USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 510 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 38 GLN : amide:sc= -13.6! C(o=-14!,f=-16!) USER MOD Set 1.2: A 59 GLN :FLIP amide:sc=-0.00776 F(o=-15,f=-14) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00864 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 58:sc= -2.82! USER MOD Single : A 29 ASN :FLIP amide:sc= -2.04 F(o=-7.4!,f=-2) USER MOD Single : A 34 ASN :FLIP amide:sc= -4.27! C(o=-5.7!,f=-4.3!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.939 F(o=-2.1!,f=-0.94) USER MOD Single : A 40 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.0098) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.445 F(o=-3.1!,f=-0.45) USER MOD Single : A 48 TYR OH : rot 30:sc= -1.03 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.253) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 70:sc= 0.993 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -3.28! C(o=-3.3!,f=-4.9!) USER MOD Single : A 56 ASN : amide:sc= -5.36! C(o=-5.4!,f=-5.8!) USER MOD Single : A 61 MET CE :methyl 142:sc= -6.86! (180deg=-11.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 123:sc= 1.18 USER MOD Single : A 67 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.7!) USER MOD Single : A 69 GLN : amide:sc= -4.68! C(o=-4.7!,f=-8.6!) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.052 (180deg=-0.366) USER MOD Single : A 74 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 78 THR OG1 : rot -86:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -6.666 8.574 -0.010 1.00 0.00 N ATOM 197 CA VAL A 14 -6.863 8.659 -1.455 1.00 0.00 C ATOM 198 C VAL A 14 -5.726 9.435 -2.115 1.00 0.00 C ATOM 199 O VAL A 14 -5.272 9.079 -3.201 1.00 0.00 O ATOM 200 CB VAL A 14 -8.230 9.289 -1.826 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.260 9.745 -3.278 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.347 8.284 -1.582 1.00 0.00 C ATOM 0 HA VAL A 14 -6.860 7.637 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.376 10.164 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.233 10.181 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.482 10.490 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.086 8.890 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.305 8.733 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.181 7.399 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.357 7.999 -0.530 1.00 0.00 H new ATOM 212 N THR A 15 -5.259 10.496 -1.464 1.00 0.00 N ATOM 213 CA THR A 15 -4.057 11.174 -1.930 1.00 0.00 C ATOM 214 C THR A 15 -2.874 10.215 -1.824 1.00 0.00 C ATOM 215 O THR A 15 -2.070 10.064 -2.761 1.00 0.00 O ATOM 216 CB THR A 15 -3.772 12.468 -1.137 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.021 12.267 0.262 1.00 0.00 O ATOM 218 CG2 THR A 15 -4.628 13.616 -1.648 1.00 0.00 C ATOM 0 H THR A 15 -5.685 10.898 -0.629 1.00 0.00 H new ATOM 0 HA THR A 15 -4.211 11.468 -2.968 1.00 0.00 H new ATOM 0 HB THR A 15 -2.722 12.722 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.834 13.096 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.409 14.516 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.407 13.794 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.682 13.362 -1.536 1.00 0.00 H new ATOM 226 N GLU A 16 -2.794 9.535 -0.685 1.00 0.00 N ATOM 227 CA GLU A 16 -1.860 8.448 -0.524 1.00 0.00 C ATOM 228 C GLU A 16 -2.102 7.407 -1.603 1.00 0.00 C ATOM 229 O GLU A 16 -1.163 6.954 -2.225 1.00 0.00 O ATOM 230 CB GLU A 16 -1.973 7.822 0.868 1.00 0.00 C ATOM 231 CG GLU A 16 -1.514 8.746 1.984 1.00 0.00 C ATOM 232 CD GLU A 16 -1.563 8.087 3.347 1.00 0.00 C ATOM 233 OE1 GLU A 16 -0.636 7.311 3.666 1.00 0.00 O ATOM 234 OE2 GLU A 16 -2.517 8.354 4.108 1.00 0.00 O ATOM 0 H GLU A 16 -3.369 9.725 0.136 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.848 8.840 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.009 7.536 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.380 6.908 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.495 9.076 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.142 9.637 1.993 1.00 0.00 H new ATOM 241 N LEU A 17 -3.373 7.078 -1.865 1.00 0.00 N ATOM 242 CA LEU A 17 -3.723 6.106 -2.886 1.00 0.00 C ATOM 243 C LEU A 17 -3.127 6.501 -4.235 1.00 0.00 C ATOM 244 O LEU A 17 -2.540 5.677 -4.944 1.00 0.00 O ATOM 245 CB LEU A 17 -5.241 5.988 -3.001 1.00 0.00 C ATOM 246 CG LEU A 17 -5.748 5.365 -4.292 1.00 0.00 C ATOM 247 CD1 LEU A 17 -5.260 3.929 -4.452 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.266 5.431 -4.359 1.00 0.00 C ATOM 0 H LEU A 17 -4.174 7.478 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.311 5.140 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.607 5.396 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.675 6.983 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.340 5.943 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.642 3.517 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.170 3.915 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.618 3.328 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.609 4.980 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.691 4.888 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.587 6.472 -4.320 1.00 0.00 H new ATOM 260 N GLU A 18 -3.275 7.775 -4.566 1.00 0.00 N ATOM 261 CA GLU A 18 -2.712 8.338 -5.782 1.00 0.00 C ATOM 262 C GLU A 18 -1.209 8.076 -5.839 1.00 0.00 C ATOM 263 O GLU A 18 -0.642 7.888 -6.909 1.00 0.00 O ATOM 264 CB GLU A 18 -3.002 9.840 -5.835 1.00 0.00 C ATOM 265 CG GLU A 18 -2.465 10.538 -7.075 1.00 0.00 C ATOM 266 CD GLU A 18 -2.996 9.942 -8.362 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.222 10.007 -8.593 1.00 0.00 O ATOM 268 OE2 GLU A 18 -2.184 9.425 -9.158 1.00 0.00 O ATOM 0 H GLU A 18 -3.790 8.448 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.173 7.860 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.080 9.992 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.572 10.312 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.728 11.595 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.377 10.481 -7.076 1.00 0.00 H new ATOM 275 N CYS A 19 -0.566 8.053 -4.683 1.00 0.00 N ATOM 276 CA CYS A 19 0.861 7.764 -4.621 1.00 0.00 C ATOM 277 C CYS A 19 1.130 6.276 -4.329 1.00 0.00 C ATOM 278 O CYS A 19 2.270 5.818 -4.394 1.00 0.00 O ATOM 279 CB CYS A 19 1.512 8.670 -3.579 1.00 0.00 C ATOM 280 SG CYS A 19 1.257 10.448 -3.918 1.00 0.00 S ATOM 0 H CYS A 19 -1.004 8.229 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 19 1.305 7.969 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.108 8.432 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.581 8.463 -3.543 1.00 0.00 H new ATOM 285 N ILE A 20 0.069 5.530 -4.026 1.00 0.00 N ATOM 286 CA ILE A 20 0.151 4.081 -3.785 1.00 0.00 C ATOM 287 C ILE A 20 -0.181 3.314 -5.079 1.00 0.00 C ATOM 288 O ILE A 20 -0.086 2.089 -5.145 1.00 0.00 O ATOM 289 CB ILE A 20 -0.810 3.641 -2.634 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.436 4.330 -1.322 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.784 2.134 -2.424 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.432 4.104 -0.206 1.00 0.00 C ATOM 0 H ILE A 20 -0.874 5.908 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 20 1.170 3.845 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.816 3.937 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.542 3.972 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.341 5.401 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.465 1.867 -1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.096 1.633 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.227 1.820 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.097 4.624 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.407 4.488 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.510 3.037 0.001 1.00 0.00 H new ATOM 304 N ARG A 21 -0.554 4.069 -6.115 1.00 0.00 N ATOM 305 CA ARG A 21 -0.912 3.535 -7.448 1.00 0.00 C ATOM 306 C ARG A 21 0.147 2.656 -8.101 1.00 0.00 C ATOM 307 O ARG A 21 -0.012 2.264 -9.261 1.00 0.00 O ATOM 308 CB ARG A 21 -1.316 4.654 -8.409 1.00 0.00 C ATOM 309 CG ARG A 21 -0.175 5.561 -8.828 1.00 0.00 C ATOM 310 CD ARG A 21 -0.655 6.648 -9.778 1.00 0.00 C ATOM 311 NE ARG A 21 -1.315 6.094 -10.958 1.00 0.00 N ATOM 312 CZ ARG A 21 -2.348 6.662 -11.573 1.00 0.00 C ATOM 313 NH1 ARG A 21 -2.862 7.802 -11.124 1.00 0.00 N ATOM 314 NH2 ARG A 21 -2.869 6.083 -12.643 1.00 0.00 N ATOM 0 H ARG A 21 -0.619 5.085 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.763 2.883 -7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.757 4.209 -9.301 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.091 5.259 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.273 6.018 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.604 4.971 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.345 7.308 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.194 7.257 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.960 5.215 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.464 8.251 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.655 8.228 -11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.478 5.207 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.662 6.512 -13.120 1.00 0.00 H new ATOM 328 N LEU A 22 1.226 2.396 -7.390 1.00 0.00 N ATOM 329 CA LEU A 22 2.265 1.527 -7.862 1.00 0.00 C ATOM 330 C LEU A 22 3.025 2.145 -9.026 1.00 0.00 C ATOM 331 O LEU A 22 3.536 1.457 -9.902 1.00 0.00 O ATOM 332 CB LEU A 22 1.627 0.203 -8.207 1.00 0.00 C ATOM 333 CG LEU A 22 0.920 -0.459 -7.027 1.00 0.00 C ATOM 334 CD1 LEU A 22 0.136 -1.673 -7.487 1.00 0.00 C ATOM 335 CD2 LEU A 22 1.909 -0.850 -5.943 1.00 0.00 C ATOM 0 H LEU A 22 1.400 2.788 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 22 3.018 1.370 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.908 0.354 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.394 -0.473 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 22 0.225 0.267 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.361 -2.131 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.611 -1.368 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.815 -2.394 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.376 -1.319 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.637 -1.552 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.426 0.040 -5.584 1.00 0.00 H new ATOM 347 N ARG A 23 3.068 3.463 -9.027 1.00 0.00 N ATOM 348 CA ARG A 23 4.069 4.191 -9.781 1.00 0.00 C ATOM 349 C ARG A 23 5.122 4.677 -8.802 1.00 0.00 C ATOM 350 O ARG A 23 5.895 5.591 -9.082 1.00 0.00 O ATOM 351 CB ARG A 23 3.445 5.356 -10.545 1.00 0.00 C ATOM 352 CG ARG A 23 3.279 5.067 -12.026 1.00 0.00 C ATOM 353 CD ARG A 23 2.509 3.779 -12.258 1.00 0.00 C ATOM 354 NE ARG A 23 2.544 3.362 -13.657 1.00 0.00 N ATOM 355 CZ ARG A 23 2.215 2.142 -14.076 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.843 1.217 -13.202 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.278 1.846 -15.366 1.00 0.00 N ATOM 0 H ARG A 23 2.417 4.054 -8.511 1.00 0.00 H new ATOM 0 HA ARG A 23 4.524 3.539 -10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.471 5.588 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.068 6.242 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.756 5.896 -12.503 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.260 4.996 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.928 2.989 -11.634 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.473 3.915 -11.947 1.00 0.00 H new ATOM 0 HE ARG A 23 2.838 4.046 -14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.809 1.440 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.591 0.283 -13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.578 2.553 -16.037 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.026 0.911 -15.688 1.00 0.00 H new ATOM 371 N ILE A 24 5.088 4.050 -7.627 1.00 0.00 N ATOM 372 CA ILE A 24 6.009 4.333 -6.527 1.00 0.00 C ATOM 373 C ILE A 24 7.474 4.140 -6.945 1.00 0.00 C ATOM 374 O ILE A 24 8.052 5.011 -7.592 1.00 0.00 O ATOM 375 CB ILE A 24 5.660 3.440 -5.307 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.134 3.365 -5.167 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.282 3.973 -4.024 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.659 2.734 -3.882 1.00 0.00 C ATOM 0 H ILE A 24 4.410 3.320 -7.409 1.00 0.00 H new ATOM 0 HA ILE A 24 5.893 5.380 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 24 6.070 2.444 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.725 4.373 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.731 2.799 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.015 3.321 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.367 4.001 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.910 4.979 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.569 2.721 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.035 1.713 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.029 3.312 -3.035 1.00 0.00 H new ATOM 390 N SER A 25 8.063 3.009 -6.571 1.00 0.00 N ATOM 391 CA SER A 25 9.427 2.660 -6.986 1.00 0.00 C ATOM 392 C SER A 25 9.891 1.318 -6.388 1.00 0.00 C ATOM 393 O SER A 25 10.390 0.465 -7.121 1.00 0.00 O ATOM 394 CB SER A 25 10.443 3.749 -6.634 1.00 0.00 C ATOM 395 OG SER A 25 11.737 3.411 -7.094 1.00 0.00 O ATOM 0 H SER A 25 7.617 2.310 -5.977 1.00 0.00 H new ATOM 0 HA SER A 25 9.384 2.566 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.133 4.696 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.465 3.894 -5.554 1.00 0.00 H new ATOM 0 HG SER A 25 12.365 4.125 -6.857 1.00 0.00 H new ATOM 401 N PRO A 26 9.753 1.117 -5.047 1.00 0.00 N ATOM 402 CA PRO A 26 10.205 -0.120 -4.356 1.00 0.00 C ATOM 403 C PRO A 26 9.558 -1.413 -4.877 1.00 0.00 C ATOM 404 O PRO A 26 8.949 -1.430 -5.949 1.00 0.00 O ATOM 405 CB PRO A 26 9.763 0.132 -2.909 1.00 0.00 C ATOM 406 CG PRO A 26 9.765 1.605 -2.780 1.00 0.00 C ATOM 407 CD PRO A 26 9.195 2.082 -4.072 1.00 0.00 C ATOM 0 HA PRO A 26 11.273 -0.283 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.774 -0.283 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.447 -0.331 -2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.162 1.932 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.772 1.990 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.105 2.066 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.498 3.105 -4.296 1.00 0.00 H new ATOM 415 N GLU A 27 9.649 -2.494 -4.093 1.00 0.00 N ATOM 416 CA GLU A 27 8.998 -3.759 -4.459 1.00 0.00 C ATOM 417 C GLU A 27 7.494 -3.615 -4.382 1.00 0.00 C ATOM 418 O GLU A 27 6.758 -4.550 -4.686 1.00 0.00 O ATOM 419 CB GLU A 27 9.410 -4.911 -3.550 1.00 0.00 C ATOM 420 CG GLU A 27 10.894 -5.214 -3.557 1.00 0.00 C ATOM 421 CD GLU A 27 11.423 -5.521 -4.940 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.255 -6.668 -5.407 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.016 -4.618 -5.565 1.00 0.00 O ATOM 0 H GLU A 27 10.161 -2.520 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 27 9.317 -3.987 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.104 -4.680 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.867 -5.807 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.436 -4.362 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.090 -6.062 -2.901 1.00 0.00 H new ATOM 430 N THR A 28 7.069 -2.440 -3.935 1.00 0.00 N ATOM 431 CA THR A 28 5.674 -2.069 -3.832 1.00 0.00 C ATOM 432 C THR A 28 4.795 -2.703 -4.914 1.00 0.00 C ATOM 433 O THR A 28 3.817 -3.372 -4.601 1.00 0.00 O ATOM 434 CB THR A 28 5.550 -0.529 -3.902 1.00 0.00 C ATOM 435 OG1 THR A 28 4.181 -0.135 -3.957 1.00 0.00 O ATOM 436 CG2 THR A 28 6.278 0.025 -5.109 1.00 0.00 C ATOM 0 H THR A 28 7.705 -1.704 -3.628 1.00 0.00 H new ATOM 0 HA THR A 28 5.314 -2.447 -2.875 1.00 0.00 H new ATOM 0 HB THR A 28 6.007 -0.125 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.709 -0.483 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.173 1.110 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.335 -0.236 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.851 -0.399 -6.018 1.00 0.00 H new ATOM 444 N ASN A 29 5.168 -2.535 -6.167 1.00 0.00 N ATOM 445 CA ASN A 29 4.311 -2.949 -7.260 1.00 0.00 C ATOM 446 C ASN A 29 4.103 -4.452 -7.221 1.00 0.00 C ATOM 447 O ASN A 29 2.971 -4.917 -7.163 1.00 0.00 O ATOM 448 CB ASN A 29 4.913 -2.515 -8.598 1.00 0.00 C ATOM 449 CG ASN A 29 5.376 -1.067 -8.588 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.646 -0.186 -7.909 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 6.378 -0.727 -9.216 1.00 0.00 N flip ATOM 0 H ASN A 29 6.054 -2.117 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 29 3.340 -2.467 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.757 -3.161 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.173 -2.651 -9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.920 -1.423 -9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.667 0.251 -9.224 1.00 0.00 H new ATOM 458 N ALA A 30 5.200 -5.200 -7.175 1.00 0.00 N ATOM 459 CA ALA A 30 5.128 -6.650 -7.162 1.00 0.00 C ATOM 460 C ALA A 30 4.454 -7.131 -5.886 1.00 0.00 C ATOM 461 O ALA A 30 3.430 -7.819 -5.924 1.00 0.00 O ATOM 462 CB ALA A 30 6.525 -7.246 -7.279 1.00 0.00 C ATOM 0 H ALA A 30 6.147 -4.823 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 30 4.535 -6.980 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.459 -8.334 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.983 -6.920 -8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.135 -6.911 -6.440 1.00 0.00 H new ATOM 468 N ALA A 31 5.018 -6.709 -4.763 1.00 0.00 N ATOM 469 CA ALA A 31 4.583 -7.161 -3.455 1.00 0.00 C ATOM 470 C ALA A 31 3.099 -6.910 -3.229 1.00 0.00 C ATOM 471 O ALA A 31 2.333 -7.856 -3.059 1.00 0.00 O ATOM 472 CB ALA A 31 5.408 -6.494 -2.374 1.00 0.00 C ATOM 0 H ALA A 31 5.790 -6.043 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 31 4.736 -8.239 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.074 -6.840 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.459 -6.749 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.286 -5.413 -2.438 1.00 0.00 H new ATOM 478 N PHE A 32 2.686 -5.645 -3.216 1.00 0.00 N ATOM 479 CA PHE A 32 1.276 -5.322 -3.005 1.00 0.00 C ATOM 480 C PHE A 32 0.397 -5.865 -4.123 1.00 0.00 C ATOM 481 O PHE A 32 -0.797 -6.028 -3.934 1.00 0.00 O ATOM 482 CB PHE A 32 1.055 -3.822 -2.879 1.00 0.00 C ATOM 483 CG PHE A 32 2.017 -3.249 -1.923 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.222 -3.848 -0.701 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.788 -2.186 -2.285 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.207 -3.395 0.133 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.752 -1.715 -1.448 1.00 0.00 C ATOM 488 CZ PHE A 32 3.973 -2.326 -0.246 1.00 0.00 C ATOM 0 H PHE A 32 3.296 -4.838 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 32 0.991 -5.802 -2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.170 -3.346 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.036 -3.623 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.602 -4.679 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.633 -1.713 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.379 -3.877 1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.343 -0.857 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.754 -1.965 0.407 1.00 0.00 H new ATOM 498 N ASP A 33 0.963 -6.132 -5.294 1.00 0.00 N ATOM 499 CA ASP A 33 0.175 -6.709 -6.364 1.00 0.00 C ATOM 500 C ASP A 33 -0.376 -8.044 -5.902 1.00 0.00 C ATOM 501 O ASP A 33 -1.588 -8.216 -5.822 1.00 0.00 O ATOM 502 CB ASP A 33 0.989 -6.874 -7.644 1.00 0.00 C ATOM 503 CG ASP A 33 0.122 -7.233 -8.836 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.362 -6.310 -9.524 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.075 -8.442 -9.096 1.00 0.00 O ATOM 0 H ASP A 33 1.943 -5.961 -5.520 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.645 -6.031 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.525 -5.948 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.740 -7.650 -7.497 1.00 0.00 H new ATOM 510 N ASN A 34 0.508 -8.967 -5.529 1.00 0.00 N ATOM 511 CA ASN A 34 0.053 -10.263 -5.022 1.00 0.00 C ATOM 512 C ASN A 34 -0.470 -10.156 -3.583 1.00 0.00 C ATOM 513 O ASN A 34 -1.267 -10.984 -3.135 1.00 0.00 O ATOM 514 CB ASN A 34 1.137 -11.348 -5.147 1.00 0.00 C ATOM 515 CG ASN A 34 2.491 -10.956 -4.590 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.765 -11.353 -3.366 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 3.307 -10.353 -5.278 1.00 0.00 N flip ATOM 0 H ASN A 34 1.520 -8.849 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.781 -10.572 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.794 -12.246 -4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.253 -11.607 -6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.060 -10.060 -6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.233 -10.144 -4.905 1.00 0.00 H new ATOM 524 N ALA A 35 -0.050 -9.120 -2.868 1.00 0.00 N ATOM 525 CA ALA A 35 -0.556 -8.864 -1.517 1.00 0.00 C ATOM 526 C ALA A 35 -2.031 -8.493 -1.556 1.00 0.00 C ATOM 527 O ALA A 35 -2.889 -9.180 -0.992 1.00 0.00 O ATOM 528 CB ALA A 35 0.233 -7.748 -0.847 1.00 0.00 C ATOM 0 H ALA A 35 0.638 -8.442 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.435 -9.780 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.160 -7.575 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.283 -8.034 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.142 -6.835 -1.435 1.00 0.00 H new ATOM 534 N VAL A 36 -2.315 -7.407 -2.243 1.00 0.00 N ATOM 535 CA VAL A 36 -3.662 -6.906 -2.386 1.00 0.00 C ATOM 536 C VAL A 36 -4.468 -7.844 -3.275 1.00 0.00 C ATOM 537 O VAL A 36 -5.683 -7.737 -3.368 1.00 0.00 O ATOM 538 CB VAL A 36 -3.616 -5.482 -2.957 1.00 0.00 C ATOM 539 CG1 VAL A 36 -4.987 -4.835 -2.941 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.605 -4.642 -2.181 1.00 0.00 C ATOM 0 H VAL A 36 -1.611 -6.844 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.154 -6.866 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.298 -5.540 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.919 -3.828 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.676 -5.427 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.354 -4.784 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.578 -3.633 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.897 -4.599 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.617 -5.094 -2.264 1.00 0.00 H new ATOM 550 N GLN A 37 -3.765 -8.759 -3.929 1.00 0.00 N ATOM 551 CA GLN A 37 -4.390 -9.911 -4.551 1.00 0.00 C ATOM 552 C GLN A 37 -5.031 -10.812 -3.492 1.00 0.00 C ATOM 553 O GLN A 37 -6.180 -11.221 -3.639 1.00 0.00 O ATOM 554 CB GLN A 37 -3.351 -10.689 -5.345 1.00 0.00 C ATOM 555 CG GLN A 37 -3.391 -10.398 -6.839 1.00 0.00 C ATOM 556 CD GLN A 37 -2.493 -11.320 -7.637 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.254 -10.906 -7.843 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -2.919 -12.388 -8.076 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.752 -8.721 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.174 -9.566 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.359 -10.451 -4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.507 -11.756 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.416 -10.496 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.090 -9.365 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.883 -12.667 -7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.308 -12.994 -8.624 1.00 0.00 H new ATOM 567 N GLN A 38 -4.282 -11.122 -2.426 1.00 0.00 N ATOM 568 CA GLN A 38 -4.826 -11.901 -1.301 1.00 0.00 C ATOM 569 C GLN A 38 -6.067 -11.240 -0.736 1.00 0.00 C ATOM 570 O GLN A 38 -7.163 -11.801 -0.776 1.00 0.00 O ATOM 571 CB GLN A 38 -3.830 -12.018 -0.153 1.00 0.00 C ATOM 572 CG GLN A 38 -2.495 -12.582 -0.526 1.00 0.00 C ATOM 573 CD GLN A 38 -1.460 -12.084 0.437 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.541 -12.813 0.796 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.603 -10.806 0.838 1.00 0.00 N ATOM 0 H GLN A 38 -3.305 -10.849 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.053 -12.888 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.681 -11.029 0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.267 -12.644 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.530 -13.671 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.234 -12.287 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.391 -10.251 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.924 -10.393 1.477 1.00 0.00 H new ATOM 584 N LEU A 39 -5.873 -10.037 -0.203 1.00 0.00 N ATOM 585 CA LEU A 39 -6.966 -9.286 0.412 1.00 0.00 C ATOM 586 C LEU A 39 -8.033 -9.013 -0.622 1.00 0.00 C ATOM 587 O LEU A 39 -9.212 -8.902 -0.296 1.00 0.00 O ATOM 588 CB LEU A 39 -6.483 -7.948 0.978 1.00 0.00 C ATOM 589 CG LEU A 39 -5.052 -7.558 0.627 1.00 0.00 C ATOM 590 CD1 LEU A 39 -4.856 -6.073 0.824 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.062 -8.325 1.491 1.00 0.00 C ATOM 0 H LEU A 39 -4.971 -9.561 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.363 -9.887 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.151 -7.163 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.575 -7.980 2.064 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.874 -7.809 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.830 -5.805 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.544 -5.526 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.052 -5.815 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.046 -8.033 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.243 -8.097 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.187 -9.395 1.325 1.00 0.00 H new ATOM 603 N ASN A 40 -7.591 -8.918 -1.868 1.00 0.00 N ATOM 604 CA ASN A 40 -8.473 -8.637 -2.990 1.00 0.00 C ATOM 605 C ASN A 40 -9.277 -7.382 -2.710 1.00 0.00 C ATOM 606 O ASN A 40 -10.509 -7.383 -2.650 1.00 0.00 O ATOM 607 CB ASN A 40 -9.362 -9.834 -3.256 1.00 0.00 C ATOM 608 CG ASN A 40 -10.084 -9.750 -4.589 1.00 0.00 C ATOM 609 OD1 ASN A 40 -9.564 -10.186 -5.615 1.00 0.00 O ATOM 610 ND2 ASN A 40 -11.289 -9.206 -4.584 1.00 0.00 N ATOM 0 H ASN A 40 -6.612 -9.034 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.884 -8.457 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.758 -10.741 -3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.097 -9.919 -2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.821 -9.137 -5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.687 -8.856 -3.713 1.00 0.00 H new ATOM 617 N CYS A 41 -8.541 -6.316 -2.500 1.00 0.00 N ATOM 618 CA CYS A 41 -9.127 -5.023 -2.206 1.00 0.00 C ATOM 619 C CYS A 41 -9.198 -4.146 -3.453 1.00 0.00 C ATOM 620 O CYS A 41 -9.474 -2.949 -3.356 1.00 0.00 O ATOM 621 CB CYS A 41 -8.313 -4.329 -1.118 1.00 0.00 C ATOM 622 SG CYS A 41 -9.075 -4.367 0.537 1.00 0.00 S ATOM 0 H CYS A 41 -7.521 -6.317 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.147 -5.180 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.330 -4.798 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.155 -3.290 -1.407 1.00 0.00 H new ATOM 627 N LEU A 42 -8.942 -4.758 -4.613 1.00 0.00 N ATOM 628 CA LEU A 42 -8.955 -4.074 -5.912 1.00 0.00 C ATOM 629 C LEU A 42 -7.816 -3.054 -5.998 1.00 0.00 C ATOM 630 O LEU A 42 -6.852 -3.254 -6.732 1.00 0.00 O ATOM 631 CB LEU A 42 -10.320 -3.412 -6.170 1.00 0.00 C ATOM 632 CG LEU A 42 -10.601 -2.997 -7.622 1.00 0.00 C ATOM 633 CD1 LEU A 42 -12.100 -2.897 -7.853 1.00 0.00 C ATOM 634 CD2 LEU A 42 -9.935 -1.668 -7.955 1.00 0.00 C ATOM 0 H LEU A 42 -8.718 -5.751 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.796 -4.818 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.102 -4.101 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.398 -2.527 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.183 -3.760 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.290 -2.602 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.563 -3.865 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.523 -2.152 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.152 -1.401 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.319 -0.893 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.857 -1.758 -7.822 1.00 0.00 H new ATOM 646 N ASN A 43 -7.921 -1.970 -5.243 1.00 0.00 N ATOM 647 CA ASN A 43 -6.866 -0.971 -5.203 1.00 0.00 C ATOM 648 C ASN A 43 -6.070 -1.099 -3.915 1.00 0.00 C ATOM 649 O ASN A 43 -6.550 -1.637 -2.914 1.00 0.00 O ATOM 650 CB ASN A 43 -7.412 0.462 -5.385 1.00 0.00 C ATOM 651 CG ASN A 43 -8.431 0.919 -4.343 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.391 0.357 -3.147 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -9.259 1.781 -4.624 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.725 -1.761 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.200 -1.159 -6.045 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.571 1.156 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.871 0.534 -6.371 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.266 2.197 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.940 2.081 -3.926 1.00 0.00 H new ATOM 660 N ARG A 44 -4.858 -0.584 -3.943 1.00 0.00 N ATOM 661 CA ARG A 44 -3.910 -0.773 -2.856 1.00 0.00 C ATOM 662 C ARG A 44 -4.206 0.161 -1.688 1.00 0.00 C ATOM 663 O ARG A 44 -3.639 0.010 -0.604 1.00 0.00 O ATOM 664 CB ARG A 44 -2.472 -0.585 -3.353 1.00 0.00 C ATOM 665 CG ARG A 44 -1.877 -1.830 -4.004 1.00 0.00 C ATOM 666 CD ARG A 44 -2.638 -2.263 -5.249 1.00 0.00 C ATOM 667 NE ARG A 44 -2.431 -3.679 -5.555 1.00 0.00 N ATOM 668 CZ ARG A 44 -3.183 -4.374 -6.410 1.00 0.00 C ATOM 669 NH1 ARG A 44 -4.112 -3.761 -7.131 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.996 -5.679 -6.554 1.00 0.00 N ATOM 0 H ARG A 44 -4.500 -0.024 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.019 -1.796 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.450 0.235 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.843 -0.290 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.838 -1.635 -4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.875 -2.647 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.702 -2.075 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.318 -1.658 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.666 -4.164 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.253 -2.756 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.686 -4.295 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.276 -6.154 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.573 -6.208 -7.209 1.00 0.00 H new ATOM 684 N ALA A 45 -5.107 1.112 -1.907 1.00 0.00 N ATOM 685 CA ALA A 45 -5.559 1.985 -0.833 1.00 0.00 C ATOM 686 C ALA A 45 -6.320 1.178 0.203 1.00 0.00 C ATOM 687 O ALA A 45 -6.171 1.381 1.401 1.00 0.00 O ATOM 688 CB ALA A 45 -6.440 3.101 -1.370 1.00 0.00 C ATOM 0 H ALA A 45 -5.536 1.297 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.682 2.437 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.763 3.738 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.876 3.696 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.313 2.671 -1.861 1.00 0.00 H new ATOM 694 N CYS A 46 -7.123 0.248 -0.286 1.00 0.00 N ATOM 695 CA CYS A 46 -7.897 -0.638 0.566 1.00 0.00 C ATOM 696 C CYS A 46 -6.968 -1.540 1.376 1.00 0.00 C ATOM 697 O CYS A 46 -7.268 -1.927 2.510 1.00 0.00 O ATOM 698 CB CYS A 46 -8.824 -1.486 -0.297 1.00 0.00 C ATOM 699 SG CYS A 46 -9.966 -2.549 0.648 1.00 0.00 S ATOM 0 H CYS A 46 -7.256 0.086 -1.284 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.490 -0.041 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.408 -0.826 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.219 -2.114 -0.951 1.00 0.00 H new ATOM 704 N ALA A 47 -5.827 -1.863 0.783 1.00 0.00 N ATOM 705 CA ALA A 47 -4.829 -2.674 1.448 1.00 0.00 C ATOM 706 C ALA A 47 -4.271 -1.929 2.648 1.00 0.00 C ATOM 707 O ALA A 47 -4.239 -2.461 3.759 1.00 0.00 O ATOM 708 CB ALA A 47 -3.725 -3.038 0.475 1.00 0.00 C ATOM 0 H ALA A 47 -5.573 -1.572 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.291 -3.596 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.978 -3.648 0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.146 -3.600 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.256 -2.128 0.100 1.00 0.00 H new ATOM 714 N TYR A 48 -3.848 -0.692 2.417 1.00 0.00 N ATOM 715 CA TYR A 48 -3.390 0.172 3.495 1.00 0.00 C ATOM 716 C TYR A 48 -4.536 0.464 4.464 1.00 0.00 C ATOM 717 O TYR A 48 -4.320 0.593 5.664 1.00 0.00 O ATOM 718 CB TYR A 48 -2.815 1.477 2.937 1.00 0.00 C ATOM 719 CG TYR A 48 -1.318 1.439 2.676 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.422 1.771 3.685 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.799 1.096 1.425 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.942 1.759 3.465 1.00 0.00 C ATOM 723 CE2 TYR A 48 0.572 1.085 1.199 1.00 0.00 C ATOM 724 CZ TYR A 48 1.433 1.418 2.224 1.00 0.00 C ATOM 725 OH TYR A 48 2.791 1.408 2.012 1.00 0.00 O ATOM 0 H TYR A 48 -3.813 -0.265 1.491 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.598 -0.345 4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.328 1.718 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.030 2.284 3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.799 2.044 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.473 0.836 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.622 2.016 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.961 0.818 0.228 1.00 0.00 H new ATOM 0 HH TYR A 48 3.251 1.188 2.849 1.00 0.00 H new ATOM 735 N ARG A 49 -5.753 0.551 3.931 1.00 0.00 N ATOM 736 CA ARG A 49 -6.956 0.738 4.745 1.00 0.00 C ATOM 737 C ARG A 49 -7.040 -0.303 5.863 1.00 0.00 C ATOM 738 O ARG A 49 -7.203 0.040 7.035 1.00 0.00 O ATOM 739 CB ARG A 49 -8.213 0.654 3.863 1.00 0.00 C ATOM 740 CG ARG A 49 -9.516 0.596 4.647 1.00 0.00 C ATOM 741 CD ARG A 49 -10.683 0.154 3.772 1.00 0.00 C ATOM 742 NE ARG A 49 -11.130 1.204 2.852 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.974 0.998 1.838 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.395 -0.228 1.551 1.00 0.00 N ATOM 745 NH2 ARG A 49 -12.390 2.023 1.105 1.00 0.00 N ATOM 0 H ARG A 49 -5.934 0.494 2.929 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.898 1.726 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.238 1.519 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.142 -0.231 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.407 -0.094 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.730 1.578 5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.389 -0.725 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.516 -0.145 4.408 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.775 2.149 2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.074 -1.021 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.040 -0.377 0.775 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.065 2.966 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.035 1.867 0.330 1.00 0.00 H new ATOM 759 N LYS A 50 -6.892 -1.573 5.505 1.00 0.00 N ATOM 760 CA LYS A 50 -7.043 -2.645 6.468 1.00 0.00 C ATOM 761 C LYS A 50 -5.749 -2.794 7.251 1.00 0.00 C ATOM 762 O LYS A 50 -5.758 -3.211 8.404 1.00 0.00 O ATOM 763 CB LYS A 50 -7.422 -3.942 5.754 1.00 0.00 C ATOM 764 CG LYS A 50 -7.839 -5.072 6.687 1.00 0.00 C ATOM 765 CD LYS A 50 -9.119 -4.754 7.437 1.00 0.00 C ATOM 766 CE LYS A 50 -9.531 -5.911 8.333 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.848 -7.140 7.559 1.00 0.00 N ATOM 0 H LYS A 50 -6.669 -1.880 4.558 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.846 -2.410 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.239 -3.737 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.574 -4.275 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.976 -5.986 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.039 -5.264 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.978 -3.856 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.917 -4.539 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.728 -6.125 9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.402 -5.620 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.344 -7.818 8.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.456 -6.895 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.966 -7.568 7.211 1.00 0.00 H new ATOM 781 N MET A 51 -4.645 -2.429 6.605 1.00 0.00 N ATOM 782 CA MET A 51 -3.338 -2.334 7.255 1.00 0.00 C ATOM 783 C MET A 51 -3.393 -1.387 8.452 1.00 0.00 C ATOM 784 O MET A 51 -3.003 -1.751 9.560 1.00 0.00 O ATOM 785 CB MET A 51 -2.296 -1.837 6.246 1.00 0.00 C ATOM 786 CG MET A 51 -0.946 -1.479 6.856 1.00 0.00 C ATOM 787 SD MET A 51 -0.073 -2.910 7.506 1.00 0.00 S ATOM 788 CE MET A 51 1.440 -2.148 8.090 1.00 0.00 C ATOM 0 H MET A 51 -4.630 -2.190 5.614 1.00 0.00 H new ATOM 0 HA MET A 51 -3.057 -3.324 7.614 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.146 -2.607 5.489 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.693 -0.960 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.328 -0.995 6.100 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.095 -0.755 7.657 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.088 -2.910 8.522 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.951 -1.668 7.256 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.202 -1.402 8.848 1.00 0.00 H new ATOM 798 N CYS A 52 -3.886 -0.175 8.221 1.00 0.00 N ATOM 799 CA CYS A 52 -3.989 0.824 9.278 1.00 0.00 C ATOM 800 C CYS A 52 -5.041 0.415 10.307 1.00 0.00 C ATOM 801 O CYS A 52 -4.901 0.700 11.499 1.00 0.00 O ATOM 802 CB CYS A 52 -4.330 2.196 8.684 1.00 0.00 C ATOM 803 SG CYS A 52 -3.192 2.752 7.371 1.00 0.00 S ATOM 0 H CYS A 52 -4.221 0.139 7.310 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.024 0.891 9.781 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.342 2.162 8.281 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.330 2.935 9.485 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.366 2.023 6.309 1.00 0.00 H new ATOM 808 N ALA A 53 -6.097 -0.253 9.842 1.00 0.00 N ATOM 809 CA ALA A 53 -7.118 -0.785 10.736 1.00 0.00 C ATOM 810 C ALA A 53 -6.514 -1.828 11.674 1.00 0.00 C ATOM 811 O ALA A 53 -6.691 -1.764 12.890 1.00 0.00 O ATOM 812 CB ALA A 53 -8.264 -1.388 9.937 1.00 0.00 C ATOM 0 H ALA A 53 -6.265 -0.437 8.853 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.511 0.035 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.017 -1.780 10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.711 -0.620 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.886 -2.196 9.311 1.00 0.00 H new ATOM 818 N THR A 54 -5.787 -2.780 11.099 1.00 0.00 N ATOM 819 CA THR A 54 -5.113 -3.803 11.883 1.00 0.00 C ATOM 820 C THR A 54 -3.974 -4.447 11.079 1.00 0.00 C ATOM 821 O THR A 54 -2.845 -4.489 11.552 1.00 0.00 O ATOM 822 CB THR A 54 -6.115 -4.872 12.407 1.00 0.00 C ATOM 823 OG1 THR A 54 -5.443 -5.873 13.184 1.00 0.00 O ATOM 824 CG2 THR A 54 -6.887 -5.545 11.278 1.00 0.00 C ATOM 0 H THR A 54 -5.651 -2.863 10.092 1.00 0.00 H new ATOM 0 HA THR A 54 -4.674 -3.319 12.755 1.00 0.00 H new ATOM 0 HB THR A 54 -6.828 -4.340 13.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.095 -6.532 13.503 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.573 -6.282 11.695 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.453 -4.794 10.726 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.188 -6.040 10.604 1.00 0.00 H new ATOM 832 N ASN A 55 -4.283 -4.889 9.851 1.00 0.00 N ATOM 833 CA ASN A 55 -3.346 -5.566 8.950 1.00 0.00 C ATOM 834 C ASN A 55 -4.150 -6.262 7.868 1.00 0.00 C ATOM 835 O ASN A 55 -5.352 -6.474 8.037 1.00 0.00 O ATOM 836 CB ASN A 55 -2.472 -6.605 9.676 1.00 0.00 C ATOM 837 CG ASN A 55 -1.064 -6.108 9.967 1.00 0.00 C ATOM 838 OD1 ASN A 55 -0.509 -5.307 9.221 1.00 0.00 O ATOM 839 ND2 ASN A 55 -0.475 -6.586 11.052 1.00 0.00 N ATOM 0 H ASN A 55 -5.215 -4.782 9.450 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.674 -4.816 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.953 -6.883 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.413 -7.508 9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.471 -6.290 11.291 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.967 -7.251 11.649 1.00 0.00 H new ATOM 846 N ASN A 56 -3.500 -6.624 6.767 1.00 0.00 N ATOM 847 CA ASN A 56 -4.196 -7.225 5.638 1.00 0.00 C ATOM 848 C ASN A 56 -3.210 -7.580 4.547 1.00 0.00 C ATOM 849 O ASN A 56 -2.932 -8.752 4.296 1.00 0.00 O ATOM 850 CB ASN A 56 -5.244 -6.260 5.082 1.00 0.00 C ATOM 851 CG ASN A 56 -6.220 -6.912 4.130 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.402 -8.127 4.138 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.900 -6.092 3.343 1.00 0.00 N ATOM 0 H ASN A 56 -2.495 -6.512 6.634 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.694 -8.131 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.797 -5.820 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.738 -5.443 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.608 -6.463 2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.715 -5.089 3.370 1.00 0.00 H new ATOM 860 N LEU A 57 -2.652 -6.548 3.915 1.00 0.00 N ATOM 861 CA LEU A 57 -1.721 -6.732 2.806 1.00 0.00 C ATOM 862 C LEU A 57 -0.488 -7.495 3.235 1.00 0.00 C ATOM 863 O LEU A 57 0.132 -8.183 2.423 1.00 0.00 O ATOM 864 CB LEU A 57 -1.312 -5.386 2.187 1.00 0.00 C ATOM 865 CG LEU A 57 -1.316 -4.158 3.117 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.418 -4.362 4.326 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.871 -2.925 2.349 1.00 0.00 C ATOM 0 H LEU A 57 -2.831 -5.573 4.155 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.244 -7.318 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.309 -5.494 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.981 -5.180 1.351 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.335 -4.020 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.449 -3.473 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.766 -5.224 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.606 -4.536 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.876 -2.061 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.137 -3.080 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.554 -2.748 1.518 1.00 0.00 H new ATOM 879 N GLU A 58 -0.198 -7.419 4.526 1.00 0.00 N ATOM 880 CA GLU A 58 1.081 -7.852 5.073 1.00 0.00 C ATOM 881 C GLU A 58 1.381 -9.302 4.738 1.00 0.00 C ATOM 882 O GLU A 58 2.534 -9.708 4.700 1.00 0.00 O ATOM 883 CB GLU A 58 1.151 -7.589 6.587 1.00 0.00 C ATOM 884 CG GLU A 58 -0.050 -8.068 7.398 1.00 0.00 C ATOM 885 CD GLU A 58 -0.070 -9.562 7.623 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.768 -10.064 8.404 1.00 0.00 O ATOM 887 OE2 GLU A 58 -0.934 -10.237 7.041 1.00 0.00 O ATOM 0 H GLU A 58 -0.844 -7.054 5.226 1.00 0.00 H new ATOM 0 HA GLU A 58 1.859 -7.255 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.047 -8.070 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.269 -6.517 6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.050 -7.563 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.965 -7.774 6.885 1.00 0.00 H new ATOM 894 N GLN A 59 0.338 -10.060 4.465 1.00 0.00 N ATOM 895 CA GLN A 59 0.475 -11.435 4.045 1.00 0.00 C ATOM 896 C GLN A 59 1.558 -11.599 2.955 1.00 0.00 C ATOM 897 O GLN A 59 2.665 -12.087 3.224 1.00 0.00 O ATOM 898 CB GLN A 59 -0.886 -11.925 3.573 1.00 0.00 C ATOM 899 CG GLN A 59 -1.856 -12.189 4.718 1.00 0.00 C ATOM 900 CD GLN A 59 -3.258 -12.536 4.253 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.679 -11.953 3.145 1.00 0.00 O flip ATOM 902 NE2 GLN A 59 -3.967 -13.303 4.906 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.628 -9.737 4.529 1.00 0.00 H new ATOM 0 HA GLN A 59 0.810 -12.043 4.886 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.319 -11.184 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.756 -12.841 2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.471 -13.006 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.901 -11.307 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.604 -13.733 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.917 -13.508 4.596 1.00 0.00 H new ATOM 911 N ALA A 60 1.294 -11.083 1.769 1.00 0.00 N ATOM 912 CA ALA A 60 2.187 -11.311 0.639 1.00 0.00 C ATOM 913 C ALA A 60 3.307 -10.308 0.612 1.00 0.00 C ATOM 914 O ALA A 60 4.471 -10.682 0.662 1.00 0.00 O ATOM 915 CB ALA A 60 1.434 -11.269 -0.671 1.00 0.00 C ATOM 0 H ALA A 60 0.478 -10.508 1.560 1.00 0.00 H new ATOM 0 HA ALA A 60 2.614 -12.306 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.127 -11.442 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.666 -12.042 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.966 -10.292 -0.790 1.00 0.00 H new ATOM 921 N MET A 61 2.950 -9.038 0.481 1.00 0.00 N ATOM 922 CA MET A 61 3.934 -7.961 0.537 1.00 0.00 C ATOM 923 C MET A 61 5.002 -8.183 1.616 1.00 0.00 C ATOM 924 O MET A 61 6.185 -8.051 1.318 1.00 0.00 O ATOM 925 CB MET A 61 3.251 -6.595 0.705 1.00 0.00 C ATOM 926 CG MET A 61 2.308 -6.474 1.889 1.00 0.00 C ATOM 927 SD MET A 61 3.117 -6.062 3.450 1.00 0.00 S ATOM 928 CE MET A 61 2.918 -4.280 3.496 1.00 0.00 C ATOM 0 H MET A 61 1.990 -8.727 0.336 1.00 0.00 H new ATOM 0 HA MET A 61 4.456 -7.969 -0.420 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.023 -5.832 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.693 -6.373 -0.205 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.563 -5.710 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.773 -7.416 2.009 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.715 -3.963 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.832 -3.803 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.086 -3.990 2.855 1.00 0.00 H new ATOM 938 N SER A 62 4.620 -8.556 2.843 1.00 0.00 N ATOM 939 CA SER A 62 5.630 -8.719 3.895 1.00 0.00 C ATOM 940 C SER A 62 6.406 -10.030 3.717 1.00 0.00 C ATOM 941 O SER A 62 7.585 -10.103 4.072 1.00 0.00 O ATOM 942 CB SER A 62 5.018 -8.633 5.296 1.00 0.00 C ATOM 943 OG SER A 62 6.017 -8.676 6.305 1.00 0.00 O ATOM 0 H SER A 62 3.658 -8.744 3.126 1.00 0.00 H new ATOM 0 HA SER A 62 6.331 -7.891 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.446 -7.710 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.319 -9.457 5.440 1.00 0.00 H new ATOM 0 HG SER A 62 5.594 -8.618 7.187 1.00 0.00 H new ATOM 949 N VAL A 63 5.768 -11.073 3.173 1.00 0.00 N ATOM 950 CA VAL A 63 6.517 -12.272 2.795 1.00 0.00 C ATOM 951 C VAL A 63 7.530 -11.945 1.686 1.00 0.00 C ATOM 952 O VAL A 63 8.647 -12.466 1.676 1.00 0.00 O ATOM 953 CB VAL A 63 5.583 -13.421 2.337 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.357 -14.502 1.598 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.871 -14.027 3.537 1.00 0.00 C ATOM 0 H VAL A 63 4.765 -11.111 2.990 1.00 0.00 H new ATOM 0 HA VAL A 63 7.050 -12.612 3.683 1.00 0.00 H new ATOM 0 HB VAL A 63 4.847 -13.000 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.673 -15.293 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.833 -14.071 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.120 -14.918 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.218 -14.833 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.608 -14.423 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.276 -13.260 4.033 1.00 0.00 H new ATOM 965 N TYR A 64 7.142 -11.057 0.777 1.00 0.00 N ATOM 966 CA TYR A 64 7.978 -10.691 -0.361 1.00 0.00 C ATOM 967 C TYR A 64 9.127 -9.758 0.029 1.00 0.00 C ATOM 968 O TYR A 64 10.286 -10.169 0.038 1.00 0.00 O ATOM 969 CB TYR A 64 7.121 -10.049 -1.454 1.00 0.00 C ATOM 970 CG TYR A 64 6.622 -11.027 -2.494 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.935 -12.177 -2.127 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.850 -10.803 -3.846 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.487 -13.075 -3.077 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.403 -11.695 -4.803 1.00 0.00 C ATOM 975 CZ TYR A 64 5.721 -12.829 -4.413 1.00 0.00 C ATOM 976 OH TYR A 64 5.273 -13.719 -5.365 1.00 0.00 O ATOM 0 H TYR A 64 6.245 -10.573 0.807 1.00 0.00 H new ATOM 0 HA TYR A 64 8.429 -11.609 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.265 -9.559 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.703 -9.272 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.748 -12.373 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.385 -9.917 -4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.956 -13.965 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.587 -11.505 -5.850 1.00 0.00 H new ATOM 0 HH TYR A 64 5.520 -13.396 -6.257 1.00 0.00 H new ATOM 986 N PHE A 65 8.814 -8.509 0.356 1.00 0.00 N ATOM 987 CA PHE A 65 9.854 -7.519 0.637 1.00 0.00 C ATOM 988 C PHE A 65 10.291 -7.584 2.101 1.00 0.00 C ATOM 989 O PHE A 65 9.690 -8.293 2.910 1.00 0.00 O ATOM 990 CB PHE A 65 9.379 -6.100 0.254 1.00 0.00 C ATOM 991 CG PHE A 65 8.105 -5.666 0.896 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.957 -5.690 2.269 1.00 0.00 C ATOM 993 CD2 PHE A 65 7.063 -5.211 0.121 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.790 -5.272 2.855 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.892 -4.794 0.701 1.00 0.00 C ATOM 996 CZ PHE A 65 5.758 -4.823 2.071 1.00 0.00 C ATOM 0 H PHE A 65 7.859 -8.158 0.433 1.00 0.00 H new ATOM 0 HA PHE A 65 10.723 -7.756 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.161 -5.388 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.257 -6.054 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.769 -6.042 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.168 -5.182 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.684 -5.296 3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.077 -4.444 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.838 -4.491 2.529 1.00 0.00 H new ATOM 1006 N THR A 66 11.339 -6.850 2.433 1.00 0.00 N ATOM 1007 CA THR A 66 11.857 -6.830 3.787 1.00 0.00 C ATOM 1008 C THR A 66 11.358 -5.613 4.572 1.00 0.00 C ATOM 1009 O THR A 66 10.534 -4.841 4.074 1.00 0.00 O ATOM 1010 CB THR A 66 13.393 -6.863 3.766 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.872 -6.176 2.601 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.900 -8.297 3.767 1.00 0.00 C ATOM 0 H THR A 66 11.849 -6.257 1.778 1.00 0.00 H new ATOM 0 HA THR A 66 11.486 -7.719 4.297 1.00 0.00 H new ATOM 0 HB THR A 66 13.766 -6.366 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.470 -5.449 2.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.990 -8.298 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.549 -8.806 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.525 -8.816 2.885 1.00 0.00 H new ATOM 1020 N ASN A 67 11.864 -5.445 5.792 1.00 0.00 N ATOM 1021 CA ASN A 67 11.375 -4.408 6.703 1.00 0.00 C ATOM 1022 C ASN A 67 11.628 -3.012 6.157 1.00 0.00 C ATOM 1023 O ASN A 67 10.695 -2.240 5.939 1.00 0.00 O ATOM 1024 CB ASN A 67 12.040 -4.543 8.073 1.00 0.00 C ATOM 1025 CG ASN A 67 11.550 -5.746 8.852 1.00 0.00 C ATOM 1026 OD1 ASN A 67 11.137 -6.754 8.277 1.00 0.00 O ATOM 1027 ND2 ASN A 67 11.602 -5.651 10.168 1.00 0.00 N ATOM 0 H ASN A 67 12.617 -6.016 6.176 1.00 0.00 H new ATOM 0 HA ASN A 67 10.299 -4.548 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.119 -4.617 7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.851 -3.640 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.293 -6.431 10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.951 -4.798 10.604 1.00 0.00 H new ATOM 1034 N GLU A 68 12.893 -2.695 5.930 1.00 0.00 N ATOM 1035 CA GLU A 68 13.279 -1.380 5.432 1.00 0.00 C ATOM 1036 C GLU A 68 12.645 -1.092 4.074 1.00 0.00 C ATOM 1037 O GLU A 68 12.362 0.056 3.739 1.00 0.00 O ATOM 1038 CB GLU A 68 14.805 -1.267 5.380 1.00 0.00 C ATOM 1039 CG GLU A 68 15.521 -2.578 5.070 1.00 0.00 C ATOM 1040 CD GLU A 68 15.396 -3.017 3.629 1.00 0.00 C ATOM 1041 OE1 GLU A 68 16.219 -2.583 2.795 1.00 0.00 O ATOM 1042 OE2 GLU A 68 14.490 -3.817 3.331 1.00 0.00 O ATOM 0 H GLU A 68 13.675 -3.332 6.083 1.00 0.00 H new ATOM 0 HA GLU A 68 12.904 -0.623 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.078 -0.530 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.163 -0.889 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.577 -2.471 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.121 -3.361 5.714 1.00 0.00 H new ATOM 1049 N GLN A 69 12.399 -2.150 3.319 1.00 0.00 N ATOM 1050 CA GLN A 69 11.739 -2.049 2.024 1.00 0.00 C ATOM 1051 C GLN A 69 10.339 -1.450 2.162 1.00 0.00 C ATOM 1052 O GLN A 69 9.923 -0.624 1.349 1.00 0.00 O ATOM 1053 CB GLN A 69 11.648 -3.431 1.382 1.00 0.00 C ATOM 1054 CG GLN A 69 12.159 -3.483 -0.048 1.00 0.00 C ATOM 1055 CD GLN A 69 11.233 -2.781 -1.019 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.668 -2.230 -2.027 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.941 -2.817 -0.733 1.00 0.00 N ATOM 0 H GLN A 69 12.650 -3.102 3.584 1.00 0.00 H new ATOM 0 HA GLN A 69 12.331 -1.388 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.216 -4.139 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.609 -3.760 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.146 -3.023 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.277 -4.523 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.619 -3.285 0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.267 -2.377 -1.360 1.00 0.00 H new ATOM 1066 N ILE A 70 9.603 -1.872 3.178 1.00 0.00 N ATOM 1067 CA ILE A 70 8.260 -1.362 3.371 1.00 0.00 C ATOM 1068 C ILE A 70 8.271 -0.078 4.210 1.00 0.00 C ATOM 1069 O ILE A 70 7.295 0.670 4.229 1.00 0.00 O ATOM 1070 CB ILE A 70 7.299 -2.437 3.944 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.872 -1.904 4.029 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.747 -2.976 5.287 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.373 -1.375 2.708 1.00 0.00 C ATOM 0 H ILE A 70 9.909 -2.556 3.871 1.00 0.00 H new ATOM 0 HA ILE A 70 7.866 -1.102 2.389 1.00 0.00 H new ATOM 0 HB ILE A 70 7.324 -3.274 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.210 -2.700 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.828 -1.110 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.034 -3.724 5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.732 -3.433 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.798 -2.160 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.353 -1.008 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.016 -0.560 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.389 -2.174 1.967 1.00 0.00 H new ATOM 1085 N LYS A 71 9.389 0.199 4.872 1.00 0.00 N ATOM 1086 CA LYS A 71 9.620 1.537 5.407 1.00 0.00 C ATOM 1087 C LYS A 71 9.616 2.507 4.245 1.00 0.00 C ATOM 1088 O LYS A 71 8.930 3.543 4.267 1.00 0.00 O ATOM 1089 CB LYS A 71 10.964 1.630 6.113 1.00 0.00 C ATOM 1090 CG LYS A 71 11.118 0.688 7.297 1.00 0.00 C ATOM 1091 CD LYS A 71 10.102 0.994 8.385 1.00 0.00 C ATOM 1092 CE LYS A 71 10.368 0.186 9.648 1.00 0.00 C ATOM 1093 NZ LYS A 71 11.692 0.501 10.253 1.00 0.00 N ATOM 0 H LYS A 71 10.138 -0.471 5.049 1.00 0.00 H new ATOM 0 HA LYS A 71 8.839 1.769 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.755 1.421 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.110 2.654 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.996 -0.342 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.126 0.774 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.131 2.058 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.099 0.776 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.582 0.385 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.322 -0.877 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.708 0.177 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.442 0.018 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.852 1.528 10.223 1.00 0.00 H new ATOM 1107 N GLU A 72 10.391 2.137 3.221 1.00 0.00 N ATOM 1108 CA GLU A 72 10.427 2.877 1.979 1.00 0.00 C ATOM 1109 C GLU A 72 9.023 3.100 1.485 1.00 0.00 C ATOM 1110 O GLU A 72 8.555 4.218 1.496 1.00 0.00 O ATOM 1111 CB GLU A 72 11.228 2.138 0.904 1.00 0.00 C ATOM 1112 CG GLU A 72 12.710 2.012 1.195 1.00 0.00 C ATOM 1113 CD GLU A 72 13.437 1.263 0.099 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.650 1.845 -0.984 1.00 0.00 O ATOM 1115 OE2 GLU A 72 13.785 0.084 0.308 1.00 0.00 O ATOM 0 H GLU A 72 11.003 1.321 3.240 1.00 0.00 H new ATOM 0 HA GLU A 72 10.917 3.831 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.809 1.139 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.101 2.657 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.144 3.006 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.851 1.495 2.144 1.00 0.00 H new ATOM 1122 N ILE A 73 8.335 2.017 1.125 1.00 0.00 N ATOM 1123 CA ILE A 73 6.993 2.113 0.549 1.00 0.00 C ATOM 1124 C ILE A 73 6.045 2.895 1.452 1.00 0.00 C ATOM 1125 O ILE A 73 5.129 3.547 0.970 1.00 0.00 O ATOM 1126 CB ILE A 73 6.378 0.731 0.258 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.238 -0.039 -0.719 1.00 0.00 C ATOM 1128 CG2 ILE A 73 4.975 0.885 -0.303 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.028 -1.534 -0.689 1.00 0.00 C ATOM 0 H ILE A 73 8.684 1.063 1.222 1.00 0.00 H new ATOM 0 HA ILE A 73 7.116 2.646 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 73 6.328 0.176 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.036 0.324 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.286 0.173 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.553 -0.100 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.349 1.407 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.014 1.458 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.683 -2.008 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.259 -1.914 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.990 -1.761 -0.932 1.00 0.00 H new ATOM 1141 N HIS A 74 6.263 2.843 2.755 1.00 0.00 N ATOM 1142 CA HIS A 74 5.418 3.594 3.669 1.00 0.00 C ATOM 1143 C HIS A 74 5.492 5.083 3.342 1.00 0.00 C ATOM 1144 O HIS A 74 4.478 5.702 3.019 1.00 0.00 O ATOM 1145 CB HIS A 74 5.803 3.355 5.131 1.00 0.00 C ATOM 1146 CG HIS A 74 4.800 3.916 6.093 1.00 0.00 C ATOM 1147 ND1 HIS A 74 3.863 3.142 6.740 1.00 0.00 N ATOM 1148 CD2 HIS A 74 4.561 5.189 6.481 1.00 0.00 C ATOM 1149 CE1 HIS A 74 3.092 3.916 7.479 1.00 0.00 C ATOM 1150 NE2 HIS A 74 3.490 5.166 7.341 1.00 0.00 N ATOM 0 H HIS A 74 7.004 2.299 3.198 1.00 0.00 H new ATOM 0 HA HIS A 74 4.395 3.242 3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.907 2.284 5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.777 3.805 5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.112 6.065 6.171 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.271 3.582 8.095 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.073 5.978 7.796 1.00 0.00 H new ATOM 1159 N ASP A 75 6.691 5.652 3.387 1.00 0.00 N ATOM 1160 CA ASP A 75 6.854 7.068 3.086 1.00 0.00 C ATOM 1161 C ASP A 75 6.795 7.285 1.579 1.00 0.00 C ATOM 1162 O ASP A 75 6.360 8.332 1.096 1.00 0.00 O ATOM 1163 CB ASP A 75 8.172 7.588 3.662 1.00 0.00 C ATOM 1164 CG ASP A 75 8.084 7.841 5.157 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.221 6.877 5.945 1.00 0.00 O ATOM 1166 OD2 ASP A 75 7.868 9.006 5.553 1.00 0.00 O ATOM 0 H ASP A 75 7.553 5.162 3.626 1.00 0.00 H new ATOM 0 HA ASP A 75 6.041 7.627 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.964 6.865 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.449 8.512 3.154 1.00 0.00 H new ATOM 1171 N ALA A 76 7.202 6.261 0.853 1.00 0.00 N ATOM 1172 CA ALA A 76 7.189 6.262 -0.596 1.00 0.00 C ATOM 1173 C ALA A 76 5.775 6.352 -1.140 1.00 0.00 C ATOM 1174 O ALA A 76 5.532 7.020 -2.117 1.00 0.00 O ATOM 1175 CB ALA A 76 7.864 5.005 -1.122 1.00 0.00 C ATOM 0 H ALA A 76 7.555 5.395 1.259 1.00 0.00 H new ATOM 0 HA ALA A 76 7.737 7.141 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.850 5.013 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.896 4.973 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.330 4.126 -0.759 1.00 0.00 H new ATOM 1181 N ALA A 77 4.834 5.680 -0.516 1.00 0.00 N ATOM 1182 CA ALA A 77 3.480 5.662 -1.035 1.00 0.00 C ATOM 1183 C ALA A 77 2.618 6.741 -0.397 1.00 0.00 C ATOM 1184 O ALA A 77 1.652 7.200 -0.999 1.00 0.00 O ATOM 1185 CB ALA A 77 2.861 4.295 -0.860 1.00 0.00 C ATOM 0 H ALA A 77 4.975 5.144 0.341 1.00 0.00 H new ATOM 0 HA ALA A 77 3.531 5.881 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.845 4.302 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.455 3.555 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.836 4.040 0.199 1.00 0.00 H new ATOM 1191 N THR A 78 2.963 7.157 0.814 1.00 0.00 N ATOM 1192 CA THR A 78 2.258 8.259 1.450 1.00 0.00 C ATOM 1193 C THR A 78 2.665 9.580 0.800 1.00 0.00 C ATOM 1194 O THR A 78 1.820 10.386 0.407 1.00 0.00 O ATOM 1195 CB THR A 78 2.532 8.313 2.971 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.005 7.141 3.606 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.914 9.554 3.605 1.00 0.00 C ATOM 0 H THR A 78 3.717 6.753 1.369 1.00 0.00 H new ATOM 0 HA THR A 78 1.189 8.095 1.311 1.00 0.00 H new ATOM 0 HB THR A 78 3.612 8.357 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.059 7.283 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.126 9.560 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.338 10.447 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.835 9.544 3.449 1.00 0.00 H new ATOM 1205 N ALA A 79 3.970 9.785 0.673 1.00 0.00 N ATOM 1206 CA ALA A 79 4.500 11.015 0.110 1.00 0.00 C ATOM 1207 C ALA A 79 4.828 10.872 -1.366 1.00 0.00 C ATOM 1208 O ALA A 79 5.234 11.841 -2.007 1.00 0.00 O ATOM 1209 CB ALA A 79 5.748 11.442 0.855 1.00 0.00 C ATOM 0 H ALA A 79 4.682 9.111 0.954 1.00 0.00 H new ATOM 0 HA ALA A 79 3.724 11.773 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.133 12.365 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.506 11.608 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.504 10.661 0.776 1.00 0.00 H new ATOM 1215 N CYS A 80 4.674 9.650 -1.891 1.00 0.00 N ATOM 1216 CA CYS A 80 5.117 9.319 -3.238 1.00 0.00 C ATOM 1217 C CYS A 80 6.574 9.699 -3.381 1.00 0.00 C ATOM 1218 O CYS A 80 7.001 10.342 -4.337 1.00 0.00 O ATOM 1219 CB CYS A 80 4.216 9.888 -4.339 1.00 0.00 C ATOM 1220 SG CYS A 80 3.116 11.259 -3.845 1.00 0.00 S ATOM 0 H CYS A 80 4.241 8.872 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 80 5.027 8.242 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.849 10.233 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.601 9.079 -4.732 1.00 0.00 H new ATOM 1225 N ASP A 81 7.322 9.251 -2.378 1.00 0.00 N ATOM 1226 CA ASP A 81 8.729 9.556 -2.222 1.00 0.00 C ATOM 1227 C ASP A 81 9.512 8.267 -2.008 1.00 0.00 C ATOM 1228 O ASP A 81 9.948 7.978 -0.899 1.00 0.00 O ATOM 1229 CB ASP A 81 8.908 10.477 -1.006 1.00 0.00 C ATOM 1230 CG ASP A 81 10.314 11.040 -0.878 1.00 0.00 C ATOM 1231 OD1 ASP A 81 10.696 11.879 -1.720 1.00 0.00 O ATOM 1232 OD2 ASP A 81 11.029 10.676 0.078 1.00 0.00 O ATOM 0 H ASP A 81 6.954 8.653 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 81 9.100 10.053 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.199 11.302 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.663 9.923 -0.100 1.00 0.00 H new