -14.805 1.00 0.00 H new ATOM 542 N LEU A 38 5.829 1.131 -9.429 1.00 0.00 N ATOM 543 CA LEU A 38 5.458 0.883 -8.040 1.00 0.00 C ATOM 544 C LEU A 38 5.745 2.104 -7.172 1.00 0.00 C ATOM 545 O LEU A 38 6.307 3.094 -7.642 1.00 0.00 O ATOM 546 CB LEU A 38 6.215 -0.331 -7.499 1.00 0.00 C ATOM 547 CG LEU A 38 6.060 -1.628 -8.293 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.737 -1.639 -9.044 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.223 -1.806 -9.258 1.00 0.00 C ATOM 0 H LEU A 38 6.776 0.839 -9.671 1.00 0.00 H new ATOM 0 HA LEU A 38 4.387 0.681 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.275 -0.082 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.885 -0.513 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 38 6.065 -2.463 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.644 -2.570 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.914 -1.559 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.703 -0.796 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.095 -2.735 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.250 -0.967 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.158 -1.844 -8.698 1.00 0.00 H new ATOM 561 N VAL A 39 5.358 2.026 -5.903 1.00 0.00 N ATOM 562 CA VAL A 39 5.577 3.124 -4.969 1.00 0.00 C ATOM 563 C VAL A 39 6.341 2.652 -3.736 1.00 0.00 C ATOM 564 O VAL A 39 6.145 1.532 -3.263 1.00 0.00 O ATOM 565 CB VAL A 39 4.245 3.755 -4.522 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.497 4.942 -3.606 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.421 4.170 -5.732 1.00 0.00 C ATOM 0 H VAL A 39 4.891 1.214 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 39 6.168 3.874 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 39 3.679 3.010 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.544 5.375 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.045 4.611 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.083 5.693 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.483 4.614 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.979 4.899 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.210 3.295 -6.346 1.00 0.00 H new ATOM 577 N ILE A 40 7.211 3.514 -3.221 1.00 0.00 N ATOM 578 CA ILE A 40 8.004 3.186 -2.043 1.00 0.00 C ATOM 579 C ILE A 40 7.485 3.917 -0.810 1.00 0.00 C ATOM 580 O ILE A 40 7.382 5.144 -0.802 1.00 0.00 O ATOM 581 CB ILE A 40 9.489 3.537 -2.248 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.017 2.890 -3.530 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.310 3.092 -1.046 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.198 1.392 -3.420 1.00 0.00 C ATOM 0 H ILE A 40 7.385 4.445 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 40 7.912 2.111 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 40 9.581 4.619 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.328 3.106 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.973 3.345 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.358 3.347 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.947 3.596 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.215 2.014 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.575 1.001 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.910 1.169 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.240 0.926 -3.190 1.00 0.00 H new ATOM 596 N ILE A 41 7.161 3.157 0.230 1.00 0.00 N ATOM 597 CA ILE A 41 6.655 3.734 1.470 1.00 0.00 C ATOM 598 C ILE A 41 7.578 3.414 2.641 1.00 0.00 C ATOM 599 O ILE A 41 7.853 2.249 2.927 1.00 0.00 O ATOM 600 CB ILE A 41 5.239 3.222 1.792 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.309 3.442 0.597 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.693 3.918 3.030 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.208 2.411 0.490 1.00 0.00 C ATOM 0 H ILE A 41 7.240 2.140 0.239 1.00 0.00 H new ATOM 0 HA ILE A 41 6.617 4.814 1.324 1.00 0.00 H new ATOM 0 HB ILE A 41 5.293 2.152 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.861 4.433 0.673 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.899 3.428 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.691 3.546 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.346 3.715 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.650 4.993 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.588 2.630 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.647 1.419 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.594 2.440 1.390 1.00 0.00 H new ATOM 615 N GLU A 42 8.051 4.457 3.316 1.00 0.00 N ATOM 616 CA GLU A 42 8.943 4.287 4.457 1.00 0.00 C ATOM 617 C GLU A 42 8.147 4.094 5.745 1.00 0.00 C ATOM 618 O GLU A 42 7.044 4.622 5.890 1.00 0.00 O ATOM 619 CB GLU A 42 9.870 5.496 4.594 1.00 0.00 C ATOM 620 CG GLU A 42 10.617 5.544 5.916 1.00 0.00 C ATOM 621 CD GLU A 42 11.398 6.831 6.098 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.765 7.906 6.149 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.642 6.763 6.189 1.00 0.00 O ATOM 0 H GLU A 42 7.832 5.428 3.093 1.00 0.00 H new ATOM 0 HA GLU A 42 9.545 3.395 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.593 5.483 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.283 6.408 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.906 5.436 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.301 4.697 5.974 1.00 0.00 H new ATOM 630 N SER A 43 8.714 3.335 6.676 1.00 0.00 N ATOM 631 CA SER A 43 8.056 3.068 7.950 1.00 0.00 C ATOM 632 C SER A 43 8.615 3.968 9.049 1.00 0.00 C ATOM 633 O SER A 43 9.551 4.734 8.822 1.00 0.00 O ATOM 634 CB SER A 43 8.231 1.600 8.341 1.00 0.00 C ATOM 635 OG SER A 43 9.475 1.387 8.984 1.00 0.00 O ATOM 0 H SER A 43 9.628 2.894 6.573 1.00 0.00 H new ATOM 0 HA SER A 43 6.994 3.282 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.420 1.298 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.166 0.974 7.451 1.00 0.00 H new ATOM 0 HG SER A 43 9.355 0.762 9.729 1.00 0.00 H new ATOM 641 N MET A 44 8.033 3.869 10.239 1.00 0.00 N ATOM 642 CA MET A 44 8.472 4.673 11.374 1.00 0.00 C ATOM 643 C MET A 44 8.861 3.785 12.551 1.00 0.00 C ATOM 644 O MET A 44 10.040 3.655 12.882 1.00 0.00 O ATOM 645 CB MET A 44 7.368 5.645 11.796 1.00 0.00 C ATOM 646 CG MET A 44 6.622 6.262 10.624 1.00 0.00 C ATOM 647 SD MET A 44 7.389 7.784 10.036 1.00 0.00 S ATOM 648 CE MET A 44 6.741 7.867 8.368 1.00 0.00 C ATOM 0 H MET A 44 7.256 3.240 10.443 1.00 0.00 H new ATOM 0 HA MET A 44 9.349 5.243 11.066 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.657 5.120 12.433 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.807 6.442 12.397 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.579 5.542 9.807 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.594 6.469 10.921 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.140 8.748 7.866 1.00 0.00 H new ATOM 0 HE2 MET A 44 7.035 6.972 7.819 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.653 7.931 8.403 1.00 0.00 H new ATOM 658 N THR A 45 7.862 3.174 13.181 1.00 0.00 N ATOM 659 CA THR A 45 8.100 2.299 14.323 1.00 0.00 C ATOM 660 C THR A 45 6.805 1.652 14.799 1.00 0.00 C ATOM 661 O THR A 45 5.718 2.016 14.352 1.00 0.00 O ATOM 662 CB THR A 45 8.739 3.067 15.496 1.00 0.00 C ATOM 663 OG1 THR A 45 8.846 2.213 16.640 1.00 0.00 O ATOM 664 CG2 THR A 45 7.915 4.296 15.850 1.00 0.00 C ATOM 0 H THR A 45 6.881 3.269 12.920 1.00 0.00 H new ATOM 0 HA THR A 45 8.789 1.523 13.989 1.00 0.00 H new ATOM 0 HB THR A 45 9.734 3.391 15.191 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.255 2.708 17.381 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.385 4.822 16.681 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.859 4.958 14.986 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.909 3.989 16.138 1.00 0.00 H new ATOM 672 N ASN A 46 6.928 0.692 15.709 1.00 0.00 N ATOM 673 CA ASN A 46 5.766 -0.006 16.247 1.00 0.00 C ATOM 674 C ASN A 46 4.956 -0.656 15.128 1.00 0.00 C ATOM 675 O ASN A 46 3.745 -0.841 15.250 1.00 0.00 O ATOM 676 CB ASN A 46 4.882 0.964 17.034 1.00 0.00 C ATOM 677 CG ASN A 46 4.099 0.271 18.133 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.480 0.314 19.303 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.999 -0.373 17.760 1.00 0.00 N ATOM 0 H ASN A 46 7.821 0.379 16.090 1.00 0.00 H new ATOM 0 HA ASN A 46 6.121 -0.789 16.917 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.504 1.745 17.472 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.188 1.455 16.351 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.432 -0.859 18.455 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.721 -0.382 16.779 1.00 0.00 H new ATOM 686 N LEU A 47 5.634 -1.001 14.039 1.00 0.00 N ATOM 687 CA LEU A 47 4.979 -1.631 12.898 1.00 0.00 C ATOM 688 C LEU A 47 4.817 -3.131 13.124 1.00 0.00 C ATOM 689 O LEU A 47 5.766 -3.839 13.464 1.00 0.00 O ATOM 690 CB LEU A 47 5.782 -1.380 11.621 1.00 0.00 C ATOM 691 CG LEU A 47 5.431 -0.109 10.847 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.249 1.068 11.353 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.654 -0.314 9.355 1.00 0.00 C ATOM 0 H LEU A 47 6.637 -0.855 13.922 1.00 0.00 H new ATOM 0 HA LEU A 47 3.989 -1.189 12.789 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.840 -1.342 11.882 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.648 -2.234 10.957 1.00 0.00 H new ATOM 0 HG LEU A 47 4.376 0.112 11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.985 1.963 10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.039 1.229 12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.310 0.857 11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.399 0.601 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.700 -0.561 9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.023 -1.129 9.001 1.00 0.00 H new ATOM 705 N PRO A 48 3.588 -3.630 12.928 1.00 0.00 N ATOM 706 CA PRO A 48 3.273 -5.051 13.102 1.00 0.00 C ATOM 707 C PRO A 48 3.905 -5.921 12.020 1.00 0.00 C ATOM 708 O PRO A 48 4.224 -5.458 10.925 1.00 0.00 O ATOM 709 CB PRO A 48 1.747 -5.092 12.997 1.00 0.00 C ATOM 710 CG PRO A 48 1.391 -3.897 12.182 1.00 0.00 C ATOM 711 CD PRO A 48 2.410 -2.845 12.522 1.00 0.00 C ATOM 0 HA PRO A 48 3.659 -5.442 14.043 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.408 -6.012 12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.281 -5.053 13.982 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.412 -4.131 11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.383 -3.553 12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.628 -2.206 11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.064 -2.195 13.326 1.00 0.00 H new ATOM 719 N PRO A 49 4.089 -7.213 12.331 1.00 0.00 N ATOM 720 CA PRO A 49 4.683 -8.175 11.398 1.00 0.00 C ATOM 721 C PRO A 49 3.762 -8.487 10.223 1.00 0.00 C ATOM 722 O PRO A 49 3.085 -9.516 10.209 1.00 0.00 O ATOM 723 CB PRO A 49 4.893 -9.422 12.260 1.00 0.00 C ATOM 724 CG PRO A 49 3.881 -9.305 13.347 1.00 0.00 C ATOM 725 CD PRO A 49 3.732 -7.834 13.617 1.00 0.00 C ATOM 0 HA PRO A 49 5.599 -7.793 10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.748 -10.333 11.680 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.905 -9.459 12.663 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.931 -9.744 13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.207 -9.835 14.242 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.715 -7.581 13.916 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.392 -7.504 14.419 1.00 0.00 H new ATOM 733 N VAL A 50 3.741 -7.594 9.239 1.00 0.00 N ATOM 734 CA VAL A 50 2.904 -7.776 8.059 1.00 0.00 C ATOM 735 C VAL A 50 3.724 -8.277 6.875 1.00 0.00 C ATOM 736 O VAL A 50 4.871 -7.872 6.687 1.00 0.00 O ATOM 737 CB VAL A 50 2.199 -6.465 7.664 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.875 -6.328 8.399 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.099 -5.271 7.943 1.00 0.00 C ATOM 0 H VAL A 50 4.294 -6.737 9.235 1.00 0.00 H new ATOM 0 HA VAL A 50 2.151 -8.521 8.316 1.00 0.00 H new ATOM 0 HB VAL A 50 1.992 -6.493 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.392 -5.396 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.228 -7.168 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.055 -6.322 9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.585 -4.353 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.339 -5.237 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.019 -5.366 7.366 1.00 0.00 H new ATOM 749 N ASN A 51 3.128 -9.158 6.080 1.00 0.00 N ATOM 750 CA ASN A 51 3.803 -9.715 4.913 1.00 0.00 C ATOM 751 C ASN A 51 3.309 -9.052 3.631 1.00 0.00 C ATOM 752 O ASN A 51 2.474 -8.149 3.670 1.00 0.00 O ATOM 753 CB ASN A 51 3.577 -11.226 4.839 1.00 0.00 C ATOM 754 CG ASN A 51 4.445 -11.989 5.821 1.00 0.00 C ATOM 755 OD1 ASN A 51 5.607 -11.645 6.038 1.00 0.00 O ATOM 756 ND2 ASN A 51 3.883 -13.032 6.421 1.00 0.00 N ATOM 0 H ASN A 51 2.178 -9.502 6.222 1.00 0.00 H new ATOM 0 HA ASN A 51 4.870 -9.519 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.528 -11.444 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.787 -11.573 3.827 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.418 -13.584 7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.917 -13.281 6.211 1.00 0.00 H new ATOM 763 N GLU A 52 3.830 -9.508 2.496 1.00 0.00 N ATOM 764 CA GLU A 52 3.441 -8.959 1.203 1.00 0.00 C ATOM 765 C GLU A 52 1.927 -9.013 1.021 1.00 0.00 C ATOM 766 O GLU A 52 1.290 -8.000 0.736 1.00 0.00 O ATOM 767 CB GLU A 52 4.130 -9.724 0.071 1.00 0.00 C ATOM 768 CG GLU A 52 5.645 -9.624 0.101 1.00 0.00 C ATOM 769 CD GLU A 52 6.299 -10.296 -1.090 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.828 -10.080 -2.226 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.283 -11.038 -0.886 1.00 0.00 O ATOM 0 H GLU A 52 4.522 -10.256 2.446 1.00 0.00 H new ATOM 0 HA GLU A 52 3.756 -7.916 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.843 -10.774 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.768 -9.345 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.935 -8.574 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.017 -10.079 1.019 1.00 0.00 H new ATOM 778 N GLU A 53 1.360 -10.204 1.189 1.00 0.00 N ATOM 779 CA GLU A 53 -0.079 -10.391 1.042 1.00 0.00 C ATOM 780 C GLU A 53 -0.847 -9.282 1.755 1.00 0.00 C ATOM 781 O GLU A 53 -1.998 -8.996 1.425 1.00 0.00 O ATOM 782 CB GLU A 53 -0.498 -11.754 1.596 1.00 0.00 C ATOM 783 CG GLU A 53 -1.941 -12.117 1.292 1.00 0.00 C ATOM 784 CD GLU A 53 -2.923 -11.441 2.230 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.797 -11.633 3.458 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.815 -10.721 1.737 1.00 0.00 O ATOM 0 H GLU A 53 1.874 -11.052 1.427 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.318 -10.350 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.156 -12.522 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.351 -11.759 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.174 -11.836 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.062 -13.198 1.362 1.00 0.00 H new ATOM 793 N THR A 54 -0.202 -8.661 2.738 1.00 0.00 N ATOM 794 CA THR A 54 -0.824 -7.585 3.500 1.00 0.00 C ATOM 795 C THR A 54 -1.259 -6.445 2.587 1.00 0.00 C ATOM 796 O THR A 54 -0.505 -6.012 1.715 1.00 0.00 O ATOM 797 CB THR A 54 0.133 -7.032 4.574 1.00 0.00 C ATOM 798 OG1 THR A 54 0.586 -8.095 5.420 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.555 -5.967 5.414 1.00 0.00 C ATOM 0 H THR A 54 0.751 -8.885 3.025 1.00 0.00 H new ATOM 0 HA THR A 54 -1.701 -8.009 3.989 1.00 0.00 H new ATOM 0 HB THR A 54 0.987 -6.580 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.159 -8.701 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.140 -5.591 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.873 -5.146 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.425 -6.399 5.908 1.00 0.00 H new ATOM 807 N VAL A 55 -2.479 -5.960 2.794 1.00 0.00 N ATOM 808 CA VAL A 55 -3.014 -4.867 1.990 1.00 0.00 C ATOM 809 C VAL A 55 -2.749 -3.519 2.650 1.00 0.00 C ATOM 810 O VAL A 55 -2.710 -3.413 3.876 1.00 0.00 O ATOM 811 CB VAL A 55 -4.529 -5.027 1.763 1.00 0.00 C ATOM 812 CG1 VAL A 55 -5.054 -3.919 0.863 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.838 -6.395 1.174 1.00 0.00 C ATOM 0 H VAL A 55 -3.116 -6.307 3.512 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.504 -4.903 1.027 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.033 -4.949 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.126 -4.049 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.867 -2.952 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.546 -3.961 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.913 -6.491 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.324 -6.505 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.499 -7.171 1.860 1.00 0.00 H new ATOM 823 N ILE A 56 -2.567 -2.490 1.828 1.00 0.00 N ATOM 824 CA ILE A 56 -2.307 -1.147 2.333 1.00 0.00 C ATOM 825 C ILE A 56 -3.478 -0.214 2.040 1.00 0.00 C ATOM 826 O ILE A 56 -3.850 -0.012 0.884 1.00 0.00 O ATOM 827 CB ILE A 56 -1.026 -0.554 1.718 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.143 -1.526 1.885 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.703 0.787 2.361 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.395 -1.929 3.321 1.00 0.00 C ATOM 0 H ILE A 56 -2.595 -2.561 0.811 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.176 -1.234 3.412 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.191 -0.394 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.052 -2.421 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.046 -1.068 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.205 1.194 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.530 1.478 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.553 0.650 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.238 -2.619 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.622 -1.043 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.493 -2.416 3.723 1.00 0.00 H new ATOM 842 N PHE A 57 -4.053 0.353 3.095 1.00 0.00 N ATOM 843 CA PHE A 57 -5.180 1.267 2.952 1.00 0.00 C ATOM 844 C PHE A 57 -4.708 2.717 2.944 1.00 0.00 C ATOM 845 O PHE A 57 -3.758 3.077 3.640 1.00 0.00 O ATOM 846 CB PHE A 57 -6.185 1.051 4.085 1.00 0.00 C ATOM 847 CG PHE A 57 -7.021 -0.185 3.919 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.440 -1.442 3.971 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.388 -0.091 3.711 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.207 -2.582 3.817 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.160 -1.228 3.557 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.568 -2.474 3.611 1.00 0.00 C ATOM 0 H PHE A 57 -3.757 0.196 4.058 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.666 1.058 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.646 0.991 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.842 1.918 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.376 -1.532 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.856 0.882 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.742 -3.556 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.224 -1.141 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.169 -3.363 3.492 1.00 0.00 H new ATOM 862 N LYS A 58 -5.377 3.547 2.152 1.00 0.00 N ATOM 863 CA LYS A 58 -5.029 4.960 2.052 1.00 0.00 C ATOM 864 C LYS A 58 -5.670 5.759 3.182 1.00 0.00 C ATOM 865 O LYS A 58 -6.522 5.250 3.909 1.00 0.00 O ATOM 866 CB LYS A 58 -5.472 5.522 0.700 1.00 0.00 C ATOM 867 CG LYS A 58 -4.439 5.347 -0.400 1.00 0.00 C ATOM 868 CD LYS A 58 -5.093 5.238 -1.767 1.00 0.00 C ATOM 869 CE LYS A 58 -6.156 6.308 -1.964 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.797 6.214 -3.305 1.00 0.00 N ATOM 0 H LYS A 58 -6.165 3.265 1.569 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.946 5.048 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.398 5.032 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.694 6.583 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.750 6.192 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.848 4.452 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.333 5.331 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.543 4.252 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.917 6.210 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.706 7.293 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.732 7.134 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.310 5.491 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.797 5.951 -3.194 1.00 0.00 H new ATOM 884 N SER A 59 -5.255 7.014 3.322 1.00 0.00 N ATOM 885 CA SER A 59 -5.788 7.883 4.365 1.00 0.00 C ATOM 886 C SER A 59 -7.272 8.155 4.140 1.00 0.00 C ATOM 887 O SER A 59 -7.975 8.607 5.043 1.00 0.00 O ATOM 888 CB SER A 59 -5.016 9.204 4.401 1.00 0.00 C ATOM 889 OG SER A 59 -5.426 10.064 3.352 1.00 0.00 O ATOM 0 H SER A 59 -4.552 7.452 2.727 1.00 0.00 H new ATOM 0 HA SER A 59 -5.671 7.375 5.322 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.175 9.695 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.947 9.007 4.317 1.00 0.00 H new ATOM 0 HG SER A 59 -4.919 10.901 3.398 1.00 0.00 H new ATOM 895 N ASP A 60 -7.741 7.876 2.929 1.00 0.00 N ATOM 896 CA ASP A 60 -9.142 8.088 2.584 1.00 0.00 C ATOM 897 C ASP A 60 -9.936 6.792 2.713 1.00 0.00 C ATOM 898 O ASP A 60 -11.015 6.654 2.137 1.00 0.00 O ATOM 899 CB ASP A 60 -9.261 8.635 1.160 1.00 0.00 C ATOM 900 CG ASP A 60 -8.601 9.991 1.003 1.00 0.00 C ATOM 901 OD1 ASP A 60 -8.681 10.803 1.949 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.005 10.239 -0.065 1.00 0.00 O ATOM 0 H ASP A 60 -7.172 7.502 2.170 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.556 8.817 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.806 7.930 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.314 8.714 0.891 1.00 0.00 H new ATOM 907 N ARG A 61 -9.394 5.845 3.471 1.00 0.00 N ATOM 908 CA ARG A 61 -10.050 4.559 3.673 1.00 0.00 C ATOM 909 C ARG A 61 -10.252 3.836 2.344 1.00 0.00 C ATOM 910 O ARG A 61 -11.315 3.272 2.090 1.00 0.00 O ATOM 911 CB ARG A 61 -11.399 4.755 4.369 1.00 0.00 C ATOM 912 CG ARG A 61 -11.278 5.113 5.841 1.00 0.00 C ATOM 913 CD ARG A 61 -12.598 4.921 6.572 1.00 0.00 C ATOM 914 NE ARG A 61 -12.464 5.138 8.010 1.00 0.00 N ATOM 915 CZ ARG A 61 -12.448 6.341 8.573 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.557 7.429 7.824 1.00 0.00 N ATOM 917 NH2 ARG A 61 -12.323 6.456 9.889 1.00 0.00 N ATOM 0 H ARG A 61 -8.502 5.944 3.956 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.407 3.947 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.952 5.542 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.984 3.840 4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.510 4.494 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.954 6.149 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.339 5.611 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.969 3.912 6.391 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.378 4.321 8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.654 7.344 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.544 8.351 8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.239 5.621 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.311 7.380 10.321 1.00 0.00 H new ATOM 931 N GLN A 62 -9.224 3.859 1.502 1.00 0.00 N ATOM 932 CA GLN A 62 -9.289 3.207 0.200 1.00 0.00 C ATOM 933 C GLN A 62 -8.078 2.307 -0.020 1.00 0.00 C ATOM 934 O GLN A 62 -6.939 2.771 -0.018 1.00 0.00 O ATOM 935 CB GLN A 62 -9.371 4.253 -0.914 1.00 0.00 C ATOM 936 CG GLN A 62 -10.793 4.655 -1.268 1.00 0.00 C ATOM 937 CD GLN A 62 -10.857 5.960 -2.037 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.548 7.061 -1.362 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.179 5.978 -3.225 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.337 4.322 1.698 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.187 2.589 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.817 5.141 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.880 3.862 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.253 3.865 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.379 4.748 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.408 5.107 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.216 6.863 -3.730 1.00 0.00 H new ATOM 948 N ALA A 63 -8.333 1.016 -0.208 1.00 0.00 N ATOM 949 CA ALA A 63 -7.264 0.051 -0.431 1.00 0.00 C ATOM 950 C ALA A 63 -6.404 0.450 -1.625 1.00 0.00 C ATOM 951 O ALA A 63 -6.746 0.161 -2.772 1.00 0.00 O ATOM 952 CB ALA A 63 -7.844 -1.341 -0.636 1.00 0.00 C ATOM 0 H ALA A 63 -9.271 0.615 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.627 0.040 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.034 -2.052 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.409 -1.634 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.505 -1.336 -1.503 1.00 0.00 H new ATOM 958 N ALA A 64 -5.288 1.115 -1.349 1.00 0.00 N ATOM 959 CA ALA A 64 -4.379 1.552 -2.401 1.00 0.00 C ATOM 960 C ALA A 64 -3.819 0.362 -3.173 1.00 0.00 C ATOM 961 O ALA A 64 -3.625 0.432 -4.386 1.00 0.00 O ATOM 962 CB ALA A 64 -3.246 2.380 -1.810 1.00 0.00 C ATOM 0 H ALA A 64 -4.991 1.363 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.942 2.172 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.575 2.700 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.658 3.256 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.693 1.778 -1.090 1.00 0.00 H new ATOM 968 N GLY A 65 -3.562 -0.731 -2.461 1.00 0.00 N ATOM 969 CA GLY A 65 -3.026 -1.921 -3.096 1.00 0.00 C ATOM 970 C GLY A 65 -2.237 -2.787 -2.134 1.00 0.00 C ATOM 971 O GLY A 65 -1.879 -2.347 -1.042 1.00 0.00 O ATOM 0 H GLY A 65 -3.715 -0.814 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.845 -2.504 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.384 -1.628 -3.926 1.00 0.00 H new ATOM 975 N LYS A 66 -1.966 -4.023 -2.539 1.00 0.00 N ATOM 976 CA LYS A 66 -1.214 -4.954 -1.706 1.00 0.00 C ATOM 977 C LYS A 66 0.287 -4.766 -1.899 1.00 0.00 C ATOM 978 O LYS A 66 0.737 -4.331 -2.959 1.00 0.00 O ATOM 979 CB LYS A 66 -1.605 -6.396 -2.037 1.00 0.00 C ATOM 980 CG LYS A 66 -2.776 -6.912 -1.218 1.00 0.00 C ATOM 981 CD LYS A 66 -3.035 -8.386 -1.482 1.00 0.00 C ATOM 982 CE LYS A 66 -4.490 -8.750 -1.231 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.713 -10.220 -1.295 1.00 0.00 N ATOM 0 H LYS A 66 -2.256 -4.404 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.457 -4.748 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.856 -6.462 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.744 -7.044 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.574 -6.761 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.670 -6.336 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.772 -8.624 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.392 -8.990 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.793 -8.379 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.121 -8.255 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.713 -10.410 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.115 -10.630 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.467 -10.649 -0.380 1.00 0.00 H new ATOM 997 N ILE A 67 1.057 -5.098 -0.868 1.00 0.00 N ATOM 998 CA ILE A 67 2.508 -4.968 -0.926 1.00 0.00 C ATOM 999 C ILE A 67 3.090 -5.804 -2.061 1.00 0.00 C ATOM 1000 O ILE A 67 2.817 -7.000 -2.169 1.00 0.00 O ATOM 1001 CB ILE A 67 3.165 -5.395 0.400 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.006 -4.295 1.451 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.635 -5.719 0.182 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.954 -4.817 2.870 1.00 0.00 C ATOM 0 H ILE A 67 0.701 -5.459 0.017 1.00 0.00 H new ATOM 0 HA ILE A 67 2.723 -3.915 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 67 2.665 -6.293 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.836 -3.595 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.093 -3.736 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.086 -6.019 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.725 -6.533 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.149 -4.837 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.840 -3.982 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.107 -5.495 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.877 -5.351 3.095 1.00 0.00 H new ATOM 1016 N PHE A 68 3.894 -5.167 -2.905 1.00 0.00 N ATOM 1017 CA PHE A 68 4.516 -5.851 -4.033 1.00 0.00 C ATOM 1018 C PHE A 68 5.914 -6.342 -3.667 1.00 0.00 C ATOM 1019 O PHE A 68 6.421 -7.296 -4.255 1.00 0.00 O ATOM 1020 CB PHE A 68 4.591 -4.920 -5.244 1.00 0.00 C ATOM 1021 CG PHE A 68 5.568 -5.374 -6.290 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.337 -6.533 -7.016 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.716 -4.644 -6.550 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.235 -6.954 -7.978 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.618 -5.060 -7.512 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.376 -6.216 -8.228 1.00 0.00 C ATOM 0 H PHE A 68 4.130 -4.178 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 68 3.901 -6.715 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.601 -4.841 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.869 -3.921 -4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.446 -7.113 -6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.909 -3.738 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.045 -7.860 -8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.510 -4.482 -7.703 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.077 -6.542 -8.982 1.00 0.00 H new ATOM 1036 N GLU A 69 6.531 -5.681 -2.692 1.00 0.00 N ATOM 1037 CA GLU A 69 7.870 -6.049 -2.248 1.00 0.00 C ATOM 1038 C GLU A 69 8.270 -5.256 -1.007 1.00 0.00 C ATOM 1039 O GLU A 69 7.811 -4.132 -0.802 1.00 0.00 O ATOM 1040 CB GLU A 69 8.885 -5.811 -3.368 1.00 0.00 C ATOM 1041 CG GLU A 69 10.331 -5.907 -2.910 1.00 0.00 C ATOM 1042 CD GLU A 69 11.262 -6.375 -4.011 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.080 -5.941 -5.168 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.174 -7.177 -3.715 1.00 0.00 O ATOM 0 H GLU A 69 6.125 -4.888 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 69 7.862 -7.109 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.715 -6.539 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.714 -4.824 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.660 -4.932 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.396 -6.595 -2.067 1.00 0.00 H new ATOM 1051 N ILE A 70 9.126 -5.850 -0.183 1.00 0.00 N ATOM 1052 CA ILE A 70 9.588 -5.200 1.037 1.00 0.00 C ATOM 1053 C ILE A 70 11.103 -5.303 1.175 1.00 0.00 C ATOM 1054 O ILE A 70 11.687 -6.362 0.946 1.00 0.00 O ATOM 1055 CB ILE A 70 8.927 -5.812 2.286 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.403 -5.731 2.174 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.409 -5.102 3.542 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.680 -6.762 3.013 1.00 0.00 C ATOM 0 H ILE A 70 9.514 -6.781 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 70 9.303 -4.151 0.963 1.00 0.00 H new ATOM 0 HB ILE A 70 9.213 -6.862 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.077 -4.736 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.116 -5.858 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.933 -5.546 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.491 -5.206 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.149 -4.045 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.604 -6.646 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.977 -7.762 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.937 -6.622 4.063 1.00 0.00 H new ATOM 1070 N PHE A 71 11.734 -4.196 1.553 1.00 0.00 N ATOM 1071 CA PHE A 71 13.182 -4.162 1.723 1.00 0.00 C ATOM 1072 C PHE A 71 13.573 -3.221 2.859 1.00 0.00 C ATOM 1073 O PHE A 71 12.731 -2.518 3.416 1.00 0.00 O ATOM 1074 CB PHE A 71 13.859 -3.721 0.424 1.00 0.00 C ATOM 1075 CG PHE A 71 13.391 -2.383 -0.072 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.928 -1.213 0.441 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.414 -2.295 -1.051 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.499 0.020 -0.014 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.983 -1.065 -1.510 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.525 0.094 -0.990 1.00 0.00 C ATOM 0 H PHE A 71 11.266 -3.311 1.747 1.00 0.00 H new ATOM 0 HA PHE A 71 13.518 -5.168 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.937 -3.685 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.673 -4.470 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.690 -1.265 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.985 -3.198 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.925 0.925 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.223 -1.010 -2.275 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.188 1.056 -1.346 1.00 0.00 H new ATOM 1090 N GLY A 72 14.859 -3.214 3.197 1.00 0.00 N ATOM 1091 CA GLY A 72 15.341 -2.357 4.264 1.00 0.00 C ATOM 1092 C GLY A 72 15.642 -3.126 5.535 1.00 0.00 C ATOM 1093 O GLY A 72 15.745 -4.353 5.533 1.00 0.00 O ATOM 0 H GLY A 72 15.575 -3.787 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.243 -1.842 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.595 -1.590 4.475 1.00 0.00 H new ATOM 1097 N PRO A 73 15.789 -2.398 6.652 1.00 0.00 N ATOM 1098 CA PRO A 73 16.083 -3.000 7.956 1.00 0.00 C ATOM 1099 C PRO A 73 14.902 -3.789 8.510 1.00 0.00 C ATOM 1100 O PRO A 73 13.973 -4.131 7.778 1.00 0.00 O ATOM 1101 CB PRO A 73 16.382 -1.790 8.845 1.00 0.00 C ATOM 1102 CG PRO A 73 15.651 -0.660 8.206 1.00 0.00 C ATOM 1103 CD PRO A 73 15.680 -0.932 6.727 1.00 0.00 C ATOM 0 HA PRO A 73 16.902 -3.717 7.899 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.040 -1.955 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.452 -1.591 8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.626 -0.602 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.127 0.293 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.778 -0.570 6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.525 -0.441 6.245 1.00 0.00 H new ATOM 1111 N VAL A 74 14.944 -4.076 9.807 1.00 0.00 N ATOM 1112 CA VAL A 74 13.876 -4.825 10.459 1.00 0.00 C ATOM 1113 C VAL A 74 13.049 -3.922 11.368 1.00 0.00 C ATOM 1114 O VAL A 74 12.025 -4.340 11.908 1.00 0.00 O ATOM 1115 CB VAL A 74 14.437 -5.995 11.289 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.221 -5.475 12.484 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.312 -6.916 11.738 1.00 0.00 C ATOM 0 H VAL A 74 15.706 -3.801 10.427 1.00 0.00 H new ATOM 0 HA VAL A 74 13.239 -5.223 9.669 1.00 0.00 H new ATOM 0 HB VAL A 74 15.118 -6.570 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.609 -6.316 13.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 16.050 -4.860 12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.566 -4.876 13.116 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.726 -7.737 12.323 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.605 -6.355 12.349 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.799 -7.316 10.864 1.00 0.00 H new ATOM 1127 N ALA A 75 13.499 -2.683 11.531 1.00 0.00 N ATOM 1128 CA ALA A 75 12.799 -1.720 12.372 1.00 0.00 C ATOM 1129 C ALA A 75 12.253 -0.562 11.543 1.00 0.00 C ATOM 1130 O ALA A 75 11.208 0.005 11.864 1.00 0.00 O ATOM 1131 CB ALA A 75 13.725 -1.200 13.462 1.00 0.00 C ATOM 0 H ALA A 75 14.346 -2.322 11.092 1.00 0.00 H new ATOM 0 HA ALA A 75 11.955 -2.228 12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.189 -0.482 14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.063 -2.032 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.587 -0.713 13.006 1.00 0.00 H new ATOM 1137 N HIS A 76 12.966 -0.215 10.477 1.00 0.00 N ATOM 1138 CA HIS A 76 12.552 0.876 9.602 1.00 0.00 C ATOM 1139 C HIS A 76 12.522 0.423 8.145 1.00 0.00 C ATOM 1140 O HIS A 76 13.020 1.103 7.248 1.00 0.00 O ATOM 1141 CB HIS A 76 13.496 2.069 9.757 1.00 0.00 C ATOM 1142 CG HIS A 76 13.791 2.418 11.184 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.836 2.902 12.052 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.941 2.348 11.893 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.387 3.117 13.234 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.664 2.789 13.164 1.00 0.00 N ATOM 0 H HIS A 76 13.833 -0.673 10.198 1.00 0.00 H new ATOM 0 HA HIS A 76 11.546 1.178 9.891 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.432 1.850 9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.057 2.936 9.263 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.857 3.068 11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.899 2.008 11.528 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.879 3.496 14.108 1.00 0.00 H new ATOM 1154 N PRO A 77 11.925 -0.754 7.903 1.00 0.00 N ATOM 1155 CA PRO A 77 11.816 -1.324 6.557 1.00 0.00 C ATOM 1156 C PRO A 77 10.851 -0.542 5.673 1.00 0.00 C ATOM 1157 O PRO A 77 9.923 0.099 6.165 1.00 0.00 O ATOM 1158 CB PRO A 77 11.282 -2.736 6.812 1.00 0.00 C ATOM 1159 CG PRO A 77 10.563 -2.639 8.114 1.00 0.00 C ATOM 1160 CD PRO A 77 11.310 -1.618 8.925 1.00 0.00 C ATOM 0 HA PRO A 77 12.768 -1.303 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.613 -3.057 6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.093 -3.463 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.526 -2.337 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.544 -3.603 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.642 -1.056 9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.061 -2.083 9.563 1.00 0.00 H new ATOM 1168 N PHE A 78 11.077 -0.598 4.364 1.00 0.00 N ATOM 1169 CA PHE A 78 10.228 0.106 3.411 1.00 0.00 C ATOM 1170 C PHE A 78 9.391 -0.878 2.599 1.00 0.00 C ATOM 1171 O PHE A 78 9.907 -1.864 2.074 1.00 0.00 O ATOM 1172 CB PHE A 78 11.080 0.963 2.473 1.00 0.00 C ATOM 1173 CG PHE A 78 12.237 1.633 3.158 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.345 0.901 3.551 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.215 2.996 3.410 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.411 1.515 4.182 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.278 3.615 4.040 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.377 2.873 4.427 1.00 0.00 C ATOM 0 H PHE A 78 11.841 -1.124 3.940 1.00 0.00 H new ATOM 0 HA PHE A 78 9.554 0.754 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.459 0.337 1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.448 1.725 2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.377 -0.162 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.358 3.581 3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.269 0.933 4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.249 4.678 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.208 3.355 4.920 1.00 0.00 H new ATOM 1188 N TYR A 79 8.095 -0.602 2.500 1.00 0.00 N ATOM 1189 CA TYR A 79 7.184 -1.463 1.755 1.00 0.00 C ATOM 1190 C TYR A 79 6.867 -0.866 0.388 1.00 0.00 C ATOM 1191 O TYR A 79 6.768 0.352 0.236 1.00 0.00 O ATOM 1192 CB TYR A 79 5.891 -1.676 2.544 1.00 0.00 C ATOM 1193 CG TYR A 79 6.119 -2.076 3.984 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.533 -1.145 4.927 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.919 -3.387 4.401 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.743 -1.506 6.244 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.125 -3.757 5.716 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.538 -2.813 6.633 1.00 0.00 C ATOM 1199 OH TYR A 79 6.744 -3.177 7.944 1.00 0.00 O ATOM 0 H TYR A 79 7.652 0.212 2.927 1.00 0.00 H new ATOM 0 HA TYR A 79 7.673 -2.426 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.305 -0.757 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.297 -2.446 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.694 -0.120 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.597 -4.129 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.066 -0.769 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.964 -4.779 6.024 1.00 0.00 H new ATOM 0 HH TYR A 79 6.554 -4.132 8.052 1.00 0.00 H new ATOM 1209 N VAL A 80 6.707 -1.734 -0.607 1.00 0.00 N ATOM 1210 CA VAL A 80 6.398 -1.294 -1.962 1.00 0.00 C ATOM 1211 C VAL A 80 4.954 -1.618 -2.330 1.00 0.00 C ATOM 1212 O VAL A 80 4.398 -2.622 -1.883 1.00 0.00 O ATOM 1213 CB VAL A 80 7.337 -1.950 -2.992 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.207 -1.267 -4.345 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.777 -1.910 -2.501 1.00 0.00 C ATOM 0 H VAL A 80 6.786 -2.745 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 80 6.542 -0.214 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 80 7.046 -2.994 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.878 -1.744 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.180 -1.353 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.470 -0.214 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.427 -2.378 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.082 -0.874 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.855 -2.450 -1.557 1.00 0.00 H new ATOM 1225 N LEU A 81 4.352 -0.760 -3.146 1.00 0.00 N ATOM 1226 CA LEU A 81 2.971 -0.954 -3.575 1.00 0.00 C ATOM 1227 C LEU A 81 2.905 -1.304 -5.058 1.00 0.00 C ATOM 1228 O LEU A 81 3.695 -0.803 -5.860 1.00 0.00 O ATOM 1229 CB LEU A 81 2.149 0.306 -3.300 1.00 0.00 C ATOM 1230 CG LEU A 81 1.537 0.416 -1.903 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.501 1.529 -1.860 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.916 -0.910 -1.487 1.00 0.00 C ATOM 0 H LEU A 81 4.798 0.076 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 81 2.553 -1.784 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.786 1.175 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.344 0.358 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 81 2.331 0.660 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.076 1.592 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.975 2.477 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.292 1.316 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.485 -0.813 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.134 -1.184 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.683 -1.684 -1.477 1.00 0.00 H new ATOM 1244 N ARG A 82 1.958 -2.165 -5.417 1.00 0.00 N ATOM 1245 CA ARG A 82 1.789 -2.580 -6.804 1.00 0.00 C ATOM 1246 C ARG A 82 0.986 -1.545 -7.588 1.00 0.00 C ATOM 1247 O ARG A 82 0.046 -0.948 -7.064 1.00 0.00 O ATOM 1248 CB ARG A 82 1.091 -3.940 -6.870 1.00 0.00 C ATOM 1249 CG ARG A 82 0.801 -4.408 -8.287 1.00 0.00 C ATOM 1250 CD ARG A 82 2.077 -4.801 -9.016 1.00 0.00 C ATOM 1251 NE ARG A 82 2.563 -6.113 -8.598 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.923 -7.249 -8.853 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.778 -7.233 -9.520 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.430 -8.404 -8.440 1.00 0.00 N ATOM 0 H ARG A 82 1.296 -2.588 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 82 2.778 -2.664 -7.255 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.714 -4.683 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.154 -3.885 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.120 -5.259 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.296 -3.614 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.893 -4.808 -10.090 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.847 -4.052 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 82 3.442 -6.160 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.386 -6.347 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.289 -8.107 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.311 -8.420 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.938 -9.276 -8.636 1.00 0.00 H new ATOM 1268 N PHE A 83 1.365 -1.339 -8.845 1.00 0.00 N ATOM 1269 CA PHE A 83 0.682 -0.375 -9.700 1.00 0.00 C ATOM 1270 C PHE A 83 1.089 -0.559 -11.159 1.00 0.00 C ATOM 1271 O PHE A 83 2.225 -0.926 -11.456 1.00 0.00 O ATOM 1272 CB PHE A 83 0.994 1.052 -9.247 1.00 0.00 C ATOM 1273 CG PHE A 83 0.249 1.466 -8.011 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.132 1.581 -8.024 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.929 1.739 -6.835 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.821 1.961 -6.888 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.245 2.119 -5.695 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.132 2.231 -5.722 1.00 0.00 C ATOM 0 H PHE A 83 2.141 -1.826 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.391 -0.548 -9.616 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.065 1.140 -9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.752 1.742 -10.055 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.676 1.371 -8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.005 1.654 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.897 2.047 -6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.787 2.328 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.668 2.529 -4.833 1.00 0.00 H new ATOM 1288 N ASN A 84 0.152 -0.301 -12.066 1.00 0.00 N ATOM 1289 CA ASN A 84 0.412 -0.438 -13.494 1.00 0.00 C ATOM 1290 C ASN A 84 1.460 0.570 -13.956 1.00 0.00 C ATOM 1291 O ASN A 84 2.465 0.202 -14.563 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.881 -0.248 -14.290 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.774 -1.473 -14.245 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.310 -2.600 -14.422 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.062 -1.258 -14.006 1.00 0.00 N ATOM 0 H ASN A 84 -0.794 0.004 -11.837 1.00 0.00 H new ATOM 0 HA ASN A 84 0.796 -1.442 -13.673 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.425 0.609 -13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.636 -0.019 -15.327 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.711 -2.044 -13.963 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.403 -0.307 -13.865 1.00 0.00 H new ATOM 1302 N SER A 85 1.217 1.844 -13.663 1.00 0.00 N ATOM 1303 CA SER A 85 2.137 2.906 -14.050 1.00 0.00 C ATOM 1304 C SER A 85 1.924 4.149 -13.193 1.00 0.00 C ATOM 1305 O SER A 85 0.929 4.260 -12.476 1.00 0.00 O ATOM 1306 CB SER A 85 1.954 3.255 -15.529 1.00 0.00 C ATOM 1307 OG SER A 85 2.730 2.404 -16.354 1.00 0.00 O ATOM 0 H SER A 85 0.390 2.165 -13.159 1.00 0.00 H new ATOM 0 HA SER A 85 3.154 2.547 -13.892 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.902 3.167 -15.799 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.241 4.293 -15.699 1.00 0.00 H new ATOM 0 HG SER A 85 2.854 1.540 -15.908 1.00 0.00 H new ATOM 1313 N SER A 86 2.866 5.084 -13.271 1.00 0.00 N ATOM 1314 CA SER A 86 2.785 6.318 -12.499 1.00 0.00 C ATOM 1315 C SER A 86 1.342 6.807 -12.407 1.00 0.00 C ATOM 1316 O SER A 86 0.929 7.368 -11.392 1.00 0.00 O ATOM 1317 CB SER A 86 3.662 7.400 -13.133 1.00 0.00 C ATOM 1318 OG SER A 86 3.401 7.520 -14.521 1.00 0.00 O ATOM 0 H SER A 86 3.694 5.010 -13.861 1.00 0.00 H new ATOM 0 HA SER A 86 3.146 6.112 -11.491 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.479 8.355 -12.641 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.713 7.158 -12.977 1.00 0.00 H new ATOM 0 HG SER A 86 3.973 8.219 -14.902 1.00 0.00 H new ATOM 1324 N ASP A 87 0.582 6.590 -13.474 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.815 7.007 -13.515 1.00 0.00 C ATOM 1326 C ASP A 87 -1.618 6.328 -12.410 1.00 0.00 C ATOM 1327 O ASP A 87 -2.213 6.994 -11.562 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.427 6.682 -14.879 1.00 0.00 C ATOM 1329 CG ASP A 87 -0.476 6.972 -16.024 1.00 0.00 C ATOM 1330 OD1 ASP A 87 0.354 6.095 -16.341 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -0.561 8.076 -16.602 1.00 0.00 O ATOM 0 H ASP A 87 0.909 6.128 -14.322 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.851 8.085 -13.356 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.712 5.630 -14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.340 7.263 -15.012 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.630 4.999 -12.425 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.360 4.229 -11.424 1.00 0.00 C ATOM 1338 C HIS A 88 -2.187 4.840 -10.037 1.00 0.00 C ATOM 1339 O HIS A 88 -3.073 4.737 -9.188 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.881 2.777 -11.417 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.934 1.801 -10.994 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.050 0.537 -11.533 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.922 1.908 -10.075 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.065 -0.090 -10.966 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.611 0.720 -10.077 1.00 0.00 N ATOM 0 H HIS A 88 -1.142 4.433 -13.119 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.418 4.253 -11.684 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.533 2.513 -12.416 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.025 2.689 -10.748 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.130 2.768 -9.455 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.393 -1.094 -11.191 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.414 0.499 -9.488 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.042 5.475 -9.814 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.754 6.103 -8.530 1.00 0.00 C ATOM 1355 C ILE A 89 -1.470 7.443 -8.400 1.00 0.00 C ATOM 1356 O ILE A 89 -2.285 7.637 -7.499 1.00 0.00 O ATOM 1357 CB ILE A 89 0.758 6.321 -8.336 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.472 4.978 -8.166 1.00 0.00 C ATOM 1359 CG2 ILE A 89 1.014 7.219 -7.136 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.525 4.157 -9.435 1.00 0.00 C ATOM 0 H ILE A 89 -0.298 5.569 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.117 5.424 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 89 1.156 6.812 -9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.489 5.158 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.966 4.402 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.087 7.364 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.534 8.185 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.605 6.754 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.045 3.219 -9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.511 3.946 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.057 4.713 -10.206 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.161 8.363 -9.308 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.777 9.685 -9.295 1.00 0.00 C ATOM 1374 C GLU A 90 -3.260 9.591 -8.949 1.00 0.00 C ATOM 1375 O GLU A 90 -3.725 10.211 -7.993 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.602 10.367 -10.654 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.283 11.108 -10.798 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.374 12.281 -11.754 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -1.007 13.294 -11.392 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.189 12.185 -12.865 1.00 0.00 O ATOM 0 H GLU A 90 -0.489 8.218 -10.061 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.280 10.281 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.675 9.616 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.422 11.069 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.037 11.466 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.482 10.416 -11.150 1.00 0.00 H new ATOM 1387 N SER A 91 -3.997 8.811 -9.733 1.00 0.00 N ATOM 1388 CA SER A 91 -5.428 8.639 -9.513 1.00 0.00 C ATOM 1389 C SER A 91 -5.722 8.370 -8.040 1.00 0.00 C ATOM 1390 O SER A 91 -6.595 9.002 -7.444 1.00 0.00 O ATOM 1391 CB SER A 91 -5.962 7.489 -10.369 1.00 0.00 C ATOM 1392 OG SER A 91 -7.362 7.603 -10.559 1.00 0.00 O ATOM 0 H SER A 91 -3.627 8.288 -10.526 1.00 0.00 H new ATOM 0 HA SER A 91 -5.929 9.562 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.459 7.487 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.733 6.537 -9.889 1.00 0.00 H new ATOM 0 HG SER A 91 -7.679 6.858 -11.111 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.987 7.428 -7.459 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.166 7.074 -6.056 1.00 0.00 C ATOM 1400 C LYS A 92 -4.898 8.275 -5.153 1.00 0.00 C ATOM 1401 O LYS A 92 -5.485 8.400 -4.080 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.236 5.920 -5.676 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.536 4.628 -6.417 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.848 4.014 -5.958 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.943 2.547 -6.347 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.289 1.981 -6.052 1.00 0.00 N ATOM 0 H LYS A 92 -4.261 6.896 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.200 6.760 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.206 6.213 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.313 5.740 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.580 4.824 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.725 3.918 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.938 4.111 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.681 4.563 -6.397 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.728 2.439 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.184 1.979 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.313 0.980 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.484 2.061 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.011 2.507 -6.585 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.008 9.157 -5.598 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.679 10.336 -4.819 1.00 0.00 C ATOM 1422 C GLY A 93 -2.438 10.143 -3.970 1.00 0.00 C ATOM 1423 O GLY A 93 -2.077 11.015 -3.180 1.00 0.00 O ATOM 0 H GLY A 93 -3.509 9.076 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.528 11.181 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.521 10.588 -4.174 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.785 8.997 -4.132 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.578 8.693 -3.374 1.00 0.00 C ATOM 1429 C ILE A 94 0.604 9.522 -3.865 1.00 0.00 C ATOM 1430 O ILE A 94 0.737 9.788 -5.060 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.216 7.198 -3.468 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.421 6.335 -3.091 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.970 6.883 -2.569 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.367 4.937 -3.666 1.00 0.00 C ATOM 0 H ILE A 94 -2.072 8.264 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.787 8.944 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 94 0.062 6.970 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.485 6.270 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.331 6.826 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.214 5.823 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.830 7.477 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.717 7.123 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.253 4.382 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.334 4.992 -4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.475 4.428 -3.301 1.00 0.00 H new ATOM 1446 N LYS A 95 1.461 9.928 -2.935 1.00 0.00 N ATOM 1447 CA LYS A 95 2.635 10.725 -3.271 1.00 0.00 C ATOM 1448 C LYS A 95 3.559 10.869 -2.066 1.00 0.00 C ATOM 1449 O LYS A 95 3.227 10.435 -0.963 1.00 0.00 O ATOM 1450 CB LYS A 95 2.211 12.109 -3.771 1.00 0.00 C ATOM 1451 CG LYS A 95 1.143 12.764 -2.912 1.00 0.00 C ATOM 1452 CD LYS A 95 1.703 13.215 -1.573 1.00 0.00 C ATOM 1453 CE LYS A 95 0.659 13.959 -0.755 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.284 14.866 0.248 1.00 0.00 N ATOM 0 H LYS A 95 1.365 9.718 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 95 3.178 10.210 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.086 12.758 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.840 12.020 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.725 13.621 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.326 12.062 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.055 12.348 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.566 13.860 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.021 14.539 -1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.017 13.240 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.560 15.500 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.703 14.301 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.027 15.432 -0.211 1.00 0.00 H new ATOM 1468 N ILE A 96 4.718 11.482 -2.285 1.00 0.00 N ATOM 1469 CA ILE A 96 5.687 11.684 -1.215 1.00 0.00 C ATOM 1470 C ILE A 96 5.065 12.437 -0.044 1.00 0.00 C ATOM 1471 O ILE A 96 4.235 13.326 -0.234 1.00 0.00 O ATOM 1472 CB ILE A 96 6.920 12.462 -1.713 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.561 11.738 -2.899 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.926 12.637 -0.586 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.278 10.464 -2.514 1.00 0.00 C ATOM 0 H ILE A 96 5.008 11.847 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 96 6.000 10.694 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 96 6.599 13.450 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.789 11.503 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.268 12.410 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.792 13.188 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.464 13.190 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.245 11.658 -0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.707 10.005 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.073 10.694 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.571 9.773 -2.055 1.00 0.00 H new ATOM 1487 N LYS A 97 5.472 12.075 1.168 1.00 0.00 N ATOM 1488 CA LYS A 97 4.958 12.718 2.372 1.00 0.00 C ATOM 1489 C LYS A 97 3.480 12.396 2.571 1.00 0.00 C ATOM 1490 O LYS A 97 2.680 13.279 2.879 1.00 0.00 O ATOM 1491 CB LYS A 97 5.154 14.233 2.290 1.00 0.00 C ATOM 1492 CG LYS A 97 6.584 14.645 1.984 1.00 0.00 C ATOM 1493 CD LYS A 97 7.392 14.841 3.256 1.00 0.00 C ATOM 1494 CE LYS A 97 8.861 15.088 2.951 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.590 15.628 4.131 1.00 0.00 N ATOM 0 H LYS A 97 6.157 11.339 1.343 1.00 0.00 H new ATOM 0 HA LYS A 97 5.515 12.332 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.496 14.635 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.850 14.682 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.058 13.884 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.582 15.570 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.989 15.684 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.294 13.960 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.327 14.156 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.946 15.788 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.588 15.783 3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.162 16.530 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.531 14.949 4.916 1.00 0.00 H new ATOM 1509 N GLU A 98 3.126 11.127 2.394 1.00 0.00 N ATOM 1510 CA GLU A 98 1.744 10.690 2.556 1.00 0.00 C ATOM 1511 C GLU A 98 1.655 9.510 3.519 1.00 0.00 C ATOM 1512 O GLU A 98 2.053 8.392 3.188 1.00 0.00 O ATOM 1513 CB GLU A 98 1.147 10.303 1.201 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.361 10.480 1.128 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.016 9.505 0.170 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.466 8.400 -0.023 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.081 9.847 -0.388 1.00 0.00 O ATOM 0 H GLU A 98 3.776 10.384 2.139 1.00 0.00 H new ATOM 0 HA GLU A 98 1.174 11.520 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.613 10.906 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.393 9.263 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.787 10.348 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.589 11.499 0.816 1.00 0.00 H new ATOM 1524 N THR A 99 1.132 9.766 4.714 1.00 0.00 N ATOM 1525 CA THR A 99 0.992 8.727 5.726 1.00 0.00 C ATOM 1526 C THR A 99 -0.102 7.735 5.348 1.00 0.00 C ATOM 1527 O THR A 99 -1.257 8.113 5.158 1.00 0.00 O ATOM 1528 CB THR A 99 0.669 9.328 7.107 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.418 10.533 7.304 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.990 8.338 8.217 1.00 0.00 C ATOM 0 H THR A 99 0.798 10.685 5.005 1.00 0.00 H new ATOM 0 HA THR A 99 1.948 8.207 5.779 1.00 0.00 H new ATOM 0 HB THR A 99 -0.397 9.553 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.206 10.910 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.754 8.785 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.397 7.434 8.081 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.050 8.085 8.184 1.00 0.00 H new ATOM 1538 N MET A 100 0.270 6.464 5.242 1.00 0.00 N ATOM 1539 CA MET A 100 -0.681 5.416 4.889 1.00 0.00 C ATOM 1540 C MET A 100 -1.061 4.591 6.114 1.00 0.00 C ATOM 1541 O MET A 100 -0.487 4.760 7.190 1.00 0.00 O ATOM 1542 CB MET A 100 -0.092 4.506 3.809 1.00 0.00 C ATOM 1543 CG MET A 100 0.342 5.251 2.557 1.00 0.00 C ATOM 1544 SD MET A 100 0.287 4.217 1.080 1.00 0.00 S ATOM 1545 CE MET A 100 -1.207 4.821 0.299 1.00 0.00 C ATOM 0 H MET A 100 1.223 6.134 5.395 1.00 0.00 H new ATOM 0 HA MET A 100 -1.581 5.893 4.501 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.766 3.975 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.832 3.754 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.302 6.118 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.356 5.627 2.695 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.311 4.368 -0.687 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.069 4.559 0.912 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.151 5.905 0.196 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.031 3.700 5.943 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.490 2.851 7.036 1.00 0.00 C ATOM 1557 C TYR A 101 -2.880 1.468 6.525 1.00 0.00 C ATOM 1558 O TYR A 101 -2.996 1.249 5.319 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.680 3.498 7.748 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.435 4.933 8.154 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.256 5.925 7.197 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.381 5.298 9.493 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.032 7.239 7.563 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.159 6.609 9.869 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.984 7.575 8.900 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.761 8.882 9.270 1.00 0.00 O ATOM 0 H TYR A 101 -2.515 3.547 5.058 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.669 2.739 7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.550 3.458 7.093 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.923 2.914 8.636 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.293 5.665 6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.515 4.544 10.254 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.895 7.998 6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -3.123 6.876 10.915 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.758 8.949 10.248 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.081 0.536 7.451 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.458 -0.827 7.096 1.00 0.00 C ATOM 1578 C PHE A 102 -4.577 -1.335 8.000 1.00 0.00 C ATOM 1579 O PHE A 102 -4.981 -0.659 8.945 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.246 -1.756 7.196 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.463 -1.586 8.466 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.079 -1.728 9.699 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.111 -1.284 8.428 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.361 -1.571 10.870 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.612 -1.126 9.595 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.014 -1.271 10.818 1.00 0.00 C ATOM 0 H PHE A 102 -2.989 0.700 8.453 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.820 -0.821 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.584 -2.790 7.123 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.588 -1.574 6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.132 -1.964 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.384 -1.171 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.853 -1.683 11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.665 -0.890 9.551 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.549 -1.150 11.732 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.075 -2.530 7.700 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.147 -3.130 8.485 1.00 0.00 C ATOM 1598 C ALA A 103 -5.836 -4.585 8.817 1.00 0.00 C ATOM 1599 O ALA A 103 -6.718 -5.341 9.227 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.469 -3.028 7.738 1.00 0.00 C ATOM 0 H ALA A 103 -4.753 -3.102 6.919 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.229 -2.580 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.261 -3.480 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.705 -1.979 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.390 -3.552 6.785 1.00 0.00 H new