USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 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 Single : A 16 THR OG1 : rot 46:sc= 0.417 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.448 (180deg=-1.21) USER MOD Single : A 32 SER OG : rot 160:sc= -0.784 USER MOD Single : A 33 SER OG : rot 29:sc= 0.24 USER MOD Single : A 37 GLN : amide:sc= -2.21 K(o=-2.2,f=-3.3!) USER MOD Single : A 43 SER OG : rot -84:sc= -0.443 USER MOD Single : A 44 MET CE :methyl 180:sc= -1 (180deg=-1) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 46 ASN : amide:sc= 1.15 K(o=1.1,f=-0.17) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 72:sc= 0.369 USER MOD Single : A 58 LYS NZ :NH3+ -126:sc= 0.889 (180deg=-3.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.0231 X(o=0.023,f=-0.19) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 85 SER OG : rot 22:sc= 0.17 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.3) 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+ -129:sc= -0.187 (180deg=-0.867) 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 -178:sc= -0.487 (180deg=-0.499) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.826 -1.383 -5.440 1.00 0.00 N ATOM 191 CA THR A 16 -10.686 -0.368 -4.846 1.00 0.00 C ATOM 192 C THR A 16 -11.539 -0.955 -3.728 1.00 0.00 C ATOM 193 O THR A 16 -12.598 -1.530 -3.979 1.00 0.00 O ATOM 194 CB THR A 16 -11.611 0.271 -5.900 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.287 -0.749 -6.642 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.818 1.156 -6.850 1.00 0.00 C ATOM 0 HA THR A 16 -10.031 0.400 -4.434 1.00 0.00 H new ATOM 0 HB THR A 16 -12.345 0.888 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.642 -1.422 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.492 1.596 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.329 1.950 -6.285 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.064 0.557 -7.361 1.00 0.00 H new ATOM 204 N ILE A 17 -11.071 -0.807 -2.493 1.00 0.00 N ATOM 205 CA ILE A 17 -11.793 -1.322 -1.336 1.00 0.00 C ATOM 206 C ILE A 17 -12.001 -0.233 -0.289 1.00 0.00 C ATOM 207 O ILE A 17 -11.039 0.311 0.255 1.00 0.00 O ATOM 208 CB ILE A 17 -11.049 -2.505 -0.690 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.881 -3.643 -1.699 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.796 -2.990 0.544 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.898 -4.704 -1.255 1.00 0.00 C ATOM 0 H ILE A 17 -10.195 -0.335 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.763 -1.666 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.059 -2.168 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.851 -4.108 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.550 -3.228 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.258 -3.827 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.869 -2.178 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.797 -3.313 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.829 -5.479 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.917 -4.252 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.238 -5.146 -0.319 1.00 0.00 H new ATOM 223 N ILE A 18 -13.262 0.078 -0.010 1.00 0.00 N ATOM 224 CA ILE A 18 -13.596 1.100 0.975 1.00 0.00 C ATOM 225 C ILE A 18 -13.787 0.488 2.359 1.00 0.00 C ATOM 226 O ILE A 18 -14.536 -0.476 2.526 1.00 0.00 O ATOM 227 CB ILE A 18 -14.876 1.862 0.583 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.742 2.433 -0.831 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.158 2.973 1.584 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.691 3.515 -0.949 1.00 0.00 C ATOM 0 H ILE A 18 -14.069 -0.363 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.760 1.799 1.001 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.715 1.166 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.498 1.624 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.705 2.837 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.065 3.503 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.291 2.543 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.320 3.670 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.651 3.873 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.945 4.342 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.719 3.110 -0.668 1.00 0.00 H new ATOM 242 N LEU A 19 -13.106 1.055 3.349 1.00 0.00 N ATOM 243 CA LEU A 19 -13.202 0.567 4.720 1.00 0.00 C ATOM 244 C LEU A 19 -14.217 1.378 5.518 1.00 0.00 C ATOM 245 O LEU A 19 -14.254 2.607 5.454 1.00 0.00 O ATOM 246 CB LEU A 19 -11.833 0.630 5.401 1.00 0.00 C ATOM 247 CG LEU A 19 -11.586 -0.396 6.507 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.595 -1.807 5.939 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.268 -0.112 7.213 1.00 0.00 C ATOM 0 H LEU A 19 -12.482 1.853 3.228 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.538 -0.469 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.064 0.505 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.705 1.627 5.823 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.391 -0.315 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.418 -2.523 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.563 -2.008 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.811 -1.902 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.108 -0.852 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.451 -0.164 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.299 0.884 7.655 1.00 0.00 H new ATOM 261 N PRO A 20 -15.061 0.677 6.290 1.00 0.00 N ATOM 262 CA PRO A 20 -16.090 1.313 7.117 1.00 0.00 C ATOM 263 C PRO A 20 -15.497 2.080 8.293 1.00 0.00 C ATOM 264 O PRO A 20 -14.278 2.170 8.436 1.00 0.00 O ATOM 265 CB PRO A 20 -16.924 0.130 7.617 1.00 0.00 C ATOM 266 CG PRO A 20 -15.992 -1.032 7.580 1.00 0.00 C ATOM 267 CD PRO A 20 -15.073 -0.790 6.415 1.00 0.00 C ATOM 0 HA PRO A 20 -16.664 2.051 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.297 0.307 8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.793 -0.039 6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.430 -1.111 8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.539 -1.967 7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.075 -1.186 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.441 -1.268 5.507 1.00 0.00 H new ATOM 275 N GLU A 21 -16.367 2.632 9.134 1.00 0.00 N ATOM 276 CA GLU A 21 -15.927 3.393 10.297 1.00 0.00 C ATOM 277 C GLU A 21 -15.817 2.493 11.525 1.00 0.00 C ATOM 278 O GLU A 21 -15.721 2.975 12.654 1.00 0.00 O ATOM 279 CB GLU A 21 -16.896 4.543 10.579 1.00 0.00 C ATOM 280 CG GLU A 21 -18.295 4.082 10.953 1.00 0.00 C ATOM 281 CD GLU A 21 -19.172 5.219 11.441 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.410 6.162 10.658 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.620 5.165 12.606 1.00 0.00 O ATOM 0 H GLU A 21 -17.380 2.566 9.031 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.941 3.804 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.496 5.154 11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.956 5.181 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.763 3.613 10.087 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.227 3.321 11.730 1.00 0.00 H new ATOM 290 N ASP A 22 -15.832 1.185 11.296 1.00 0.00 N ATOM 291 CA ASP A 22 -15.734 0.217 12.382 1.00 0.00 C ATOM 292 C ASP A 22 -14.316 -0.334 12.492 1.00 0.00 C ATOM 293 O ASP A 22 -13.970 -0.993 13.474 1.00 0.00 O ATOM 294 CB ASP A 22 -16.724 -0.928 12.165 1.00 0.00 C ATOM 295 CG ASP A 22 -18.079 -0.648 12.785 1.00 0.00 C ATOM 296 OD1 ASP A 22 -18.252 -0.939 13.987 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.966 -0.138 12.068 1.00 0.00 O ATOM 0 H ASP A 22 -15.911 0.770 10.368 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.980 0.727 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.846 -1.101 11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.315 -1.844 12.592 1.00 0.00 H new ATOM 302 N ILE A 23 -13.500 -0.061 11.480 1.00 0.00 N ATOM 303 CA ILE A 23 -12.120 -0.530 11.463 1.00 0.00 C ATOM 304 C ILE A 23 -11.162 0.566 11.917 1.00 0.00 C ATOM 305 O ILE A 23 -11.384 1.747 11.652 1.00 0.00 O ATOM 306 CB ILE A 23 -11.705 -1.009 10.060 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.922 -1.538 9.297 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.631 -2.082 10.163 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.797 -2.459 10.119 1.00 0.00 C ATOM 0 H ILE A 23 -13.771 0.483 10.661 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.064 -1.370 12.156 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.294 -0.162 9.510 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.520 -0.694 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.581 -2.071 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.348 -2.411 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.757 -1.675 10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.017 -2.930 10.728 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.640 -2.795 9.515 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.215 -3.322 10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.168 -1.924 10.993 1.00 0.00 H new ATOM 321 N GLU A 24 -10.095 0.166 12.602 1.00 0.00 N ATOM 322 CA GLU A 24 -9.102 1.114 13.092 1.00 0.00 C ATOM 323 C GLU A 24 -7.871 1.129 12.190 1.00 0.00 C ATOM 324 O GLU A 24 -7.133 0.145 12.112 1.00 0.00 O ATOM 325 CB GLU A 24 -8.694 0.765 14.525 1.00 0.00 C ATOM 326 CG GLU A 24 -7.428 1.468 14.986 1.00 0.00 C ATOM 327 CD GLU A 24 -7.329 1.561 16.496 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.823 0.604 17.118 1.00 0.00 O ATOM 329 OE2 GLU A 24 -7.758 2.592 17.055 1.00 0.00 O ATOM 0 H GLU A 24 -9.897 -0.808 12.830 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.550 2.107 13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.510 1.025 15.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.549 -0.313 14.600 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.559 0.934 14.601 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.399 2.471 14.561 1.00 0.00 H new ATOM 336 N LEU A 25 -7.656 2.249 11.510 1.00 0.00 N ATOM 337 CA LEU A 25 -6.515 2.393 10.613 1.00 0.00 C ATOM 338 C LEU A 25 -5.285 2.881 11.370 1.00 0.00 C ATOM 339 O LEU A 25 -5.274 3.986 11.912 1.00 0.00 O ATOM 340 CB LEU A 25 -6.851 3.365 9.481 1.00 0.00 C ATOM 341 CG LEU A 25 -7.825 2.851 8.420 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.106 3.930 7.386 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.273 1.600 7.752 1.00 0.00 C ATOM 0 H LEU A 25 -8.257 3.071 11.563 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.292 1.414 10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.268 4.271 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.923 3.649 8.986 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.764 2.593 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.801 3.546 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.544 4.799 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.174 4.219 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.979 1.248 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.321 1.832 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.124 0.823 8.502 1.00 0.00 H new ATOM 355 N LYS A 26 -4.248 2.050 11.402 1.00 0.00 N ATOM 356 CA LYS A 26 -3.010 2.398 12.089 1.00 0.00 C ATOM 357 C LYS A 26 -1.981 2.954 11.109 1.00 0.00 C ATOM 358 O LYS A 26 -1.876 2.512 9.965 1.00 0.00 O ATOM 359 CB LYS A 26 -2.438 1.171 12.803 1.00 0.00 C ATOM 360 CG LYS A 26 -3.276 0.708 13.983 1.00 0.00 C ATOM 361 CD LYS A 26 -3.160 -0.792 14.194 1.00 0.00 C ATOM 362 CE LYS A 26 -4.116 -1.557 13.292 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.890 -3.027 13.365 1.00 0.00 N ATOM 0 H LYS A 26 -4.241 1.131 10.960 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.237 3.168 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.350 0.353 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.431 1.400 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.955 1.229 14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.320 0.973 13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.137 -1.110 13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.371 -1.031 15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.144 -1.333 13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.991 -1.221 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.561 -3.513 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.917 -3.244 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.034 -3.352 14.342 1.00 0.00 H new ATOM 377 N PRO A 27 -1.203 3.945 11.567 1.00 0.00 N ATOM 378 CA PRO A 27 -0.167 4.582 10.747 1.00 0.00 C ATOM 379 C PRO A 27 1.010 3.651 10.475 1.00 0.00 C ATOM 380 O PRO A 27 1.859 3.437 11.342 1.00 0.00 O ATOM 381 CB PRO A 27 0.278 5.772 11.600 1.00 0.00 C ATOM 382 CG PRO A 27 -0.037 5.374 13.001 1.00 0.00 C ATOM 383 CD PRO A 27 -1.273 4.522 12.920 1.00 0.00 C ATOM 0 HA PRO A 27 -0.541 4.862 9.762 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.342 5.972 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.253 6.681 11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.790 4.821 13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.207 6.250 13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.278 3.748 13.687 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.178 5.113 13.058 1.00 0.00 H new ATOM 391 N LEU A 28 1.056 3.101 9.267 1.00 0.00 N ATOM 392 CA LEU A 28 2.130 2.193 8.881 1.00 0.00 C ATOM 393 C LEU A 28 3.412 2.963 8.579 1.00 0.00 C ATOM 394 O LEU A 28 4.506 2.537 8.948 1.00 0.00 O ATOM 395 CB LEU A 28 1.716 1.371 7.659 1.00 0.00 C ATOM 396 CG LEU A 28 2.849 0.918 6.739 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.433 -0.310 5.943 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.262 2.046 5.805 1.00 0.00 C ATOM 0 H LEU A 28 0.362 3.268 8.538 1.00 0.00 H new ATOM 0 HA LEU A 28 2.320 1.520 9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.181 0.487 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.012 1.960 7.072 1.00 0.00 H new ATOM 0 HG LEU A 28 3.707 0.652 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.253 -0.618 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.188 -1.122 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.559 -0.072 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.070 1.705 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.409 2.344 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.603 2.898 6.393 1.00 0.00 H new ATOM 410 N GLY A 29 3.268 4.101 7.906 1.00 0.00 N ATOM 411 CA GLY A 29 4.422 4.914 7.568 1.00 0.00 C ATOM 412 C GLY A 29 4.077 6.043 6.618 1.00 0.00 C ATOM 413 O GLY A 29 2.935 6.498 6.573 1.00 0.00 O ATOM 0 H GLY A 29 2.373 4.474 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.850 5.329 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.187 4.283 7.115 1.00 0.00 H new ATOM 417 N MET A 30 5.068 6.497 5.857 1.00 0.00 N ATOM 418 CA MET A 30 4.863 7.581 4.903 1.00 0.00 C ATOM 419 C MET A 30 5.675 7.348 3.633 1.00 0.00 C ATOM 420 O MET A 30 6.740 6.731 3.669 1.00 0.00 O ATOM 421 CB MET A 30 5.249 8.921 5.531 1.00 0.00 C ATOM 422 CG MET A 30 4.595 10.118 4.859 1.00 0.00 C ATOM 423 SD MET A 30 4.989 11.675 5.677 1.00 0.00 S ATOM 424 CE MET A 30 6.766 11.733 5.459 1.00 0.00 C ATOM 0 H MET A 30 6.020 6.131 5.882 1.00 0.00 H new ATOM 0 HA MET A 30 3.806 7.604 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.974 8.911 6.586 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.332 9.036 5.485 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.917 10.167 3.819 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.514 9.980 4.851 1.00 0.00 H new ATOM 0 HE1 MET A 30 7.123 12.745 5.649 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.241 11.043 6.157 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.017 11.446 4.438 1.00 0.00 H new ATOM 434 N VAL A 31 5.165 7.845 2.510 1.00 0.00 N ATOM 435 CA VAL A 31 5.844 7.692 1.229 1.00 0.00 C ATOM 436 C VAL A 31 7.227 8.332 1.260 1.00 0.00 C ATOM 437 O VAL A 31 7.369 9.513 1.575 1.00 0.00 O ATOM 438 CB VAL A 31 5.027 8.316 0.082 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.749 8.141 -1.245 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.635 7.705 0.026 1.00 0.00 C ATOM 0 H VAL A 31 4.284 8.357 2.462 1.00 0.00 H new ATOM 0 HA VAL A 31 5.946 6.621 1.051 1.00 0.00 H new ATOM 0 HB VAL A 31 4.923 9.384 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.157 8.588 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.722 8.630 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.887 7.079 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.072 8.157 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.716 6.631 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.119 7.888 0.968 1.00 0.00 H new ATOM 450 N SER A 32 8.246 7.544 0.929 1.00 0.00 N ATOM 451 CA SER A 32 9.619 8.033 0.922 1.00 0.00 C ATOM 452 C SER A 32 10.124 8.214 -0.507 1.00 0.00 C ATOM 453 O SER A 32 10.826 9.178 -0.811 1.00 0.00 O ATOM 454 CB SER A 32 10.531 7.065 1.678 1.00 0.00 C ATOM 455 OG SER A 32 10.056 5.734 1.579 1.00 0.00 O ATOM 0 H SER A 32 8.146 6.565 0.662 1.00 0.00 H new ATOM 0 HA SER A 32 9.636 9.002 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.542 7.124 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.587 7.357 2.727 1.00 0.00 H new ATOM 0 HG SER A 32 10.786 5.111 1.776 1.00 0.00 H new ATOM 461 N SER A 33 9.761 7.279 -1.379 1.00 0.00 N ATOM 462 CA SER A 33 10.180 7.332 -2.775 1.00 0.00 C ATOM 463 C SER A 33 9.162 6.635 -3.674 1.00 0.00 C ATOM 464 O SER A 33 8.233 5.987 -3.191 1.00 0.00 O ATOM 465 CB SER A 33 11.554 6.682 -2.942 1.00 0.00 C ATOM 466 OG SER A 33 12.593 7.621 -2.722 1.00 0.00 O ATOM 0 H SER A 33 9.178 6.476 -1.144 1.00 0.00 H new ATOM 0 HA SER A 33 10.243 8.379 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.655 5.853 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.643 6.265 -3.945 1.00 0.00 H new ATOM 0 HG SER A 33 12.287 8.306 -2.092 1.00 0.00 H new ATOM 472 N ILE A 34 9.346 6.775 -4.982 1.00 0.00 N ATOM 473 CA ILE A 34 8.445 6.159 -5.949 1.00 0.00 C ATOM 474 C ILE A 34 9.224 5.447 -7.050 1.00 0.00 C ATOM 475 O ILE A 34 10.150 6.011 -7.633 1.00 0.00 O ATOM 476 CB ILE A 34 7.509 7.200 -6.590 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.421 7.619 -5.598 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.888 6.643 -7.862 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.808 8.804 -4.742 1.00 0.00 C ATOM 0 H ILE A 34 10.110 7.309 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 34 7.845 5.432 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 34 8.095 8.081 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.512 7.860 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.186 6.774 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.229 7.391 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.676 6.390 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.313 5.748 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.990 9.045 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.699 8.560 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.014 9.663 -5.381 1.00 0.00 H new ATOM 491 N ILE A 35 8.842 4.205 -7.329 1.00 0.00 N ATOM 492 CA ILE A 35 9.503 3.417 -8.362 1.00 0.00 C ATOM 493 C ILE A 35 8.888 3.680 -9.732 1.00 0.00 C ATOM 494 O ILE A 35 7.740 4.111 -9.835 1.00 0.00 O ATOM 495 CB ILE A 35 9.424 1.909 -8.057 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.047 1.610 -6.692 1.00 0.00 C ATOM 497 CG2 ILE A 35 10.119 1.111 -9.149 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.972 0.151 -6.300 1.00 0.00 C ATOM 0 H ILE A 35 8.079 3.723 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 35 10.549 3.723 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 35 8.375 1.613 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.091 1.922 -6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.543 2.208 -5.933 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.055 0.047 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.635 1.305 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.166 1.407 -9.206 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.433 0.013 -5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.929 -0.161 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.501 -0.452 -7.038 1.00 0.00 H new ATOM 510 N GLU A 36 9.659 3.416 -10.782 1.00 0.00 N ATOM 511 CA GLU A 36 9.189 3.624 -12.146 1.00 0.00 C ATOM 512 C GLU A 36 7.693 3.338 -12.255 1.00 0.00 C ATOM 513 O GLU A 36 6.964 4.054 -12.940 1.00 0.00 O ATOM 514 CB GLU A 36 9.962 2.730 -13.118 1.00 0.00 C ATOM 515 CG GLU A 36 11.436 3.082 -13.227 1.00 0.00 C ATOM 516 CD GLU A 36 11.710 4.123 -14.294 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.106 5.215 -14.226 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.526 3.847 -15.198 1.00 0.00 O ATOM 0 H GLU A 36 10.612 3.058 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 36 9.363 4.668 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.868 1.692 -12.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.506 2.802 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.789 3.452 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.006 2.180 -13.450 1.00 0.00 H new ATOM 525 N GLN A 37 7.247 2.287 -11.576 1.00 0.00 N ATOM 526 CA GLN A 37 5.840 1.906 -11.597 1.00 0.00 C ATOM 527 C GLN A 37 5.303 1.724 -10.181 1.00 0.00 C ATOM 528 O GLN A 37 4.159 2.077 -9.889 1.00 0.00 O ATOM 529 CB GLN A 37 5.651 0.615 -12.396 1.00 0.00 C ATOM 530 CG GLN A 37 6.855 -0.313 -12.346 1.00 0.00 C ATOM 531 CD GLN A 37 7.886 0.011 -13.409 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.585 0.679 -14.399 1.00 0.00 O ATOM 533 NE2 GLN A 37 9.110 -0.462 -13.210 1.00 0.00 N ATOM 0 H GLN A 37 7.839 1.684 -11.005 1.00 0.00 H new ATOM 0 HA GLN A 37 5.280 2.708 -12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.778 0.085 -12.014 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.441 0.868 -13.435 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.320 -0.246 -11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.521 -1.343 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.315 -1.011 -12.375 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.846 -0.276 -13.892 1.00 0.00 H new ATOM 542 N LEU A 38 6.135 1.172 -9.305 1.00 0.00 N ATOM 543 CA LEU A 38 5.744 0.944 -7.918 1.00 0.00 C ATOM 544 C LEU A 38 6.014 2.179 -7.065 1.00 0.00 C ATOM 545 O LEU A 38 6.578 3.164 -7.542 1.00 0.00 O ATOM 546 CB LEU A 38 6.497 -0.259 -7.347 1.00 0.00 C ATOM 547 CG LEU A 38 6.517 -1.515 -8.219 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.258 -1.594 -9.069 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.758 -1.533 -9.099 1.00 0.00 C ATOM 0 H LEU A 38 7.084 0.874 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 38 4.674 0.739 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.527 0.041 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.054 -0.516 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 38 6.546 -2.387 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.289 -2.494 -9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.383 -1.628 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.198 -0.717 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.756 -2.434 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.759 -0.654 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.649 -1.524 -8.471 1.00 0.00 H new ATOM 561 N VAL A 39 5.610 2.119 -5.800 1.00 0.00 N ATOM 562 CA VAL A 39 5.812 3.231 -4.879 1.00 0.00 C ATOM 563 C VAL A 39 6.515 2.771 -3.608 1.00 0.00 C ATOM 564 O VAL A 39 6.148 1.756 -3.015 1.00 0.00 O ATOM 565 CB VAL A 39 4.475 3.896 -4.501 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.679 4.909 -3.385 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.844 4.553 -5.720 1.00 0.00 C ATOM 0 H VAL A 39 5.141 1.312 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 39 6.439 3.959 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 39 3.795 3.125 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.724 5.368 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.084 4.406 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.376 5.679 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.900 5.018 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.519 5.313 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.660 3.799 -6.486 1.00 0.00 H new ATOM 577 N ILE A 40 7.529 3.524 -3.193 1.00 0.00 N ATOM 578 CA ILE A 40 8.283 3.194 -1.990 1.00 0.00 C ATOM 579 C ILE A 40 7.706 3.902 -0.768 1.00 0.00 C ATOM 580 O ILE A 40 7.543 5.123 -0.765 1.00 0.00 O ATOM 581 CB ILE A 40 9.768 3.574 -2.135 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.358 2.938 -3.396 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.548 3.141 -0.903 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.388 1.426 -3.353 1.00 0.00 C ATOM 0 H ILE A 40 7.847 4.366 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 40 8.204 2.115 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 40 9.844 4.657 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.776 3.257 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.373 3.310 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.596 3.416 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.140 3.635 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.468 2.061 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.818 1.044 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.994 1.098 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.373 1.045 -3.241 1.00 0.00 H new ATOM 596 N ILE A 41 7.401 3.128 0.268 1.00 0.00 N ATOM 597 CA ILE A 41 6.846 3.682 1.497 1.00 0.00 C ATOM 598 C ILE A 41 7.713 3.326 2.700 1.00 0.00 C ATOM 599 O ILE A 41 7.975 2.153 2.963 1.00 0.00 O ATOM 600 CB ILE A 41 5.412 3.177 1.744 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.509 3.543 0.564 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.863 3.756 3.039 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.356 2.584 0.366 1.00 0.00 C ATOM 0 H ILE A 41 7.529 2.116 0.281 1.00 0.00 H new ATOM 0 HA ILE A 41 6.825 4.765 1.375 1.00 0.00 H new ATOM 0 HB ILE A 41 5.435 2.091 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.114 4.547 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.108 3.572 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.849 3.390 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.496 3.449 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.850 4.844 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.758 2.905 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.744 1.582 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.734 2.573 1.261 1.00 0.00 H new ATOM 615 N GLU A 42 8.152 4.348 3.428 1.00 0.00 N ATOM 616 CA GLU A 42 8.988 4.143 4.605 1.00 0.00 C ATOM 617 C GLU A 42 8.133 3.960 5.855 1.00 0.00 C ATOM 618 O GLU A 42 7.023 4.485 5.943 1.00 0.00 O ATOM 619 CB GLU A 42 9.941 5.325 4.794 1.00 0.00 C ATOM 620 CG GLU A 42 9.352 6.456 5.620 1.00 0.00 C ATOM 621 CD GLU A 42 9.953 7.805 5.276 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.166 7.991 5.506 1.00 0.00 O ATOM 623 OE2 GLU A 42 9.209 8.675 4.776 1.00 0.00 O ATOM 0 H GLU A 42 7.943 5.325 3.224 1.00 0.00 H new ATOM 0 HA GLU A 42 9.572 3.236 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.853 4.972 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.226 5.711 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.274 6.492 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.513 6.250 6.678 1.00 0.00 H new ATOM 630 N SER A 43 8.658 3.213 6.821 1.00 0.00 N ATOM 631 CA SER A 43 7.941 2.957 8.065 1.00 0.00 C ATOM 632 C SER A 43 8.364 3.944 9.148 1.00 0.00 C ATOM 633 O SER A 43 9.235 4.786 8.930 1.00 0.00 O ATOM 634 CB SER A 43 8.194 1.524 8.538 1.00 0.00 C ATOM 635 OG SER A 43 9.578 1.222 8.533 1.00 0.00 O ATOM 0 H SER A 43 9.577 2.774 6.766 1.00 0.00 H new ATOM 0 HA SER A 43 6.876 3.087 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.794 1.394 9.543 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.664 0.825 7.891 1.00 0.00 H new ATOM 0 HG SER A 43 9.848 0.942 7.634 1.00 0.00 H new ATOM 641 N MET A 44 7.740 3.834 10.316 1.00 0.00 N ATOM 642 CA MET A 44 8.052 4.716 11.435 1.00 0.00 C ATOM 643 C MET A 44 8.501 3.913 12.651 1.00 0.00 C ATOM 644 O MET A 44 9.683 3.900 12.998 1.00 0.00 O ATOM 645 CB MET A 44 6.834 5.570 11.794 1.00 0.00 C ATOM 646 CG MET A 44 6.218 6.282 10.601 1.00 0.00 C ATOM 647 SD MET A 44 6.955 7.900 10.302 1.00 0.00 S ATOM 648 CE MET A 44 6.114 8.382 8.796 1.00 0.00 C ATOM 0 H MET A 44 7.016 3.143 10.512 1.00 0.00 H new ATOM 0 HA MET A 44 8.869 5.371 11.132 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.079 4.935 12.257 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.127 6.311 12.538 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.337 5.663 9.712 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.147 6.400 10.766 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.464 9.366 8.483 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.326 7.655 8.012 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.039 8.419 8.975 1.00 0.00 H new ATOM 658 N THR A 45 7.551 3.244 13.298 1.00 0.00 N ATOM 659 CA THR A 45 7.849 2.440 14.476 1.00 0.00 C ATOM 660 C THR A 45 6.608 1.703 14.966 1.00 0.00 C ATOM 661 O THR A 45 5.485 2.044 14.597 1.00 0.00 O ATOM 662 CB THR A 45 8.403 3.307 15.622 1.00 0.00 C ATOM 663 OG1 THR A 45 8.632 2.499 16.782 1.00 0.00 O ATOM 664 CG2 THR A 45 7.438 4.432 15.965 1.00 0.00 C ATOM 0 H THR A 45 6.568 3.244 13.025 1.00 0.00 H new ATOM 0 HA THR A 45 8.607 1.714 14.180 1.00 0.00 H new ATOM 0 HB THR A 45 9.345 3.745 15.293 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.986 3.058 17.505 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.851 5.031 16.777 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.288 5.063 15.089 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.482 4.010 16.275 1.00 0.00 H new ATOM 672 N ASN A 46 6.819 0.690 15.801 1.00 0.00 N ATOM 673 CA ASN A 46 5.716 -0.096 16.343 1.00 0.00 C ATOM 674 C ASN A 46 4.896 -0.727 15.221 1.00 0.00 C ATOM 675 O ASN A 46 3.694 -0.953 15.368 1.00 0.00 O ATOM 676 CB ASN A 46 4.817 0.782 17.216 1.00 0.00 C ATOM 677 CG ASN A 46 4.181 0.006 18.353 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.479 0.243 19.524 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.300 -0.927 18.013 1.00 0.00 N ATOM 0 H ASN A 46 7.743 0.394 16.117 1.00 0.00 H new ATOM 0 HA ASN A 46 6.137 -0.894 16.955 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.403 1.605 17.625 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.035 1.224 16.599 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.840 -1.481 18.735 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.083 -1.090 17.030 1.00 0.00 H new ATOM 686 N LEU A 47 5.553 -1.009 14.102 1.00 0.00 N ATOM 687 CA LEU A 47 4.885 -1.614 12.955 1.00 0.00 C ATOM 688 C LEU A 47 4.696 -3.113 13.164 1.00 0.00 C ATOM 689 O LEU A 47 5.633 -3.842 13.493 1.00 0.00 O ATOM 690 CB LEU A 47 5.692 -1.364 11.680 1.00 0.00 C ATOM 691 CG LEU A 47 5.348 -0.090 10.907 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.023 1.117 11.540 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.753 -0.225 9.447 1.00 0.00 C ATOM 0 H LEU A 47 6.547 -0.829 13.964 1.00 0.00 H new ATOM 0 HA LEU A 47 3.903 -1.153 12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.749 -1.331 11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.556 -2.217 11.015 1.00 0.00 H new ATOM 0 HG LEU A 47 4.269 0.058 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.767 2.014 10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.683 1.226 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.104 0.977 11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.500 0.691 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.827 -0.398 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.222 -1.065 8.998 1.00 0.00 H new ATOM 705 N PRO A 48 3.457 -3.587 12.967 1.00 0.00 N ATOM 706 CA PRO A 48 3.116 -5.004 13.126 1.00 0.00 C ATOM 707 C PRO A 48 3.728 -5.873 12.032 1.00 0.00 C ATOM 708 O PRO A 48 4.055 -5.403 10.942 1.00 0.00 O ATOM 709 CB PRO A 48 1.589 -5.015 13.026 1.00 0.00 C ATOM 710 CG PRO A 48 1.253 -3.804 12.225 1.00 0.00 C ATOM 711 CD PRO A 48 2.293 -2.776 12.574 1.00 0.00 C ATOM 0 HA PRO A 48 3.498 -5.413 14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.231 -5.923 12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.127 -4.978 14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.266 -4.026 11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.252 -3.444 12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.521 -2.131 11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.962 -2.129 13.386 1.00 0.00 H new ATOM 719 N PRO A 49 3.886 -7.172 12.326 1.00 0.00 N ATOM 720 CA PRO A 49 4.458 -8.134 11.380 1.00 0.00 C ATOM 721 C PRO A 49 3.529 -8.413 10.204 1.00 0.00 C ATOM 722 O PRO A 49 2.823 -9.422 10.183 1.00 0.00 O ATOM 723 CB PRO A 49 4.644 -9.396 12.226 1.00 0.00 C ATOM 724 CG PRO A 49 3.637 -9.272 13.317 1.00 0.00 C ATOM 725 CD PRO A 49 3.518 -7.802 13.606 1.00 0.00 C ATOM 0 HA PRO A 49 5.381 -7.765 10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.479 -10.297 11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.656 -9.459 12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.677 -9.688 13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.954 -9.820 14.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.507 -7.533 13.910 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.185 -7.495 14.411 1.00 0.00 H new ATOM 733 N VAL A 50 3.533 -7.513 9.226 1.00 0.00 N ATOM 734 CA VAL A 50 2.692 -7.664 8.045 1.00 0.00 C ATOM 735 C VAL A 50 3.492 -8.202 6.864 1.00 0.00 C ATOM 736 O VAL A 50 4.627 -7.788 6.631 1.00 0.00 O ATOM 737 CB VAL A 50 2.043 -6.326 7.644 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.746 -6.111 8.409 1.00 0.00 C ATOM 739 CG2 VAL A 50 3.008 -5.174 7.880 1.00 0.00 C ATOM 0 H VAL A 50 4.109 -6.672 9.228 1.00 0.00 H new ATOM 0 HA VAL A 50 1.909 -8.377 8.304 1.00 0.00 H new ATOM 0 HB VAL A 50 1.808 -6.361 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.302 -5.161 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.053 -6.921 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.953 -6.097 9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.533 -4.236 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.276 -5.135 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.907 -5.324 7.282 1.00 0.00 H new ATOM 749 N ASN A 51 2.892 -9.126 6.121 1.00 0.00 N ATOM 750 CA ASN A 51 3.549 -9.721 4.963 1.00 0.00 C ATOM 751 C ASN A 51 3.101 -9.040 3.673 1.00 0.00 C ATOM 752 O ASN A 51 2.295 -8.110 3.699 1.00 0.00 O ATOM 753 CB ASN A 51 3.248 -11.219 4.893 1.00 0.00 C ATOM 754 CG ASN A 51 3.474 -11.917 6.221 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.613 -12.108 6.648 1.00 0.00 O ATOM 756 ND2 ASN A 51 2.388 -12.301 6.880 1.00 0.00 N ATOM 0 H ASN A 51 1.952 -9.479 6.300 1.00 0.00 H new ATOM 0 HA ASN A 51 4.624 -9.578 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.214 -11.365 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.879 -11.678 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.478 -12.775 7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.464 -12.122 6.488 1.00 0.00 H new ATOM 763 N GLU A 52 3.629 -9.511 2.548 1.00 0.00 N ATOM 764 CA GLU A 52 3.282 -8.947 1.248 1.00 0.00 C ATOM 765 C GLU A 52 1.773 -8.973 1.028 1.00 0.00 C ATOM 766 O GLU A 52 1.154 -7.940 0.780 1.00 0.00 O ATOM 767 CB GLU A 52 3.985 -9.718 0.129 1.00 0.00 C ATOM 768 CG GLU A 52 5.488 -9.832 0.319 1.00 0.00 C ATOM 769 CD GLU A 52 6.062 -11.091 -0.302 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.361 -11.720 -1.122 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.211 -11.446 0.032 1.00 0.00 O ATOM 0 H GLU A 52 4.298 -10.280 2.510 1.00 0.00 H new ATOM 0 HA GLU A 52 3.616 -7.910 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.558 -10.719 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.784 -9.225 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.973 -8.961 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.717 -9.820 1.385 1.00 0.00 H new ATOM 778 N GLU A 53 1.188 -10.164 1.122 1.00 0.00 N ATOM 779 CA GLU A 53 -0.249 -10.325 0.932 1.00 0.00 C ATOM 780 C GLU A 53 -1.019 -9.210 1.633 1.00 0.00 C ATOM 781 O GLU A 53 -2.152 -8.896 1.267 1.00 0.00 O ATOM 782 CB GLU A 53 -0.706 -11.686 1.460 1.00 0.00 C ATOM 783 CG GLU A 53 -2.041 -12.142 0.894 1.00 0.00 C ATOM 784 CD GLU A 53 -3.222 -11.513 1.608 1.00 0.00 C ATOM 785 OE1 GLU A 53 -3.024 -10.964 2.712 1.00 0.00 O ATOM 786 OE2 GLU A 53 -4.344 -11.571 1.064 1.00 0.00 O ATOM 0 H GLU A 53 1.686 -11.030 1.328 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.457 -10.270 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.053 -12.432 1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.779 -11.639 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.087 -11.892 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.112 -13.227 0.969 1.00 0.00 H new ATOM 793 N THR A 54 -0.396 -8.614 2.645 1.00 0.00 N ATOM 794 CA THR A 54 -1.022 -7.536 3.400 1.00 0.00 C ATOM 795 C THR A 54 -1.372 -6.362 2.494 1.00 0.00 C ATOM 796 O THR A 54 -0.554 -5.924 1.684 1.00 0.00 O ATOM 797 CB THR A 54 -0.106 -7.039 4.535 1.00 0.00 C ATOM 798 OG1 THR A 54 0.339 -8.147 5.325 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.835 -6.039 5.420 1.00 0.00 C ATOM 0 H THR A 54 0.542 -8.860 2.961 1.00 0.00 H new ATOM 0 HA THR A 54 -1.936 -7.943 3.833 1.00 0.00 H new ATOM 0 HB THR A 54 0.755 -6.543 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.991 -8.671 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.168 -5.702 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.147 -5.183 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.712 -6.514 5.860 1.00 0.00 H new ATOM 807 N VAL A 55 -2.592 -5.853 2.635 1.00 0.00 N ATOM 808 CA VAL A 55 -3.049 -4.727 1.830 1.00 0.00 C ATOM 809 C VAL A 55 -2.766 -3.402 2.527 1.00 0.00 C ATOM 810 O VAL A 55 -2.873 -3.296 3.750 1.00 0.00 O ATOM 811 CB VAL A 55 -4.557 -4.826 1.532 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.974 -3.761 0.529 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.910 -6.216 1.025 1.00 0.00 C ATOM 0 H VAL A 55 -3.282 -6.203 3.300 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.497 -4.765 0.891 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.105 -4.653 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.042 -3.846 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.758 -2.773 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.420 -3.899 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.979 -6.268 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.354 -6.422 0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.650 -6.956 1.782 1.00 0.00 H new ATOM 823 N ILE A 56 -2.403 -2.392 1.743 1.00 0.00 N ATOM 824 CA ILE A 56 -2.106 -1.072 2.285 1.00 0.00 C ATOM 825 C ILE A 56 -3.237 -0.092 1.997 1.00 0.00 C ATOM 826 O ILE A 56 -3.552 0.187 0.840 1.00 0.00 O ATOM 827 CB ILE A 56 -0.794 -0.509 1.708 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.358 -1.487 1.952 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.484 0.847 2.323 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.586 -1.798 3.415 1.00 0.00 C ATOM 0 H ILE A 56 -2.308 -2.463 0.730 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.998 -1.191 3.363 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.914 -0.380 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.155 -2.416 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.273 -1.071 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.446 1.232 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.295 1.541 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.380 0.742 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.417 -2.497 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.821 -0.878 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.315 -2.244 3.837 1.00 0.00 H new ATOM 842 N PHE A 57 -3.845 0.430 3.058 1.00 0.00 N ATOM 843 CA PHE A 57 -4.941 1.382 2.919 1.00 0.00 C ATOM 844 C PHE A 57 -4.421 2.816 2.919 1.00 0.00 C ATOM 845 O PHE A 57 -3.393 3.116 3.527 1.00 0.00 O ATOM 846 CB PHE A 57 -5.953 1.194 4.052 1.00 0.00 C ATOM 847 CG PHE A 57 -6.844 -0.001 3.868 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.324 -1.284 3.920 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.202 0.159 3.644 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.142 -2.385 3.750 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.025 -0.938 3.474 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.494 -2.212 3.528 1.00 0.00 C ATOM 0 H PHE A 57 -3.597 0.210 4.023 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.434 1.194 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.416 1.095 4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.570 2.089 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.268 -1.425 4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.622 1.153 3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.724 -3.380 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.082 -0.799 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.135 -3.071 3.397 1.00 0.00 H new ATOM 862 N LYS A 58 -5.137 3.699 2.232 1.00 0.00 N ATOM 863 CA LYS A 58 -4.750 5.103 2.152 1.00 0.00 C ATOM 864 C LYS A 58 -5.338 5.896 3.315 1.00 0.00 C ATOM 865 O LYS A 58 -6.063 5.352 4.147 1.00 0.00 O ATOM 866 CB LYS A 58 -5.213 5.705 0.824 1.00 0.00 C ATOM 867 CG LYS A 58 -4.255 5.451 -0.327 1.00 0.00 C ATOM 868 CD LYS A 58 -4.988 5.364 -1.655 1.00 0.00 C ATOM 869 CE LYS A 58 -5.943 6.534 -1.841 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.772 6.383 -3.069 1.00 0.00 N ATOM 0 H LYS A 58 -5.989 3.467 1.722 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.663 5.159 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.190 5.294 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.342 6.780 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.516 6.252 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.710 4.524 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.265 5.349 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.544 4.428 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.594 6.613 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.374 7.462 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.674 7.233 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.452 5.550 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.770 6.261 -2.802 1.00 0.00 H new ATOM 884 N SER A 59 -5.021 7.186 3.365 1.00 0.00 N ATOM 885 CA SER A 59 -5.515 8.054 4.427 1.00 0.00 C ATOM 886 C SER A 59 -7.016 8.288 4.282 1.00 0.00 C ATOM 887 O SER A 59 -7.691 8.667 5.240 1.00 0.00 O ATOM 888 CB SER A 59 -4.774 9.393 4.407 1.00 0.00 C ATOM 889 OG SER A 59 -5.243 10.219 3.356 1.00 0.00 O ATOM 0 H SER A 59 -4.424 7.653 2.682 1.00 0.00 H new ATOM 0 HA SER A 59 -5.332 7.560 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.909 9.902 5.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.705 9.219 4.287 1.00 0.00 H new ATOM 0 HG SER A 59 -4.755 11.069 3.366 1.00 0.00 H new ATOM 895 N ASP A 60 -7.530 8.061 3.079 1.00 0.00 N ATOM 896 CA ASP A 60 -8.951 8.246 2.808 1.00 0.00 C ATOM 897 C ASP A 60 -9.704 6.925 2.931 1.00 0.00 C ATOM 898 O ASP A 60 -10.805 6.775 2.401 1.00 0.00 O ATOM 899 CB ASP A 60 -9.153 8.833 1.410 1.00 0.00 C ATOM 900 CG ASP A 60 -8.747 10.292 1.331 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.309 11.107 2.093 1.00 0.00 O ATOM 902 OD2 ASP A 60 -7.866 10.618 0.508 1.00 0.00 O ATOM 0 H ASP A 60 -6.984 7.749 2.276 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.349 8.941 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.571 8.257 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.201 8.734 1.125 1.00 0.00 H new ATOM 907 N ARG A 61 -9.103 5.970 3.634 1.00 0.00 N ATOM 908 CA ARG A 61 -9.716 4.662 3.825 1.00 0.00 C ATOM 909 C ARG A 61 -9.950 3.970 2.485 1.00 0.00 C ATOM 910 O ARG A 61 -10.978 3.325 2.280 1.00 0.00 O ATOM 911 CB ARG A 61 -11.041 4.800 4.577 1.00 0.00 C ATOM 912 CG ARG A 61 -10.884 4.819 6.089 1.00 0.00 C ATOM 913 CD ARG A 61 -12.228 4.953 6.787 1.00 0.00 C ATOM 914 NE ARG A 61 -12.080 5.294 8.200 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.104 5.559 9.003 1.00 0.00 C ATOM 916 NH1 ARG A 61 -14.344 5.522 8.536 1.00 0.00 N ATOM 917 NH2 ARG A 61 -12.889 5.862 10.277 1.00 0.00 N ATOM 0 H ARG A 61 -8.192 6.078 4.080 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.033 4.052 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.535 5.718 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.695 3.974 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.393 3.903 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.238 5.648 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.820 5.721 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.779 4.017 6.696 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.139 5.331 8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.514 5.289 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.128 5.726 9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.936 5.892 10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.676 6.065 10.893 1.00 0.00 H new ATOM 931 N GLN A 62 -8.989 4.109 1.578 1.00 0.00 N ATOM 932 CA GLN A 62 -9.091 3.498 0.258 1.00 0.00 C ATOM 933 C GLN A 62 -7.909 2.571 -0.006 1.00 0.00 C ATOM 934 O GLN A 62 -6.767 3.018 -0.104 1.00 0.00 O ATOM 935 CB GLN A 62 -9.158 4.578 -0.823 1.00 0.00 C ATOM 936 CG GLN A 62 -10.575 5.022 -1.153 1.00 0.00 C ATOM 937 CD GLN A 62 -10.616 6.354 -1.874 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.161 7.406 -1.202 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.052 6.439 -3.022 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.131 4.639 1.733 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.006 2.907 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.582 5.444 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.683 4.203 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.055 4.263 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.153 5.094 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.392 5.605 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.074 7.343 -3.494 1.00 0.00 H new ATOM 948 N ALA A 63 -8.192 1.277 -0.120 1.00 0.00 N ATOM 949 CA ALA A 63 -7.153 0.287 -0.374 1.00 0.00 C ATOM 950 C ALA A 63 -6.296 0.686 -1.571 1.00 0.00 C ATOM 951 O ALA A 63 -6.656 0.427 -2.718 1.00 0.00 O ATOM 952 CB ALA A 63 -7.773 -1.083 -0.600 1.00 0.00 C ATOM 0 H ALA A 63 -9.132 0.890 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.507 0.241 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.985 -1.812 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.336 -1.378 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.443 -1.042 -1.459 1.00 0.00 H new ATOM 958 N ALA A 64 -5.160 1.319 -1.295 1.00 0.00 N ATOM 959 CA ALA A 64 -4.251 1.752 -2.349 1.00 0.00 C ATOM 960 C ALA A 64 -3.734 0.563 -3.151 1.00 0.00 C ATOM 961 O ALA A 64 -3.606 0.634 -4.372 1.00 0.00 O ATOM 962 CB ALA A 64 -3.090 2.535 -1.755 1.00 0.00 C ATOM 0 H ALA A 64 -4.848 1.543 -0.350 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.804 2.401 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.419 2.852 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.472 3.412 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.546 1.903 -1.053 1.00 0.00 H new ATOM 968 N GLY A 65 -3.437 -0.531 -2.455 1.00 0.00 N ATOM 969 CA GLY A 65 -2.936 -1.720 -3.120 1.00 0.00 C ATOM 970 C GLY A 65 -2.196 -2.644 -2.174 1.00 0.00 C ATOM 971 O GLY A 65 -1.906 -2.278 -1.035 1.00 0.00 O ATOM 0 H GLY A 65 -3.534 -0.615 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.769 -2.259 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.270 -1.426 -3.931 1.00 0.00 H new ATOM 975 N LYS A 66 -1.890 -3.849 -2.645 1.00 0.00 N ATOM 976 CA LYS A 66 -1.180 -4.830 -1.834 1.00 0.00 C ATOM 977 C LYS A 66 0.330 -4.661 -1.973 1.00 0.00 C ATOM 978 O LYS A 66 0.817 -4.173 -2.994 1.00 0.00 O ATOM 979 CB LYS A 66 -1.584 -6.249 -2.242 1.00 0.00 C ATOM 980 CG LYS A 66 -2.786 -6.781 -1.482 1.00 0.00 C ATOM 981 CD LYS A 66 -3.172 -8.173 -1.953 1.00 0.00 C ATOM 982 CE LYS A 66 -4.635 -8.474 -1.663 1.00 0.00 C ATOM 983 NZ LYS A 66 -5.073 -9.752 -2.289 1.00 0.00 N ATOM 0 H LYS A 66 -2.123 -4.169 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.452 -4.667 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.805 -6.262 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.739 -6.918 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.561 -6.806 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.630 -6.104 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.987 -8.260 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.542 -8.913 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.788 -8.526 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.254 -7.657 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.075 -9.921 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.951 -9.693 -3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.499 -10.535 -1.917 1.00 0.00 H new ATOM 997 N ILE A 67 1.064 -5.068 -0.943 1.00 0.00 N ATOM 998 CA ILE A 67 2.518 -4.963 -0.953 1.00 0.00 C ATOM 999 C ILE A 67 3.122 -5.809 -2.069 1.00 0.00 C ATOM 1000 O ILE A 67 2.787 -6.983 -2.223 1.00 0.00 O ATOM 1001 CB ILE A 67 3.123 -5.401 0.393 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.965 -4.290 1.434 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.590 -5.767 0.221 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.941 -4.796 2.859 1.00 0.00 C ATOM 0 H ILE A 67 0.676 -5.473 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 67 2.758 -3.914 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 67 2.587 -6.283 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.785 -3.580 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.042 -3.745 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.003 -6.075 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.679 -6.587 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.140 -4.902 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.827 -3.954 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.105 -5.483 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.874 -5.315 3.076 1.00 0.00 H new ATOM 1016 N PHE A 68 4.017 -5.204 -2.843 1.00 0.00 N ATOM 1017 CA PHE A 68 4.670 -5.902 -3.945 1.00 0.00 C ATOM 1018 C PHE A 68 6.050 -6.404 -3.529 1.00 0.00 C ATOM 1019 O PHE A 68 6.521 -7.431 -4.018 1.00 0.00 O ATOM 1020 CB PHE A 68 4.796 -4.979 -5.159 1.00 0.00 C ATOM 1021 CG PHE A 68 5.925 -5.347 -6.078 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.840 -6.469 -6.886 1.00 0.00 C ATOM 1023 CD2 PHE A 68 7.072 -4.572 -6.133 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.879 -6.810 -7.732 1.00 0.00 C ATOM 1025 CE2 PHE A 68 8.114 -4.908 -6.977 1.00 0.00 C ATOM 1026 CZ PHE A 68 8.016 -6.028 -7.779 1.00 0.00 C ATOM 0 H PHE A 68 4.307 -4.233 -2.728 1.00 0.00 H new ATOM 0 HA PHE A 68 4.055 -6.761 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.861 -4.999 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.939 -3.955 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.953 -7.084 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.153 -3.694 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.801 -7.688 -8.356 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.003 -4.296 -7.009 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.827 -6.292 -8.442 1.00 0.00 H new ATOM 1036 N GLU A 69 6.691 -5.672 -2.623 1.00 0.00 N ATOM 1037 CA GLU A 69 8.017 -6.043 -2.142 1.00 0.00 C ATOM 1038 C GLU A 69 8.355 -5.301 -0.852 1.00 0.00 C ATOM 1039 O GLU A 69 7.893 -4.182 -0.628 1.00 0.00 O ATOM 1040 CB GLU A 69 9.073 -5.741 -3.208 1.00 0.00 C ATOM 1041 CG GLU A 69 10.501 -5.896 -2.712 1.00 0.00 C ATOM 1042 CD GLU A 69 11.481 -6.177 -3.834 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.262 -5.671 -4.954 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.468 -6.902 -3.591 1.00 0.00 O ATOM 0 H GLU A 69 6.314 -4.820 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 69 8.014 -7.113 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.919 -6.405 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.931 -4.722 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.802 -4.987 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.543 -6.708 -1.986 1.00 0.00 H new ATOM 1051 N ILE A 70 9.163 -5.934 -0.008 1.00 0.00 N ATOM 1052 CA ILE A 70 9.562 -5.335 1.260 1.00 0.00 C ATOM 1053 C ILE A 70 11.074 -5.404 1.448 1.00 0.00 C ATOM 1054 O ILE A 70 11.672 -6.477 1.365 1.00 0.00 O ATOM 1055 CB ILE A 70 8.875 -6.027 2.451 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.356 -6.002 2.277 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.275 -5.356 3.757 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.622 -6.908 3.241 1.00 0.00 C ATOM 0 H ILE A 70 9.554 -6.861 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 70 9.249 -4.291 1.228 1.00 0.00 H new ATOM 0 HB ILE A 70 9.201 -7.067 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.000 -4.980 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.110 -6.296 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.781 -5.857 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.356 -5.422 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.975 -4.308 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.549 -6.839 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.950 -7.937 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.837 -6.601 4.264 1.00 0.00 H new ATOM 1070 N PHE A 71 11.686 -4.253 1.704 1.00 0.00 N ATOM 1071 CA PHE A 71 13.129 -4.183 1.906 1.00 0.00 C ATOM 1072 C PHE A 71 13.470 -3.279 3.087 1.00 0.00 C ATOM 1073 O PHE A 71 12.596 -2.626 3.655 1.00 0.00 O ATOM 1074 CB PHE A 71 13.818 -3.669 0.640 1.00 0.00 C ATOM 1075 CG PHE A 71 13.357 -2.302 0.220 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.947 -1.165 0.748 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.335 -2.155 -0.703 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.526 0.094 0.364 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.910 -0.898 -1.092 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.505 0.227 -0.557 1.00 0.00 C ATOM 0 H PHE A 71 11.206 -3.356 1.777 1.00 0.00 H new ATOM 0 HA PHE A 71 13.489 -5.188 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.895 -3.645 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.636 -4.371 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.746 -1.264 1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.865 -3.032 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.994 0.972 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.113 -0.796 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.173 1.210 -0.858 1.00 0.00 H new ATOM 1090 N GLY A 72 14.748 -3.247 3.450 1.00 0.00 N ATOM 1091 CA GLY A 72 15.183 -2.421 4.562 1.00 0.00 C ATOM 1092 C GLY A 72 15.425 -3.226 5.823 1.00 0.00 C ATOM 1093 O GLY A 72 15.475 -4.456 5.799 1.00 0.00 O ATOM 0 H GLY A 72 15.490 -3.778 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.100 -1.899 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.430 -1.659 4.760 1.00 0.00 H new ATOM 1097 N PRO A 73 15.583 -2.526 6.956 1.00 0.00 N ATOM 1098 CA PRO A 73 15.825 -3.163 8.253 1.00 0.00 C ATOM 1099 C PRO A 73 14.600 -3.910 8.770 1.00 0.00 C ATOM 1100 O PRO A 73 13.671 -4.196 8.015 1.00 0.00 O ATOM 1101 CB PRO A 73 16.159 -1.984 9.171 1.00 0.00 C ATOM 1102 CG PRO A 73 15.490 -0.812 8.540 1.00 0.00 C ATOM 1103 CD PRO A 73 15.536 -1.057 7.057 1.00 0.00 C ATOM 0 HA PRO A 73 16.613 -3.914 8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.790 -2.153 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.236 -1.833 9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.461 -0.716 8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.002 0.115 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.660 -0.647 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.411 -0.594 6.600 1.00 0.00 H new ATOM 1111 N VAL A 74 14.605 -4.223 10.062 1.00 0.00 N ATOM 1112 CA VAL A 74 13.493 -4.936 10.680 1.00 0.00 C ATOM 1113 C VAL A 74 12.679 -4.011 11.578 1.00 0.00 C ATOM 1114 O VAL A 74 11.620 -4.389 12.077 1.00 0.00 O ATOM 1115 CB VAL A 74 13.987 -6.135 11.510 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.763 -5.659 12.728 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.817 -7.015 11.923 1.00 0.00 C ATOM 0 H VAL A 74 15.366 -3.994 10.701 1.00 0.00 H new ATOM 0 HA VAL A 74 12.861 -5.300 9.870 1.00 0.00 H new ATOM 0 HB VAL A 74 14.659 -6.730 10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.104 -6.521 13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.624 -5.074 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.118 -5.040 13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.184 -7.858 12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.118 -6.433 12.524 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.309 -7.386 11.033 1.00 0.00 H new ATOM 1127 N ALA A 75 13.182 -2.797 11.779 1.00 0.00 N ATOM 1128 CA ALA A 75 12.500 -1.817 12.615 1.00 0.00 C ATOM 1129 C ALA A 75 11.948 -0.669 11.776 1.00 0.00 C ATOM 1130 O ALA A 75 10.906 -0.098 12.097 1.00 0.00 O ATOM 1131 CB ALA A 75 13.445 -1.286 13.682 1.00 0.00 C ATOM 0 H ALA A 75 14.059 -2.469 11.374 1.00 0.00 H new ATOM 0 HA ALA A 75 11.660 -2.313 13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.923 -0.555 14.299 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.788 -2.110 14.307 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.303 -0.812 13.205 1.00 0.00 H new ATOM 1137 N HIS A 76 12.653 -0.336 10.700 1.00 0.00 N ATOM 1138 CA HIS A 76 12.233 0.744 9.814 1.00 0.00 C ATOM 1139 C HIS A 76 12.249 0.290 8.358 1.00 0.00 C ATOM 1140 O HIS A 76 12.794 0.959 7.480 1.00 0.00 O ATOM 1141 CB HIS A 76 13.142 1.960 9.992 1.00 0.00 C ATOM 1142 CG HIS A 76 13.479 2.253 11.421 1.00 0.00 C ATOM 1143 ND1 HIS A 76 12.592 2.843 12.298 1.00 0.00 N ATOM 1144 CD2 HIS A 76 14.612 2.032 12.127 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.167 2.974 13.480 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.393 2.489 13.404 1.00 0.00 N ATOM 0 H HIS A 76 13.518 -0.798 10.420 1.00 0.00 H new ATOM 0 HA HIS A 76 11.212 1.021 10.078 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.065 1.797 9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.657 2.833 9.556 1.00 0.00 H new ATOM 0 HD1 HIS A 76 11.641 3.133 12.069 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.520 1.580 11.756 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.712 3.405 14.360 1.00 0.00 H new ATOM 1154 N PRO A 77 11.638 -0.874 8.093 1.00 0.00 N ATOM 1155 CA PRO A 77 11.569 -1.444 6.744 1.00 0.00 C ATOM 1156 C PRO A 77 10.655 -0.642 5.823 1.00 0.00 C ATOM 1157 O PRO A 77 9.704 -0.005 6.277 1.00 0.00 O ATOM 1158 CB PRO A 77 10.997 -2.844 6.979 1.00 0.00 C ATOM 1159 CG PRO A 77 10.231 -2.732 8.252 1.00 0.00 C ATOM 1160 CD PRO A 77 10.967 -1.725 9.091 1.00 0.00 C ATOM 0 HA PRO A 77 12.541 -1.444 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.353 -3.152 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.790 -3.587 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.207 -2.409 8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.174 -3.695 8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.286 -1.149 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.684 -2.204 9.757 1.00 0.00 H new ATOM 1168 N PHE A 78 10.948 -0.679 4.528 1.00 0.00 N ATOM 1169 CA PHE A 78 10.153 0.044 3.543 1.00 0.00 C ATOM 1170 C PHE A 78 9.337 -0.921 2.688 1.00 0.00 C ATOM 1171 O PHE A 78 9.851 -1.936 2.217 1.00 0.00 O ATOM 1172 CB PHE A 78 11.058 0.895 2.650 1.00 0.00 C ATOM 1173 CG PHE A 78 12.187 1.551 3.392 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.267 0.806 3.838 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.167 2.914 3.645 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.307 1.408 4.521 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.205 3.520 4.327 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.275 2.766 4.767 1.00 0.00 C ATOM 0 H PHE A 78 11.731 -1.202 4.136 1.00 0.00 H new ATOM 0 HA PHE A 78 9.465 0.698 4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.470 0.267 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.457 1.664 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.296 -0.257 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.332 3.508 3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.144 0.817 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.179 4.583 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.085 3.238 5.303 1.00 0.00 H new ATOM 1188 N TYR A 79 8.064 -0.597 2.492 1.00 0.00 N ATOM 1189 CA TYR A 79 7.176 -1.436 1.696 1.00 0.00 C ATOM 1190 C TYR A 79 6.939 -0.825 0.318 1.00 0.00 C ATOM 1191 O TYR A 79 6.937 0.395 0.159 1.00 0.00 O ATOM 1192 CB TYR A 79 5.841 -1.629 2.417 1.00 0.00 C ATOM 1193 CG TYR A 79 5.988 -2.056 3.860 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.399 -1.154 4.834 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.715 -3.361 4.250 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.535 -1.540 6.153 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.848 -3.756 5.567 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.258 -2.842 6.515 1.00 0.00 C ATOM 1199 OH TYR A 79 6.392 -3.230 7.828 1.00 0.00 O ATOM 0 H TYR A 79 7.624 0.240 2.873 1.00 0.00 H new ATOM 0 HA TYR A 79 7.655 -2.406 1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.279 -0.696 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.254 -2.377 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.616 -0.134 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.393 -4.079 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.857 -0.826 6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.632 -4.775 5.853 1.00 0.00 H new ATOM 0 HH TYR A 79 6.157 -4.178 7.915 1.00 0.00 H new ATOM 1209 N VAL A 80 6.738 -1.684 -0.676 1.00 0.00 N ATOM 1210 CA VAL A 80 6.498 -1.232 -2.041 1.00 0.00 C ATOM 1211 C VAL A 80 5.067 -1.530 -2.476 1.00 0.00 C ATOM 1212 O VAL A 80 4.506 -2.570 -2.130 1.00 0.00 O ATOM 1213 CB VAL A 80 7.473 -1.895 -3.032 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.258 -1.353 -4.437 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.911 -1.685 -2.585 1.00 0.00 C ATOM 0 H VAL A 80 6.737 -2.698 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 80 6.660 -0.154 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 80 7.274 -2.967 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.956 -1.833 -5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.236 -1.561 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.428 -0.276 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.586 -2.160 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.125 -0.617 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.054 -2.127 -1.599 1.00 0.00 H new ATOM 1225 N LEU A 81 4.482 -0.611 -3.236 1.00 0.00 N ATOM 1226 CA LEU A 81 3.116 -0.774 -3.719 1.00 0.00 C ATOM 1227 C LEU A 81 3.100 -1.094 -5.210 1.00 0.00 C ATOM 1228 O LEU A 81 3.879 -0.536 -5.983 1.00 0.00 O ATOM 1229 CB LEU A 81 2.303 0.493 -3.449 1.00 0.00 C ATOM 1230 CG LEU A 81 1.604 0.566 -2.090 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.598 1.706 -2.068 1.00 0.00 C ATOM 1232 CD2 LEU A 81 0.923 -0.756 -1.770 1.00 0.00 C ATOM 0 H LEU A 81 4.933 0.255 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 81 2.665 -1.608 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.967 1.353 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.548 0.589 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 81 2.356 0.759 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.111 1.742 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.113 2.649 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.152 1.545 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.431 -0.686 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.182 -0.979 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.668 -1.552 -1.743 1.00 0.00 H new ATOM 1244 N ARG A 82 2.207 -1.994 -5.608 1.00 0.00 N ATOM 1245 CA ARG A 82 2.089 -2.387 -7.007 1.00 0.00 C ATOM 1246 C ARG A 82 1.210 -1.404 -7.776 1.00 0.00 C ATOM 1247 O ARG A 82 0.222 -0.895 -7.247 1.00 0.00 O ATOM 1248 CB ARG A 82 1.509 -3.799 -7.115 1.00 0.00 C ATOM 1249 CG ARG A 82 1.372 -4.293 -8.546 1.00 0.00 C ATOM 1250 CD ARG A 82 1.447 -5.809 -8.621 1.00 0.00 C ATOM 1251 NE ARG A 82 0.130 -6.429 -8.509 1.00 0.00 N ATOM 1252 CZ ARG A 82 -0.456 -6.705 -7.349 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.155 -6.416 -6.209 1.00 0.00 N ATOM 1254 NH2 ARG A 82 -1.657 -7.269 -7.328 1.00 0.00 N ATOM 0 H ARG A 82 1.554 -2.465 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 82 3.086 -2.377 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.147 -4.488 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.529 -3.818 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.422 -3.954 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.161 -3.858 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.907 -6.103 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.091 -6.180 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.367 -6.663 -9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.077 -5.981 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.297 -6.629 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.131 -7.491 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.106 -7.480 -6.437 1.00 0.00 H new ATOM 1268 N PHE A 83 1.578 -1.143 -9.026 1.00 0.00 N ATOM 1269 CA PHE A 83 0.825 -0.220 -9.867 1.00 0.00 C ATOM 1270 C PHE A 83 1.230 -0.364 -11.331 1.00 0.00 C ATOM 1271 O PHE A 83 2.404 -0.237 -11.676 1.00 0.00 O ATOM 1272 CB PHE A 83 1.046 1.222 -9.404 1.00 0.00 C ATOM 1273 CG PHE A 83 0.340 1.554 -8.121 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.044 1.553 -8.055 1.00 0.00 C ATOM 1275 CD2 PHE A 83 1.061 1.869 -6.980 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.696 1.858 -6.875 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.414 2.174 -5.797 1.00 0.00 C ATOM 1278 CZ PHE A 83 -0.966 2.170 -5.745 1.00 0.00 C ATOM 0 H PHE A 83 2.393 -1.557 -9.479 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.233 -0.465 -9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.115 1.395 -9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.704 1.902 -10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.620 1.311 -8.936 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.140 1.876 -7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.775 1.852 -6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.987 2.415 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.473 2.410 -4.822 1.00 0.00 H new ATOM 1288 N ASN A 84 0.249 -0.632 -12.187 1.00 0.00 N ATOM 1289 CA ASN A 84 0.502 -0.795 -13.613 1.00 0.00 C ATOM 1290 C ASN A 84 1.438 0.295 -14.128 1.00 0.00 C ATOM 1291 O ASN A 84 2.483 0.006 -14.712 1.00 0.00 O ATOM 1292 CB ASN A 84 -0.813 -0.763 -14.394 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.440 -2.137 -14.527 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -0.853 -3.045 -15.116 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -2.640 -2.296 -13.979 1.00 0.00 N ATOM 0 H ASN A 84 -0.729 -0.741 -11.917 1.00 0.00 H new ATOM 0 HA ASN A 84 0.982 -1.762 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.513 -0.094 -13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.633 -0.351 -15.387 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.112 -3.199 -14.037 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.089 -1.516 -13.500 1.00 0.00 H new ATOM 1302 N SER A 85 1.056 1.548 -13.905 1.00 0.00 N ATOM 1303 CA SER A 85 1.859 2.682 -14.349 1.00 0.00 C ATOM 1304 C SER A 85 1.696 3.867 -13.401 1.00 0.00 C ATOM 1305 O SER A 85 0.993 3.779 -12.395 1.00 0.00 O ATOM 1306 CB SER A 85 1.462 3.091 -15.768 1.00 0.00 C ATOM 1307 OG SER A 85 2.136 2.303 -16.734 1.00 0.00 O ATOM 0 H SER A 85 0.196 1.804 -13.420 1.00 0.00 H new ATOM 0 HA SER A 85 2.906 2.378 -14.346 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.385 2.982 -15.893 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.696 4.144 -15.925 1.00 0.00 H new ATOM 0 HG SER A 85 2.430 1.463 -16.324 1.00 0.00 H new ATOM 1313 N SER A 86 2.352 4.975 -13.732 1.00 0.00 N ATOM 1314 CA SER A 86 2.284 6.177 -12.909 1.00 0.00 C ATOM 1315 C SER A 86 0.837 6.619 -12.712 1.00 0.00 C ATOM 1316 O SER A 86 0.409 6.899 -11.592 1.00 0.00 O ATOM 1317 CB SER A 86 3.091 7.307 -13.552 1.00 0.00 C ATOM 1318 OG SER A 86 4.483 7.076 -13.422 1.00 0.00 O ATOM 0 H SER A 86 2.936 5.065 -14.563 1.00 0.00 H new ATOM 0 HA SER A 86 2.711 5.944 -11.933 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.830 7.390 -14.607 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.831 8.256 -13.083 1.00 0.00 H new ATOM 0 HG SER A 86 4.977 7.811 -13.842 1.00 0.00 H new ATOM 1324 N ASP A 87 0.089 6.679 -13.808 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.311 7.086 -13.757 1.00 0.00 C ATOM 1326 C ASP A 87 -2.039 6.385 -12.614 1.00 0.00 C ATOM 1327 O ASP A 87 -2.707 7.027 -11.803 1.00 0.00 O ATOM 1328 CB ASP A 87 -2.003 6.776 -15.085 1.00 0.00 C ATOM 1329 CG ASP A 87 -1.090 6.990 -16.277 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -0.578 8.118 -16.437 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -0.888 6.030 -17.049 1.00 0.00 O ATOM 0 H ASP A 87 0.428 6.451 -14.743 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.345 8.161 -13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.350 5.743 -15.078 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.885 7.408 -15.188 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.907 5.063 -12.557 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.553 4.274 -11.514 1.00 0.00 C ATOM 1338 C HIS A 88 -2.398 4.944 -10.152 1.00 0.00 C ATOM 1339 O HIS A 88 -3.317 4.926 -9.333 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.963 2.864 -11.472 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.900 1.840 -10.911 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.933 0.532 -11.346 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.840 1.936 -9.942 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -3.855 -0.132 -10.671 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.420 0.698 -9.812 1.00 0.00 N ATOM 0 H HIS A 88 -1.359 4.516 -13.221 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.615 4.208 -11.748 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.677 2.568 -12.481 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.052 2.878 -10.874 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.088 2.822 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.104 -1.175 -10.800 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.166 0.458 -9.159 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.231 5.533 -9.917 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.957 6.209 -8.655 1.00 0.00 C ATOM 1355 C ILE A 89 -1.656 7.562 -8.592 1.00 0.00 C ATOM 1356 O ILE A 89 -2.380 7.854 -7.641 1.00 0.00 O ATOM 1357 CB ILE A 89 0.555 6.414 -8.443 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.254 5.066 -8.254 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.804 7.319 -7.245 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.581 4.367 -9.555 1.00 0.00 C ATOM 0 H ILE A 89 -0.460 5.556 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.343 5.567 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 89 0.969 6.895 -9.329 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.175 5.219 -7.692 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.618 4.417 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.877 7.454 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.335 8.288 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.379 6.864 -6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.075 3.418 -9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.661 4.182 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.243 4.996 -10.150 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.436 8.384 -9.614 1.00 0.00 N ATOM 1373 CA GLU A 90 -2.046 9.707 -9.675 1.00 0.00 C ATOM 1374 C GLU A 90 -3.515 9.647 -9.266 1.00 0.00 C ATOM 1375 O GLU A 90 -4.022 10.549 -8.600 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.921 10.286 -11.085 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.504 10.694 -11.453 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.444 11.509 -12.730 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.961 12.645 -12.734 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.121 11.009 -13.725 1.00 0.00 O ATOM 0 H GLU A 90 -0.840 8.157 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.518 10.356 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.276 9.548 -11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.574 11.155 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.073 11.273 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.109 9.800 -11.568 1.00 0.00 H new ATOM 1387 N SER A 91 -4.193 8.578 -9.671 1.00 0.00 N ATOM 1388 CA SER A 91 -5.605 8.402 -9.352 1.00 0.00 C ATOM 1389 C SER A 91 -5.802 8.210 -7.851 1.00 0.00 C ATOM 1390 O SER A 91 -6.592 8.915 -7.221 1.00 0.00 O ATOM 1391 CB SER A 91 -6.175 7.202 -10.110 1.00 0.00 C ATOM 1392 OG SER A 91 -7.575 7.331 -10.290 1.00 0.00 O ATOM 0 H SER A 91 -3.787 7.821 -10.221 1.00 0.00 H new ATOM 0 HA SER A 91 -6.137 9.302 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.687 7.116 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.959 6.285 -9.562 1.00 0.00 H new ATOM 0 HG SER A 91 -7.915 6.552 -10.778 1.00 0.00 H new ATOM 1398 N LYS A 92 -5.079 7.252 -7.283 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.171 6.966 -5.856 1.00 0.00 C ATOM 1400 C LYS A 92 -4.833 8.203 -5.031 1.00 0.00 C ATOM 1401 O LYS A 92 -5.379 8.406 -3.947 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.231 5.818 -5.483 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.441 4.565 -6.315 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.762 3.890 -5.984 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.786 2.447 -6.463 1.00 0.00 C ATOM 1406 NZ LYS A 92 -7.088 1.786 -6.169 1.00 0.00 N ATOM 0 H LYS A 92 -4.422 6.659 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.197 6.673 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.200 6.152 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.371 5.573 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.418 4.822 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.621 3.869 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.927 3.920 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.580 4.442 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.598 2.418 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.980 1.892 -5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.064 0.804 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.256 1.791 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.855 2.301 -6.648 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.930 9.028 -5.551 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.536 10.236 -4.849 1.00 0.00 C ATOM 1422 C GLY A 93 -2.306 10.030 -3.987 1.00 0.00 C ATOM 1423 O GLY A 93 -1.945 10.898 -3.193 1.00 0.00 O ATOM 0 H GLY A 93 -3.464 8.882 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.340 11.026 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.362 10.575 -4.223 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.662 8.878 -4.143 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.467 8.561 -3.372 1.00 0.00 C ATOM 1429 C ILE A 94 0.735 9.359 -3.867 1.00 0.00 C ATOM 1430 O ILE A 94 0.953 9.490 -5.072 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.134 7.059 -3.440 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.384 6.224 -3.155 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.974 6.717 -2.455 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.307 4.815 -3.700 1.00 0.00 C ATOM 0 H ILE A 94 -1.948 8.149 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.679 8.831 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 94 0.215 6.824 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.544 6.180 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.251 6.725 -3.586 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.198 5.652 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.868 7.290 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.651 6.963 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.227 4.282 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.178 4.850 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.460 4.297 -3.251 1.00 0.00 H new ATOM 1446 N LYS A 95 1.512 9.891 -2.930 1.00 0.00 N ATOM 1447 CA LYS A 95 2.694 10.674 -3.270 1.00 0.00 C ATOM 1448 C LYS A 95 3.599 10.849 -2.054 1.00 0.00 C ATOM 1449 O LYS A 95 3.270 10.402 -0.955 1.00 0.00 O ATOM 1450 CB LYS A 95 2.284 12.043 -3.816 1.00 0.00 C ATOM 1451 CG LYS A 95 1.109 12.664 -3.080 1.00 0.00 C ATOM 1452 CD LYS A 95 1.539 13.276 -1.758 1.00 0.00 C ATOM 1453 CE LYS A 95 0.578 14.365 -1.308 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.510 15.484 -2.288 1.00 0.00 N ATOM 0 H LYS A 95 1.344 9.794 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 95 3.248 10.135 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.137 12.719 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.029 11.943 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.651 13.431 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.349 11.904 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.591 12.498 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.541 13.693 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.416 13.939 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.894 14.750 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.655 16.388 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.250 15.360 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.423 15.487 -2.748 1.00 0.00 H new ATOM 1468 N ILE A 96 4.737 11.504 -2.258 1.00 0.00 N ATOM 1469 CA ILE A 96 5.686 11.740 -1.177 1.00 0.00 C ATOM 1470 C ILE A 96 5.034 12.506 -0.031 1.00 0.00 C ATOM 1471 O ILE A 96 4.212 13.396 -0.252 1.00 0.00 O ATOM 1472 CB ILE A 96 6.916 12.525 -1.670 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.586 11.788 -2.832 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.901 12.736 -0.530 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.358 10.560 -2.403 1.00 0.00 C ATOM 0 H ILE A 96 5.024 11.881 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 96 6.008 10.762 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 96 6.588 13.502 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.824 11.494 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.263 12.472 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.765 13.292 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.418 13.298 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.227 11.769 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.806 10.088 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.143 10.849 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.682 9.856 -1.917 1.00 0.00 H new ATOM 1487 N LYS A 97 5.407 12.155 1.195 1.00 0.00 N ATOM 1488 CA LYS A 97 4.863 12.811 2.378 1.00 0.00 C ATOM 1489 C LYS A 97 3.392 12.454 2.569 1.00 0.00 C ATOM 1490 O LYS A 97 2.571 13.316 2.882 1.00 0.00 O ATOM 1491 CB LYS A 97 5.020 14.329 2.263 1.00 0.00 C ATOM 1492 CG LYS A 97 6.418 14.767 1.863 1.00 0.00 C ATOM 1493 CD LYS A 97 7.350 14.820 3.062 1.00 0.00 C ATOM 1494 CE LYS A 97 8.805 14.683 2.643 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.709 14.532 3.817 1.00 0.00 N ATOM 0 H LYS A 97 6.084 11.419 1.395 1.00 0.00 H new ATOM 0 HA LYS A 97 5.420 12.460 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.307 14.705 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.765 14.786 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.818 14.077 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.372 15.749 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.210 15.762 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.094 14.022 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.914 13.819 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.101 15.560 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.692 14.442 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.624 15.368 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.443 13.681 4.353 1.00 0.00 H new ATOM 1509 N GLU A 98 3.067 11.179 2.380 1.00 0.00 N ATOM 1510 CA GLU A 98 1.695 10.710 2.533 1.00 0.00 C ATOM 1511 C GLU A 98 1.626 9.537 3.506 1.00 0.00 C ATOM 1512 O GLU A 98 2.102 8.440 3.210 1.00 0.00 O ATOM 1513 CB GLU A 98 1.121 10.296 1.176 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.395 10.383 1.105 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.922 11.739 1.534 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -1.134 11.934 2.749 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.122 12.603 0.656 1.00 0.00 O ATOM 0 H GLU A 98 3.735 10.453 2.121 1.00 0.00 H new ATOM 0 HA GLU A 98 1.100 11.529 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.550 10.931 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.429 9.273 0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.720 10.177 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.830 9.611 1.740 1.00 0.00 H new ATOM 1524 N THR A 99 1.031 9.776 4.671 1.00 0.00 N ATOM 1525 CA THR A 99 0.901 8.741 5.689 1.00 0.00 C ATOM 1526 C THR A 99 -0.163 7.720 5.302 1.00 0.00 C ATOM 1527 O THR A 99 -1.315 8.073 5.055 1.00 0.00 O ATOM 1528 CB THR A 99 0.542 9.345 7.060 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.379 10.474 7.332 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.702 8.311 8.165 1.00 0.00 C ATOM 0 H THR A 99 0.632 10.677 4.933 1.00 0.00 H new ATOM 0 HA THR A 99 1.868 8.244 5.761 1.00 0.00 H new ATOM 0 HB THR A 99 -0.500 9.664 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.143 10.853 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.443 8.760 9.124 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.042 7.465 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.735 7.966 8.193 1.00 0.00 H new ATOM 1538 N MET A 100 0.232 6.452 5.253 1.00 0.00 N ATOM 1539 CA MET A 100 -0.689 5.378 4.898 1.00 0.00 C ATOM 1540 C MET A 100 -1.065 4.555 6.126 1.00 0.00 C ATOM 1541 O MET A 100 -0.476 4.715 7.195 1.00 0.00 O ATOM 1542 CB MET A 100 -0.065 4.473 3.834 1.00 0.00 C ATOM 1543 CG MET A 100 0.503 5.233 2.646 1.00 0.00 C ATOM 1544 SD MET A 100 0.471 4.267 1.124 1.00 0.00 S ATOM 1545 CE MET A 100 -1.019 4.897 0.355 1.00 0.00 C ATOM 0 H MET A 100 1.183 6.143 5.454 1.00 0.00 H new ATOM 0 HA MET A 100 -1.595 5.829 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.730 3.883 4.291 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.819 3.771 3.479 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.066 6.151 2.501 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.530 5.526 2.864 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.195 4.370 -0.583 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.866 4.743 1.023 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.903 5.962 0.156 1.00 0.00 H new ATOM 1555 N TYR A 101 -2.047 3.676 5.966 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.503 2.830 7.063 1.00 0.00 C ATOM 1557 C TYR A 101 -2.931 1.459 6.551 1.00 0.00 C ATOM 1558 O TYR A 101 -3.018 1.232 5.344 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.665 3.498 7.800 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.407 4.945 8.153 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.244 5.904 7.160 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.324 5.354 9.478 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.008 7.228 7.477 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -3.089 6.676 9.804 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.931 7.609 8.801 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.696 8.926 9.122 1.00 0.00 O ATOM 0 H TYR A 101 -2.543 3.530 5.087 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.672 2.696 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.560 3.438 7.180 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.872 2.941 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.303 5.609 6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.445 4.626 10.267 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.885 7.960 6.693 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -3.029 6.977 10.839 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.672 9.026 10.097 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.199 0.546 7.479 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.619 -0.805 7.124 1.00 0.00 C ATOM 1578 C PHE A 102 -4.766 -1.270 8.016 1.00 0.00 C ATOM 1579 O PHE A 102 -5.129 -0.597 8.980 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.441 -1.775 7.241 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.659 -1.617 8.513 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.282 -1.737 9.745 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.300 -1.350 8.477 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.564 -1.591 10.917 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.424 -1.204 9.646 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.210 -1.326 10.868 1.00 0.00 C ATOM 0 H PHE A 102 -3.133 0.717 8.482 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.968 -0.791 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.815 -2.797 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.773 -1.627 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.340 -1.947 9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.200 -1.255 7.524 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.062 -1.684 11.871 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.483 -0.995 9.604 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.353 -1.214 11.783 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.333 -2.426 7.686 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.437 -2.983 8.457 1.00 0.00 C ATOM 1598 C ALA A 103 -6.204 -4.458 8.763 1.00 0.00 C ATOM 1599 O ALA A 103 -5.672 -5.198 7.934 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.749 -2.798 7.709 1.00 0.00 C ATOM 0 H ALA A 103 -5.046 -2.995 6.890 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.493 -2.447 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.565 -3.219 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.929 -1.735 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.694 -3.307 6.747 1.00 0.00 H new