USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 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 58 LYS NZ :NH3+ -130:sc= 0.623 (180deg=-3.54!) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0.108 F(o=-1.8,f=0.73) USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.552 USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0259 (180deg=-0.123) USER MOD Single : A 30 MET CE :methyl 160:sc= -0.41 (180deg=-1.45) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -10:sc= 1.01 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -101:sc= 0.689 USER MOD Single : A 44 MET CE :methyl 160:sc= -0.577 (180deg=-0.79) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 46 ASN : amide:sc= 0.298 K(o=0.3,f=-0.42) USER MOD Single : A 51 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 54 THR OG1 : rot 66:sc=-0.00484 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= -0.324 K(o=-0.32,f=-1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 33:sc= 1.07 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 88 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.6) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= 0.0889 (180deg=0.00679) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= -0.0324 (180deg=-0.469) 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 -176:sc= -0.319 (180deg=-0.354) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.864 -1.371 -5.403 1.00 0.00 N ATOM 191 CA THR A 16 -10.680 -0.330 -4.791 1.00 0.00 C ATOM 192 C THR A 16 -11.529 -0.893 -3.657 1.00 0.00 C ATOM 193 O THR A 16 -12.613 -1.431 -3.888 1.00 0.00 O ATOM 194 CB THR A 16 -11.605 0.340 -5.825 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.368 -0.655 -6.517 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.797 1.153 -6.825 1.00 0.00 C ATOM 0 HA THR A 16 -9.993 0.416 -4.392 1.00 0.00 H new ATOM 0 HB THR A 16 -12.281 1.012 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.682 -1.329 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.471 1.617 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.240 1.928 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.101 0.498 -7.349 1.00 0.00 H new ATOM 204 N ILE A 17 -11.032 -0.766 -2.432 1.00 0.00 N ATOM 205 CA ILE A 17 -11.746 -1.261 -1.262 1.00 0.00 C ATOM 206 C ILE A 17 -11.911 -0.166 -0.214 1.00 0.00 C ATOM 207 O ILE A 17 -10.928 0.363 0.306 1.00 0.00 O ATOM 208 CB ILE A 17 -11.021 -2.461 -0.624 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.891 -3.602 -1.635 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.762 -2.928 0.619 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.950 -4.700 -1.190 1.00 0.00 C ATOM 0 H ILE A 17 -10.137 -0.324 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.729 -1.583 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.020 -2.147 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.877 -4.031 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.541 -3.197 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.237 -3.776 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.807 -2.115 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.774 -3.228 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.907 -5.475 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.954 -4.285 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.310 -5.132 -0.256 1.00 0.00 H new ATOM 223 N ILE A 18 -13.160 0.169 0.093 1.00 0.00 N ATOM 224 CA ILE A 18 -13.454 1.199 1.081 1.00 0.00 C ATOM 225 C ILE A 18 -13.631 0.595 2.469 1.00 0.00 C ATOM 226 O ILE A 18 -14.272 -0.445 2.629 1.00 0.00 O ATOM 227 CB ILE A 18 -14.723 1.989 0.711 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.559 2.648 -0.660 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.026 3.034 1.775 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.247 3.384 -0.823 1.00 0.00 C ATOM 0 H ILE A 18 -13.985 -0.258 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.603 1.879 1.090 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.563 1.296 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.636 1.884 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.381 3.346 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.926 3.584 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.182 2.541 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.188 3.726 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.199 3.826 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.176 4.171 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.420 2.686 -0.696 1.00 0.00 H new ATOM 242 N LEU A 19 -13.061 1.253 3.473 1.00 0.00 N ATOM 243 CA LEU A 19 -13.157 0.782 4.850 1.00 0.00 C ATOM 244 C LEU A 19 -14.119 1.649 5.656 1.00 0.00 C ATOM 245 O LEU A 19 -14.085 2.878 5.595 1.00 0.00 O ATOM 246 CB LEU A 19 -11.777 0.784 5.508 1.00 0.00 C ATOM 247 CG LEU A 19 -11.589 -0.183 6.678 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.580 -1.622 6.184 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.305 0.133 7.431 1.00 0.00 C ATOM 0 H LEU A 19 -12.527 2.115 3.359 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.543 -0.237 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.033 0.550 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.566 1.794 5.860 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.427 -0.061 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.445 -2.296 7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.526 -1.843 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.762 -1.759 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.188 -0.565 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.455 0.040 6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.351 1.151 7.818 1.00 0.00 H new ATOM 261 N PRO A 20 -14.996 0.996 6.432 1.00 0.00 N ATOM 262 CA PRO A 20 -15.982 1.688 7.268 1.00 0.00 C ATOM 263 C PRO A 20 -15.337 2.417 8.442 1.00 0.00 C ATOM 264 O PRO A 20 -14.114 2.443 8.571 1.00 0.00 O ATOM 265 CB PRO A 20 -16.879 0.554 7.771 1.00 0.00 C ATOM 266 CG PRO A 20 -16.016 -0.660 7.726 1.00 0.00 C ATOM 267 CD PRO A 20 -15.093 -0.469 6.555 1.00 0.00 C ATOM 0 HA PRO A 20 -16.517 2.459 6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.235 0.750 8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.760 0.437 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.453 -0.773 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.617 -1.562 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.118 -0.923 6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.494 -0.923 5.649 1.00 0.00 H new ATOM 275 N GLU A 21 -16.169 3.008 9.295 1.00 0.00 N ATOM 276 CA GLU A 21 -15.678 3.738 10.457 1.00 0.00 C ATOM 277 C GLU A 21 -15.621 2.832 11.684 1.00 0.00 C ATOM 278 O GLU A 21 -15.465 3.304 12.811 1.00 0.00 O ATOM 279 CB GLU A 21 -16.571 4.946 10.743 1.00 0.00 C ATOM 280 CG GLU A 21 -18.013 4.579 11.050 1.00 0.00 C ATOM 281 CD GLU A 21 -18.850 5.780 11.445 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.188 6.586 10.552 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.168 5.914 12.645 1.00 0.00 O ATOM 0 H GLU A 21 -17.185 2.995 9.203 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.669 4.086 10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.159 5.500 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.551 5.614 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.457 4.104 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.033 3.846 11.856 1.00 0.00 H new ATOM 290 N ASP A 22 -15.751 1.530 11.457 1.00 0.00 N ATOM 291 CA ASP A 22 -15.714 0.557 12.543 1.00 0.00 C ATOM 292 C ASP A 22 -14.335 -0.087 12.649 1.00 0.00 C ATOM 293 O ASP A 22 -14.042 -0.792 13.615 1.00 0.00 O ATOM 294 CB ASP A 22 -16.778 -0.521 12.327 1.00 0.00 C ATOM 295 CG ASP A 22 -16.956 -1.411 13.542 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.257 -0.877 14.630 1.00 0.00 O ATOM 297 OD2 ASP A 22 -16.794 -2.641 13.403 1.00 0.00 O ATOM 0 H ASP A 22 -15.883 1.123 10.531 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.923 1.082 13.475 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.729 -0.046 12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.501 -1.134 11.469 1.00 0.00 H new ATOM 302 N ILE A 23 -13.494 0.159 11.651 1.00 0.00 N ATOM 303 CA ILE A 23 -12.147 -0.396 11.633 1.00 0.00 C ATOM 304 C ILE A 23 -11.127 0.618 12.138 1.00 0.00 C ATOM 305 O ILE A 23 -11.292 1.823 11.951 1.00 0.00 O ATOM 306 CB ILE A 23 -11.744 -0.851 10.217 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.979 -1.293 9.430 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.726 -1.979 10.293 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.907 -2.194 10.215 1.00 0.00 C ATOM 0 H ILE A 23 -13.722 0.739 10.844 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.154 -1.261 12.296 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.286 -0.009 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.530 -0.409 9.109 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.658 -1.814 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.451 -2.290 9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.838 -1.632 10.821 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.159 -2.824 10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.760 -2.467 9.594 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.372 -3.095 10.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.258 -1.669 11.103 1.00 0.00 H new ATOM 321 N GLU A 24 -10.072 0.122 12.777 1.00 0.00 N ATOM 322 CA GLU A 24 -9.025 0.986 13.308 1.00 0.00 C ATOM 323 C GLU A 24 -7.818 1.015 12.374 1.00 0.00 C ATOM 324 O GLU A 24 -7.087 0.030 12.255 1.00 0.00 O ATOM 325 CB GLU A 24 -8.597 0.511 14.698 1.00 0.00 C ATOM 326 CG GLU A 24 -7.277 1.102 15.163 1.00 0.00 C ATOM 327 CD GLU A 24 -7.004 0.836 16.631 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.734 1.390 17.479 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.060 0.075 16.932 1.00 0.00 O ATOM 0 H GLU A 24 -9.920 -0.873 12.939 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.427 1.996 13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.375 0.770 15.417 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.517 -0.576 14.693 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.466 0.686 14.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.283 2.178 14.987 1.00 0.00 H new ATOM 336 N LEU A 25 -7.616 2.149 11.714 1.00 0.00 N ATOM 337 CA LEU A 25 -6.498 2.308 10.790 1.00 0.00 C ATOM 338 C LEU A 25 -5.249 2.787 11.523 1.00 0.00 C ATOM 339 O LEU A 25 -5.222 3.888 12.072 1.00 0.00 O ATOM 340 CB LEU A 25 -6.863 3.296 9.681 1.00 0.00 C ATOM 341 CG LEU A 25 -7.860 2.795 8.636 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.121 3.866 7.589 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.350 1.519 7.981 1.00 0.00 C ATOM 0 H LEU A 25 -8.211 2.973 11.801 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.285 1.336 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.272 4.194 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.947 3.590 9.168 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.801 2.571 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.833 3.490 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.531 4.754 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.186 4.123 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.072 1.177 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.396 1.717 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.216 0.749 8.740 1.00 0.00 H new ATOM 355 N LYS A 26 -4.214 1.953 11.525 1.00 0.00 N ATOM 356 CA LYS A 26 -2.960 2.292 12.187 1.00 0.00 C ATOM 357 C LYS A 26 -1.948 2.842 11.187 1.00 0.00 C ATOM 358 O LYS A 26 -1.865 2.396 10.042 1.00 0.00 O ATOM 359 CB LYS A 26 -2.381 1.061 12.888 1.00 0.00 C ATOM 360 CG LYS A 26 -3.246 0.546 14.026 1.00 0.00 C ATOM 361 CD LYS A 26 -3.075 -0.950 14.224 1.00 0.00 C ATOM 362 CE LYS A 26 -4.005 -1.743 13.319 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.629 -3.183 13.261 1.00 0.00 N ATOM 0 H LYS A 26 -4.219 1.037 11.075 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.167 3.063 12.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.248 0.265 12.155 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.392 1.306 13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.986 1.068 14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.293 0.769 13.818 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.041 -1.229 14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.274 -1.205 15.265 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.029 -1.650 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.981 -1.321 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.110 -3.635 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.599 -3.268 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.915 -3.652 14.144 1.00 0.00 H new ATOM 377 N PRO A 27 -1.159 3.833 11.627 1.00 0.00 N ATOM 378 CA PRO A 27 -0.138 4.464 10.786 1.00 0.00 C ATOM 379 C PRO A 27 1.032 3.530 10.496 1.00 0.00 C ATOM 380 O PRO A 27 1.873 3.284 11.361 1.00 0.00 O ATOM 381 CB PRO A 27 0.326 5.657 11.626 1.00 0.00 C ATOM 382 CG PRO A 27 0.036 5.265 13.033 1.00 0.00 C ATOM 383 CD PRO A 27 -1.203 4.415 12.979 1.00 0.00 C ATOM 0 HA PRO A 27 -0.530 4.741 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.388 5.854 11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.208 6.567 11.350 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.870 4.712 13.464 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.121 6.144 13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.195 3.644 13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.104 5.008 13.132 1.00 0.00 H new ATOM 391 N LEU A 28 1.080 3.013 9.273 1.00 0.00 N ATOM 392 CA LEU A 28 2.148 2.105 8.868 1.00 0.00 C ATOM 393 C LEU A 28 3.421 2.876 8.536 1.00 0.00 C ATOM 394 O LEU A 28 4.520 2.476 8.919 1.00 0.00 O ATOM 395 CB LEU A 28 1.710 1.277 7.659 1.00 0.00 C ATOM 396 CG LEU A 28 2.829 0.788 6.738 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.371 -0.421 5.937 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.281 1.906 5.810 1.00 0.00 C ATOM 0 H LEU A 28 0.392 3.207 8.545 1.00 0.00 H new ATOM 0 HA LEU A 28 2.357 1.435 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.158 0.409 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.015 1.874 7.068 1.00 0.00 H new ATOM 0 HG LEU A 28 3.677 0.489 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.180 -0.755 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.097 -1.226 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.507 -0.149 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.078 1.541 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.439 2.236 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.650 2.743 6.402 1.00 0.00 H new ATOM 410 N GLY A 29 3.265 3.987 7.821 1.00 0.00 N ATOM 411 CA GLY A 29 4.410 4.798 7.451 1.00 0.00 C ATOM 412 C GLY A 29 4.047 5.906 6.482 1.00 0.00 C ATOM 413 O GLY A 29 2.869 6.191 6.268 1.00 0.00 O ATOM 0 H GLY A 29 2.366 4.339 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.848 5.234 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.172 4.161 7.001 1.00 0.00 H new ATOM 417 N MET A 30 5.061 6.533 5.896 1.00 0.00 N ATOM 418 CA MET A 30 4.842 7.617 4.944 1.00 0.00 C ATOM 419 C MET A 30 5.652 7.394 3.671 1.00 0.00 C ATOM 420 O MET A 30 6.739 6.816 3.707 1.00 0.00 O ATOM 421 CB MET A 30 5.217 8.960 5.573 1.00 0.00 C ATOM 422 CG MET A 30 4.515 10.147 4.934 1.00 0.00 C ATOM 423 SD MET A 30 4.874 11.701 5.776 1.00 0.00 S ATOM 424 CE MET A 30 6.664 11.712 5.718 1.00 0.00 C ATOM 0 H MET A 30 6.042 6.310 6.063 1.00 0.00 H new ATOM 0 HA MET A 30 3.784 7.630 4.682 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.975 8.934 6.636 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.295 9.100 5.494 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.819 10.225 3.890 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.439 9.975 4.941 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.027 12.730 5.864 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.058 11.070 6.506 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.999 11.343 4.749 1.00 0.00 H new ATOM 434 N VAL A 31 5.116 7.856 2.546 1.00 0.00 N ATOM 435 CA VAL A 31 5.790 7.708 1.261 1.00 0.00 C ATOM 436 C VAL A 31 7.185 8.322 1.298 1.00 0.00 C ATOM 437 O VAL A 31 7.352 9.490 1.649 1.00 0.00 O ATOM 438 CB VAL A 31 4.983 8.364 0.125 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.668 8.143 -1.214 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.561 7.824 0.102 1.00 0.00 C ATOM 0 H VAL A 31 4.217 8.336 2.498 1.00 0.00 H new ATOM 0 HA VAL A 31 5.872 6.638 1.068 1.00 0.00 H new ATOM 0 HB VAL A 31 4.937 9.437 0.308 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.083 8.614 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.665 8.583 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.748 7.074 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.005 8.298 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.584 6.746 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.074 8.041 1.053 1.00 0.00 H new ATOM 450 N SER A 32 8.185 7.526 0.933 1.00 0.00 N ATOM 451 CA SER A 32 9.568 7.989 0.928 1.00 0.00 C ATOM 452 C SER A 32 10.074 8.172 -0.500 1.00 0.00 C ATOM 453 O SER A 32 10.877 9.063 -0.776 1.00 0.00 O ATOM 454 CB SER A 32 10.463 6.999 1.676 1.00 0.00 C ATOM 455 OG SER A 32 11.594 7.651 2.228 1.00 0.00 O ATOM 0 H SER A 32 8.063 6.558 0.637 1.00 0.00 H new ATOM 0 HA SER A 32 9.604 8.954 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.893 6.517 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.789 6.212 0.995 1.00 0.00 H new ATOM 0 HG SER A 32 12.149 6.997 2.702 1.00 0.00 H new ATOM 461 N SER A 33 9.598 7.320 -1.403 1.00 0.00 N ATOM 462 CA SER A 33 10.005 7.384 -2.802 1.00 0.00 C ATOM 463 C SER A 33 9.005 6.653 -3.692 1.00 0.00 C ATOM 464 O SER A 33 8.093 5.986 -3.202 1.00 0.00 O ATOM 465 CB SER A 33 11.399 6.779 -2.978 1.00 0.00 C ATOM 466 OG SER A 33 12.375 7.537 -2.284 1.00 0.00 O ATOM 0 H SER A 33 8.931 6.578 -1.191 1.00 0.00 H new ATOM 0 HA SER A 33 10.032 8.432 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.402 5.753 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.651 6.739 -4.038 1.00 0.00 H new ATOM 0 HG SER A 33 11.976 8.375 -1.971 1.00 0.00 H new ATOM 472 N ILE A 34 9.183 6.783 -5.002 1.00 0.00 N ATOM 473 CA ILE A 34 8.297 6.134 -5.961 1.00 0.00 C ATOM 474 C ILE A 34 9.091 5.470 -7.081 1.00 0.00 C ATOM 475 O ILE A 34 9.994 6.077 -7.659 1.00 0.00 O ATOM 476 CB ILE A 34 7.302 7.136 -6.576 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.301 7.608 -5.520 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.579 6.507 -7.757 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.857 8.662 -4.589 1.00 0.00 C ATOM 0 H ILE A 34 9.932 7.332 -5.424 1.00 0.00 H new ATOM 0 HA ILE A 34 7.741 5.373 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 34 7.857 8.003 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.418 8.006 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.975 6.751 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.879 7.227 -8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.306 6.217 -8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.033 5.625 -7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.093 8.949 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.722 8.261 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.157 9.536 -5.167 1.00 0.00 H new ATOM 491 N ILE A 35 8.748 4.223 -7.383 1.00 0.00 N ATOM 492 CA ILE A 35 9.427 3.478 -8.436 1.00 0.00 C ATOM 493 C ILE A 35 8.780 3.732 -9.794 1.00 0.00 C ATOM 494 O ILE A 35 7.615 4.118 -9.874 1.00 0.00 O ATOM 495 CB ILE A 35 9.418 1.964 -8.151 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.239 1.655 -6.897 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.958 1.196 -9.348 1.00 0.00 C ATOM 498 CD1 ILE A 35 10.068 0.237 -6.398 1.00 0.00 C ATOM 0 H ILE A 35 8.004 3.707 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 35 10.459 3.829 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 35 8.390 1.648 -7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.293 1.832 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.953 2.347 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.945 0.128 -9.131 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.335 1.397 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.981 1.512 -9.552 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.679 0.089 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.020 0.061 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.382 -0.462 -7.173 1.00 0.00 H new ATOM 510 N GLU A 36 9.545 3.510 -10.858 1.00 0.00 N ATOM 511 CA GLU A 36 9.046 3.714 -12.213 1.00 0.00 C ATOM 512 C GLU A 36 7.554 3.405 -12.295 1.00 0.00 C ATOM 513 O GLU A 36 6.776 4.191 -12.834 1.00 0.00 O ATOM 514 CB GLU A 36 9.815 2.836 -13.202 1.00 0.00 C ATOM 515 CG GLU A 36 11.299 3.153 -13.270 1.00 0.00 C ATOM 516 CD GLU A 36 11.931 2.710 -14.576 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.193 2.567 -15.573 1.00 0.00 O ATOM 518 OE2 GLU A 36 13.163 2.505 -14.600 1.00 0.00 O ATOM 0 H GLU A 36 10.512 3.189 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 36 9.198 4.761 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.688 1.790 -12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.381 2.955 -14.195 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.443 4.226 -13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.809 2.665 -12.440 1.00 0.00 H new ATOM 525 N GLN A 37 7.164 2.254 -11.756 1.00 0.00 N ATOM 526 CA GLN A 37 5.766 1.840 -11.770 1.00 0.00 C ATOM 527 C GLN A 37 5.245 1.634 -10.351 1.00 0.00 C ATOM 528 O GLN A 37 4.091 1.941 -10.051 1.00 0.00 O ATOM 529 CB GLN A 37 5.601 0.551 -12.578 1.00 0.00 C ATOM 530 CG GLN A 37 6.533 -0.566 -12.138 1.00 0.00 C ATOM 531 CD GLN A 37 6.836 -1.547 -13.253 1.00 0.00 C ATOM 532 OE1 GLN A 37 5.979 -2.338 -13.649 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.059 -1.500 -13.767 1.00 0.00 N ATOM 0 H GLN A 37 7.796 1.592 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 37 5.184 2.632 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.570 0.208 -12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.778 0.767 -13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.466 -0.134 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.083 -1.101 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.738 -0.828 -13.408 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.320 -2.136 -14.521 1.00 0.00 H new ATOM 542 N LEU A 38 6.103 1.113 -9.481 1.00 0.00 N ATOM 543 CA LEU A 38 5.730 0.865 -8.093 1.00 0.00 C ATOM 544 C LEU A 38 6.003 2.092 -7.228 1.00 0.00 C ATOM 545 O LEU A 38 6.582 3.075 -7.692 1.00 0.00 O ATOM 546 CB LEU A 38 6.497 -0.340 -7.545 1.00 0.00 C ATOM 547 CG LEU A 38 6.353 -1.642 -8.333 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.010 -1.689 -9.045 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.493 -1.792 -9.329 1.00 0.00 C ATOM 0 H LEU A 38 7.062 0.854 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 38 4.661 0.652 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.555 -0.082 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.168 -0.520 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 38 6.399 -2.475 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.925 -2.623 -9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.207 -1.630 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.934 -0.848 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.374 -2.724 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.480 -0.954 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.443 -1.805 -8.795 1.00 0.00 H new ATOM 561 N VAL A 39 5.585 2.027 -5.968 1.00 0.00 N ATOM 562 CA VAL A 39 5.787 3.131 -5.038 1.00 0.00 C ATOM 563 C VAL A 39 6.507 2.663 -3.778 1.00 0.00 C ATOM 564 O VAL A 39 6.241 1.574 -3.268 1.00 0.00 O ATOM 565 CB VAL A 39 4.449 3.782 -4.640 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.674 4.878 -3.609 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.738 4.330 -5.867 1.00 0.00 C ATOM 0 H VAL A 39 5.104 1.221 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 39 6.403 3.869 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 39 3.813 3.019 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.718 5.326 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.138 4.451 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.328 5.643 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.795 4.786 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.367 5.079 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.542 3.518 -6.567 1.00 0.00 H new ATOM 577 N ILE A 40 7.418 3.493 -3.281 1.00 0.00 N ATOM 578 CA ILE A 40 8.175 3.164 -2.079 1.00 0.00 C ATOM 579 C ILE A 40 7.622 3.900 -0.863 1.00 0.00 C ATOM 580 O ILE A 40 7.372 5.105 -0.915 1.00 0.00 O ATOM 581 CB ILE A 40 9.666 3.511 -2.241 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.200 2.958 -3.565 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.468 2.962 -1.070 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.566 1.492 -3.503 1.00 0.00 C ATOM 0 H ILE A 40 7.650 4.397 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 40 8.075 2.089 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 40 9.772 4.596 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.448 3.104 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.078 3.531 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.520 3.215 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.101 3.398 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.358 1.878 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.937 1.168 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.341 1.342 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.685 0.908 -3.238 1.00 0.00 H new ATOM 596 N ILE A 41 7.436 3.169 0.230 1.00 0.00 N ATOM 597 CA ILE A 41 6.917 3.753 1.460 1.00 0.00 C ATOM 598 C ILE A 41 7.821 3.434 2.646 1.00 0.00 C ATOM 599 O ILE A 41 8.250 2.294 2.822 1.00 0.00 O ATOM 600 CB ILE A 41 5.493 3.250 1.765 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.551 3.586 0.607 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.983 3.858 3.063 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.427 2.588 0.435 1.00 0.00 C ATOM 0 H ILE A 41 7.637 2.171 0.289 1.00 0.00 H new ATOM 0 HA ILE A 41 6.889 4.832 1.308 1.00 0.00 H new ATOM 0 HB ILE A 41 5.523 2.167 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.125 4.576 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.127 3.635 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.976 3.493 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.643 3.573 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.964 4.944 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.799 2.889 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.844 1.600 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.827 2.555 1.344 1.00 0.00 H new ATOM 615 N GLU A 42 8.106 4.449 3.456 1.00 0.00 N ATOM 616 CA GLU A 42 8.959 4.275 4.626 1.00 0.00 C ATOM 617 C GLU A 42 8.122 4.109 5.890 1.00 0.00 C ATOM 618 O GLU A 42 7.098 4.771 6.061 1.00 0.00 O ATOM 619 CB GLU A 42 9.902 5.470 4.778 1.00 0.00 C ATOM 620 CG GLU A 42 10.650 5.491 6.101 1.00 0.00 C ATOM 621 CD GLU A 42 11.138 6.877 6.474 1.00 0.00 C ATOM 622 OE1 GLU A 42 10.293 7.729 6.823 1.00 0.00 O ATOM 623 OE2 GLU A 42 12.363 7.111 6.417 1.00 0.00 O ATOM 0 H GLU A 42 7.759 5.399 3.324 1.00 0.00 H new ATOM 0 HA GLU A 42 9.550 3.371 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.625 5.458 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.327 6.391 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.997 5.116 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.502 4.813 6.043 1.00 0.00 H new ATOM 630 N SER A 43 8.564 3.220 6.774 1.00 0.00 N ATOM 631 CA SER A 43 7.854 2.963 8.021 1.00 0.00 C ATOM 632 C SER A 43 8.391 3.844 9.144 1.00 0.00 C ATOM 633 O SER A 43 9.375 4.563 8.967 1.00 0.00 O ATOM 634 CB SER A 43 7.979 1.488 8.410 1.00 0.00 C ATOM 635 OG SER A 43 9.330 1.141 8.663 1.00 0.00 O ATOM 0 H SER A 43 9.411 2.666 6.649 1.00 0.00 H new ATOM 0 HA SER A 43 6.802 3.203 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.377 1.290 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.583 0.863 7.610 1.00 0.00 H new ATOM 0 HG SER A 43 9.696 0.666 7.888 1.00 0.00 H new ATOM 641 N MET A 44 7.739 3.783 10.300 1.00 0.00 N ATOM 642 CA MET A 44 8.151 4.574 11.453 1.00 0.00 C ATOM 643 C MET A 44 8.585 3.672 12.604 1.00 0.00 C ATOM 644 O MET A 44 9.771 3.582 12.923 1.00 0.00 O ATOM 645 CB MET A 44 7.011 5.487 11.907 1.00 0.00 C ATOM 646 CG MET A 44 6.306 6.195 10.761 1.00 0.00 C ATOM 647 SD MET A 44 7.214 7.638 10.172 1.00 0.00 S ATOM 648 CE MET A 44 6.399 7.934 8.605 1.00 0.00 C ATOM 0 H MET A 44 6.923 3.194 10.463 1.00 0.00 H new ATOM 0 HA MET A 44 9.001 5.188 11.155 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.282 4.896 12.461 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.407 6.233 12.596 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.169 5.495 9.936 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.312 6.504 11.086 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.582 8.961 8.288 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.792 7.247 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.327 7.774 8.717 1.00 0.00 H new ATOM 658 N THR A 45 7.617 3.007 13.226 1.00 0.00 N ATOM 659 CA THR A 45 7.898 2.113 14.343 1.00 0.00 C ATOM 660 C THR A 45 6.635 1.398 14.806 1.00 0.00 C ATOM 661 O THR A 45 5.528 1.745 14.397 1.00 0.00 O ATOM 662 CB THR A 45 8.509 2.877 15.533 1.00 0.00 C ATOM 663 OG1 THR A 45 9.124 1.957 16.441 1.00 0.00 O ATOM 664 CG2 THR A 45 7.444 3.682 16.262 1.00 0.00 C ATOM 0 H THR A 45 6.630 3.071 12.975 1.00 0.00 H new ATOM 0 HA THR A 45 8.618 1.376 13.986 1.00 0.00 H new ATOM 0 HB THR A 45 9.262 3.565 15.148 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.512 2.450 17.194 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.898 4.213 17.098 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.998 4.401 15.575 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.672 3.010 16.636 1.00 0.00 H new ATOM 672 N ASN A 46 6.808 0.398 15.664 1.00 0.00 N ATOM 673 CA ASN A 46 5.680 -0.367 16.184 1.00 0.00 C ATOM 674 C ASN A 46 4.891 -1.013 15.050 1.00 0.00 C ATOM 675 O ASN A 46 3.696 -1.282 15.184 1.00 0.00 O ATOM 676 CB ASN A 46 4.761 0.537 17.009 1.00 0.00 C ATOM 677 CG ASN A 46 3.969 -0.236 18.047 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.329 -0.263 19.224 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.886 -0.869 17.613 1.00 0.00 N ATOM 0 H ASN A 46 7.718 0.098 16.014 1.00 0.00 H new ATOM 0 HA ASN A 46 6.073 -1.156 16.824 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.359 1.301 17.507 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.072 1.056 16.342 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.314 -1.406 18.265 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.626 -0.818 16.628 1.00 0.00 H new ATOM 686 N LEU A 47 5.566 -1.259 13.933 1.00 0.00 N ATOM 687 CA LEU A 47 4.930 -1.875 12.773 1.00 0.00 C ATOM 688 C LEU A 47 4.741 -3.373 12.987 1.00 0.00 C ATOM 689 O LEU A 47 5.683 -4.105 13.292 1.00 0.00 O ATOM 690 CB LEU A 47 5.766 -1.629 11.517 1.00 0.00 C ATOM 691 CG LEU A 47 5.442 -0.357 10.732 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.143 0.844 11.349 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.838 -0.515 9.272 1.00 0.00 C ATOM 0 H LEU A 47 6.554 -1.041 13.805 1.00 0.00 H new ATOM 0 HA LEU A 47 3.949 -1.419 12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.817 -1.596 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.645 -2.483 10.851 1.00 0.00 H new ATOM 0 HG LEU A 47 4.366 -0.188 10.779 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.901 1.740 10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.810 0.970 12.379 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.221 0.684 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.600 0.400 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.908 -0.709 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.290 -1.349 8.835 1.00 0.00 H new ATOM 705 N PRO A 48 3.495 -3.842 12.822 1.00 0.00 N ATOM 706 CA PRO A 48 3.154 -5.258 12.990 1.00 0.00 C ATOM 707 C PRO A 48 3.734 -6.129 11.881 1.00 0.00 C ATOM 708 O PRO A 48 4.060 -5.655 10.792 1.00 0.00 O ATOM 709 CB PRO A 48 1.624 -5.264 12.930 1.00 0.00 C ATOM 710 CG PRO A 48 1.272 -4.052 12.138 1.00 0.00 C ATOM 711 CD PRO A 48 2.324 -3.027 12.460 1.00 0.00 C ATOM 0 HA PRO A 48 3.559 -5.668 13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.250 -6.170 12.454 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.188 -5.225 13.928 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.257 -4.274 11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.279 -3.688 12.402 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.532 -2.382 11.606 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.016 -2.379 13.281 1.00 0.00 H new ATOM 719 N PRO A 49 3.866 -7.435 12.160 1.00 0.00 N ATOM 720 CA PRO A 49 4.406 -8.399 11.198 1.00 0.00 C ATOM 721 C PRO A 49 3.458 -8.646 10.030 1.00 0.00 C ATOM 722 O PRO A 49 2.730 -9.638 10.006 1.00 0.00 O ATOM 723 CB PRO A 49 4.573 -9.674 12.029 1.00 0.00 C ATOM 724 CG PRO A 49 3.581 -9.539 13.133 1.00 0.00 C ATOM 725 CD PRO A 49 3.498 -8.069 13.437 1.00 0.00 C ATOM 0 HA PRO A 49 5.331 -8.045 10.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.381 -10.565 11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.588 -9.764 12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.609 -9.931 12.834 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.896 -10.102 14.012 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.496 -7.780 13.755 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.181 -7.785 14.238 1.00 0.00 H new ATOM 733 N VAL A 50 3.472 -7.736 9.060 1.00 0.00 N ATOM 734 CA VAL A 50 2.614 -7.856 7.887 1.00 0.00 C ATOM 735 C VAL A 50 3.402 -8.348 6.678 1.00 0.00 C ATOM 736 O VAL A 50 4.458 -7.809 6.352 1.00 0.00 O ATOM 737 CB VAL A 50 1.948 -6.511 7.540 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.670 -6.325 8.343 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.913 -5.360 7.783 1.00 0.00 C ATOM 0 H VAL A 50 4.068 -6.908 9.064 1.00 0.00 H new ATOM 0 HA VAL A 50 1.840 -8.583 8.133 1.00 0.00 H new ATOM 0 HB VAL A 50 1.686 -6.518 6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.214 -5.369 8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.025 -7.133 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.904 -6.339 9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.426 -4.418 7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.208 -5.348 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.797 -5.488 7.159 1.00 0.00 H new ATOM 749 N ASN A 51 2.880 -9.376 6.017 1.00 0.00 N ATOM 750 CA ASN A 51 3.534 -9.941 4.843 1.00 0.00 C ATOM 751 C ASN A 51 3.031 -9.276 3.566 1.00 0.00 C ATOM 752 O ASN A 51 2.140 -8.428 3.606 1.00 0.00 O ATOM 753 CB ASN A 51 3.290 -11.450 4.775 1.00 0.00 C ATOM 754 CG ASN A 51 3.909 -12.189 5.946 1.00 0.00 C ATOM 755 OD1 ASN A 51 3.219 -12.895 6.683 1.00 0.00 O ATOM 756 ND2 ASN A 51 5.215 -12.030 6.122 1.00 0.00 N ATOM 0 H ASN A 51 2.006 -9.835 6.275 1.00 0.00 H new ATOM 0 HA ASN A 51 4.605 -9.755 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.217 -11.641 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.701 -11.840 3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.687 -12.503 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.747 -11.435 5.486 1.00 0.00 H new ATOM 763 N GLU A 52 3.608 -9.667 2.434 1.00 0.00 N ATOM 764 CA GLU A 52 3.218 -9.107 1.145 1.00 0.00 C ATOM 765 C GLU A 52 1.701 -9.128 0.980 1.00 0.00 C ATOM 766 O GLU A 52 1.087 -8.109 0.665 1.00 0.00 O ATOM 767 CB GLU A 52 3.878 -9.886 0.005 1.00 0.00 C ATOM 768 CG GLU A 52 5.386 -10.003 0.141 1.00 0.00 C ATOM 769 CD GLU A 52 5.805 -11.190 0.987 1.00 0.00 C ATOM 770 OE1 GLU A 52 4.916 -11.860 1.552 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.023 -11.449 1.083 1.00 0.00 O ATOM 0 H GLU A 52 4.347 -10.369 2.383 1.00 0.00 H new ATOM 0 HA GLU A 52 3.555 -8.071 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.447 -10.886 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.644 -9.397 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.831 -10.093 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.779 -9.088 0.585 1.00 0.00 H new ATOM 778 N GLU A 53 1.105 -10.297 1.193 1.00 0.00 N ATOM 779 CA GLU A 53 -0.340 -10.451 1.066 1.00 0.00 C ATOM 780 C GLU A 53 -1.072 -9.317 1.778 1.00 0.00 C ATOM 781 O GLU A 53 -2.231 -9.027 1.478 1.00 0.00 O ATOM 782 CB GLU A 53 -0.783 -11.799 1.640 1.00 0.00 C ATOM 783 CG GLU A 53 -2.254 -12.104 1.408 1.00 0.00 C ATOM 784 CD GLU A 53 -2.680 -13.421 2.026 1.00 0.00 C ATOM 785 OE1 GLU A 53 -2.669 -13.525 3.270 1.00 0.00 O ATOM 786 OE2 GLU A 53 -3.026 -14.349 1.264 1.00 0.00 O ATOM 0 H GLU A 53 1.599 -11.150 1.454 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.593 -10.414 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.181 -12.590 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.582 -11.812 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.859 -11.299 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.452 -12.129 0.336 1.00 0.00 H new ATOM 793 N THR A 54 -0.389 -8.680 2.723 1.00 0.00 N ATOM 794 CA THR A 54 -0.973 -7.579 3.479 1.00 0.00 C ATOM 795 C THR A 54 -1.350 -6.421 2.562 1.00 0.00 C ATOM 796 O THR A 54 -0.557 -6.002 1.718 1.00 0.00 O ATOM 797 CB THR A 54 -0.008 -7.067 4.564 1.00 0.00 C ATOM 798 OG1 THR A 54 0.357 -8.139 5.440 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.643 -5.943 5.367 1.00 0.00 C ATOM 0 H THR A 54 0.570 -8.908 2.984 1.00 0.00 H new ATOM 0 HA THR A 54 -1.872 -7.967 3.958 1.00 0.00 H new ATOM 0 HB THR A 54 0.884 -6.680 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.882 -8.802 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.058 -5.598 6.127 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.893 -5.116 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.550 -6.308 5.849 1.00 0.00 H new ATOM 807 N VAL A 55 -2.563 -5.907 2.733 1.00 0.00 N ATOM 808 CA VAL A 55 -3.044 -4.795 1.922 1.00 0.00 C ATOM 809 C VAL A 55 -2.822 -3.463 2.629 1.00 0.00 C ATOM 810 O VAL A 55 -2.945 -3.369 3.850 1.00 0.00 O ATOM 811 CB VAL A 55 -4.541 -4.946 1.592 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.970 -3.907 0.567 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.837 -6.353 1.094 1.00 0.00 C ATOM 0 H VAL A 55 -3.231 -6.243 3.426 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.472 -4.810 0.994 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.115 -4.780 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.030 -4.030 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.796 -2.908 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.392 -4.038 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.899 -6.442 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.254 -6.551 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.570 -7.076 1.865 1.00 0.00 H new ATOM 823 N ILE A 56 -2.496 -2.434 1.853 1.00 0.00 N ATOM 824 CA ILE A 56 -2.259 -1.106 2.405 1.00 0.00 C ATOM 825 C ILE A 56 -3.404 -0.158 2.066 1.00 0.00 C ATOM 826 O ILE A 56 -3.761 0.010 0.900 1.00 0.00 O ATOM 827 CB ILE A 56 -0.940 -0.507 1.884 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.199 -1.518 2.034 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.613 0.780 2.627 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.516 -1.863 3.472 1.00 0.00 C ATOM 0 H ILE A 56 -2.390 -2.495 0.840 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.194 -1.221 3.487 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.057 -0.274 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.064 -2.431 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.095 -1.117 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.322 1.192 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.415 1.502 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.511 0.570 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.333 -2.584 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.810 -0.960 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.366 -2.294 3.946 1.00 0.00 H new ATOM 842 N PHE A 57 -3.976 0.462 3.093 1.00 0.00 N ATOM 843 CA PHE A 57 -5.080 1.396 2.905 1.00 0.00 C ATOM 844 C PHE A 57 -4.582 2.838 2.921 1.00 0.00 C ATOM 845 O PHE A 57 -3.563 3.148 3.538 1.00 0.00 O ATOM 846 CB PHE A 57 -6.136 1.196 3.994 1.00 0.00 C ATOM 847 CG PHE A 57 -6.972 -0.036 3.800 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.377 -1.282 3.682 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.353 0.051 3.737 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.144 -2.417 3.503 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.126 -1.082 3.558 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.520 -2.317 3.442 1.00 0.00 C ATOM 0 H PHE A 57 -3.693 0.334 4.065 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.530 1.197 1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.641 1.140 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.789 2.068 4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.301 -1.367 3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.832 1.015 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.668 -3.382 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.202 -1.001 3.509 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.121 -3.204 3.304 1.00 0.00 H new ATOM 862 N LYS A 58 -5.308 3.716 2.238 1.00 0.00 N ATOM 863 CA LYS A 58 -4.943 5.126 2.173 1.00 0.00 C ATOM 864 C LYS A 58 -5.639 5.920 3.274 1.00 0.00 C ATOM 865 O LYS A 58 -6.546 5.417 3.936 1.00 0.00 O ATOM 866 CB LYS A 58 -5.308 5.706 0.804 1.00 0.00 C ATOM 867 CG LYS A 58 -4.279 5.412 -0.274 1.00 0.00 C ATOM 868 CD LYS A 58 -4.925 5.294 -1.644 1.00 0.00 C ATOM 869 CE LYS A 58 -5.895 6.436 -1.904 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.610 6.273 -3.200 1.00 0.00 N ATOM 0 H LYS A 58 -6.154 3.476 1.721 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.866 5.203 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.272 5.304 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.427 6.786 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.531 6.205 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.756 4.486 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.152 5.290 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.453 4.343 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.621 6.487 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.351 7.381 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.544 7.156 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.176 5.498 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.610 6.052 -3.019 1.00 0.00 H new ATOM 884 N SER A 59 -5.208 7.163 3.464 1.00 0.00 N ATOM 885 CA SER A 59 -5.788 8.025 4.487 1.00 0.00 C ATOM 886 C SER A 59 -7.274 8.254 4.226 1.00 0.00 C ATOM 887 O SER A 59 -8.025 8.621 5.129 1.00 0.00 O ATOM 888 CB SER A 59 -5.053 9.366 4.530 1.00 0.00 C ATOM 889 OG SER A 59 -5.563 10.258 3.554 1.00 0.00 O ATOM 0 H SER A 59 -4.459 7.595 2.923 1.00 0.00 H new ATOM 0 HA SER A 59 -5.679 7.528 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.155 9.809 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.988 9.206 4.360 1.00 0.00 H new ATOM 0 HG SER A 59 -5.078 11.108 3.603 1.00 0.00 H new ATOM 895 N ASP A 60 -7.690 8.035 2.983 1.00 0.00 N ATOM 896 CA ASP A 60 -9.086 8.216 2.601 1.00 0.00 C ATOM 897 C ASP A 60 -9.855 6.904 2.718 1.00 0.00 C ATOM 898 O ASP A 60 -10.939 6.757 2.152 1.00 0.00 O ATOM 899 CB ASP A 60 -9.180 8.752 1.172 1.00 0.00 C ATOM 900 CG ASP A 60 -8.372 10.019 0.974 1.00 0.00 C ATOM 901 OD1 ASP A 60 -8.224 10.787 1.949 1.00 0.00 O ATOM 902 OD2 ASP A 60 -7.886 10.243 -0.154 1.00 0.00 O ATOM 0 H ASP A 60 -7.081 7.732 2.223 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.533 8.940 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.829 7.989 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.224 8.949 0.929 1.00 0.00 H new ATOM 907 N ARG A 61 -9.287 5.954 3.454 1.00 0.00 N ATOM 908 CA ARG A 61 -9.919 4.653 3.642 1.00 0.00 C ATOM 909 C ARG A 61 -10.093 3.935 2.307 1.00 0.00 C ATOM 910 O ARG A 61 -11.141 3.346 2.041 1.00 0.00 O ATOM 911 CB ARG A 61 -11.278 4.817 4.326 1.00 0.00 C ATOM 912 CG ARG A 61 -11.192 5.449 5.706 1.00 0.00 C ATOM 913 CD ARG A 61 -12.452 5.188 6.517 1.00 0.00 C ATOM 914 NE ARG A 61 -12.509 6.014 7.720 1.00 0.00 N ATOM 915 CZ ARG A 61 -12.972 7.259 7.735 1.00 0.00 C ATOM 916 NH1 ARG A 61 -13.417 7.819 6.618 1.00 0.00 N ATOM 917 NH2 ARG A 61 -12.992 7.947 8.870 1.00 0.00 N ATOM 0 H ARG A 61 -8.391 6.061 3.930 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.270 4.050 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.922 5.429 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.752 3.839 4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.327 5.051 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.038 6.523 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.328 5.386 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.491 4.135 6.798 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.175 5.613 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.404 7.293 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.772 8.775 6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.652 7.520 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.348 8.903 8.881 1.00 0.00 H new ATOM 931 N GLN A 62 -9.060 3.989 1.473 1.00 0.00 N ATOM 932 CA GLN A 62 -9.100 3.345 0.165 1.00 0.00 C ATOM 933 C GLN A 62 -7.898 2.425 -0.025 1.00 0.00 C ATOM 934 O GLN A 62 -6.751 2.867 0.032 1.00 0.00 O ATOM 935 CB GLN A 62 -9.133 4.397 -0.945 1.00 0.00 C ATOM 936 CG GLN A 62 -10.535 4.869 -1.293 1.00 0.00 C ATOM 937 CD GLN A 62 -10.541 6.213 -1.994 1.00 0.00 C ATOM 938 OE1 GLN A 62 -9.810 6.308 -3.099 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.195 7.157 -1.549 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.185 4.472 1.679 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.007 2.743 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.535 5.255 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.665 3.985 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.016 4.128 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.128 4.936 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.743 7.041 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.188 8.055 -2.033 1.00 0.00 H new ATOM 948 N ALA A 63 -8.170 1.144 -0.252 1.00 0.00 N ATOM 949 CA ALA A 63 -7.111 0.163 -0.453 1.00 0.00 C ATOM 950 C ALA A 63 -6.236 0.535 -1.645 1.00 0.00 C ATOM 951 O ALA A 63 -6.563 0.220 -2.789 1.00 0.00 O ATOM 952 CB ALA A 63 -7.706 -1.224 -0.644 1.00 0.00 C ATOM 0 H ALA A 63 -9.114 0.762 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.482 0.157 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.904 -1.947 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.282 -1.498 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.360 -1.223 -1.516 1.00 0.00 H new ATOM 958 N ALA A 64 -5.124 1.207 -1.370 1.00 0.00 N ATOM 959 CA ALA A 64 -4.202 1.621 -2.421 1.00 0.00 C ATOM 960 C ALA A 64 -3.663 0.416 -3.184 1.00 0.00 C ATOM 961 O ALA A 64 -3.504 0.462 -4.403 1.00 0.00 O ATOM 962 CB ALA A 64 -3.056 2.429 -1.829 1.00 0.00 C ATOM 0 H ALA A 64 -4.839 1.477 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.749 2.248 -3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.375 2.732 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.453 3.315 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.518 1.819 -1.103 1.00 0.00 H new ATOM 968 N GLY A 65 -3.382 -0.662 -2.458 1.00 0.00 N ATOM 969 CA GLY A 65 -2.863 -1.864 -3.084 1.00 0.00 C ATOM 970 C GLY A 65 -2.144 -2.766 -2.100 1.00 0.00 C ATOM 971 O GLY A 65 -1.895 -2.379 -0.958 1.00 0.00 O ATOM 0 H GLY A 65 -3.505 -0.724 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.684 -2.414 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.178 -1.586 -3.885 1.00 0.00 H new ATOM 975 N LYS A 66 -1.811 -3.974 -2.542 1.00 0.00 N ATOM 976 CA LYS A 66 -1.117 -4.935 -1.693 1.00 0.00 C ATOM 977 C LYS A 66 0.395 -4.801 -1.843 1.00 0.00 C ATOM 978 O LYS A 66 0.895 -4.481 -2.922 1.00 0.00 O ATOM 979 CB LYS A 66 -1.551 -6.361 -2.042 1.00 0.00 C ATOM 980 CG LYS A 66 -2.752 -6.842 -1.247 1.00 0.00 C ATOM 981 CD LYS A 66 -3.133 -8.265 -1.620 1.00 0.00 C ATOM 982 CE LYS A 66 -4.568 -8.579 -1.226 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.984 -9.935 -1.682 1.00 0.00 N ATOM 0 H LYS A 66 -2.011 -4.311 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.381 -4.725 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.786 -6.411 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.715 -7.039 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.528 -6.792 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.598 -6.179 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.010 -8.406 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.458 -8.965 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.670 -8.513 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.235 -7.831 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.968 -10.111 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.911 -9.990 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.364 -10.651 -1.252 1.00 0.00 H new ATOM 997 N ILE A 67 1.117 -5.050 -0.756 1.00 0.00 N ATOM 998 CA ILE A 67 2.572 -4.959 -0.769 1.00 0.00 C ATOM 999 C ILE A 67 3.163 -5.768 -1.918 1.00 0.00 C ATOM 1000 O ILE A 67 2.921 -6.970 -2.034 1.00 0.00 O ATOM 1001 CB ILE A 67 3.178 -5.454 0.558 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.067 -4.369 1.631 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.630 -5.861 0.357 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.062 -4.913 3.042 1.00 0.00 C ATOM 0 H ILE A 67 0.719 -5.316 0.144 1.00 0.00 H new ATOM 0 HA ILE A 67 2.822 -3.907 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 67 2.619 -6.328 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.900 -3.674 1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.152 -3.799 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.045 -6.209 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.685 -6.663 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.203 -5.004 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.981 -4.088 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.214 -5.585 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.988 -5.458 3.225 1.00 0.00 H new ATOM 1016 N PHE A 68 3.941 -5.102 -2.765 1.00 0.00 N ATOM 1017 CA PHE A 68 4.568 -5.760 -3.906 1.00 0.00 C ATOM 1018 C PHE A 68 5.977 -6.228 -3.556 1.00 0.00 C ATOM 1019 O PHE A 68 6.506 -7.152 -4.174 1.00 0.00 O ATOM 1020 CB PHE A 68 4.617 -4.810 -5.105 1.00 0.00 C ATOM 1021 CG PHE A 68 5.643 -5.195 -6.132 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.445 -6.296 -6.950 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.805 -4.455 -6.281 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.388 -6.652 -7.895 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.751 -4.806 -7.225 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.541 -5.906 -8.034 1.00 0.00 C ATOM 0 H PHE A 68 4.152 -4.108 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 68 3.968 -6.632 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.635 -4.782 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.829 -3.801 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.544 -6.882 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.973 -3.594 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.223 -7.514 -8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.653 -4.221 -7.330 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.278 -6.182 -8.774 1.00 0.00 H new ATOM 1036 N GLU A 69 6.579 -5.583 -2.561 1.00 0.00 N ATOM 1037 CA GLU A 69 7.927 -5.933 -2.130 1.00 0.00 C ATOM 1038 C GLU A 69 8.277 -5.237 -0.818 1.00 0.00 C ATOM 1039 O GLU A 69 7.688 -4.213 -0.470 1.00 0.00 O ATOM 1040 CB GLU A 69 8.945 -5.555 -3.208 1.00 0.00 C ATOM 1041 CG GLU A 69 10.379 -5.521 -2.706 1.00 0.00 C ATOM 1042 CD GLU A 69 11.391 -5.455 -3.834 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.744 -6.523 -4.376 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.829 -4.336 -4.174 1.00 0.00 O ATOM 0 H GLU A 69 6.155 -4.816 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 69 7.961 -7.011 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.873 -6.268 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.687 -4.576 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.511 -4.658 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.570 -6.409 -2.103 1.00 0.00 H new ATOM 1051 N ILE A 70 9.239 -5.800 -0.094 1.00 0.00 N ATOM 1052 CA ILE A 70 9.667 -5.234 1.179 1.00 0.00 C ATOM 1053 C ILE A 70 11.179 -5.336 1.344 1.00 0.00 C ATOM 1054 O ILE A 70 11.763 -6.405 1.167 1.00 0.00 O ATOM 1055 CB ILE A 70 8.983 -5.937 2.366 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.462 -5.898 2.203 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.398 -5.286 3.677 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.733 -6.869 3.104 1.00 0.00 C ATOM 0 H ILE A 70 9.736 -6.647 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 70 9.375 -4.184 1.172 1.00 0.00 H new ATOM 0 HB ILE A 70 9.300 -6.980 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.108 -4.888 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.210 -6.118 1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.906 -5.794 4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.479 -5.361 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.106 -4.236 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.659 -6.787 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.058 -7.885 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.955 -6.636 4.145 1.00 0.00 H new ATOM 1070 N PHE A 71 11.808 -4.217 1.687 1.00 0.00 N ATOM 1071 CA PHE A 71 13.253 -4.179 1.878 1.00 0.00 C ATOM 1072 C PHE A 71 13.625 -3.265 3.042 1.00 0.00 C ATOM 1073 O PHE A 71 12.771 -2.583 3.606 1.00 0.00 O ATOM 1074 CB PHE A 71 13.946 -3.704 0.599 1.00 0.00 C ATOM 1075 CG PHE A 71 13.500 -2.343 0.147 1.00 0.00 C ATOM 1076 CD1 PHE A 71 14.120 -1.201 0.628 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.461 -2.205 -0.759 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.712 0.053 0.213 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.050 -0.954 -1.178 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.675 0.177 -0.690 1.00 0.00 C ATOM 0 H PHE A 71 11.339 -3.324 1.838 1.00 0.00 H new ATOM 0 HA PHE A 71 13.590 -5.189 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.023 -3.689 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.755 -4.423 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.931 -1.292 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.967 -3.085 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.204 0.935 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.240 -0.861 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.353 1.156 -1.014 1.00 0.00 H new ATOM 1090 N GLY A 72 14.907 -3.257 3.395 1.00 0.00 N ATOM 1091 CA GLY A 72 15.370 -2.424 4.489 1.00 0.00 C ATOM 1092 C GLY A 72 15.620 -3.218 5.756 1.00 0.00 C ATOM 1093 O GLY A 72 15.732 -4.444 5.734 1.00 0.00 O ATOM 0 H GLY A 72 15.633 -3.813 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.289 -1.919 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.631 -1.649 4.690 1.00 0.00 H new ATOM 1097 N PRO A 73 15.714 -2.512 6.893 1.00 0.00 N ATOM 1098 CA PRO A 73 15.955 -3.138 8.196 1.00 0.00 C ATOM 1099 C PRO A 73 14.757 -3.946 8.682 1.00 0.00 C ATOM 1100 O PRO A 73 13.865 -4.281 7.903 1.00 0.00 O ATOM 1101 CB PRO A 73 16.206 -1.945 9.122 1.00 0.00 C ATOM 1102 CG PRO A 73 15.495 -0.807 8.474 1.00 0.00 C ATOM 1103 CD PRO A 73 15.591 -1.048 6.993 1.00 0.00 C ATOM 0 HA PRO A 73 16.781 -3.848 8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.821 -2.134 10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.272 -1.740 9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.454 -0.763 8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.953 0.144 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.708 -0.682 6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.453 -0.542 6.558 1.00 0.00 H new ATOM 1111 N VAL A 74 14.742 -4.256 9.974 1.00 0.00 N ATOM 1112 CA VAL A 74 13.652 -5.024 10.564 1.00 0.00 C ATOM 1113 C VAL A 74 12.792 -4.150 11.470 1.00 0.00 C ATOM 1114 O VAL A 74 11.759 -4.589 11.974 1.00 0.00 O ATOM 1115 CB VAL A 74 14.184 -6.219 11.377 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.910 -5.737 12.623 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.047 -7.161 11.743 1.00 0.00 C ATOM 0 H VAL A 74 15.473 -3.987 10.633 1.00 0.00 H new ATOM 0 HA VAL A 74 13.044 -5.396 9.739 1.00 0.00 H new ATOM 0 HB VAL A 74 14.896 -6.767 10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.279 -6.596 13.184 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.750 -5.105 12.333 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.223 -5.164 13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.440 -8.000 12.317 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.309 -6.626 12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.576 -7.533 10.833 1.00 0.00 H new ATOM 1127 N ALA A 75 13.226 -2.910 11.672 1.00 0.00 N ATOM 1128 CA ALA A 75 12.494 -1.973 12.516 1.00 0.00 C ATOM 1129 C ALA A 75 11.978 -0.790 11.703 1.00 0.00 C ATOM 1130 O ALA A 75 10.953 -0.194 12.036 1.00 0.00 O ATOM 1131 CB ALA A 75 13.377 -1.487 13.655 1.00 0.00 C ATOM 0 H ALA A 75 14.080 -2.531 11.263 1.00 0.00 H new ATOM 0 HA ALA A 75 11.634 -2.496 12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.817 -0.788 14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.693 -2.338 14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.255 -0.986 13.247 1.00 0.00 H new ATOM 1137 N HIS A 76 12.695 -0.454 10.635 1.00 0.00 N ATOM 1138 CA HIS A 76 12.309 0.658 9.774 1.00 0.00 C ATOM 1139 C HIS A 76 12.351 0.248 8.305 1.00 0.00 C ATOM 1140 O HIS A 76 12.876 0.962 7.450 1.00 0.00 O ATOM 1141 CB HIS A 76 13.231 1.855 10.007 1.00 0.00 C ATOM 1142 CG HIS A 76 13.308 2.281 11.441 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.383 3.119 12.028 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.206 1.978 12.408 1.00 0.00 C ATOM 1145 CE1 HIS A 76 12.710 3.314 13.293 1.00 0.00 C ATOM 1146 NE2 HIS A 76 13.812 2.633 13.549 1.00 0.00 N ATOM 0 H HIS A 76 13.546 -0.936 10.345 1.00 0.00 H new ATOM 0 HA HIS A 76 11.287 0.941 10.025 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.232 1.606 9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.882 2.694 9.405 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.573 3.525 11.559 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.071 1.340 12.302 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.168 3.927 13.998 1.00 0.00 H new ATOM 1154 N PRO A 77 11.785 -0.930 8.002 1.00 0.00 N ATOM 1155 CA PRO A 77 11.745 -1.462 6.637 1.00 0.00 C ATOM 1156 C PRO A 77 10.808 -0.668 5.733 1.00 0.00 C ATOM 1157 O PRO A 77 9.831 -0.081 6.198 1.00 0.00 O ATOM 1158 CB PRO A 77 11.224 -2.888 6.826 1.00 0.00 C ATOM 1159 CG PRO A 77 10.447 -2.842 8.096 1.00 0.00 C ATOM 1160 CD PRO A 77 11.140 -1.834 8.970 1.00 0.00 C ATOM 0 HA PRO A 77 12.720 -1.411 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.597 -3.194 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.044 -3.604 6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.413 -2.552 7.910 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.422 -3.821 8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.434 -1.302 9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.870 -2.306 9.627 1.00 0.00 H new ATOM 1168 N PHE A 78 11.111 -0.655 4.439 1.00 0.00 N ATOM 1169 CA PHE A 78 10.295 0.067 3.470 1.00 0.00 C ATOM 1170 C PHE A 78 9.442 -0.898 2.651 1.00 0.00 C ATOM 1171 O PHE A 78 9.939 -1.900 2.136 1.00 0.00 O ATOM 1172 CB PHE A 78 11.184 0.895 2.539 1.00 0.00 C ATOM 1173 CG PHE A 78 12.322 1.575 3.246 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.418 0.848 3.681 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.294 2.941 3.475 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.467 1.471 4.331 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.340 3.570 4.124 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.427 2.834 4.554 1.00 0.00 C ATOM 0 H PHE A 78 11.916 -1.136 4.037 1.00 0.00 H new ATOM 0 HA PHE A 78 9.631 0.736 4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.586 0.246 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.573 1.649 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.453 -0.218 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.446 3.521 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.317 0.893 4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.307 4.636 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.244 3.323 5.064 1.00 0.00 H new ATOM 1188 N TYR A 79 8.155 -0.588 2.536 1.00 0.00 N ATOM 1189 CA TYR A 79 7.231 -1.428 1.783 1.00 0.00 C ATOM 1190 C TYR A 79 6.933 -0.820 0.416 1.00 0.00 C ATOM 1191 O TYR A 79 6.873 0.401 0.266 1.00 0.00 O ATOM 1192 CB TYR A 79 5.930 -1.618 2.564 1.00 0.00 C ATOM 1193 CG TYR A 79 6.138 -2.124 3.974 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.544 -1.267 4.988 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.927 -3.461 4.290 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.736 -1.726 6.277 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.115 -3.928 5.577 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.520 -3.057 6.566 1.00 0.00 C ATOM 1199 OH TYR A 79 6.709 -3.518 7.849 1.00 0.00 O ATOM 0 H TYR A 79 7.728 0.239 2.955 1.00 0.00 H new ATOM 0 HA TYR A 79 7.702 -2.399 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.397 -0.668 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.292 -2.319 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.713 -0.224 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.611 -4.146 3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.053 -1.046 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.946 -4.970 5.807 1.00 0.00 H new ATOM 0 HH TYR A 79 6.513 -4.478 7.884 1.00 0.00 H new ATOM 1209 N VAL A 80 6.746 -1.681 -0.579 1.00 0.00 N ATOM 1210 CA VAL A 80 6.452 -1.231 -1.935 1.00 0.00 C ATOM 1211 C VAL A 80 5.015 -1.558 -2.322 1.00 0.00 C ATOM 1212 O VAL A 80 4.448 -2.552 -1.867 1.00 0.00 O ATOM 1213 CB VAL A 80 7.407 -1.873 -2.959 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.185 -1.279 -4.341 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.853 -1.698 -2.520 1.00 0.00 C ATOM 0 H VAL A 80 6.793 -2.694 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 80 6.592 -0.150 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 80 7.193 -2.941 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.868 -1.745 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.157 -1.461 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.370 -0.205 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.514 -2.157 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.083 -0.636 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.999 -2.176 -1.551 1.00 0.00 H new ATOM 1225 N LEU A 81 4.429 -0.715 -3.166 1.00 0.00 N ATOM 1226 CA LEU A 81 3.056 -0.914 -3.617 1.00 0.00 C ATOM 1227 C LEU A 81 3.019 -1.319 -5.087 1.00 0.00 C ATOM 1228 O LEU A 81 3.884 -0.927 -5.871 1.00 0.00 O ATOM 1229 CB LEU A 81 2.240 0.362 -3.407 1.00 0.00 C ATOM 1230 CG LEU A 81 1.705 0.591 -1.993 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.652 1.689 -1.992 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.133 -0.699 -1.423 1.00 0.00 C ATOM 0 H LEU A 81 4.883 0.113 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 81 2.619 -1.719 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.860 1.215 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.395 0.347 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 81 2.533 0.909 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.283 1.838 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.093 2.616 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.175 1.400 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.757 -0.517 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.318 -1.047 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.914 -1.458 -1.387 1.00 0.00 H new ATOM 1244 N ARG A 82 2.011 -2.104 -5.454 1.00 0.00 N ATOM 1245 CA ARG A 82 1.861 -2.560 -6.831 1.00 0.00 C ATOM 1246 C ARG A 82 1.065 -1.552 -7.654 1.00 0.00 C ATOM 1247 O ARG A 82 0.114 -0.945 -7.162 1.00 0.00 O ATOM 1248 CB ARG A 82 1.167 -3.923 -6.865 1.00 0.00 C ATOM 1249 CG ARG A 82 0.874 -4.422 -8.271 1.00 0.00 C ATOM 1250 CD ARG A 82 2.154 -4.696 -9.043 1.00 0.00 C ATOM 1251 NE ARG A 82 2.755 -5.974 -8.671 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.188 -7.151 -8.912 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.012 -7.211 -9.522 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.797 -8.271 -8.543 1.00 0.00 N ATOM 0 H ARG A 82 1.287 -2.437 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 82 2.856 -2.654 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.793 -4.653 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.232 -3.859 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.278 -5.333 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.278 -3.681 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.940 -4.694 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.867 -3.893 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 82 3.660 -5.962 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.541 -6.352 -9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.579 -8.116 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.702 -8.229 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.360 -9.174 -8.729 1.00 0.00 H new ATOM 1268 N PHE A 83 1.462 -1.377 -8.911 1.00 0.00 N ATOM 1269 CA PHE A 83 0.788 -0.441 -9.802 1.00 0.00 C ATOM 1270 C PHE A 83 1.172 -0.702 -11.256 1.00 0.00 C ATOM 1271 O PHE A 83 2.285 -1.136 -11.546 1.00 0.00 O ATOM 1272 CB PHE A 83 1.136 0.999 -9.422 1.00 0.00 C ATOM 1273 CG PHE A 83 0.498 1.452 -8.139 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -0.881 1.518 -8.022 1.00 0.00 C ATOM 1275 CD2 PHE A 83 1.277 1.811 -7.051 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.472 1.934 -6.843 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.692 2.226 -5.870 1.00 0.00 C ATOM 1278 CZ PHE A 83 -0.683 2.289 -5.766 1.00 0.00 C ATOM 0 H PHE A 83 2.247 -1.872 -9.335 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.287 -0.588 -9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.218 1.091 -9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.825 1.664 -10.228 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.502 1.241 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.353 1.766 -7.127 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.548 1.981 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.310 2.501 -5.028 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.141 2.615 -4.844 1.00 0.00 H new ATOM 1288 N ASN A 84 0.240 -0.434 -12.165 1.00 0.00 N ATOM 1289 CA ASN A 84 0.479 -0.640 -13.589 1.00 0.00 C ATOM 1290 C ASN A 84 1.377 0.456 -14.154 1.00 0.00 C ATOM 1291 O ASN A 84 2.338 0.177 -14.872 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.847 -0.672 -14.351 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.428 -2.070 -14.441 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -0.911 -2.924 -15.161 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.510 -2.309 -13.709 1.00 0.00 N ATOM 0 H ASN A 84 -0.688 -0.074 -11.941 1.00 0.00 H new ATOM 0 HA ASN A 84 0.984 -1.598 -13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.563 -0.015 -13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.695 -0.279 -15.356 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.946 -3.231 -13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.905 -1.571 -13.126 1.00 0.00 H new ATOM 1302 N SER A 85 1.058 1.703 -13.825 1.00 0.00 N ATOM 1303 CA SER A 85 1.833 2.842 -14.302 1.00 0.00 C ATOM 1304 C SER A 85 1.532 4.089 -13.476 1.00 0.00 C ATOM 1305 O SER A 85 0.601 4.104 -12.671 1.00 0.00 O ATOM 1306 CB SER A 85 1.532 3.109 -15.778 1.00 0.00 C ATOM 1307 OG SER A 85 2.313 2.277 -16.617 1.00 0.00 O ATOM 0 H SER A 85 0.268 1.951 -13.230 1.00 0.00 H new ATOM 0 HA SER A 85 2.890 2.601 -14.192 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.474 2.937 -15.973 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.733 4.155 -16.010 1.00 0.00 H new ATOM 0 HG SER A 85 2.463 1.415 -16.175 1.00 0.00 H new ATOM 1313 N SER A 86 2.327 5.134 -13.681 1.00 0.00 N ATOM 1314 CA SER A 86 2.149 6.385 -12.953 1.00 0.00 C ATOM 1315 C SER A 86 0.669 6.728 -12.816 1.00 0.00 C ATOM 1316 O SER A 86 0.168 6.935 -11.710 1.00 0.00 O ATOM 1317 CB SER A 86 2.884 7.523 -13.665 1.00 0.00 C ATOM 1318 OG SER A 86 2.487 7.615 -15.023 1.00 0.00 O ATOM 0 H SER A 86 3.101 5.139 -14.345 1.00 0.00 H new ATOM 0 HA SER A 86 2.569 6.259 -11.955 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.679 8.466 -13.158 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.960 7.358 -13.608 1.00 0.00 H new ATOM 0 HG SER A 86 2.969 8.350 -15.456 1.00 0.00 H new ATOM 1324 N ASP A 87 -0.026 6.785 -13.947 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.449 7.102 -13.954 1.00 0.00 C ATOM 1326 C ASP A 87 -2.161 6.433 -12.782 1.00 0.00 C ATOM 1327 O ASP A 87 -2.869 7.087 -12.016 1.00 0.00 O ATOM 1328 CB ASP A 87 -2.085 6.659 -15.273 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.580 5.227 -15.225 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -1.773 4.311 -15.488 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.774 5.022 -14.923 1.00 0.00 O ATOM 0 H ASP A 87 0.373 6.616 -14.870 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.556 8.182 -13.852 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.918 7.320 -15.512 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.356 6.762 -16.077 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.969 5.124 -12.649 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.592 4.366 -11.570 1.00 0.00 C ATOM 1338 C HIS A 88 -2.405 5.072 -10.231 1.00 0.00 C ATOM 1339 O HIS A 88 -3.367 5.291 -9.494 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.005 2.956 -11.504 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.850 1.990 -10.732 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.930 0.648 -11.038 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.655 2.178 -9.660 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.749 0.053 -10.189 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.201 0.959 -9.342 1.00 0.00 N ATOM 0 H HIS A 88 -1.387 4.567 -13.275 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.660 4.297 -11.777 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.872 2.579 -12.518 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.016 3.004 -11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.834 3.113 -9.150 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.005 -0.996 -10.188 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.850 0.782 -8.576 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.162 5.424 -9.922 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.849 6.105 -8.672 1.00 0.00 C ATOM 1355 C ILE A 89 -1.496 7.485 -8.621 1.00 0.00 C ATOM 1356 O ILE A 89 -2.294 7.775 -7.731 1.00 0.00 O ATOM 1357 CB ILE A 89 0.671 6.255 -8.477 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.334 4.879 -8.383 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.967 7.077 -7.232 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.721 4.302 -9.727 1.00 0.00 C ATOM 0 H ILE A 89 -0.355 5.249 -10.520 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.250 5.488 -7.868 1.00 0.00 H new ATOM 0 HB ILE A 89 1.083 6.778 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.225 4.956 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.653 4.190 -7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.046 7.174 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.523 8.067 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.545 6.580 -6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.185 3.326 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.831 4.193 -10.346 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.426 4.971 -10.220 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.146 8.332 -9.584 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.693 9.682 -9.649 1.00 0.00 C ATOM 1374 C GLU A 90 -3.174 9.687 -9.282 1.00 0.00 C ATOM 1375 O GLU A 90 -3.663 10.617 -8.640 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.502 10.267 -11.050 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.087 10.752 -11.320 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.011 11.699 -12.501 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.872 12.598 -12.599 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.912 11.542 -13.328 1.00 0.00 O ATOM 0 H GLU A 90 -0.487 8.107 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.155 10.299 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.765 9.510 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.194 11.098 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.297 11.253 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.558 9.893 -11.505 1.00 0.00 H new ATOM 1387 N SER A 91 -3.884 8.641 -9.695 1.00 0.00 N ATOM 1388 CA SER A 91 -5.310 8.526 -9.413 1.00 0.00 C ATOM 1389 C SER A 91 -5.555 8.333 -7.920 1.00 0.00 C ATOM 1390 O SER A 91 -6.338 9.061 -7.308 1.00 0.00 O ATOM 1391 CB SER A 91 -5.913 7.358 -10.196 1.00 0.00 C ATOM 1392 OG SER A 91 -7.313 7.514 -10.347 1.00 0.00 O ATOM 0 H SER A 91 -3.495 7.862 -10.226 1.00 0.00 H new ATOM 0 HA SER A 91 -5.793 9.452 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.443 7.293 -11.177 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.702 6.422 -9.679 1.00 0.00 H new ATOM 0 HG SER A 91 -7.674 6.756 -10.852 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.881 7.347 -7.339 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.022 7.057 -5.917 1.00 0.00 C ATOM 1400 C LYS A 92 -4.709 8.290 -5.076 1.00 0.00 C ATOM 1401 O LYS A 92 -5.278 8.482 -4.002 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.099 5.905 -5.516 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.318 4.639 -6.326 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.477 3.822 -5.782 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.392 2.369 -6.224 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.552 1.572 -5.737 1.00 0.00 N ATOM 0 H LYS A 92 -4.231 6.734 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.056 6.766 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.063 6.224 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.249 5.681 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.513 4.901 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.410 4.037 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.479 3.872 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.419 4.252 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.351 2.322 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.467 1.929 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.700 0.755 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.362 1.237 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.405 2.166 -5.736 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.801 9.125 -5.572 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.429 10.329 -4.854 1.00 0.00 C ATOM 1422 C GLY A 93 -2.198 10.133 -3.991 1.00 0.00 C ATOM 1423 O GLY A 93 -1.809 11.029 -3.240 1.00 0.00 O ATOM 0 H GLY A 93 -3.316 8.988 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.244 11.132 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.262 10.646 -4.227 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.584 8.960 -4.097 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.391 8.650 -3.320 1.00 0.00 C ATOM 1429 C ILE A 94 0.807 9.461 -3.803 1.00 0.00 C ATOM 1430 O ILE A 94 1.085 9.524 -5.001 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.045 7.151 -3.393 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.289 6.304 -3.117 1.00 0.00 C ATOM 1433 CG2 ILE A 94 1.062 6.814 -2.405 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.194 4.895 -3.660 1.00 0.00 C ATOM 0 H ILE A 94 -1.893 8.208 -4.714 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.612 8.914 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 94 0.310 6.924 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.457 6.259 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.158 6.796 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.295 5.751 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.952 7.396 -2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.733 7.053 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.111 4.353 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.057 4.930 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.345 4.386 -3.203 1.00 0.00 H new ATOM 1446 N LYS A 95 1.514 10.078 -2.864 1.00 0.00 N ATOM 1447 CA LYS A 95 2.685 10.883 -3.192 1.00 0.00 C ATOM 1448 C LYS A 95 3.617 11.002 -1.991 1.00 0.00 C ATOM 1449 O LYS A 95 3.289 10.555 -0.892 1.00 0.00 O ATOM 1450 CB LYS A 95 2.257 12.277 -3.659 1.00 0.00 C ATOM 1451 CG LYS A 95 1.250 12.944 -2.737 1.00 0.00 C ATOM 1452 CD LYS A 95 1.899 13.406 -1.443 1.00 0.00 C ATOM 1453 CE LYS A 95 0.955 14.272 -0.624 1.00 0.00 C ATOM 1454 NZ LYS A 95 -0.151 13.475 -0.025 1.00 0.00 N ATOM 0 H LYS A 95 1.297 10.036 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 95 3.223 10.385 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.140 12.911 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.828 12.201 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.800 13.797 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.444 12.246 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.200 12.538 -0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.805 13.968 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.514 14.770 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.537 15.054 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.886 14.117 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.561 12.851 -0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.220 12.900 0.758 1.00 0.00 H new ATOM 1468 N ILE A 96 4.779 11.610 -2.207 1.00 0.00 N ATOM 1469 CA ILE A 96 5.757 11.789 -1.142 1.00 0.00 C ATOM 1470 C ILE A 96 5.147 12.528 0.045 1.00 0.00 C ATOM 1471 O ILE A 96 4.336 13.439 -0.126 1.00 0.00 O ATOM 1472 CB ILE A 96 6.992 12.566 -1.636 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.632 11.846 -2.824 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.998 12.734 -0.507 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.406 10.606 -2.434 1.00 0.00 C ATOM 0 H ILE A 96 5.066 11.987 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 96 6.067 10.793 -0.827 1.00 0.00 H new ATOM 0 HB ILE A 96 6.674 13.556 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.852 11.569 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.301 12.535 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.865 13.285 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.536 13.285 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.314 11.753 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.832 10.147 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.208 10.878 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.736 9.898 -1.946 1.00 0.00 H new ATOM 1487 N LYS A 97 5.544 12.131 1.249 1.00 0.00 N ATOM 1488 CA LYS A 97 5.040 12.756 2.466 1.00 0.00 C ATOM 1489 C LYS A 97 3.564 12.434 2.672 1.00 0.00 C ATOM 1490 O LYS A 97 2.789 13.285 3.108 1.00 0.00 O ATOM 1491 CB LYS A 97 5.239 14.273 2.405 1.00 0.00 C ATOM 1492 CG LYS A 97 6.653 14.687 2.037 1.00 0.00 C ATOM 1493 CD LYS A 97 7.557 14.726 3.258 1.00 0.00 C ATOM 1494 CE LYS A 97 9.026 14.676 2.865 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.898 15.301 3.898 1.00 0.00 N ATOM 0 H LYS A 97 6.214 11.379 1.408 1.00 0.00 H new ATOM 0 HA LYS A 97 5.602 12.356 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.545 14.693 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.984 14.704 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.059 13.989 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.635 15.669 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.362 15.635 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.325 13.885 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.327 13.639 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.165 15.189 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.891 15.247 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.628 16.298 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.785 14.796 4.800 1.00 0.00 H new ATOM 1509 N GLU A 98 3.182 11.200 2.357 1.00 0.00 N ATOM 1510 CA GLU A 98 1.798 10.767 2.509 1.00 0.00 C ATOM 1511 C GLU A 98 1.704 9.565 3.445 1.00 0.00 C ATOM 1512 O GLU A 98 2.143 8.465 3.109 1.00 0.00 O ATOM 1513 CB GLU A 98 1.199 10.414 1.146 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.318 10.318 1.155 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.812 8.920 1.471 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.162 8.229 2.283 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.850 8.517 0.906 1.00 0.00 O ATOM 0 H GLU A 98 3.811 10.483 1.995 1.00 0.00 H new ATOM 0 HA GLU A 98 1.232 11.590 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.503 11.167 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.613 9.463 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.718 11.016 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.704 10.624 0.183 1.00 0.00 H new ATOM 1524 N THR A 99 1.128 9.784 4.623 1.00 0.00 N ATOM 1525 CA THR A 99 0.977 8.722 5.609 1.00 0.00 C ATOM 1526 C THR A 99 -0.076 7.711 5.171 1.00 0.00 C ATOM 1527 O THR A 99 -1.141 8.084 4.680 1.00 0.00 O ATOM 1528 CB THR A 99 0.588 9.287 6.989 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.307 10.499 7.242 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.882 8.278 8.089 1.00 0.00 C ATOM 0 H THR A 99 0.758 10.688 4.917 1.00 0.00 H new ATOM 0 HA THR A 99 1.944 8.225 5.688 1.00 0.00 H new ATOM 0 HB THR A 99 -0.482 9.494 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.053 10.853 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.599 8.699 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.311 7.367 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.947 8.044 8.093 1.00 0.00 H new ATOM 1538 N MET A 100 0.228 6.430 5.353 1.00 0.00 N ATOM 1539 CA MET A 100 -0.695 5.365 4.978 1.00 0.00 C ATOM 1540 C MET A 100 -1.128 4.565 6.202 1.00 0.00 C ATOM 1541 O MET A 100 -0.552 4.702 7.281 1.00 0.00 O ATOM 1542 CB MET A 100 -0.046 4.436 3.951 1.00 0.00 C ATOM 1543 CG MET A 100 0.493 5.163 2.729 1.00 0.00 C ATOM 1544 SD MET A 100 0.444 4.149 1.239 1.00 0.00 S ATOM 1545 CE MET A 100 -1.089 4.706 0.501 1.00 0.00 C ATOM 0 H MET A 100 1.106 6.104 5.758 1.00 0.00 H new ATOM 0 HA MET A 100 -1.579 5.824 4.534 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.769 3.892 4.429 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.778 3.695 3.629 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.088 6.070 2.565 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.521 5.473 2.919 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.296 4.120 -0.394 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.903 4.579 1.214 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.002 5.759 0.233 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.147 3.730 6.028 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.658 2.909 7.119 1.00 0.00 C ATOM 1557 C TYR A 101 -3.119 1.548 6.608 1.00 0.00 C ATOM 1558 O TYR A 101 -3.322 1.358 5.408 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.816 3.621 7.821 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.519 5.062 8.170 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.460 6.039 7.182 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.295 5.447 9.486 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.188 7.356 7.496 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.024 6.763 9.809 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.971 7.713 8.811 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.700 9.024 9.128 1.00 0.00 O ATOM 0 H TYR A 101 -2.635 3.604 5.141 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.849 2.754 7.832 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.696 3.586 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.065 3.079 8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.630 5.763 6.152 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.333 4.705 10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.145 8.102 6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.855 7.046 10.837 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.573 9.107 10.096 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.283 0.602 7.527 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.719 -0.743 7.171 1.00 0.00 C ATOM 1578 C PHE A 102 -4.832 -1.217 8.100 1.00 0.00 C ATOM 1579 O PHE A 102 -5.196 -0.528 9.053 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.540 -1.717 7.230 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.737 -1.610 8.495 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.338 -1.793 9.730 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.382 -1.327 8.448 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.601 -1.695 10.895 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.360 -1.227 9.610 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.250 -1.413 10.835 1.00 0.00 C ATOM 0 H PHE A 102 -3.120 0.742 8.524 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.107 -0.715 6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.915 -2.736 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.886 -1.535 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.394 -2.015 9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.100 -1.183 7.493 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.081 -1.839 11.852 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.415 -1.004 9.560 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.328 -1.338 11.744 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.369 -2.399 7.815 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.440 -2.967 8.626 1.00 0.00 C ATOM 1598 C ALA A 103 -6.066 -4.355 9.135 1.00 0.00 C ATOM 1599 O ALA A 103 -6.085 -5.329 8.381 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.732 -3.027 7.825 1.00 0.00 C ATOM 0 H ALA A 103 -5.080 -2.982 7.029 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.590 -2.320 9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.523 -3.453 8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.015 -2.021 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.585 -3.650 6.943 1.00 0.00 H new