USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot -18:sc= 0.208! USER MOD Set 1.2: A 87 TYR OH : rot 165:sc= -1.31! USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.0904 F(o=-3.1,f=-0.09) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0.994 USER MOD Set 3.2: A 35 LYS NZ :NH3+ -131:sc= 1.12 (180deg=-1.34) USER MOD Set 4.1: A 23 HIS : no HD1:sc= -0.118 K(o=-0.57,f=-1.2) USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 37 SER OG : rot 180:sc= -0.447 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -179:sc= -3.46! USER MOD Single : A 39 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= -0.0236 (180deg=-0.0441) USER MOD Single : A 45 ASN : amide:sc= -0.793! X(o=-0.79!,f=-1) USER MOD Single : A 49 THR OG1 : rot -173:sc= -0.547 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -52:sc= 0.279 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.42 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.452 K(o=0.45,f=-5.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 71:sc= 0.577 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 94 MET CE :methyl -160:sc= -2.76 (180deg=-3.27) USER MOD Single : A 95 THR OG1 : rot 160:sc= -0.482 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -5.29! C(o=-5.3!,f=-12!) USER MOD Single : A 101 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.41) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -170:sc= -0.0291 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -18:sc= -1.8 USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.921 -0.430 -12.799 1.00 0.00 N ATOM 203 CA ASP A 16 17.414 0.741 -12.093 1.00 0.00 C ATOM 204 C ASP A 16 16.571 0.966 -10.836 1.00 0.00 C ATOM 205 O ASP A 16 17.086 1.412 -9.812 1.00 0.00 O ATOM 206 CB ASP A 16 17.307 1.994 -12.965 1.00 0.00 C ATOM 207 CG ASP A 16 18.137 3.186 -12.487 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.559 3.149 -11.311 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.332 4.108 -13.308 1.00 0.00 O ATOM 0 HA ASP A 16 18.459 0.567 -11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.614 1.740 -13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.261 2.296 -13.015 1.00 0.00 H new ATOM 214 N VAL A 17 15.291 0.646 -10.956 1.00 0.00 N ATOM 215 CA VAL A 17 14.372 0.808 -9.842 1.00 0.00 C ATOM 216 C VAL A 17 14.422 -0.442 -8.960 1.00 0.00 C ATOM 217 O VAL A 17 14.937 -1.479 -9.375 1.00 0.00 O ATOM 218 CB VAL A 17 12.967 1.116 -10.362 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.823 2.600 -10.705 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.625 0.239 -11.569 1.00 0.00 C ATOM 0 H VAL A 17 14.869 0.275 -11.807 1.00 0.00 H new ATOM 0 HA VAL A 17 14.668 1.655 -9.224 1.00 0.00 H new ATOM 0 HB VAL A 17 12.257 0.885 -9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.815 2.792 -11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.004 3.199 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.547 2.867 -11.475 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.621 0.478 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.342 0.425 -12.369 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.668 -0.811 -11.280 1.00 0.00 H new ATOM 230 N PRO A 18 13.866 -0.298 -7.727 1.00 0.00 N ATOM 231 CA PRO A 18 13.842 -1.402 -6.783 1.00 0.00 C ATOM 232 C PRO A 18 12.786 -2.437 -7.177 1.00 0.00 C ATOM 233 O PRO A 18 12.102 -2.278 -8.187 1.00 0.00 O ATOM 234 CB PRO A 18 13.570 -0.760 -5.433 1.00 0.00 C ATOM 235 CG PRO A 18 12.992 0.614 -5.734 1.00 0.00 C ATOM 236 CD PRO A 18 13.248 0.916 -7.201 1.00 0.00 C ATOM 0 HA PRO A 18 14.779 -1.958 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.871 -1.359 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.486 -0.679 -4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.923 0.633 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.457 1.371 -5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.321 1.147 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.905 1.778 -7.319 1.00 0.00 H new ATOM 244 N GLY A 19 12.687 -3.474 -6.359 1.00 0.00 N ATOM 245 CA GLY A 19 11.725 -4.535 -6.609 1.00 0.00 C ATOM 246 C GLY A 19 10.577 -4.483 -5.599 1.00 0.00 C ATOM 247 O GLY A 19 10.276 -3.425 -5.049 1.00 0.00 O ATOM 0 H GLY A 19 13.257 -3.603 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.329 -4.441 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.222 -5.503 -6.550 1.00 0.00 H new ATOM 251 N PRO A 20 9.950 -5.671 -5.380 1.00 0.00 N ATOM 252 CA PRO A 20 8.842 -5.771 -4.446 1.00 0.00 C ATOM 253 C PRO A 20 9.337 -5.726 -3.000 1.00 0.00 C ATOM 254 O PRO A 20 10.287 -6.422 -2.643 1.00 0.00 O ATOM 255 CB PRO A 20 8.149 -7.077 -4.797 1.00 0.00 C ATOM 256 CG PRO A 20 9.159 -7.883 -5.597 1.00 0.00 C ATOM 257 CD PRO A 20 10.280 -6.944 -6.013 1.00 0.00 C ATOM 0 HA PRO A 20 8.149 -4.934 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.847 -7.613 -3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.245 -6.896 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.552 -8.705 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.686 -8.325 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.250 -7.313 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.332 -6.845 -7.097 1.00 0.00 H new ATOM 265 N VAL A 21 8.672 -4.900 -2.205 1.00 0.00 N ATOM 266 CA VAL A 21 9.033 -4.756 -0.805 1.00 0.00 C ATOM 267 C VAL A 21 8.928 -6.116 -0.113 1.00 0.00 C ATOM 268 O VAL A 21 8.378 -7.062 -0.675 1.00 0.00 O ATOM 269 CB VAL A 21 8.163 -3.682 -0.149 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.672 -2.280 -0.490 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.695 -3.845 -0.549 1.00 0.00 C ATOM 0 H VAL A 21 7.885 -4.324 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 21 10.066 -4.422 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 21 8.232 -3.810 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.036 -1.536 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.695 -2.167 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.648 -2.137 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.099 -3.069 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.601 -3.757 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.338 -4.825 -0.232 1.00 0.00 H new ATOM 281 N GLY A 22 9.464 -6.171 1.098 1.00 0.00 N ATOM 282 CA GLY A 22 9.437 -7.400 1.873 1.00 0.00 C ATOM 283 C GLY A 22 8.113 -8.142 1.678 1.00 0.00 C ATOM 284 O GLY A 22 8.026 -9.059 0.864 1.00 0.00 O ATOM 0 H GLY A 22 9.919 -5.384 1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.265 -8.042 1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.578 -7.171 2.929 1.00 0.00 H new ATOM 288 N HIS A 23 7.116 -7.717 2.440 1.00 0.00 N ATOM 289 CA HIS A 23 5.801 -8.330 2.362 1.00 0.00 C ATOM 290 C HIS A 23 4.754 -7.374 2.936 1.00 0.00 C ATOM 291 O HIS A 23 5.035 -6.632 3.876 1.00 0.00 O ATOM 292 CB HIS A 23 5.797 -9.697 3.050 1.00 0.00 C ATOM 293 CG HIS A 23 5.336 -9.659 4.487 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.077 -10.074 4.882 1.00 0.00 N ATOM 295 CD2 HIS A 23 5.981 -9.253 5.619 1.00 0.00 C ATOM 296 CE1 HIS A 23 3.978 -9.919 6.195 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.158 -9.410 6.649 1.00 0.00 N ATOM 0 H HIS A 23 7.192 -6.956 3.114 1.00 0.00 H new ATOM 0 HA HIS A 23 5.542 -8.512 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.151 -10.373 2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.803 -10.114 3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.989 -8.869 5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.114 -10.155 6.799 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.373 -9.186 7.621 1.00 0.00 H new ATOM 305 N LEU A 24 3.568 -7.423 2.346 1.00 0.00 N ATOM 306 CA LEU A 24 2.478 -6.570 2.788 1.00 0.00 C ATOM 307 C LEU A 24 1.968 -7.062 4.144 1.00 0.00 C ATOM 308 O LEU A 24 1.937 -8.264 4.400 1.00 0.00 O ATOM 309 CB LEU A 24 1.390 -6.492 1.714 1.00 0.00 C ATOM 310 CG LEU A 24 1.439 -5.267 0.798 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.733 -4.072 1.442 1.00 0.00 C ATOM 312 CD2 LEU A 24 2.879 -4.936 0.401 1.00 0.00 C ATOM 0 H LEU A 24 3.339 -8.040 1.567 1.00 0.00 H new ATOM 0 HA LEU A 24 2.828 -5.548 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.453 -7.387 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.418 -6.514 2.207 1.00 0.00 H new ATOM 0 HG LEU A 24 0.899 -5.504 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.782 -3.215 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.310 -4.325 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.223 -3.824 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.885 -4.062 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.464 -4.726 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.315 -5.784 -0.127 1.00 0.00 H new ATOM 324 N SER A 25 1.582 -6.107 4.977 1.00 0.00 N ATOM 325 CA SER A 25 1.075 -6.428 6.300 1.00 0.00 C ATOM 326 C SER A 25 -0.081 -5.492 6.659 1.00 0.00 C ATOM 327 O SER A 25 -0.063 -4.313 6.306 1.00 0.00 O ATOM 328 CB SER A 25 2.182 -6.332 7.352 1.00 0.00 C ATOM 329 OG SER A 25 3.420 -6.850 6.873 1.00 0.00 O ATOM 0 H SER A 25 1.610 -5.110 4.761 1.00 0.00 H new ATOM 0 HA SER A 25 0.711 -7.455 6.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.314 -5.291 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.881 -6.879 8.246 1.00 0.00 H new ATOM 0 HG SER A 25 4.101 -6.770 7.573 1.00 0.00 H new ATOM 335 N PHE A 26 -1.058 -6.051 7.357 1.00 0.00 N ATOM 336 CA PHE A 26 -2.220 -5.281 7.768 1.00 0.00 C ATOM 337 C PHE A 26 -2.592 -5.583 9.221 1.00 0.00 C ATOM 338 O PHE A 26 -2.789 -6.740 9.588 1.00 0.00 O ATOM 339 CB PHE A 26 -3.378 -5.700 6.860 1.00 0.00 C ATOM 340 CG PHE A 26 -3.099 -5.510 5.368 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.523 -4.360 4.925 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.428 -6.490 4.484 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.264 -4.183 3.540 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.169 -6.313 3.099 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.593 -5.164 2.657 1.00 0.00 C ATOM 0 H PHE A 26 -1.069 -7.028 7.649 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.007 -4.215 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.610 -6.749 7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.264 -5.125 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.263 -3.581 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.886 -7.403 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.806 -3.270 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.430 -7.091 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.396 -5.030 1.604 1.00 0.00 H new ATOM 355 N SER A 27 -2.676 -4.521 10.009 1.00 0.00 N ATOM 356 CA SER A 27 -3.021 -4.658 11.414 1.00 0.00 C ATOM 357 C SER A 27 -4.039 -3.586 11.810 1.00 0.00 C ATOM 358 O SER A 27 -4.327 -2.680 11.029 1.00 0.00 O ATOM 359 CB SER A 27 -1.776 -4.560 12.299 1.00 0.00 C ATOM 360 OG SER A 27 -1.178 -3.268 12.237 1.00 0.00 O ATOM 0 H SER A 27 -2.511 -3.563 9.701 1.00 0.00 H new ATOM 0 HA SER A 27 -3.463 -5.643 11.563 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.046 -4.786 13.331 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.050 -5.311 11.988 1.00 0.00 H new ATOM 0 HG SER A 27 -0.388 -3.245 12.816 1.00 0.00 H new ATOM 366 N GLU A 28 -4.555 -3.725 13.022 1.00 0.00 N ATOM 367 CA GLU A 28 -5.535 -2.780 13.531 1.00 0.00 C ATOM 368 C GLU A 28 -6.514 -2.383 12.424 1.00 0.00 C ATOM 369 O GLU A 28 -6.774 -1.198 12.217 1.00 0.00 O ATOM 370 CB GLU A 28 -4.850 -1.547 14.126 1.00 0.00 C ATOM 371 CG GLU A 28 -4.121 -1.898 15.424 1.00 0.00 C ATOM 372 CD GLU A 28 -5.104 -2.389 16.489 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.685 -1.518 17.171 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.252 -3.626 16.597 1.00 0.00 O ATOM 0 H GLU A 28 -4.313 -4.478 13.667 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.097 -3.264 14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.141 -1.137 13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.592 -0.772 14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.375 -2.669 15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.586 -1.023 15.793 1.00 0.00 H new ATOM 381 N ILE A 29 -7.030 -3.395 11.744 1.00 0.00 N ATOM 382 CA ILE A 29 -7.975 -3.167 10.664 1.00 0.00 C ATOM 383 C ILE A 29 -9.342 -2.817 11.254 1.00 0.00 C ATOM 384 O ILE A 29 -9.706 -3.308 12.321 1.00 0.00 O ATOM 385 CB ILE A 29 -8.003 -4.366 9.714 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.593 -4.726 9.243 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.953 -4.114 8.541 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.641 -5.632 8.010 1.00 0.00 C ATOM 0 H ILE A 29 -6.812 -4.376 11.920 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.662 -2.317 10.057 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.388 -5.226 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.041 -3.816 9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.054 -5.228 10.047 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.954 -4.981 7.881 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.961 -3.944 8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.621 -3.236 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.625 -5.873 7.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.173 -6.551 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.159 -5.118 7.200 1.00 0.00 H new ATOM 400 N LEU A 30 -10.063 -1.971 10.532 1.00 0.00 N ATOM 401 CA LEU A 30 -11.383 -1.549 10.971 1.00 0.00 C ATOM 402 C LEU A 30 -12.417 -1.946 9.916 1.00 0.00 C ATOM 403 O LEU A 30 -12.317 -3.014 9.314 1.00 0.00 O ATOM 404 CB LEU A 30 -11.385 -0.056 11.303 1.00 0.00 C ATOM 405 CG LEU A 30 -10.251 0.433 12.206 1.00 0.00 C ATOM 406 CD1 LEU A 30 -9.943 1.909 11.950 1.00 0.00 C ATOM 407 CD2 LEU A 30 -10.565 0.159 13.678 1.00 0.00 C ATOM 0 H LEU A 30 -9.758 -1.567 9.647 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.658 -2.058 11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.345 0.504 10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.334 0.188 11.781 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.351 -0.130 11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.133 2.231 12.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.644 2.043 10.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.832 2.507 12.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.743 0.516 14.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.482 0.678 13.957 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.694 -0.913 13.829 1.00 0.00 H new ATOM 419 N ASP A 31 -13.388 -1.065 9.724 1.00 0.00 N ATOM 420 CA ASP A 31 -14.440 -1.310 8.753 1.00 0.00 C ATOM 421 C ASP A 31 -14.200 -0.439 7.518 1.00 0.00 C ATOM 422 O ASP A 31 -14.697 -0.743 6.434 1.00 0.00 O ATOM 423 CB ASP A 31 -15.813 -0.952 9.325 1.00 0.00 C ATOM 424 CG ASP A 31 -15.855 0.338 10.145 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.787 0.705 10.681 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.954 0.929 10.218 1.00 0.00 O ATOM 0 H ASP A 31 -13.468 -0.180 10.225 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.422 -2.369 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.521 -0.864 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.154 -1.775 9.953 1.00 0.00 H new ATOM 431 N THR A 32 -13.440 0.626 7.723 1.00 0.00 N ATOM 432 CA THR A 32 -13.129 1.543 6.639 1.00 0.00 C ATOM 433 C THR A 32 -11.767 2.201 6.872 1.00 0.00 C ATOM 434 O THR A 32 -11.519 3.307 6.396 1.00 0.00 O ATOM 435 CB THR A 32 -14.277 2.547 6.526 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.213 3.287 7.742 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.650 1.874 6.570 1.00 0.00 C ATOM 0 H THR A 32 -13.030 0.875 8.623 1.00 0.00 H new ATOM 0 HA THR A 32 -13.043 1.017 5.688 1.00 0.00 H new ATOM 0 HB THR A 32 -14.178 3.108 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.923 3.963 7.752 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.429 2.631 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.737 1.170 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.763 1.340 7.513 1.00 0.00 H new ATOM 445 N SER A 33 -10.920 1.492 7.604 1.00 0.00 N ATOM 446 CA SER A 33 -9.590 1.993 7.906 1.00 0.00 C ATOM 447 C SER A 33 -8.714 0.860 8.444 1.00 0.00 C ATOM 448 O SER A 33 -9.101 0.162 9.380 1.00 0.00 O ATOM 449 CB SER A 33 -9.650 3.142 8.914 1.00 0.00 C ATOM 450 OG SER A 33 -10.803 3.061 9.748 1.00 0.00 O ATOM 0 H SER A 33 -11.129 0.574 7.997 1.00 0.00 H new ATOM 0 HA SER A 33 -9.152 2.377 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.753 3.128 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.655 4.092 8.380 1.00 0.00 H new ATOM 0 HG SER A 33 -10.812 3.820 10.368 1.00 0.00 H new ATOM 456 N LEU A 34 -7.550 0.712 7.830 1.00 0.00 N ATOM 457 CA LEU A 34 -6.615 -0.324 8.235 1.00 0.00 C ATOM 458 C LEU A 34 -5.186 0.210 8.120 1.00 0.00 C ATOM 459 O LEU A 34 -4.918 1.108 7.323 1.00 0.00 O ATOM 460 CB LEU A 34 -6.858 -1.607 7.438 1.00 0.00 C ATOM 461 CG LEU A 34 -6.826 -1.466 5.915 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.388 -1.369 5.403 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.599 -2.603 5.242 1.00 0.00 C ATOM 0 H LEU A 34 -7.232 1.293 7.054 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.772 -0.591 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.107 -2.341 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.829 -2.012 7.725 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.326 -0.535 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.394 -1.270 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.903 -0.499 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.841 -2.270 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.560 -2.479 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.150 -3.559 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.637 -2.583 5.573 1.00 0.00 H new ATOM 475 N LYS A 35 -4.307 -0.364 8.927 1.00 0.00 N ATOM 476 CA LYS A 35 -2.912 0.043 8.926 1.00 0.00 C ATOM 477 C LYS A 35 -2.119 -0.872 7.991 1.00 0.00 C ATOM 478 O LYS A 35 -2.185 -2.095 8.110 1.00 0.00 O ATOM 479 CB LYS A 35 -2.365 0.086 10.354 1.00 0.00 C ATOM 480 CG LYS A 35 -1.103 0.948 10.432 1.00 0.00 C ATOM 481 CD LYS A 35 0.044 0.182 11.093 1.00 0.00 C ATOM 482 CE LYS A 35 0.752 -0.723 10.083 1.00 0.00 C ATOM 483 NZ LYS A 35 0.290 -2.122 10.228 1.00 0.00 N ATOM 0 H LYS A 35 -4.533 -1.108 9.587 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.812 1.058 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.124 0.485 11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.140 -0.926 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.808 1.258 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.313 1.856 10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.759 0.886 11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.342 -0.418 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.555 -0.372 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.830 -0.672 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.113 -2.756 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.270 -2.214 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.298 -2.380 9.410 1.00 0.00 H new ATOM 497 N VAL A 36 -1.387 -0.246 7.082 1.00 0.00 N ATOM 498 CA VAL A 36 -0.582 -0.988 6.128 1.00 0.00 C ATOM 499 C VAL A 36 0.883 -0.959 6.570 1.00 0.00 C ATOM 500 O VAL A 36 1.364 0.056 7.070 1.00 0.00 O ATOM 501 CB VAL A 36 -0.792 -0.430 4.719 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.172 -1.077 3.723 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.244 -0.605 4.270 1.00 0.00 C ATOM 0 H VAL A 36 -1.335 0.768 6.986 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.892 -2.033 6.099 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.577 0.638 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.001 -0.662 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.199 -0.877 4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.004 -2.154 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.366 -0.200 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.499 -1.665 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.904 -0.075 4.957 1.00 0.00 H new ATOM 513 N SER A 37 1.551 -2.086 6.370 1.00 0.00 N ATOM 514 CA SER A 37 2.950 -2.202 6.742 1.00 0.00 C ATOM 515 C SER A 37 3.696 -3.055 5.713 1.00 0.00 C ATOM 516 O SER A 37 3.083 -3.834 4.985 1.00 0.00 O ATOM 517 CB SER A 37 3.100 -2.806 8.140 1.00 0.00 C ATOM 518 OG SER A 37 4.077 -3.842 8.172 1.00 0.00 O ATOM 0 H SER A 37 1.149 -2.927 5.955 1.00 0.00 H new ATOM 0 HA SER A 37 3.383 -1.202 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.379 -2.023 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.140 -3.203 8.468 1.00 0.00 H new ATOM 0 HG SER A 37 4.144 -4.201 9.082 1.00 0.00 H new ATOM 524 N TRP A 38 5.009 -2.878 5.686 1.00 0.00 N ATOM 525 CA TRP A 38 5.845 -3.621 4.758 1.00 0.00 C ATOM 526 C TRP A 38 7.289 -3.547 5.259 1.00 0.00 C ATOM 527 O TRP A 38 7.545 -3.045 6.353 1.00 0.00 O ATOM 528 CB TRP A 38 5.680 -3.097 3.331 1.00 0.00 C ATOM 529 CG TRP A 38 5.976 -1.603 3.178 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.156 -1.017 2.935 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.022 -0.524 3.268 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.033 0.356 2.863 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.694 0.665 3.071 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.637 -0.552 3.507 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.063 1.915 3.094 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.021 0.705 3.527 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.683 1.911 3.331 1.00 0.00 C ATOM 0 H TRP A 38 5.514 -2.231 6.292 1.00 0.00 H new ATOM 0 HA TRP A 38 5.543 -4.668 4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.342 -3.657 2.670 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.660 -3.291 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.086 -1.551 2.811 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.786 1.021 2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.091 -1.471 3.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.611 2.832 2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.957 0.740 3.707 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.135 2.841 3.361 1.00 0.00 H new ATOM 548 N GLN A 39 8.194 -4.053 4.435 1.00 0.00 N ATOM 549 CA GLN A 39 9.605 -4.051 4.781 1.00 0.00 C ATOM 550 C GLN A 39 10.442 -3.569 3.594 1.00 0.00 C ATOM 551 O GLN A 39 9.904 -3.291 2.523 1.00 0.00 O ATOM 552 CB GLN A 39 10.059 -5.436 5.246 1.00 0.00 C ATOM 553 CG GLN A 39 9.771 -5.636 6.735 1.00 0.00 C ATOM 554 CD GLN A 39 10.818 -6.548 7.378 1.00 0.00 C ATOM 555 OE1 GLN A 39 11.450 -7.365 6.728 1.00 0.00 O ATOM 556 NE2 GLN A 39 10.966 -6.364 8.687 1.00 0.00 N ATOM 0 H GLN A 39 7.978 -4.467 3.528 1.00 0.00 H new ATOM 0 HA GLN A 39 9.754 -3.360 5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.547 -6.204 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.126 -5.554 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.765 -4.670 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.779 -6.069 6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.405 -5.663 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.641 -6.924 9.208 1.00 0.00 H new ATOM 565 N GLU A 40 11.744 -3.486 3.824 1.00 0.00 N ATOM 566 CA GLU A 40 12.660 -3.043 2.786 1.00 0.00 C ATOM 567 C GLU A 40 12.987 -4.199 1.838 1.00 0.00 C ATOM 568 O GLU A 40 13.267 -5.311 2.282 1.00 0.00 O ATOM 569 CB GLU A 40 13.935 -2.456 3.395 1.00 0.00 C ATOM 570 CG GLU A 40 13.953 -0.932 3.267 1.00 0.00 C ATOM 571 CD GLU A 40 15.132 -0.331 4.034 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.590 -0.999 4.986 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.550 0.783 3.651 1.00 0.00 O ATOM 0 H GLU A 40 12.187 -3.718 4.713 1.00 0.00 H new ATOM 0 HA GLU A 40 12.174 -2.254 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.003 -2.737 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.808 -2.877 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.018 -0.653 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.019 -0.520 3.649 1.00 0.00 H new ATOM 580 N PRO A 41 12.938 -3.888 0.515 1.00 0.00 N ATOM 581 CA PRO A 41 13.225 -4.887 -0.500 1.00 0.00 C ATOM 582 C PRO A 41 14.727 -5.166 -0.585 1.00 0.00 C ATOM 583 O PRO A 41 15.542 -4.298 -0.275 1.00 0.00 O ATOM 584 CB PRO A 41 12.653 -4.316 -1.787 1.00 0.00 C ATOM 585 CG PRO A 41 12.483 -2.826 -1.543 1.00 0.00 C ATOM 586 CD PRO A 41 12.610 -2.581 -0.048 1.00 0.00 C ATOM 0 HA PRO A 41 12.777 -5.855 -0.276 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.322 -4.500 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.699 -4.783 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.239 -2.261 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.511 -2.488 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.389 -1.850 0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.682 -2.191 0.370 1.00 0.00 H new ATOM 594 N GLY A 42 15.048 -6.380 -1.008 1.00 0.00 N ATOM 595 CA GLY A 42 16.438 -6.784 -1.138 1.00 0.00 C ATOM 596 C GLY A 42 17.011 -6.352 -2.489 1.00 0.00 C ATOM 597 O GLY A 42 18.200 -6.528 -2.748 1.00 0.00 O ATOM 0 H GLY A 42 14.370 -7.097 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.025 -6.343 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.517 -7.866 -1.035 1.00 0.00 H new ATOM 601 N GLU A 43 16.137 -5.793 -3.314 1.00 0.00 N ATOM 602 CA GLU A 43 16.541 -5.334 -4.632 1.00 0.00 C ATOM 603 C GLU A 43 16.435 -3.810 -4.719 1.00 0.00 C ATOM 604 O GLU A 43 16.054 -3.269 -5.756 1.00 0.00 O ATOM 605 CB GLU A 43 15.708 -6.005 -5.726 1.00 0.00 C ATOM 606 CG GLU A 43 14.378 -6.514 -5.167 1.00 0.00 C ATOM 607 CD GLU A 43 13.654 -7.394 -6.189 1.00 0.00 C ATOM 608 OE1 GLU A 43 13.611 -6.978 -7.367 1.00 0.00 O ATOM 609 OE2 GLU A 43 13.161 -8.463 -5.769 1.00 0.00 O ATOM 0 H GLU A 43 15.151 -5.648 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 43 17.582 -5.616 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.520 -5.296 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.268 -6.836 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.557 -7.082 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.745 -5.668 -4.897 1.00 0.00 H new ATOM 616 N LYS A 44 16.779 -3.161 -3.616 1.00 0.00 N ATOM 617 CA LYS A 44 16.727 -1.711 -3.554 1.00 0.00 C ATOM 618 C LYS A 44 17.231 -1.130 -4.877 1.00 0.00 C ATOM 619 O LYS A 44 16.804 -0.053 -5.289 1.00 0.00 O ATOM 620 CB LYS A 44 17.486 -1.199 -2.329 1.00 0.00 C ATOM 621 CG LYS A 44 16.801 -1.643 -1.035 1.00 0.00 C ATOM 622 CD LYS A 44 17.380 -0.905 0.174 1.00 0.00 C ATOM 623 CE LYS A 44 16.701 -1.355 1.469 1.00 0.00 C ATOM 624 NZ LYS A 44 17.703 -1.539 2.543 1.00 0.00 N ATOM 0 H LYS A 44 17.095 -3.613 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 44 15.699 -1.372 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.510 -1.572 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.542 -0.111 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.730 -1.453 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.926 -2.718 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.452 -1.090 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.249 0.169 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.962 -0.614 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.165 -2.289 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.232 -1.893 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.421 -2.225 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.161 -0.628 2.751 1.00 0.00 H new ATOM 638 N ASN A 45 18.133 -1.870 -5.505 1.00 0.00 N ATOM 639 CA ASN A 45 18.701 -1.442 -6.773 1.00 0.00 C ATOM 640 C ASN A 45 18.987 0.060 -6.717 1.00 0.00 C ATOM 641 O ASN A 45 18.873 0.755 -7.726 1.00 0.00 O ATOM 642 CB ASN A 45 17.728 -1.695 -7.925 1.00 0.00 C ATOM 643 CG ASN A 45 17.822 -3.142 -8.414 1.00 0.00 C ATOM 644 OD1 ASN A 45 18.773 -3.545 -9.063 1.00 0.00 O ATOM 645 ND2 ASN A 45 16.784 -3.898 -8.068 1.00 0.00 N ATOM 0 H ASN A 45 18.485 -2.763 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 45 19.616 -2.010 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.710 -1.483 -7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 45 17.948 -1.014 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.752 -4.879 -8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.020 -3.497 -7.523 1.00 0.00 H new ATOM 652 N GLY A 46 19.353 0.517 -5.528 1.00 0.00 N ATOM 653 CA GLY A 46 19.656 1.924 -5.328 1.00 0.00 C ATOM 654 C GLY A 46 19.186 2.395 -3.950 1.00 0.00 C ATOM 655 O GLY A 46 18.589 1.627 -3.198 1.00 0.00 O ATOM 0 H GLY A 46 19.446 -0.062 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.730 2.086 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.173 2.518 -6.104 1.00 0.00 H new ATOM 659 N ILE A 47 19.474 3.656 -3.662 1.00 0.00 N ATOM 660 CA ILE A 47 19.089 4.239 -2.388 1.00 0.00 C ATOM 661 C ILE A 47 17.613 4.637 -2.439 1.00 0.00 C ATOM 662 O ILE A 47 17.223 5.488 -3.238 1.00 0.00 O ATOM 663 CB ILE A 47 20.025 5.393 -2.021 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.423 4.876 -1.675 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.433 6.243 -0.896 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.348 3.724 -0.671 1.00 0.00 C ATOM 0 H ILE A 47 19.969 4.290 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 47 19.195 3.507 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 47 20.128 6.040 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.925 4.540 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.022 5.687 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.118 7.056 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.477 6.657 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.281 5.623 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.355 3.375 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.867 4.070 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.769 2.906 -1.099 1.00 0.00 H new ATOM 678 N LEU A 48 16.831 4.004 -1.577 1.00 0.00 N ATOM 679 CA LEU A 48 15.406 4.281 -1.515 1.00 0.00 C ATOM 680 C LEU A 48 15.193 5.737 -1.095 1.00 0.00 C ATOM 681 O LEU A 48 15.748 6.185 -0.093 1.00 0.00 O ATOM 682 CB LEU A 48 14.702 3.270 -0.608 1.00 0.00 C ATOM 683 CG LEU A 48 14.928 1.795 -0.947 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.302 0.887 0.114 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.417 1.471 -2.352 1.00 0.00 C ATOM 0 H LEU A 48 17.158 3.300 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 48 14.951 4.162 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.030 3.441 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.631 3.469 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 48 16.001 1.604 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.477 -0.156 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.753 1.096 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.229 1.073 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.590 0.417 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.349 1.683 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.947 2.082 -3.082 1.00 0.00 H new ATOM 697 N THR A 49 14.387 6.435 -1.882 1.00 0.00 N ATOM 698 CA THR A 49 14.093 7.830 -1.604 1.00 0.00 C ATOM 699 C THR A 49 12.713 7.966 -0.958 1.00 0.00 C ATOM 700 O THR A 49 12.365 9.029 -0.446 1.00 0.00 O ATOM 701 CB THR A 49 14.231 8.612 -2.912 1.00 0.00 C ATOM 702 OG1 THR A 49 13.588 7.787 -3.879 1.00 0.00 O ATOM 703 CG2 THR A 49 15.681 8.693 -3.395 1.00 0.00 C ATOM 0 H THR A 49 13.928 6.060 -2.712 1.00 0.00 H new ATOM 0 HA THR A 49 14.797 8.246 -0.883 1.00 0.00 H new ATOM 0 HB THR A 49 13.837 9.619 -2.776 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.728 8.162 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.723 9.258 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.289 9.192 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.065 7.687 -3.563 1.00 0.00 H new ATOM 711 N GLY A 50 11.963 6.874 -1.003 1.00 0.00 N ATOM 712 CA GLY A 50 10.629 6.859 -0.428 1.00 0.00 C ATOM 713 C GLY A 50 9.828 5.657 -0.935 1.00 0.00 C ATOM 714 O GLY A 50 10.348 4.832 -1.684 1.00 0.00 O ATOM 0 H GLY A 50 12.254 5.994 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.698 6.822 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.108 7.782 -0.684 1.00 0.00 H new ATOM 718 N TYR A 51 8.576 5.598 -0.505 1.00 0.00 N ATOM 719 CA TYR A 51 7.698 4.511 -0.906 1.00 0.00 C ATOM 720 C TYR A 51 6.343 5.046 -1.373 1.00 0.00 C ATOM 721 O TYR A 51 5.752 5.904 -0.721 1.00 0.00 O ATOM 722 CB TYR A 51 7.492 3.654 0.344 1.00 0.00 C ATOM 723 CG TYR A 51 8.767 2.982 0.856 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.304 1.909 0.173 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.381 3.448 2.000 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.504 1.276 0.655 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.582 2.816 2.482 1.00 0.00 C ATOM 728 CZ TYR A 51 11.084 1.761 1.786 1.00 0.00 C ATOM 729 OH TYR A 51 12.218 1.164 2.241 1.00 0.00 O ATOM 0 H TYR A 51 8.149 6.285 0.117 1.00 0.00 H new ATOM 0 HA TYR A 51 8.134 3.948 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.080 4.279 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.751 2.885 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.824 1.544 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.961 4.287 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.934 0.435 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.073 3.172 3.376 1.00 0.00 H new ATOM 0 HH TYR A 51 12.521 1.616 3.056 1.00 0.00 H new ATOM 739 N ARG A 52 5.891 4.515 -2.500 1.00 0.00 N ATOM 740 CA ARG A 52 4.616 4.928 -3.062 1.00 0.00 C ATOM 741 C ARG A 52 3.543 3.877 -2.772 1.00 0.00 C ATOM 742 O ARG A 52 3.585 2.774 -3.315 1.00 0.00 O ATOM 743 CB ARG A 52 4.722 5.134 -4.575 1.00 0.00 C ATOM 744 CG ARG A 52 3.797 6.260 -5.041 1.00 0.00 C ATOM 745 CD ARG A 52 3.318 6.018 -6.474 1.00 0.00 C ATOM 746 NE ARG A 52 4.414 6.297 -7.428 1.00 0.00 N ATOM 747 CZ ARG A 52 4.259 6.341 -8.758 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.052 6.126 -9.300 1.00 0.00 N ATOM 749 NH2 ARG A 52 5.310 6.602 -9.547 1.00 0.00 N ATOM 0 H ARG A 52 6.384 3.803 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 52 4.339 5.874 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.752 5.371 -4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.463 4.209 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.938 6.330 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.322 7.214 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.982 4.987 -6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.463 6.657 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 52 5.346 6.466 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.251 5.929 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.934 6.160 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.228 6.767 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.192 6.635 -10.560 1.00 0.00 H new ATOM 763 N ILE A 53 2.605 4.256 -1.916 1.00 0.00 N ATOM 764 CA ILE A 53 1.522 3.360 -1.547 1.00 0.00 C ATOM 765 C ILE A 53 0.253 3.762 -2.302 1.00 0.00 C ATOM 766 O ILE A 53 0.048 4.939 -2.594 1.00 0.00 O ATOM 767 CB ILE A 53 1.349 3.327 -0.027 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.282 2.309 0.381 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.049 4.723 0.522 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.070 2.448 1.863 1.00 0.00 C ATOM 0 H ILE A 53 2.573 5.171 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 53 1.757 2.337 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 53 2.290 3.003 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.613 2.453 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.642 1.300 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.931 4.671 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.873 5.394 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.130 5.100 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.830 1.713 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.822 2.280 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.453 3.451 2.054 1.00 0.00 H new ATOM 782 N SER A 54 -0.564 2.762 -2.595 1.00 0.00 N ATOM 783 CA SER A 54 -1.807 2.997 -3.310 1.00 0.00 C ATOM 784 C SER A 54 -2.837 1.929 -2.934 1.00 0.00 C ATOM 785 O SER A 54 -2.645 0.749 -3.220 1.00 0.00 O ATOM 786 CB SER A 54 -1.580 3.005 -4.823 1.00 0.00 C ATOM 787 OG SER A 54 -0.288 2.514 -5.171 1.00 0.00 O ATOM 0 H SER A 54 -0.390 1.787 -2.351 1.00 0.00 H new ATOM 0 HA SER A 54 -2.187 3.977 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.342 2.395 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.696 4.020 -5.202 1.00 0.00 H new ATOM 0 HG SER A 54 -0.182 2.533 -6.145 1.00 0.00 H new ATOM 793 N TRP A 55 -3.907 2.383 -2.298 1.00 0.00 N ATOM 794 CA TRP A 55 -4.967 1.482 -1.880 1.00 0.00 C ATOM 795 C TRP A 55 -6.129 1.630 -2.865 1.00 0.00 C ATOM 796 O TRP A 55 -6.395 2.725 -3.357 1.00 0.00 O ATOM 797 CB TRP A 55 -5.375 1.749 -0.430 1.00 0.00 C ATOM 798 CG TRP A 55 -6.034 3.113 -0.210 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.252 3.512 -0.598 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.455 4.247 0.469 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.501 4.816 -0.219 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.374 5.277 0.450 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.198 4.398 1.080 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.133 6.530 1.026 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.973 5.657 1.651 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.887 6.704 1.640 1.00 0.00 C ATOM 0 H TRP A 55 -4.062 3.363 -2.062 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.623 0.448 -1.899 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.064 0.968 -0.107 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.492 1.677 0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.951 2.892 -1.139 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.355 5.344 -0.397 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.464 3.606 1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.869 7.320 0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -3.022 5.826 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.637 7.647 2.103 1.00 0.00 H new ATOM 817 N GLU A 56 -6.791 0.511 -3.122 1.00 0.00 N ATOM 818 CA GLU A 56 -7.919 0.502 -4.039 1.00 0.00 C ATOM 819 C GLU A 56 -8.744 -0.772 -3.853 1.00 0.00 C ATOM 820 O GLU A 56 -8.197 -1.831 -3.548 1.00 0.00 O ATOM 821 CB GLU A 56 -7.448 0.645 -5.488 1.00 0.00 C ATOM 822 CG GLU A 56 -6.696 -0.606 -5.945 1.00 0.00 C ATOM 823 CD GLU A 56 -7.025 -0.941 -7.402 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.417 -0.296 -8.283 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.876 -1.835 -7.601 1.00 0.00 O ATOM 0 H GLU A 56 -6.568 -0.396 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.554 1.358 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.306 0.816 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.800 1.517 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.623 -0.449 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.961 -1.448 -5.306 1.00 0.00 H new ATOM 832 N GLU A 57 -10.047 -0.629 -4.045 1.00 0.00 N ATOM 833 CA GLU A 57 -10.953 -1.755 -3.902 1.00 0.00 C ATOM 834 C GLU A 57 -10.417 -2.968 -4.666 1.00 0.00 C ATOM 835 O GLU A 57 -9.413 -2.868 -5.370 1.00 0.00 O ATOM 836 CB GLU A 57 -12.362 -1.389 -4.374 1.00 0.00 C ATOM 837 CG GLU A 57 -13.279 -1.094 -3.185 1.00 0.00 C ATOM 838 CD GLU A 57 -14.204 -2.279 -2.899 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.669 -3.403 -2.792 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.425 -2.033 -2.794 1.00 0.00 O ATOM 0 H GLU A 57 -10.497 0.251 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.015 -2.014 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.316 -0.518 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.776 -2.207 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.677 -0.876 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.875 -0.205 -3.392 1.00 0.00 H new ATOM 847 N TYR A 58 -11.110 -4.085 -4.502 1.00 0.00 N ATOM 848 CA TYR A 58 -10.716 -5.315 -5.167 1.00 0.00 C ATOM 849 C TYR A 58 -10.525 -5.090 -6.668 1.00 0.00 C ATOM 850 O TYR A 58 -9.428 -5.273 -7.193 1.00 0.00 O ATOM 851 CB TYR A 58 -11.869 -6.298 -4.953 1.00 0.00 C ATOM 852 CG TYR A 58 -11.845 -7.500 -5.899 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.773 -8.370 -5.884 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.895 -7.715 -6.768 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.751 -9.501 -6.774 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.873 -8.847 -7.659 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.802 -9.684 -7.618 1.00 0.00 C ATOM 858 OH TYR A 58 -11.780 -10.752 -8.459 1.00 0.00 O ATOM 0 H TYR A 58 -11.942 -4.164 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.772 -5.683 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.840 -6.657 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.813 -5.768 -5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.951 -8.202 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.734 -7.035 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.919 -10.189 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.689 -9.027 -8.344 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.595 -10.757 -9.003 1.00 0.00 H new ATOM 868 N ASN A 59 -11.611 -4.696 -7.318 1.00 0.00 N ATOM 869 CA ASN A 59 -11.577 -4.443 -8.748 1.00 0.00 C ATOM 870 C ASN A 59 -12.321 -3.141 -9.050 1.00 0.00 C ATOM 871 O ASN A 59 -13.272 -3.131 -9.829 1.00 0.00 O ATOM 872 CB ASN A 59 -12.264 -5.570 -9.523 1.00 0.00 C ATOM 873 CG ASN A 59 -11.505 -5.891 -10.812 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.511 -5.135 -11.770 1.00 0.00 O ATOM 875 ND2 ASN A 59 -10.855 -7.050 -10.783 1.00 0.00 N ATOM 0 H ASN A 59 -12.520 -4.546 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.533 -4.378 -9.054 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.322 -6.462 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.287 -5.281 -9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.319 -7.355 -11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.892 -7.635 -9.948 1.00 0.00 H new ATOM 882 N ARG A 60 -11.858 -2.072 -8.416 1.00 0.00 N ATOM 883 CA ARG A 60 -12.468 -0.767 -8.607 1.00 0.00 C ATOM 884 C ARG A 60 -11.440 0.339 -8.363 1.00 0.00 C ATOM 885 O ARG A 60 -11.354 0.879 -7.261 1.00 0.00 O ATOM 886 CB ARG A 60 -13.654 -0.570 -7.661 1.00 0.00 C ATOM 887 CG ARG A 60 -14.458 -1.863 -7.513 1.00 0.00 C ATOM 888 CD ARG A 60 -15.635 -1.670 -6.555 1.00 0.00 C ATOM 889 NE ARG A 60 -16.815 -2.416 -7.046 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.669 -1.949 -7.968 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.479 -0.736 -8.503 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.713 -2.696 -8.354 1.00 0.00 N ATOM 0 H ARG A 60 -11.068 -2.084 -7.770 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.826 -0.715 -9.635 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.295 -0.247 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.299 0.222 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.827 -2.180 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.810 -2.658 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.364 -2.017 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.875 -0.610 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.989 -3.343 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.685 -0.168 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.129 -0.381 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.858 -3.620 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.363 -2.341 -9.055 1.00 0.00 H new ATOM 906 N THR A 61 -10.686 0.644 -9.408 1.00 0.00 N ATOM 907 CA THR A 61 -9.668 1.677 -9.321 1.00 0.00 C ATOM 908 C THR A 61 -10.299 3.018 -8.943 1.00 0.00 C ATOM 909 O THR A 61 -9.624 3.899 -8.412 1.00 0.00 O ATOM 910 CB THR A 61 -8.916 1.714 -10.653 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.155 0.509 -10.656 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.861 2.820 -10.700 1.00 0.00 C ATOM 0 H THR A 61 -10.760 0.194 -10.320 1.00 0.00 H new ATOM 0 HA THR A 61 -8.949 1.457 -8.531 1.00 0.00 H new ATOM 0 HB THR A 61 -9.627 1.856 -11.467 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.640 0.445 -9.824 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.357 2.802 -11.667 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.342 3.788 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.130 2.660 -9.907 1.00 0.00 H new ATOM 920 N ASN A 62 -11.587 3.132 -9.231 1.00 0.00 N ATOM 921 CA ASN A 62 -12.317 4.351 -8.927 1.00 0.00 C ATOM 922 C ASN A 62 -12.052 4.751 -7.474 1.00 0.00 C ATOM 923 O ASN A 62 -12.181 5.920 -7.115 1.00 0.00 O ATOM 924 CB ASN A 62 -13.824 4.146 -9.094 1.00 0.00 C ATOM 925 CG ASN A 62 -14.267 4.471 -10.522 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.528 4.313 -11.480 1.00 0.00 O ATOM 927 ND2 ASN A 62 -15.511 4.933 -10.611 1.00 0.00 N ATOM 0 H ASN A 62 -12.144 2.400 -9.672 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.980 5.126 -9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.083 3.115 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.361 4.781 -8.389 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.900 5.179 -11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.076 5.041 -9.769 1.00 0.00 H new ATOM 934 N THR A 63 -11.688 3.757 -6.678 1.00 0.00 N ATOM 935 CA THR A 63 -11.404 3.990 -5.272 1.00 0.00 C ATOM 936 C THR A 63 -9.904 3.854 -5.001 1.00 0.00 C ATOM 937 O THR A 63 -9.502 3.380 -3.940 1.00 0.00 O ATOM 938 CB THR A 63 -12.260 3.024 -4.450 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.554 1.788 -4.521 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.605 2.723 -5.114 1.00 0.00 C ATOM 0 H THR A 63 -11.583 2.788 -6.980 1.00 0.00 H new ATOM 0 HA THR A 63 -11.664 5.007 -4.979 1.00 0.00 H new ATOM 0 HB THR A 63 -12.430 3.444 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.484 1.504 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.173 2.033 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.167 3.649 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.435 2.272 -6.092 1.00 0.00 H new ATOM 948 N ARG A 64 -9.118 4.279 -5.979 1.00 0.00 N ATOM 949 CA ARG A 64 -7.672 4.211 -5.860 1.00 0.00 C ATOM 950 C ARG A 64 -7.115 5.554 -5.383 1.00 0.00 C ATOM 951 O ARG A 64 -7.753 6.591 -5.555 1.00 0.00 O ATOM 952 CB ARG A 64 -7.025 3.844 -7.197 1.00 0.00 C ATOM 953 CG ARG A 64 -5.643 3.223 -6.986 1.00 0.00 C ATOM 954 CD ARG A 64 -4.556 4.064 -7.659 1.00 0.00 C ATOM 955 NE ARG A 64 -3.601 3.182 -8.369 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.771 3.598 -9.334 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.772 4.883 -9.712 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.939 2.727 -9.923 1.00 0.00 N ATOM 0 H ARG A 64 -9.456 4.672 -6.858 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.436 3.436 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.664 3.143 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.936 4.735 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.436 3.141 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.629 2.212 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.009 4.764 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.029 4.658 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.574 2.197 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.405 5.546 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.139 5.199 -10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.939 1.748 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.307 3.043 -10.658 1.00 0.00 H new ATOM 972 N VAL A 65 -5.930 5.491 -4.793 1.00 0.00 N ATOM 973 CA VAL A 65 -5.280 6.689 -4.290 1.00 0.00 C ATOM 974 C VAL A 65 -3.769 6.572 -4.503 1.00 0.00 C ATOM 975 O VAL A 65 -3.247 5.472 -4.678 1.00 0.00 O ATOM 976 CB VAL A 65 -5.662 6.916 -2.826 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.962 5.906 -1.914 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.351 8.351 -2.394 1.00 0.00 C ATOM 0 H VAL A 65 -5.403 4.629 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.619 7.567 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.737 6.763 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.251 6.089 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.254 4.895 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.882 6.013 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.632 8.486 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.284 8.543 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.915 9.048 -3.014 1.00 0.00 H new ATOM 988 N THR A 66 -3.110 7.721 -4.481 1.00 0.00 N ATOM 989 CA THR A 66 -1.670 7.762 -4.670 1.00 0.00 C ATOM 990 C THR A 66 -1.012 8.602 -3.573 1.00 0.00 C ATOM 991 O THR A 66 -1.093 9.829 -3.594 1.00 0.00 O ATOM 992 CB THR A 66 -1.392 8.280 -6.082 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.002 7.313 -6.933 1.00 0.00 O ATOM 994 CG2 THR A 66 0.092 8.216 -6.448 1.00 0.00 C ATOM 0 H THR A 66 -3.547 8.631 -4.335 1.00 0.00 H new ATOM 0 HA THR A 66 -1.231 6.768 -4.582 1.00 0.00 H new ATOM 0 HB THR A 66 -1.742 9.309 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.871 7.572 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.234 8.595 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.666 8.824 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.435 7.183 -6.396 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.375 7.908 -2.642 1.00 0.00 N ATOM 1003 CA HIS A 67 0.296 8.575 -1.539 1.00 0.00 C ATOM 1004 C HIS A 67 1.806 8.356 -1.650 1.00 0.00 C ATOM 1005 O HIS A 67 2.257 7.463 -2.367 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.273 8.112 -0.197 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.389 8.983 0.330 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.491 8.668 1.070 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.445 10.347 0.107 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.181 9.781 1.288 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.534 10.823 0.691 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.309 6.890 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 67 0.114 9.648 -1.593 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.641 7.092 -0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.532 8.086 0.538 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.742 7.736 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.723 10.926 -0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.103 9.850 1.846 1.00 0.00 H new ATOM 1019 N TYR A 68 2.547 9.185 -0.930 1.00 0.00 N ATOM 1020 CA TYR A 68 3.997 9.093 -0.938 1.00 0.00 C ATOM 1021 C TYR A 68 4.556 9.117 0.486 1.00 0.00 C ATOM 1022 O TYR A 68 4.076 9.870 1.332 1.00 0.00 O ATOM 1023 CB TYR A 68 4.493 10.330 -1.689 1.00 0.00 C ATOM 1024 CG TYR A 68 4.165 10.324 -3.184 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.868 9.502 -4.041 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.167 11.141 -3.674 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.559 9.497 -5.448 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.858 11.135 -5.081 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.569 10.313 -5.898 1.00 0.00 C ATOM 1030 OH TYR A 68 3.278 10.308 -7.227 1.00 0.00 O ATOM 0 H TYR A 68 2.170 9.924 -0.337 1.00 0.00 H new ATOM 0 HA TYR A 68 4.320 8.163 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.054 11.218 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.573 10.409 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.649 8.863 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.618 11.785 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.102 8.859 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.079 11.769 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 68 2.549 10.939 -7.405 1.00 0.00 H new ATOM 1040 N LEU A 69 5.563 8.285 0.706 1.00 0.00 N ATOM 1041 CA LEU A 69 6.193 8.202 2.012 1.00 0.00 C ATOM 1042 C LEU A 69 7.713 8.228 1.844 1.00 0.00 C ATOM 1043 O LEU A 69 8.227 7.941 0.764 1.00 0.00 O ATOM 1044 CB LEU A 69 5.680 6.979 2.777 1.00 0.00 C ATOM 1045 CG LEU A 69 4.172 6.730 2.710 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.839 5.283 3.080 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.411 7.734 3.578 1.00 0.00 C ATOM 0 H LEU A 69 5.958 7.662 0.001 1.00 0.00 H new ATOM 0 HA LEU A 69 5.925 9.066 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.191 6.095 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.965 7.084 3.824 1.00 0.00 H new ATOM 0 HG LEU A 69 3.846 6.883 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.761 5.132 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.336 4.606 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.182 5.079 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.341 7.535 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.735 7.638 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.614 8.746 3.227 1.00 0.00 H new ATOM 1059 N PRO A 70 8.409 8.586 2.957 1.00 0.00 N ATOM 1060 CA PRO A 70 9.860 8.654 2.942 1.00 0.00 C ATOM 1061 C PRO A 70 10.475 7.253 2.966 1.00 0.00 C ATOM 1062 O PRO A 70 9.757 6.257 3.030 1.00 0.00 O ATOM 1063 CB PRO A 70 10.227 9.484 4.162 1.00 0.00 C ATOM 1064 CG PRO A 70 9.006 9.458 5.067 1.00 0.00 C ATOM 1065 CD PRO A 70 7.834 8.933 4.253 1.00 0.00 C ATOM 0 HA PRO A 70 10.250 9.111 2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.098 9.069 4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.481 10.505 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.186 8.820 5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.790 10.457 5.446 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.378 8.065 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.053 9.687 4.151 1.00 0.00 H new ATOM 1073 N ASN A 71 11.799 7.222 2.911 1.00 0.00 N ATOM 1074 CA ASN A 71 12.518 5.960 2.925 1.00 0.00 C ATOM 1075 C ASN A 71 12.779 5.542 4.374 1.00 0.00 C ATOM 1076 O ASN A 71 13.713 4.791 4.648 1.00 0.00 O ATOM 1077 CB ASN A 71 13.870 6.088 2.220 1.00 0.00 C ATOM 1078 CG ASN A 71 14.729 7.172 2.874 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.250 8.217 3.283 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.021 6.867 2.948 1.00 0.00 N ATOM 0 H ASN A 71 12.392 8.050 2.857 1.00 0.00 H new ATOM 0 HA ASN A 71 11.909 5.220 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.394 5.133 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.714 6.328 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.677 7.526 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.356 5.974 2.586 1.00 0.00 H new ATOM 1087 N VAL A 72 11.937 6.048 5.263 1.00 0.00 N ATOM 1088 CA VAL A 72 12.065 5.737 6.676 1.00 0.00 C ATOM 1089 C VAL A 72 10.801 5.019 7.152 1.00 0.00 C ATOM 1090 O VAL A 72 10.856 4.196 8.065 1.00 0.00 O ATOM 1091 CB VAL A 72 12.362 7.013 7.468 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.661 7.664 6.990 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.192 7.995 7.383 1.00 0.00 C ATOM 0 H VAL A 72 11.163 6.671 5.032 1.00 0.00 H new ATOM 0 HA VAL A 72 12.905 5.063 6.844 1.00 0.00 H new ATOM 0 HB VAL A 72 12.491 6.736 8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.849 8.568 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.488 6.968 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.572 7.921 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.428 8.893 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.017 8.263 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.296 7.530 7.793 1.00 0.00 H new ATOM 1103 N THR A 73 9.690 5.357 6.513 1.00 0.00 N ATOM 1104 CA THR A 73 8.414 4.755 6.860 1.00 0.00 C ATOM 1105 C THR A 73 8.117 3.569 5.940 1.00 0.00 C ATOM 1106 O THR A 73 8.466 3.590 4.761 1.00 0.00 O ATOM 1107 CB THR A 73 7.345 5.848 6.807 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.530 6.573 8.020 1.00 0.00 O ATOM 1109 CG2 THR A 73 5.927 5.286 6.921 1.00 0.00 C ATOM 0 H THR A 73 9.648 6.040 5.757 1.00 0.00 H new ATOM 0 HA THR A 73 8.431 4.346 7.870 1.00 0.00 H new ATOM 0 HB THR A 73 7.441 6.405 5.875 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.878 7.303 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.207 6.103 6.878 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.742 4.596 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.820 4.758 7.869 1.00 0.00 H new ATOM 1117 N LEU A 74 7.474 2.563 6.514 1.00 0.00 N ATOM 1118 CA LEU A 74 7.125 1.370 5.760 1.00 0.00 C ATOM 1119 C LEU A 74 5.697 0.949 6.112 1.00 0.00 C ATOM 1120 O LEU A 74 5.268 -0.151 5.769 1.00 0.00 O ATOM 1121 CB LEU A 74 8.164 0.270 5.987 1.00 0.00 C ATOM 1122 CG LEU A 74 9.608 0.739 6.172 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.313 -0.072 7.261 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.371 0.704 4.846 1.00 0.00 C ATOM 0 H LEU A 74 7.185 2.549 7.492 1.00 0.00 H new ATOM 0 HA LEU A 74 7.142 1.577 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.873 -0.301 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.131 -0.414 5.139 1.00 0.00 H new ATOM 0 HG LEU A 74 9.590 1.777 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.338 0.282 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.783 0.049 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.321 -1.126 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.395 1.042 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.382 -0.315 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.881 1.360 4.127 1.00 0.00 H new ATOM 1136 N GLU A 75 5.000 1.848 6.792 1.00 0.00 N ATOM 1137 CA GLU A 75 3.629 1.583 7.194 1.00 0.00 C ATOM 1138 C GLU A 75 2.802 2.870 7.141 1.00 0.00 C ATOM 1139 O GLU A 75 3.323 3.957 7.390 1.00 0.00 O ATOM 1140 CB GLU A 75 3.577 0.956 8.589 1.00 0.00 C ATOM 1141 CG GLU A 75 4.038 1.952 9.655 1.00 0.00 C ATOM 1142 CD GLU A 75 5.434 1.596 10.171 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.543 0.538 10.828 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.359 2.391 9.897 1.00 0.00 O ATOM 0 H GLU A 75 5.359 2.760 7.074 1.00 0.00 H new ATOM 0 HA GLU A 75 3.198 0.867 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.560 0.629 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.210 0.069 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.047 2.959 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.330 1.957 10.484 1.00 0.00 H new ATOM 1151 N TYR A 76 1.529 2.705 6.815 1.00 0.00 N ATOM 1152 CA TYR A 76 0.626 3.839 6.727 1.00 0.00 C ATOM 1153 C TYR A 76 -0.823 3.406 6.959 1.00 0.00 C ATOM 1154 O TYR A 76 -1.206 2.292 6.605 1.00 0.00 O ATOM 1155 CB TYR A 76 0.763 4.377 5.301 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.141 5.573 4.997 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.453 5.368 4.619 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.354 6.857 5.102 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.304 6.494 4.333 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.497 7.983 4.816 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.784 7.746 4.445 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.587 8.809 4.175 1.00 0.00 O ATOM 0 H TYR A 76 1.101 1.802 6.608 1.00 0.00 H new ATOM 0 HA TYR A 76 0.873 4.586 7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.800 4.666 5.131 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.536 3.575 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.841 4.363 4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.380 7.017 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.332 6.348 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.122 8.993 4.894 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.082 9.640 4.297 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.590 4.310 7.552 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.988 4.035 7.835 1.00 0.00 C ATOM 1174 C ARG A 77 -3.863 4.460 6.654 1.00 0.00 C ATOM 1175 O ARG A 77 -3.780 5.598 6.193 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.450 4.772 9.094 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.971 4.702 9.243 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.387 4.872 10.705 1.00 0.00 C ATOM 1179 NE ARG A 77 -5.953 6.223 10.917 1.00 0.00 N ATOM 1180 CZ ARG A 77 -6.283 6.720 12.117 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -6.106 5.980 13.220 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -6.790 7.956 12.214 1.00 0.00 N ATOM 0 H ARG A 77 -1.269 5.233 7.844 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.088 2.962 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.974 4.334 9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.133 5.814 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.436 5.479 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.333 3.745 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.123 4.114 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.526 4.723 11.356 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.101 6.813 10.098 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.720 5.039 13.146 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.357 6.358 14.133 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.925 8.519 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.041 8.334 13.127 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.680 3.523 6.196 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.569 3.786 5.077 1.00 0.00 C ATOM 1198 C VAL A 78 -6.956 4.153 5.609 1.00 0.00 C ATOM 1199 O VAL A 78 -7.385 3.640 6.641 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.589 2.584 4.132 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.576 2.806 2.984 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.188 2.281 3.599 1.00 0.00 C ATOM 0 H VAL A 78 -4.745 2.580 6.580 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.210 4.634 4.494 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.925 1.717 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.571 1.937 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.578 2.949 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.283 3.690 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.231 1.422 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.811 3.147 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.522 2.058 4.433 1.00 0.00 H new ATOM 1212 N THR A 79 -7.619 5.038 4.879 1.00 0.00 N ATOM 1213 CA THR A 79 -8.949 5.479 5.264 1.00 0.00 C ATOM 1214 C THR A 79 -9.799 5.755 4.022 1.00 0.00 C ATOM 1215 O THR A 79 -9.270 6.107 2.969 1.00 0.00 O ATOM 1216 CB THR A 79 -8.797 6.695 6.179 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.094 7.644 5.382 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.857 6.428 7.357 1.00 0.00 C ATOM 0 H THR A 79 -7.260 5.461 4.023 1.00 0.00 H new ATOM 0 HA THR A 79 -9.479 4.703 5.816 1.00 0.00 H new ATOM 0 HB THR A 79 -9.776 6.990 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.954 8.465 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.784 7.323 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.248 5.605 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.868 6.165 6.981 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.103 5.586 4.187 1.00 0.00 N ATOM 1227 CA GLY A 80 -12.032 5.813 3.093 1.00 0.00 C ATOM 1228 C GLY A 80 -12.366 4.502 2.378 1.00 0.00 C ATOM 1229 O GLY A 80 -12.684 4.504 1.189 1.00 0.00 O ATOM 0 H GLY A 80 -11.538 5.294 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.947 6.266 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.599 6.518 2.384 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.284 3.416 3.131 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.574 2.102 2.584 1.00 0.00 C ATOM 1235 C LEU A 81 -14.046 1.765 2.829 1.00 0.00 C ATOM 1236 O LEU A 81 -14.896 2.655 2.843 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.604 1.061 3.146 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.136 1.486 3.226 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.379 0.653 4.262 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.473 1.428 1.848 1.00 0.00 C ATOM 0 H LEU A 81 -12.021 3.419 4.116 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.421 2.097 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.937 0.786 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.669 0.164 2.531 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.098 2.523 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.338 0.976 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.836 0.789 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.423 -0.400 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.430 1.735 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.521 0.409 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.994 2.099 1.165 1.00 0.00 H new ATOM 1252 N THR A 82 -14.303 0.479 3.017 1.00 0.00 N ATOM 1253 CA THR A 82 -15.658 0.014 3.261 1.00 0.00 C ATOM 1254 C THR A 82 -15.641 -1.248 4.124 1.00 0.00 C ATOM 1255 O THR A 82 -14.706 -2.044 4.049 1.00 0.00 O ATOM 1256 CB THR A 82 -16.341 -0.185 1.906 1.00 0.00 C ATOM 1257 OG1 THR A 82 -16.298 1.105 1.303 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.835 -0.483 2.042 1.00 0.00 C ATOM 0 H THR A 82 -13.596 -0.256 3.005 1.00 0.00 H new ATOM 0 HA THR A 82 -16.233 0.748 3.826 1.00 0.00 H new ATOM 0 HB THR A 82 -15.855 -1.001 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 82 -16.131 1.782 1.991 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.271 -0.616 1.052 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.973 -1.394 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.327 0.348 2.547 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.687 -1.393 4.925 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.804 -2.546 5.802 1.00 0.00 C ATOM 1268 C ALA A 83 -16.830 -3.822 4.958 1.00 0.00 C ATOM 1269 O ALA A 83 -17.490 -3.873 3.922 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.052 -2.399 6.674 1.00 0.00 C ATOM 0 H ALA A 83 -17.461 -0.731 4.985 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.945 -2.609 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.140 -3.264 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.972 -1.493 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.935 -2.336 6.038 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.103 -4.823 5.434 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.034 -6.096 4.737 1.00 0.00 C ATOM 1278 C LEU A 84 -16.005 -5.845 3.228 1.00 0.00 C ATOM 1279 O LEU A 84 -16.892 -6.293 2.504 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.171 -7.015 5.186 1.00 0.00 C ATOM 1281 CG LEU A 84 -17.266 -7.280 6.690 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -18.485 -8.144 7.019 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -15.969 -7.893 7.222 1.00 0.00 C ATOM 0 H LEU A 84 -15.557 -4.778 6.294 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.113 -6.620 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.114 -6.582 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.062 -7.972 4.675 1.00 0.00 H new ATOM 0 HG LEU A 84 -17.402 -6.325 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -18.529 -8.317 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.392 -7.632 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -18.404 -9.099 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.063 -8.071 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.777 -8.837 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.141 -7.208 7.040 1.00 0.00 H new ATOM 1295 N THR A 85 -14.975 -5.129 2.799 1.00 0.00 N ATOM 1296 CA THR A 85 -14.819 -4.813 1.390 1.00 0.00 C ATOM 1297 C THR A 85 -13.413 -5.183 0.913 1.00 0.00 C ATOM 1298 O THR A 85 -12.425 -4.635 1.398 1.00 0.00 O ATOM 1299 CB THR A 85 -15.156 -3.334 1.197 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.580 -3.296 1.221 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.794 -2.828 -0.202 1.00 0.00 C ATOM 0 H THR A 85 -14.241 -4.759 3.403 1.00 0.00 H new ATOM 0 HA THR A 85 -15.502 -5.400 0.775 1.00 0.00 H new ATOM 0 HB THR A 85 -14.629 -2.742 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.897 -3.475 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.054 -1.773 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.724 -2.953 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.346 -3.398 -0.949 1.00 0.00 H new ATOM 1309 N THR A 86 -13.368 -6.111 -0.032 1.00 0.00 N ATOM 1310 CA THR A 86 -12.100 -6.561 -0.579 1.00 0.00 C ATOM 1311 C THR A 86 -11.339 -5.386 -1.196 1.00 0.00 C ATOM 1312 O THR A 86 -11.807 -4.773 -2.154 1.00 0.00 O ATOM 1313 CB THR A 86 -12.387 -7.688 -1.573 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.059 -8.675 -0.795 1.00 0.00 O ATOM 1315 CG2 THR A 86 -11.113 -8.390 -2.047 1.00 0.00 C ATOM 0 H THR A 86 -14.190 -6.563 -0.433 1.00 0.00 H new ATOM 0 HA THR A 86 -11.450 -6.955 0.202 1.00 0.00 H new ATOM 0 HB THR A 86 -12.920 -7.285 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.284 -9.442 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.374 -9.181 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.461 -7.668 -2.538 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.596 -8.822 -1.191 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.178 -5.108 -0.622 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.347 -4.017 -1.103 1.00 0.00 C ATOM 1325 C TYR A 87 -7.936 -4.507 -1.433 1.00 0.00 C ATOM 1326 O TYR A 87 -7.509 -5.554 -0.947 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.269 -3.008 0.044 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.238 -1.832 -0.094 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -9.931 -0.781 -0.934 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.418 -1.822 0.621 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -10.843 0.326 -1.065 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.330 -0.715 0.491 1.00 0.00 C ATOM 1333 CZ TYR A 87 -11.997 0.304 -0.346 1.00 0.00 C ATOM 1334 OH TYR A 87 -12.858 1.350 -0.469 1.00 0.00 O ATOM 0 H TYR A 87 -9.793 -5.619 0.172 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.768 -3.585 -2.011 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.472 -3.524 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.252 -2.622 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.007 -0.789 -1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.658 -2.645 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.616 1.155 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.257 -0.694 1.045 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.730 1.101 -0.099 1.00 0.00 H new ATOM 1344 N THR A 88 -7.250 -3.727 -2.256 1.00 0.00 N ATOM 1345 CA THR A 88 -5.896 -4.069 -2.656 1.00 0.00 C ATOM 1346 C THR A 88 -4.947 -2.901 -2.378 1.00 0.00 C ATOM 1347 O THR A 88 -5.087 -1.829 -2.965 1.00 0.00 O ATOM 1348 CB THR A 88 -5.928 -4.488 -4.126 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.076 -5.905 -4.080 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.584 -4.276 -4.826 1.00 0.00 C ATOM 0 H THR A 88 -7.607 -2.859 -2.656 1.00 0.00 H new ATOM 0 HA THR A 88 -5.511 -4.906 -2.073 1.00 0.00 H new ATOM 0 HB THR A 88 -6.701 -3.923 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.108 -6.260 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.662 -4.590 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.315 -3.221 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.816 -4.867 -4.326 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.002 -3.148 -1.482 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.031 -2.130 -1.119 1.00 0.00 C ATOM 1360 C ILE A 89 -1.710 -2.412 -1.838 1.00 0.00 C ATOM 1361 O ILE A 89 -1.081 -3.443 -1.604 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.896 -2.036 0.402 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.263 -2.142 1.081 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.151 -0.763 0.809 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.293 -1.253 0.382 1.00 0.00 C ATOM 0 H ILE A 89 -3.888 -4.038 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.369 -1.147 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.299 -2.881 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.601 -3.178 1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.177 -1.851 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.069 -0.721 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.153 -0.769 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.699 0.109 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.256 -1.347 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.963 -0.215 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.395 -1.563 -0.658 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.329 -1.479 -2.697 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.094 -1.615 -3.451 1.00 0.00 C ATOM 1379 C GLU A 90 0.999 -0.734 -2.843 1.00 0.00 C ATOM 1380 O GLU A 90 0.858 0.487 -2.787 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.313 -1.277 -4.927 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.553 -1.987 -5.474 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.535 -0.984 -6.084 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -3.237 -0.323 -5.289 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -2.560 -0.901 -7.331 1.00 0.00 O ATOM 0 H GLU A 90 -1.854 -0.625 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 90 0.231 -2.654 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.425 -0.199 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.563 -1.571 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.256 -2.716 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.043 -2.540 -4.673 1.00 0.00 H new ATOM 1392 N VAL A 91 2.064 -1.387 -2.402 1.00 0.00 N ATOM 1393 CA VAL A 91 3.180 -0.678 -1.800 1.00 0.00 C ATOM 1394 C VAL A 91 4.390 -0.753 -2.735 1.00 0.00 C ATOM 1395 O VAL A 91 4.911 -1.836 -2.995 1.00 0.00 O ATOM 1396 CB VAL A 91 3.466 -1.239 -0.406 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.736 -0.622 0.184 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.271 -1.030 0.525 1.00 0.00 C ATOM 0 H VAL A 91 2.178 -2.400 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 91 2.936 0.376 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 91 3.630 -2.312 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.916 -1.038 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.584 -0.846 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.614 0.458 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.501 -1.438 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.061 0.036 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.398 -1.539 0.116 1.00 0.00 H new ATOM 1408 N ALA A 92 4.801 0.413 -3.213 1.00 0.00 N ATOM 1409 CA ALA A 92 5.939 0.493 -4.112 1.00 0.00 C ATOM 1410 C ALA A 92 7.090 1.214 -3.408 1.00 0.00 C ATOM 1411 O ALA A 92 6.889 1.849 -2.374 1.00 0.00 O ATOM 1412 CB ALA A 92 5.518 1.191 -5.407 1.00 0.00 C ATOM 0 H ALA A 92 4.366 1.309 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 92 6.289 -0.504 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.372 1.251 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.718 0.623 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.163 2.196 -5.180 1.00 0.00 H new ATOM 1418 N ALA A 93 8.271 1.091 -3.997 1.00 0.00 N ATOM 1419 CA ALA A 93 9.454 1.723 -3.439 1.00 0.00 C ATOM 1420 C ALA A 93 10.044 2.690 -4.468 1.00 0.00 C ATOM 1421 O ALA A 93 10.153 2.357 -5.647 1.00 0.00 O ATOM 1422 CB ALA A 93 10.454 0.647 -3.010 1.00 0.00 C ATOM 0 H ALA A 93 8.433 0.563 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 93 9.197 2.302 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.342 1.121 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.997 0.005 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.737 0.048 -3.875 1.00 0.00 H new ATOM 1428 N MET A 94 10.408 3.869 -3.984 1.00 0.00 N ATOM 1429 CA MET A 94 10.984 4.886 -4.847 1.00 0.00 C ATOM 1430 C MET A 94 12.462 5.110 -4.521 1.00 0.00 C ATOM 1431 O MET A 94 12.845 5.141 -3.352 1.00 0.00 O ATOM 1432 CB MET A 94 10.218 6.198 -4.671 1.00 0.00 C ATOM 1433 CG MET A 94 8.724 6.001 -4.939 1.00 0.00 C ATOM 1434 SD MET A 94 7.850 7.537 -4.683 1.00 0.00 S ATOM 1435 CE MET A 94 8.084 7.736 -2.925 1.00 0.00 C ATOM 0 H MET A 94 10.315 4.142 -3.006 1.00 0.00 H new ATOM 0 HA MET A 94 10.907 4.545 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.363 6.575 -3.659 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.617 6.950 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.572 5.653 -5.961 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.326 5.232 -4.277 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.333 8.422 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 94 7.984 6.769 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 94 9.079 8.139 -2.734 1.00 0.00 H new ATOM 1445 N THR A 95 13.251 5.260 -5.574 1.00 0.00 N ATOM 1446 CA THR A 95 14.679 5.480 -5.414 1.00 0.00 C ATOM 1447 C THR A 95 15.086 6.814 -6.042 1.00 0.00 C ATOM 1448 O THR A 95 14.232 7.632 -6.380 1.00 0.00 O ATOM 1449 CB THR A 95 15.412 4.278 -6.011 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.684 3.982 -7.200 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.262 3.017 -5.158 1.00 0.00 C ATOM 0 H THR A 95 12.929 5.234 -6.542 1.00 0.00 H new ATOM 0 HA THR A 95 14.953 5.555 -4.362 1.00 0.00 H new ATOM 0 HB THR A 95 16.470 4.517 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.245 3.452 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.801 2.194 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.671 3.199 -4.164 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.207 2.758 -5.074 1.00 0.00 H new ATOM 1459 N SER A 96 16.392 6.993 -6.179 1.00 0.00 N ATOM 1460 CA SER A 96 16.924 8.214 -6.761 1.00 0.00 C ATOM 1461 C SER A 96 16.725 8.200 -8.278 1.00 0.00 C ATOM 1462 O SER A 96 17.072 9.162 -8.961 1.00 0.00 O ATOM 1463 CB SER A 96 18.405 8.386 -6.421 1.00 0.00 C ATOM 1464 OG SER A 96 18.624 8.471 -5.015 1.00 0.00 O ATOM 0 H SER A 96 17.098 6.313 -5.897 1.00 0.00 H new ATOM 0 HA SER A 96 16.382 9.060 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.970 7.546 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.785 9.287 -6.902 1.00 0.00 H new ATOM 0 HG SER A 96 19.582 8.579 -4.839 1.00 0.00 H new ATOM 1470 N LYS A 97 16.168 7.099 -8.760 1.00 0.00 N ATOM 1471 CA LYS A 97 15.919 6.948 -10.183 1.00 0.00 C ATOM 1472 C LYS A 97 14.415 7.043 -10.447 1.00 0.00 C ATOM 1473 O LYS A 97 13.990 7.670 -11.416 1.00 0.00 O ATOM 1474 CB LYS A 97 16.554 5.657 -10.704 1.00 0.00 C ATOM 1475 CG LYS A 97 15.512 4.772 -11.391 1.00 0.00 C ATOM 1476 CD LYS A 97 15.186 5.295 -12.791 1.00 0.00 C ATOM 1477 CE LYS A 97 13.681 5.239 -13.060 1.00 0.00 C ATOM 1478 NZ LYS A 97 13.321 6.133 -14.184 1.00 0.00 N ATOM 0 H LYS A 97 15.882 6.303 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 97 16.392 7.757 -10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.352 5.898 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.011 5.113 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.885 3.750 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.603 4.740 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.539 6.321 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.715 4.702 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.385 4.216 -13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.134 5.533 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.296 6.083 -14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.585 7.111 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.828 5.834 -15.041 1.00 0.00 H new ATOM 1492 N GLY A 98 13.651 6.412 -9.567 1.00 0.00 N ATOM 1493 CA GLY A 98 12.204 6.418 -9.693 1.00 0.00 C ATOM 1494 C GLY A 98 11.575 5.318 -8.836 1.00 0.00 C ATOM 1495 O GLY A 98 12.106 4.965 -7.784 1.00 0.00 O ATOM 0 H GLY A 98 14.007 5.893 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.813 7.389 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.926 6.275 -10.737 1.00 0.00 H new ATOM 1499 N GLN A 99 10.451 4.806 -9.317 1.00 0.00 N ATOM 1500 CA GLN A 99 9.744 3.753 -8.608 1.00 0.00 C ATOM 1501 C GLN A 99 9.961 2.407 -9.303 1.00 0.00 C ATOM 1502 O GLN A 99 10.170 2.356 -10.514 1.00 0.00 O ATOM 1503 CB GLN A 99 8.253 4.076 -8.492 1.00 0.00 C ATOM 1504 CG GLN A 99 7.519 2.996 -7.695 1.00 0.00 C ATOM 1505 CD GLN A 99 6.005 3.216 -7.740 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.453 4.054 -7.046 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.368 2.418 -8.592 1.00 0.00 N ATOM 0 H GLN A 99 10.013 5.101 -10.189 1.00 0.00 H new ATOM 0 HA GLN A 99 10.148 3.687 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.123 5.043 -8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.816 4.158 -9.487 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.760 2.013 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.861 3.007 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.892 1.738 -9.143 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.355 2.486 -8.695 1.00 0.00 H new ATOM 1516 N GLY A 100 9.904 1.350 -8.506 1.00 0.00 N ATOM 1517 CA GLY A 100 10.092 0.008 -9.030 1.00 0.00 C ATOM 1518 C GLY A 100 8.825 -0.831 -8.854 1.00 0.00 C ATOM 1519 O GLY A 100 7.717 -0.296 -8.857 1.00 0.00 O ATOM 0 H GLY A 100 9.730 1.396 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.355 0.060 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.925 -0.473 -8.518 1.00 0.00 H new ATOM 1523 N GLN A 101 9.030 -2.132 -8.706 1.00 0.00 N ATOM 1524 CA GLN A 101 7.918 -3.050 -8.530 1.00 0.00 C ATOM 1525 C GLN A 101 6.970 -2.534 -7.445 1.00 0.00 C ATOM 1526 O GLN A 101 7.240 -1.512 -6.815 1.00 0.00 O ATOM 1527 CB GLN A 101 8.416 -4.458 -8.199 1.00 0.00 C ATOM 1528 CG GLN A 101 7.699 -5.507 -9.051 1.00 0.00 C ATOM 1529 CD GLN A 101 8.695 -6.508 -9.641 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.768 -6.156 -10.103 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.280 -7.771 -9.601 1.00 0.00 N ATOM 0 H GLN A 101 9.950 -2.572 -8.704 1.00 0.00 H new ATOM 0 HA GLN A 101 7.367 -3.107 -9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.491 -4.517 -8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.250 -4.667 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.965 -6.035 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.152 -5.015 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.370 -7.996 -9.200 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.872 -8.514 -9.971 1.00 0.00 H new ATOM 1540 N VAL A 102 5.881 -3.264 -7.259 1.00 0.00 N ATOM 1541 CA VAL A 102 4.892 -2.894 -6.261 1.00 0.00 C ATOM 1542 C VAL A 102 4.273 -4.160 -5.668 1.00 0.00 C ATOM 1543 O VAL A 102 3.978 -5.110 -6.392 1.00 0.00 O ATOM 1544 CB VAL A 102 3.855 -1.952 -6.876 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.654 -2.735 -7.411 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.412 -0.890 -5.868 1.00 0.00 C ATOM 0 H VAL A 102 5.661 -4.111 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 102 5.361 -2.349 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 102 4.324 -1.440 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.931 -2.043 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.988 -3.435 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.186 -3.286 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.675 -0.234 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.970 -1.376 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.275 -0.302 -5.555 1.00 0.00 H new ATOM 1556 N SER A 103 4.094 -4.135 -4.355 1.00 0.00 N ATOM 1557 CA SER A 103 3.515 -5.269 -3.656 1.00 0.00 C ATOM 1558 C SER A 103 2.042 -4.996 -3.345 1.00 0.00 C ATOM 1559 O SER A 103 1.727 -4.251 -2.418 1.00 0.00 O ATOM 1560 CB SER A 103 4.282 -5.573 -2.368 1.00 0.00 C ATOM 1561 OG SER A 103 5.374 -6.460 -2.593 1.00 0.00 O ATOM 0 H SER A 103 4.340 -3.346 -3.757 1.00 0.00 H new ATOM 0 HA SER A 103 3.587 -6.143 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.654 -4.642 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.603 -6.012 -1.637 1.00 0.00 H new ATOM 0 HG SER A 103 5.839 -6.628 -1.747 1.00 0.00 H new ATOM 1567 N ALA A 104 1.178 -5.613 -4.138 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.254 -5.446 -3.959 1.00 0.00 C ATOM 1569 C ALA A 104 -0.821 -6.675 -3.244 1.00 0.00 C ATOM 1570 O ALA A 104 -0.756 -7.786 -3.767 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.914 -5.205 -5.318 1.00 0.00 C ATOM 0 H ALA A 104 1.443 -6.230 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.464 -4.576 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.988 -5.080 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.497 -4.305 -5.770 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.727 -6.058 -5.970 1.00 0.00 H new ATOM 1577 N SER A 105 -1.365 -6.433 -2.061 1.00 0.00 N ATOM 1578 CA SER A 105 -1.944 -7.506 -1.270 1.00 0.00 C ATOM 1579 C SER A 105 -3.444 -7.268 -1.082 1.00 0.00 C ATOM 1580 O SER A 105 -3.860 -6.171 -0.714 1.00 0.00 O ATOM 1581 CB SER A 105 -1.251 -7.623 0.089 1.00 0.00 C ATOM 1582 OG SER A 105 -0.427 -8.782 0.170 1.00 0.00 O ATOM 0 H SER A 105 -1.417 -5.510 -1.631 1.00 0.00 H new ATOM 0 HA SER A 105 -1.796 -8.444 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.645 -6.734 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.003 -7.657 0.878 1.00 0.00 H new ATOM 0 HG SER A 105 -0.129 -8.907 1.095 1.00 0.00 H new ATOM 1588 N THR A 106 -4.213 -8.314 -1.345 1.00 0.00 N ATOM 1589 CA THR A 106 -5.658 -8.232 -1.210 1.00 0.00 C ATOM 1590 C THR A 106 -6.060 -8.303 0.264 1.00 0.00 C ATOM 1591 O THR A 106 -5.641 -9.208 0.984 1.00 0.00 O ATOM 1592 CB THR A 106 -6.276 -9.343 -2.062 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.314 -9.568 -3.089 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.523 -8.877 -2.816 1.00 0.00 C ATOM 0 H THR A 106 -3.864 -9.222 -1.651 1.00 0.00 H new ATOM 0 HA THR A 106 -6.036 -7.276 -1.572 1.00 0.00 H new ATOM 0 HB THR A 106 -6.532 -10.190 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.633 -10.276 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.922 -9.703 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.276 -8.543 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.260 -8.052 -3.479 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.869 -7.335 0.671 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.333 -7.276 2.046 1.00 0.00 C ATOM 1604 C ILE A 107 -8.736 -6.667 2.081 1.00 0.00 C ATOM 1605 O ILE A 107 -8.967 -5.597 1.520 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.320 -6.536 2.922 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.768 -6.521 4.385 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.059 -5.126 2.388 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.714 -7.925 4.990 1.00 0.00 C ATOM 0 H ILE A 107 -7.215 -6.585 0.072 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.410 -8.279 2.465 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.374 -7.076 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.128 -5.850 4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.783 -6.130 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.336 -4.622 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.664 -5.188 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.991 -4.562 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.037 -7.886 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.373 -8.588 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.693 -8.303 4.942 1.00 0.00 H new ATOM 1621 N SER A 108 -9.638 -7.375 2.746 1.00 0.00 N ATOM 1622 CA SER A 108 -11.012 -6.918 2.862 1.00 0.00 C ATOM 1623 C SER A 108 -11.217 -6.211 4.203 1.00 0.00 C ATOM 1624 O SER A 108 -11.540 -6.850 5.203 1.00 0.00 O ATOM 1625 CB SER A 108 -11.994 -8.083 2.720 1.00 0.00 C ATOM 1626 OG SER A 108 -13.298 -7.740 3.179 1.00 0.00 O ATOM 0 H SER A 108 -9.443 -8.262 3.210 1.00 0.00 H new ATOM 0 HA SER A 108 -11.207 -6.213 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.046 -8.388 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.625 -8.939 3.284 1.00 0.00 H new ATOM 0 HG SER A 108 -13.896 -8.509 3.070 1.00 0.00 H new ATOM 1632 N SER A 109 -11.022 -4.900 4.180 1.00 0.00 N ATOM 1633 CA SER A 109 -11.182 -4.099 5.382 1.00 0.00 C ATOM 1634 C SER A 109 -11.089 -4.991 6.621 1.00 0.00 C ATOM 1635 O SER A 109 -10.168 -5.797 6.743 1.00 0.00 O ATOM 1636 CB SER A 109 -12.514 -3.346 5.369 1.00 0.00 C ATOM 1637 OG SER A 109 -13.629 -4.231 5.440 1.00 0.00 O ATOM 0 H SER A 109 -10.755 -4.373 3.348 1.00 0.00 H new ATOM 0 HA SER A 109 -10.379 -3.362 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.547 -2.653 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.583 -2.748 4.460 1.00 0.00 H new ATOM 0 HG SER A 109 -13.344 -5.136 5.196 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.056 -4.817 7.511 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.095 -5.596 8.737 1.00 0.00 C ATOM 1645 C GLY A 110 -13.536 -5.919 9.136 1.00 0.00 C ATOM 1646 O GLY A 110 -14.063 -6.970 8.776 1.00 0.00 O ATOM 0 H GLY A 110 -12.819 -4.148 7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.535 -6.521 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.607 -5.043 9.539 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.132 -4.995 9.875 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.502 -5.168 10.327 1.00 0.00 C ATOM 1652 C VAL A 111 -15.926 -3.941 11.138 1.00 0.00 C ATOM 1653 O VAL A 111 -15.136 -3.401 11.911 1.00 0.00 O ATOM 1654 CB VAL A 111 -15.634 -6.476 11.109 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -14.768 -6.451 12.370 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -17.097 -6.764 11.454 1.00 0.00 C ATOM 0 H VAL A 111 -13.691 -4.124 10.172 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.178 -5.244 9.475 1.00 0.00 H new ATOM 0 HB VAL A 111 -15.275 -7.284 10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.880 -7.393 12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.723 -6.315 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.083 -5.628 13.011 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -17.162 -7.699 12.010 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -17.494 -5.952 12.063 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -17.678 -6.846 10.535 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.204 -3.527 10.929 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.742 -2.375 11.631 1.00 0.00 C ATOM 1668 C PRO A 112 -18.055 -2.718 13.089 1.00 0.00 C ATOM 1669 O PRO A 112 -18.748 -3.696 13.365 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.974 -1.971 10.838 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.345 -3.182 9.998 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.168 -4.143 10.021 1.00 0.00 C ATOM 0 HA PRO A 112 -17.033 -1.549 11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.792 -1.691 11.502 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.766 -1.107 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.239 -3.663 10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.573 -2.882 8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.469 -5.130 10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.745 -4.275 9.025 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.516 -1.873 14.007 1.00 0.00 N ATOM 1681 CA PRO A 113 -17.731 -2.077 15.430 1.00 0.00 C ATOM 1682 C PRO A 113 -19.149 -1.668 15.834 1.00 0.00 C ATOM 1683 O PRO A 113 -19.637 -2.070 16.889 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.655 -1.248 16.113 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.175 -0.249 15.073 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.690 -0.704 13.717 1.00 0.00 C ATOM 0 HA PRO A 113 -17.653 -3.124 15.722 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.053 -0.738 16.990 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.835 -1.879 16.456 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.543 0.750 15.305 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.086 -0.195 15.069 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.270 0.080 13.230 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.869 -0.956 13.046 1.00 0.00 H new