USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 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 88 THR OG1 : rot 180:sc= -0.082 USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.0305 USER MOD Set 2.1: A 82 THR OG1 : rot 88:sc= 0.958 USER MOD Set 2.2: A 87 TYR OH : rot 172:sc= -0.232 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -0.254 F(o=-2.7,f=-0.45) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -0.192 USER MOD Set 4.1: A 35 LYS NZ :NH3+ -153:sc= 1.41 (180deg=-0.274) USER MOD Set 4.2: A 37 SER OG : rot 34:sc= -0.27 USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.479 F(o=-1.5,f=-0.48) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.447 USER MOD Single : A 39 GLN : amide:sc=-0.00813 K(o=-0.0081,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -0.0818 (180deg=-0.143) USER MOD Single : A 45 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.62) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 54 SER OG : rot -150:sc= -0.157 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.45! C(o=-4.4!,f=-6.2!) USER MOD Single : A 63 THR OG1 : rot 51:sc= -0.977 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.7!) 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 78:sc= 0.74 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -173:sc= 0 (180deg=-0.0873) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.23 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= -1.83 K(o=-1.8,f=-7.8!) USER MOD Single : A 101 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.1) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -170:sc= -0.0694 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -154:sc= -0.166 USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.375 -0.189 -13.284 1.00 0.00 N ATOM 203 CA ASP A 16 17.222 0.483 -12.314 1.00 0.00 C ATOM 204 C ASP A 16 16.498 0.546 -10.967 1.00 0.00 C ATOM 205 O ASP A 16 17.086 0.254 -9.927 1.00 0.00 O ATOM 206 CB ASP A 16 17.532 1.916 -12.751 1.00 0.00 C ATOM 207 CG ASP A 16 18.705 2.575 -12.023 1.00 0.00 C ATOM 208 OD1 ASP A 16 18.973 2.151 -10.878 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.308 3.488 -12.628 1.00 0.00 O ATOM 0 HA ASP A 16 18.153 -0.079 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.742 1.916 -13.821 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.642 2.526 -12.601 1.00 0.00 H new ATOM 214 N VAL A 17 15.231 0.930 -11.031 1.00 0.00 N ATOM 215 CA VAL A 17 14.420 1.035 -9.830 1.00 0.00 C ATOM 216 C VAL A 17 14.512 -0.273 -9.042 1.00 0.00 C ATOM 217 O VAL A 17 14.948 -1.293 -9.573 1.00 0.00 O ATOM 218 CB VAL A 17 12.984 1.412 -10.199 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.848 2.922 -10.400 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.520 0.649 -11.441 1.00 0.00 C ATOM 0 H VAL A 17 14.747 1.172 -11.895 1.00 0.00 H new ATOM 0 HA VAL A 17 14.794 1.830 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 17 12.338 1.126 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.818 3.163 -10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.119 3.438 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.511 3.243 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.496 0.935 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.172 0.890 -12.281 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.561 -0.423 -11.246 1.00 0.00 H new ATOM 230 N PRO A 18 14.081 -0.200 -7.754 1.00 0.00 N ATOM 231 CA PRO A 18 14.109 -1.366 -6.887 1.00 0.00 C ATOM 232 C PRO A 18 12.986 -2.341 -7.244 1.00 0.00 C ATOM 233 O PRO A 18 12.203 -2.085 -8.157 1.00 0.00 O ATOM 234 CB PRO A 18 13.990 -0.811 -5.477 1.00 0.00 C ATOM 235 CG PRO A 18 13.433 0.595 -5.628 1.00 0.00 C ATOM 236 CD PRO A 18 13.557 0.991 -7.091 1.00 0.00 C ATOM 0 HA PRO A 18 15.024 -1.949 -6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.330 -1.429 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.960 -0.795 -4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.391 0.629 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.982 1.293 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.592 1.283 -7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.228 1.841 -7.216 1.00 0.00 H new ATOM 244 N GLY A 19 12.943 -3.440 -6.504 1.00 0.00 N ATOM 245 CA GLY A 19 11.928 -4.455 -6.730 1.00 0.00 C ATOM 246 C GLY A 19 10.732 -4.253 -5.797 1.00 0.00 C ATOM 247 O GLY A 19 10.492 -3.144 -5.322 1.00 0.00 O ATOM 0 H GLY A 19 13.595 -3.649 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.595 -4.417 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.356 -5.444 -6.569 1.00 0.00 H new ATOM 251 N PRO A 20 9.996 -5.371 -5.557 1.00 0.00 N ATOM 252 CA PRO A 20 8.831 -5.327 -4.690 1.00 0.00 C ATOM 253 C PRO A 20 9.245 -5.242 -3.219 1.00 0.00 C ATOM 254 O PRO A 20 10.065 -6.033 -2.755 1.00 0.00 O ATOM 255 CB PRO A 20 8.051 -6.590 -5.015 1.00 0.00 C ATOM 256 CG PRO A 20 9.033 -7.519 -5.709 1.00 0.00 C ATOM 257 CD PRO A 20 10.251 -6.700 -6.103 1.00 0.00 C ATOM 0 HA PRO A 20 8.217 -4.442 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.654 -7.048 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.200 -6.369 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.320 -8.335 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.575 -7.970 -6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.166 -7.128 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.373 -6.667 -7.186 1.00 0.00 H new ATOM 265 N VAL A 21 8.660 -4.275 -2.527 1.00 0.00 N ATOM 266 CA VAL A 21 8.959 -4.076 -1.119 1.00 0.00 C ATOM 267 C VAL A 21 8.746 -5.392 -0.367 1.00 0.00 C ATOM 268 O VAL A 21 8.451 -6.419 -0.976 1.00 0.00 O ATOM 269 CB VAL A 21 8.116 -2.927 -0.563 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.603 -1.580 -1.100 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.632 -3.136 -0.871 1.00 0.00 C ATOM 0 H VAL A 21 7.980 -3.621 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 21 10.002 -3.790 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 21 8.235 -2.919 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.987 -0.780 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.641 -1.425 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.528 -1.573 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.056 -2.305 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.488 -3.184 -1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.294 -4.068 -0.418 1.00 0.00 H new ATOM 281 N GLY A 22 8.905 -5.318 0.946 1.00 0.00 N ATOM 282 CA GLY A 22 8.735 -6.490 1.788 1.00 0.00 C ATOM 283 C GLY A 22 7.344 -7.099 1.604 1.00 0.00 C ATOM 284 O GLY A 22 6.642 -6.776 0.646 1.00 0.00 O ATOM 0 H GLY A 22 9.150 -4.464 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.496 -7.231 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.881 -6.216 2.833 1.00 0.00 H new ATOM 288 N HIS A 23 6.986 -7.970 2.536 1.00 0.00 N ATOM 289 CA HIS A 23 5.691 -8.628 2.489 1.00 0.00 C ATOM 290 C HIS A 23 4.618 -7.688 3.041 1.00 0.00 C ATOM 291 O HIS A 23 4.763 -7.149 4.137 1.00 0.00 O ATOM 292 CB HIS A 23 5.737 -9.971 3.220 1.00 0.00 C ATOM 293 CG HIS A 23 5.201 -9.920 4.631 1.00 0.00 C ATOM 294 ND1 HIS A 23 5.608 -9.196 5.714 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 4.122 -10.677 5.051 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 4.819 -9.494 6.738 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 3.897 -10.412 6.330 1.00 0.00 N flip ATOM 0 H HIS A 23 7.570 -8.236 3.329 1.00 0.00 H new ATOM 0 HA HIS A 23 5.430 -8.853 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.164 -10.703 2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.768 -10.324 3.246 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.559 -11.367 4.440 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.895 -9.078 7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.163 -10.823 6.907 1.00 0.00 H new ATOM 305 N LEU A 24 3.564 -7.520 2.256 1.00 0.00 N ATOM 306 CA LEU A 24 2.466 -6.655 2.652 1.00 0.00 C ATOM 307 C LEU A 24 1.888 -7.147 3.981 1.00 0.00 C ATOM 308 O LEU A 24 1.746 -8.351 4.192 1.00 0.00 O ATOM 309 CB LEU A 24 1.430 -6.555 1.530 1.00 0.00 C ATOM 310 CG LEU A 24 1.459 -5.268 0.704 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.750 -4.129 1.438 1.00 0.00 C ATOM 312 CD2 LEU A 24 2.892 -4.897 0.317 1.00 0.00 C ATOM 0 H LEU A 24 3.447 -7.968 1.347 1.00 0.00 H new ATOM 0 HA LEU A 24 2.823 -5.638 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.571 -7.399 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.438 -6.660 1.968 1.00 0.00 H new ATOM 0 HG LEU A 24 0.911 -5.444 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.785 -3.226 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.289 -4.404 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.248 -3.944 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.884 -3.978 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.485 -4.747 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.329 -5.702 -0.275 1.00 0.00 H new ATOM 324 N SER A 25 1.570 -6.192 4.841 1.00 0.00 N ATOM 325 CA SER A 25 1.011 -6.513 6.143 1.00 0.00 C ATOM 326 C SER A 25 -0.107 -5.528 6.490 1.00 0.00 C ATOM 327 O SER A 25 -0.062 -4.366 6.091 1.00 0.00 O ATOM 328 CB SER A 25 2.091 -6.493 7.227 1.00 0.00 C ATOM 329 OG SER A 25 1.630 -7.059 8.451 1.00 0.00 O ATOM 0 H SER A 25 1.689 -5.195 4.662 1.00 0.00 H new ATOM 0 HA SER A 25 0.598 -7.521 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.964 -7.045 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.411 -5.466 7.401 1.00 0.00 H new ATOM 0 HG SER A 25 2.349 -7.029 9.116 1.00 0.00 H new ATOM 335 N PHE A 26 -1.086 -6.029 7.230 1.00 0.00 N ATOM 336 CA PHE A 26 -2.214 -5.208 7.635 1.00 0.00 C ATOM 337 C PHE A 26 -2.587 -5.471 9.095 1.00 0.00 C ATOM 338 O PHE A 26 -2.773 -6.619 9.495 1.00 0.00 O ATOM 339 CB PHE A 26 -3.394 -5.597 6.742 1.00 0.00 C ATOM 340 CG PHE A 26 -3.117 -5.445 5.245 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.471 -4.342 4.781 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.516 -6.414 4.378 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.214 -4.202 3.391 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.259 -6.274 2.988 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.613 -5.171 2.524 1.00 0.00 C ATOM 0 H PHE A 26 -1.121 -6.994 7.559 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.960 -4.153 7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.666 -6.632 6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.255 -4.983 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.153 -3.573 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.028 -7.290 4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.702 -3.326 3.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.577 -7.043 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.417 -5.064 1.467 1.00 0.00 H new ATOM 355 N SER A 27 -2.685 -4.388 9.852 1.00 0.00 N ATOM 356 CA SER A 27 -3.033 -4.487 11.259 1.00 0.00 C ATOM 357 C SER A 27 -4.081 -3.431 11.615 1.00 0.00 C ATOM 358 O SER A 27 -4.407 -2.573 10.795 1.00 0.00 O ATOM 359 CB SER A 27 -1.796 -4.326 12.145 1.00 0.00 C ATOM 360 OG SER A 27 -0.758 -5.233 11.782 1.00 0.00 O ATOM 0 H SER A 27 -2.529 -3.437 9.517 1.00 0.00 H new ATOM 0 HA SER A 27 -3.449 -5.478 11.439 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.427 -3.303 12.070 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.072 -4.489 13.187 1.00 0.00 H new ATOM 0 HG SER A 27 0.015 -5.098 12.370 1.00 0.00 H new ATOM 366 N GLU A 28 -4.581 -3.528 12.838 1.00 0.00 N ATOM 367 CA GLU A 28 -5.586 -2.591 13.313 1.00 0.00 C ATOM 368 C GLU A 28 -6.597 -2.292 12.204 1.00 0.00 C ATOM 369 O GLU A 28 -6.838 -1.131 11.875 1.00 0.00 O ATOM 370 CB GLU A 28 -4.937 -1.304 13.825 1.00 0.00 C ATOM 371 CG GLU A 28 -4.143 -1.563 15.107 1.00 0.00 C ATOM 372 CD GLU A 28 -4.733 -0.785 16.285 1.00 0.00 C ATOM 373 OE1 GLU A 28 -5.808 -1.209 16.763 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.097 0.215 16.680 1.00 0.00 O ATOM 0 H GLU A 28 -4.309 -4.241 13.515 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.116 -3.048 14.148 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.276 -0.896 13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.706 -0.555 14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.147 -2.629 15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.103 -1.273 14.959 1.00 0.00 H new ATOM 381 N ILE A 29 -7.162 -3.359 11.659 1.00 0.00 N ATOM 382 CA ILE A 29 -8.142 -3.225 10.594 1.00 0.00 C ATOM 383 C ILE A 29 -9.530 -3.023 11.207 1.00 0.00 C ATOM 384 O ILE A 29 -9.910 -3.730 12.139 1.00 0.00 O ATOM 385 CB ILE A 29 -8.060 -4.416 9.637 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.613 -4.685 9.221 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.976 -4.212 8.429 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.556 -5.432 7.886 1.00 0.00 C ATOM 0 H ILE A 29 -6.960 -4.320 11.935 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.929 -2.344 9.989 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.414 -5.303 10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.074 -3.742 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.112 -5.271 9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.899 -5.073 7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.007 -4.106 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.676 -3.312 7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.516 -5.611 7.613 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.075 -6.386 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.036 -4.832 7.113 1.00 0.00 H new ATOM 400 N LEU A 30 -10.249 -2.055 10.658 1.00 0.00 N ATOM 401 CA LEU A 30 -11.586 -1.751 11.139 1.00 0.00 C ATOM 402 C LEU A 30 -12.608 -2.134 10.067 1.00 0.00 C ATOM 403 O LEU A 30 -12.658 -3.285 9.635 1.00 0.00 O ATOM 404 CB LEU A 30 -11.677 -0.289 11.580 1.00 0.00 C ATOM 405 CG LEU A 30 -10.842 0.096 12.803 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.172 -0.803 13.997 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.348 0.084 12.473 1.00 0.00 C ATOM 0 H LEU A 30 -9.931 -1.471 9.885 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.816 -2.342 12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.373 0.341 10.744 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.721 -0.058 11.790 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.101 1.116 13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.565 -0.508 14.853 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.228 -0.701 14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.959 -1.841 13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.777 0.361 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.055 -0.915 12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.146 0.797 11.674 1.00 0.00 H new ATOM 419 N ASP A 31 -13.398 -1.148 9.668 1.00 0.00 N ATOM 420 CA ASP A 31 -14.416 -1.368 8.655 1.00 0.00 C ATOM 421 C ASP A 31 -14.035 -0.609 7.382 1.00 0.00 C ATOM 422 O ASP A 31 -14.368 -1.035 6.277 1.00 0.00 O ATOM 423 CB ASP A 31 -15.779 -0.853 9.122 1.00 0.00 C ATOM 424 CG ASP A 31 -15.822 0.635 9.473 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.807 1.120 10.018 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.869 1.255 9.189 1.00 0.00 O ATOM 0 H ASP A 31 -13.354 -0.195 10.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.480 -2.440 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.512 -1.048 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.087 -1.426 9.996 1.00 0.00 H new ATOM 431 N THR A 32 -13.341 0.503 7.580 1.00 0.00 N ATOM 432 CA THR A 32 -12.911 1.326 6.462 1.00 0.00 C ATOM 433 C THR A 32 -11.551 1.959 6.758 1.00 0.00 C ATOM 434 O THR A 32 -11.154 2.921 6.103 1.00 0.00 O ATOM 435 CB THR A 32 -14.011 2.352 6.180 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.004 3.193 7.330 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.408 1.729 6.183 1.00 0.00 C ATOM 0 H THR A 32 -13.066 0.853 8.498 1.00 0.00 H new ATOM 0 HA THR A 32 -12.766 0.727 5.563 1.00 0.00 H new ATOM 0 HB THR A 32 -13.827 2.825 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.687 3.889 7.231 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.151 2.500 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.464 0.958 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.606 1.285 7.158 1.00 0.00 H new ATOM 445 N SER A 33 -10.873 1.394 7.747 1.00 0.00 N ATOM 446 CA SER A 33 -9.565 1.891 8.138 1.00 0.00 C ATOM 447 C SER A 33 -8.668 0.727 8.564 1.00 0.00 C ATOM 448 O SER A 33 -9.074 -0.112 9.367 1.00 0.00 O ATOM 449 CB SER A 33 -9.681 2.914 9.270 1.00 0.00 C ATOM 450 OG SER A 33 -10.625 2.511 10.258 1.00 0.00 O ATOM 0 H SER A 33 -11.206 0.597 8.289 1.00 0.00 H new ATOM 0 HA SER A 33 -9.118 2.390 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.705 3.052 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.977 3.879 8.858 1.00 0.00 H new ATOM 0 HG SER A 33 -10.669 3.189 10.964 1.00 0.00 H new ATOM 456 N LEU A 34 -7.466 0.713 8.006 1.00 0.00 N ATOM 457 CA LEU A 34 -6.509 -0.335 8.318 1.00 0.00 C ATOM 458 C LEU A 34 -5.090 0.219 8.177 1.00 0.00 C ATOM 459 O LEU A 34 -4.852 1.133 7.389 1.00 0.00 O ATOM 460 CB LEU A 34 -6.774 -1.575 7.462 1.00 0.00 C ATOM 461 CG LEU A 34 -6.715 -1.369 5.947 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.267 -1.330 5.454 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.541 -2.430 5.217 1.00 0.00 C ATOM 0 H LEU A 34 -7.133 1.410 7.340 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.623 -0.661 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.048 -2.341 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.759 -1.965 7.718 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.159 -0.400 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.254 -1.183 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.740 -0.508 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.774 -2.271 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.482 -2.261 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.149 -3.420 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.581 -2.366 5.538 1.00 0.00 H new ATOM 475 N LYS A 35 -4.184 -0.358 8.952 1.00 0.00 N ATOM 476 CA LYS A 35 -2.794 0.066 8.923 1.00 0.00 C ATOM 477 C LYS A 35 -2.007 -0.845 7.979 1.00 0.00 C ATOM 478 O LYS A 35 -2.039 -2.067 8.119 1.00 0.00 O ATOM 479 CB LYS A 35 -2.222 0.124 10.341 1.00 0.00 C ATOM 480 CG LYS A 35 -0.926 0.936 10.376 1.00 0.00 C ATOM 481 CD LYS A 35 0.239 0.088 10.892 1.00 0.00 C ATOM 482 CE LYS A 35 0.758 -0.851 9.801 1.00 0.00 C ATOM 483 NZ LYS A 35 0.253 -2.225 10.016 1.00 0.00 N ATOM 0 H LYS A 35 -4.385 -1.116 9.604 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.713 1.079 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.954 0.571 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.032 -0.887 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.697 1.305 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.057 1.809 11.016 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.045 0.739 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.084 -0.494 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.442 -0.490 8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.848 -0.853 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.920 -2.908 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.160 -2.405 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.676 -2.329 9.560 1.00 0.00 H new ATOM 497 N VAL A 36 -1.318 -0.216 7.039 1.00 0.00 N ATOM 498 CA VAL A 36 -0.524 -0.955 6.072 1.00 0.00 C ATOM 499 C VAL A 36 0.942 -0.945 6.510 1.00 0.00 C ATOM 500 O VAL A 36 1.456 0.082 6.951 1.00 0.00 O ATOM 501 CB VAL A 36 -0.733 -0.376 4.671 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.203 -1.038 3.659 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.194 -0.509 4.236 1.00 0.00 C ATOM 0 H VAL A 36 -1.293 0.797 6.926 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.845 -1.996 6.030 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.489 0.686 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.034 -0.608 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.238 -0.869 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.005 -2.109 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.316 -0.090 3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.476 -1.562 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.833 0.030 4.936 1.00 0.00 H new ATOM 513 N SER A 37 1.575 -2.101 6.372 1.00 0.00 N ATOM 514 CA SER A 37 2.972 -2.239 6.748 1.00 0.00 C ATOM 515 C SER A 37 3.715 -3.074 5.703 1.00 0.00 C ATOM 516 O SER A 37 3.164 -4.032 5.163 1.00 0.00 O ATOM 517 CB SER A 37 3.110 -2.877 8.132 1.00 0.00 C ATOM 518 OG SER A 37 1.898 -3.494 8.558 1.00 0.00 O ATOM 0 H SER A 37 1.146 -2.951 6.005 1.00 0.00 H new ATOM 0 HA SER A 37 3.414 -1.244 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.907 -3.620 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.403 -2.116 8.855 1.00 0.00 H new ATOM 0 HG SER A 37 1.432 -3.871 7.782 1.00 0.00 H new ATOM 524 N TRP A 38 4.954 -2.680 5.449 1.00 0.00 N ATOM 525 CA TRP A 38 5.778 -3.380 4.478 1.00 0.00 C ATOM 526 C TRP A 38 7.234 -3.282 4.936 1.00 0.00 C ATOM 527 O TRP A 38 7.532 -2.628 5.934 1.00 0.00 O ATOM 528 CB TRP A 38 5.556 -2.825 3.069 1.00 0.00 C ATOM 529 CG TRP A 38 5.902 -1.342 2.923 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.095 -0.796 2.651 1.00 0.00 C ATOM 531 CD2 TRP A 38 4.991 -0.230 3.052 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.021 0.581 2.596 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.701 0.936 2.847 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.614 -0.210 3.332 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.117 2.208 2.901 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.046 1.069 3.382 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.746 2.252 3.179 1.00 0.00 C ATOM 0 H TRP A 38 5.408 -1.885 5.899 1.00 0.00 H new ATOM 0 HA TRP A 38 5.500 -4.433 4.423 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.158 -3.399 2.364 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.512 -2.973 2.791 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.001 -1.363 2.494 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.793 1.220 2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.039 -1.110 3.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.694 3.106 2.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.989 1.141 3.593 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.234 3.201 3.235 1.00 0.00 H new ATOM 548 N GLN A 39 8.103 -3.943 4.185 1.00 0.00 N ATOM 549 CA GLN A 39 9.521 -3.939 4.502 1.00 0.00 C ATOM 550 C GLN A 39 10.334 -3.474 3.292 1.00 0.00 C ATOM 551 O GLN A 39 9.770 -3.147 2.249 1.00 0.00 O ATOM 552 CB GLN A 39 9.981 -5.319 4.974 1.00 0.00 C ATOM 553 CG GLN A 39 10.324 -5.303 6.465 1.00 0.00 C ATOM 554 CD GLN A 39 10.545 -6.722 6.992 1.00 0.00 C ATOM 555 OE1 GLN A 39 10.183 -7.707 6.370 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.158 -6.772 8.172 1.00 0.00 N ATOM 0 H GLN A 39 7.852 -4.485 3.358 1.00 0.00 H new ATOM 0 HA GLN A 39 9.689 -3.237 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.196 -6.052 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.853 -5.631 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.221 -4.706 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.518 -4.826 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.435 -5.909 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.351 -7.673 8.609 1.00 0.00 H new ATOM 565 N GLU A 40 11.647 -3.459 3.471 1.00 0.00 N ATOM 566 CA GLU A 40 12.543 -3.040 2.407 1.00 0.00 C ATOM 567 C GLU A 40 12.727 -4.169 1.392 1.00 0.00 C ATOM 568 O GLU A 40 12.760 -5.342 1.762 1.00 0.00 O ATOM 569 CB GLU A 40 13.890 -2.586 2.972 1.00 0.00 C ATOM 570 CG GLU A 40 14.072 -1.075 2.810 1.00 0.00 C ATOM 571 CD GLU A 40 15.144 -0.546 3.765 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.262 -1.128 4.865 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.823 0.428 3.373 1.00 0.00 O ATOM 0 H GLU A 40 12.112 -3.730 4.337 1.00 0.00 H new ATOM 0 HA GLU A 40 12.095 -2.188 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.954 -2.852 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.698 -3.110 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.352 -0.847 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.126 -0.569 3.003 1.00 0.00 H new ATOM 580 N PRO A 41 12.844 -3.766 0.098 1.00 0.00 N ATOM 581 CA PRO A 41 13.023 -4.731 -0.973 1.00 0.00 C ATOM 582 C PRO A 41 14.450 -5.284 -0.980 1.00 0.00 C ATOM 583 O PRO A 41 15.380 -4.616 -0.532 1.00 0.00 O ATOM 584 CB PRO A 41 12.673 -3.976 -2.245 1.00 0.00 C ATOM 585 CG PRO A 41 12.760 -2.500 -1.892 1.00 0.00 C ATOM 586 CD PRO A 41 12.809 -2.386 -0.377 1.00 0.00 C ATOM 0 HA PRO A 41 12.387 -5.609 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.364 -4.226 -3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.673 -4.236 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.648 -2.053 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.899 -1.961 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.689 -1.832 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.938 -1.857 0.009 1.00 0.00 H new ATOM 594 N GLY A 42 14.577 -6.498 -1.493 1.00 0.00 N ATOM 595 CA GLY A 42 15.875 -7.149 -1.564 1.00 0.00 C ATOM 596 C GLY A 42 16.671 -6.653 -2.773 1.00 0.00 C ATOM 597 O GLY A 42 17.894 -6.781 -2.811 1.00 0.00 O ATOM 0 H GLY A 42 13.803 -7.049 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.435 -6.952 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.741 -8.229 -1.630 1.00 0.00 H new ATOM 601 N GLU A 43 15.945 -6.097 -3.732 1.00 0.00 N ATOM 602 CA GLU A 43 16.568 -5.581 -4.939 1.00 0.00 C ATOM 603 C GLU A 43 16.577 -4.051 -4.920 1.00 0.00 C ATOM 604 O GLU A 43 16.264 -3.413 -5.924 1.00 0.00 O ATOM 605 CB GLU A 43 15.862 -6.110 -6.189 1.00 0.00 C ATOM 606 CG GLU A 43 14.435 -6.557 -5.866 1.00 0.00 C ATOM 607 CD GLU A 43 14.437 -7.868 -5.076 1.00 0.00 C ATOM 608 OE1 GLU A 43 14.820 -8.893 -5.680 1.00 0.00 O ATOM 609 OE2 GLU A 43 14.054 -7.814 -3.887 1.00 0.00 O ATOM 0 H GLU A 43 14.931 -5.993 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 43 17.600 -5.930 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.839 -5.334 -6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.425 -6.948 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.929 -5.782 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.872 -6.686 -6.791 1.00 0.00 H new ATOM 616 N LYS A 44 16.939 -3.508 -3.767 1.00 0.00 N ATOM 617 CA LYS A 44 16.993 -2.065 -3.604 1.00 0.00 C ATOM 618 C LYS A 44 17.579 -1.435 -4.869 1.00 0.00 C ATOM 619 O LYS A 44 17.118 -0.386 -5.316 1.00 0.00 O ATOM 620 CB LYS A 44 17.749 -1.698 -2.326 1.00 0.00 C ATOM 621 CG LYS A 44 17.003 -2.193 -1.086 1.00 0.00 C ATOM 622 CD LYS A 44 17.653 -1.662 0.193 1.00 0.00 C ATOM 623 CE LYS A 44 16.799 -1.991 1.420 1.00 0.00 C ATOM 624 NZ LYS A 44 17.292 -3.221 2.080 1.00 0.00 N ATOM 0 H LYS A 44 17.198 -4.041 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 44 15.990 -1.657 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.748 -2.134 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.875 -0.617 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.963 -1.871 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.999 -3.283 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.645 -2.098 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.786 -0.583 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.826 -1.158 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.759 -2.123 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.780 -3.365 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.134 -4.037 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.309 -3.126 2.276 1.00 0.00 H new ATOM 638 N ASN A 45 18.588 -2.102 -5.411 1.00 0.00 N ATOM 639 CA ASN A 45 19.243 -1.620 -6.615 1.00 0.00 C ATOM 640 C ASN A 45 19.730 -0.187 -6.388 1.00 0.00 C ATOM 641 O ASN A 45 20.006 0.537 -7.342 1.00 0.00 O ATOM 642 CB ASN A 45 18.276 -1.608 -7.800 1.00 0.00 C ATOM 643 CG ASN A 45 18.241 -2.972 -8.493 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.189 -3.395 -9.135 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.099 -3.633 -8.329 1.00 0.00 N ATOM 0 H ASN A 45 18.968 -2.972 -5.038 1.00 0.00 H new ATOM 0 HA ASN A 45 20.076 -2.287 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.276 -1.346 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.579 -0.841 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.977 -4.553 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.345 -3.221 -7.779 1.00 0.00 H new ATOM 652 N GLY A 46 19.820 0.178 -5.117 1.00 0.00 N ATOM 653 CA GLY A 46 20.268 1.511 -4.752 1.00 0.00 C ATOM 654 C GLY A 46 19.720 1.919 -3.383 1.00 0.00 C ATOM 655 O GLY A 46 19.626 1.093 -2.477 1.00 0.00 O ATOM 0 H GLY A 46 19.590 -0.426 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.357 1.540 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.942 2.227 -5.506 1.00 0.00 H new ATOM 659 N ILE A 47 19.371 3.193 -3.276 1.00 0.00 N ATOM 660 CA ILE A 47 18.835 3.720 -2.033 1.00 0.00 C ATOM 661 C ILE A 47 17.425 4.261 -2.280 1.00 0.00 C ATOM 662 O ILE A 47 17.207 5.032 -3.213 1.00 0.00 O ATOM 663 CB ILE A 47 19.792 4.750 -1.431 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.026 4.070 -0.834 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.074 5.633 -0.408 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.623 2.949 0.126 1.00 0.00 C ATOM 0 H ILE A 47 19.449 3.875 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 47 18.748 2.928 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 47 20.140 5.402 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.645 3.664 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.632 4.806 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.777 6.357 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.254 6.161 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.679 5.011 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.518 2.482 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.025 3.363 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.038 2.202 -0.411 1.00 0.00 H new ATOM 678 N LEU A 48 16.504 3.835 -1.428 1.00 0.00 N ATOM 679 CA LEU A 48 15.122 4.267 -1.542 1.00 0.00 C ATOM 680 C LEU A 48 14.975 5.660 -0.927 1.00 0.00 C ATOM 681 O LEU A 48 15.483 5.918 0.163 1.00 0.00 O ATOM 682 CB LEU A 48 14.183 3.224 -0.932 1.00 0.00 C ATOM 683 CG LEU A 48 14.595 1.762 -1.116 1.00 0.00 C ATOM 684 CD1 LEU A 48 15.227 1.539 -2.491 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.513 1.304 0.019 1.00 0.00 C ATOM 0 H LEU A 48 16.688 3.195 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 48 14.834 4.349 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.094 3.424 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.192 3.359 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 48 13.697 1.146 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.511 0.492 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.509 1.800 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.113 2.166 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.791 0.262 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.411 1.921 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.992 1.403 0.971 1.00 0.00 H new ATOM 697 N THR A 49 14.278 6.522 -1.653 1.00 0.00 N ATOM 698 CA THR A 49 14.058 7.882 -1.193 1.00 0.00 C ATOM 699 C THR A 49 12.619 8.052 -0.700 1.00 0.00 C ATOM 700 O THR A 49 12.229 9.139 -0.277 1.00 0.00 O ATOM 701 CB THR A 49 14.425 8.833 -2.335 1.00 0.00 C ATOM 702 OG1 THR A 49 13.620 8.393 -3.425 1.00 0.00 O ATOM 703 CG2 THR A 49 15.860 8.630 -2.826 1.00 0.00 C ATOM 0 H THR A 49 13.858 6.304 -2.557 1.00 0.00 H new ATOM 0 HA THR A 49 14.692 8.118 -0.338 1.00 0.00 H new ATOM 0 HB THR A 49 14.296 9.864 -2.005 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.793 8.956 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.070 9.329 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.554 8.808 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.980 7.609 -3.188 1.00 0.00 H new ATOM 711 N GLY A 50 11.870 6.962 -0.771 1.00 0.00 N ATOM 712 CA GLY A 50 10.484 6.976 -0.337 1.00 0.00 C ATOM 713 C GLY A 50 9.738 5.740 -0.844 1.00 0.00 C ATOM 714 O GLY A 50 10.325 4.882 -1.500 1.00 0.00 O ATOM 0 H GLY A 50 12.197 6.062 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.440 7.010 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.993 7.877 -0.704 1.00 0.00 H new ATOM 718 N TYR A 51 8.454 5.690 -0.519 1.00 0.00 N ATOM 719 CA TYR A 51 7.621 4.573 -0.933 1.00 0.00 C ATOM 720 C TYR A 51 6.243 5.056 -1.389 1.00 0.00 C ATOM 721 O TYR A 51 5.586 5.822 -0.686 1.00 0.00 O ATOM 722 CB TYR A 51 7.455 3.689 0.305 1.00 0.00 C ATOM 723 CG TYR A 51 8.768 3.112 0.838 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.335 2.011 0.231 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.385 3.694 1.927 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.570 1.468 0.733 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.621 3.151 2.429 1.00 0.00 C ATOM 728 CZ TYR A 51 11.152 2.065 1.807 1.00 0.00 C ATOM 729 OH TYR A 51 12.319 1.552 2.282 1.00 0.00 O ATOM 0 H TYR A 51 7.971 6.404 0.026 1.00 0.00 H new ATOM 0 HA TYR A 51 8.079 4.042 -1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.979 4.272 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.780 2.868 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.852 1.556 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.941 4.556 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.024 0.606 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.115 3.596 3.280 1.00 0.00 H new ATOM 0 HH TYR A 51 12.620 2.080 3.051 1.00 0.00 H new ATOM 739 N ARG A 52 5.846 4.589 -2.563 1.00 0.00 N ATOM 740 CA ARG A 52 4.558 4.964 -3.121 1.00 0.00 C ATOM 741 C ARG A 52 3.491 3.939 -2.730 1.00 0.00 C ATOM 742 O ARG A 52 3.550 2.785 -3.153 1.00 0.00 O ATOM 743 CB ARG A 52 4.626 5.062 -4.647 1.00 0.00 C ATOM 744 CG ARG A 52 3.244 5.343 -5.240 1.00 0.00 C ATOM 745 CD ARG A 52 3.310 6.467 -6.277 1.00 0.00 C ATOM 746 NE ARG A 52 3.037 5.926 -7.627 1.00 0.00 N ATOM 747 CZ ARG A 52 3.244 6.604 -8.764 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.728 7.853 -8.720 1.00 0.00 N ATOM 749 NH2 ARG A 52 2.967 6.034 -9.944 1.00 0.00 N ATOM 0 H ARG A 52 6.394 3.954 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 52 4.294 5.941 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.317 5.855 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.020 4.132 -5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.853 4.438 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.552 5.618 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.583 7.242 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.294 6.935 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 52 2.668 4.978 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.939 8.287 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.886 8.370 -9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.598 5.084 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.125 6.550 -10.809 1.00 0.00 H new ATOM 763 N ILE A 53 2.541 4.397 -1.928 1.00 0.00 N ATOM 764 CA ILE A 53 1.464 3.534 -1.476 1.00 0.00 C ATOM 765 C ILE A 53 0.191 3.860 -2.261 1.00 0.00 C ATOM 766 O ILE A 53 -0.039 5.011 -2.627 1.00 0.00 O ATOM 767 CB ILE A 53 1.294 3.639 0.041 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.082 2.834 0.515 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.220 5.102 0.485 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.186 2.513 2.007 1.00 0.00 C ATOM 0 H ILE A 53 2.495 5.355 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 53 1.704 2.490 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 53 2.174 3.203 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.831 3.398 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.010 1.908 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.099 5.148 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.138 5.616 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.370 5.586 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.688 1.940 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.087 1.928 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.233 3.441 2.576 1.00 0.00 H new ATOM 782 N SER A 54 -0.602 2.825 -2.496 1.00 0.00 N ATOM 783 CA SER A 54 -1.845 2.987 -3.231 1.00 0.00 C ATOM 784 C SER A 54 -2.851 1.919 -2.799 1.00 0.00 C ATOM 785 O SER A 54 -2.678 0.739 -3.101 1.00 0.00 O ATOM 786 CB SER A 54 -1.606 2.911 -4.741 1.00 0.00 C ATOM 787 OG SER A 54 -0.237 3.122 -5.076 1.00 0.00 O ATOM 0 H SER A 54 -0.408 1.871 -2.191 1.00 0.00 H new ATOM 0 HA SER A 54 -2.251 3.973 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.923 1.936 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.221 3.657 -5.244 1.00 0.00 H new ATOM 0 HG SER A 54 -0.177 3.532 -5.964 1.00 0.00 H new ATOM 793 N TRP A 55 -3.881 2.371 -2.098 1.00 0.00 N ATOM 794 CA TRP A 55 -4.915 1.469 -1.621 1.00 0.00 C ATOM 795 C TRP A 55 -6.126 1.607 -2.545 1.00 0.00 C ATOM 796 O TRP A 55 -6.421 2.699 -3.030 1.00 0.00 O ATOM 797 CB TRP A 55 -5.248 1.744 -0.153 1.00 0.00 C ATOM 798 CG TRP A 55 -5.916 3.099 0.090 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.158 3.478 -0.242 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.324 4.246 0.734 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.409 4.780 0.140 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.257 5.262 0.752 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.041 4.420 1.283 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.008 6.523 1.308 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.807 5.686 1.834 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.736 6.719 1.860 1.00 0.00 C ATOM 0 H TRP A 55 -4.021 3.350 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.570 0.436 -1.652 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.905 0.955 0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.330 1.692 0.433 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.873 2.844 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.279 5.294 -0.001 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.295 3.639 1.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.756 7.302 1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.836 5.873 2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.478 7.669 2.304 1.00 0.00 H new ATOM 817 N GLU A 56 -6.796 0.485 -2.762 1.00 0.00 N ATOM 818 CA GLU A 56 -7.969 0.467 -3.620 1.00 0.00 C ATOM 819 C GLU A 56 -8.773 -0.815 -3.394 1.00 0.00 C ATOM 820 O GLU A 56 -8.244 -1.802 -2.885 1.00 0.00 O ATOM 821 CB GLU A 56 -7.575 0.615 -5.091 1.00 0.00 C ATOM 822 CG GLU A 56 -7.062 -0.711 -5.657 1.00 0.00 C ATOM 823 CD GLU A 56 -5.661 -0.549 -6.249 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.760 -0.155 -5.476 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.521 -0.822 -7.460 1.00 0.00 O ATOM 0 H GLU A 56 -6.549 -0.419 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.598 1.318 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.435 0.953 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.804 1.379 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.043 -1.464 -4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.746 -1.071 -6.425 1.00 0.00 H new ATOM 832 N GLU A 57 -10.038 -0.758 -3.783 1.00 0.00 N ATOM 833 CA GLU A 57 -10.920 -1.903 -3.629 1.00 0.00 C ATOM 834 C GLU A 57 -10.315 -3.134 -4.305 1.00 0.00 C ATOM 835 O GLU A 57 -9.157 -3.113 -4.720 1.00 0.00 O ATOM 836 CB GLU A 57 -12.313 -1.601 -4.186 1.00 0.00 C ATOM 837 CG GLU A 57 -13.288 -1.246 -3.061 1.00 0.00 C ATOM 838 CD GLU A 57 -14.706 -1.709 -3.399 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.910 -2.942 -3.424 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.555 -0.820 -3.625 1.00 0.00 O ATOM 0 H GLU A 57 -10.473 0.063 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.028 -2.113 -2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.254 -0.775 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.685 -2.466 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.961 -1.712 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.283 -0.168 -2.897 1.00 0.00 H new ATOM 847 N TYR A 58 -11.125 -4.179 -4.395 1.00 0.00 N ATOM 848 CA TYR A 58 -10.683 -5.417 -5.014 1.00 0.00 C ATOM 849 C TYR A 58 -10.477 -5.235 -6.519 1.00 0.00 C ATOM 850 O TYR A 58 -9.366 -5.400 -7.021 1.00 0.00 O ATOM 851 CB TYR A 58 -11.809 -6.428 -4.784 1.00 0.00 C ATOM 852 CG TYR A 58 -11.743 -7.651 -5.701 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.648 -8.490 -5.654 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.778 -7.916 -6.574 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.586 -9.642 -6.516 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.716 -9.068 -7.436 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.623 -9.874 -7.365 1.00 0.00 C ATOM 858 OH TYR A 58 -11.564 -10.961 -8.179 1.00 0.00 O ATOM 0 H TYR A 58 -12.085 -4.194 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.734 -5.742 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.778 -6.762 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.767 -5.929 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.838 -8.283 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.635 -7.259 -6.611 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.735 -10.307 -6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.520 -9.287 -8.123 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.374 -11.001 -8.730 1.00 0.00 H new ATOM 868 N ASN A 59 -11.564 -4.897 -7.196 1.00 0.00 N ATOM 869 CA ASN A 59 -11.516 -4.690 -8.634 1.00 0.00 C ATOM 870 C ASN A 59 -12.042 -3.292 -8.961 1.00 0.00 C ATOM 871 O ASN A 59 -13.113 -3.149 -9.550 1.00 0.00 O ATOM 872 CB ASN A 59 -12.392 -5.709 -9.366 1.00 0.00 C ATOM 873 CG ASN A 59 -11.832 -6.015 -10.756 1.00 0.00 C ATOM 874 OD1 ASN A 59 -10.815 -5.485 -11.175 1.00 0.00 O ATOM 875 ND2 ASN A 59 -12.549 -6.897 -11.447 1.00 0.00 N ATOM 0 H ASN A 59 -12.484 -4.761 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.482 -4.805 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.451 -6.628 -8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.407 -5.323 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.257 -7.167 -12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.390 -7.303 -11.037 1.00 0.00 H new ATOM 882 N ARG A 60 -11.264 -2.294 -8.566 1.00 0.00 N ATOM 883 CA ARG A 60 -11.639 -0.912 -8.811 1.00 0.00 C ATOM 884 C ARG A 60 -10.398 -0.016 -8.800 1.00 0.00 C ATOM 885 O ARG A 60 -9.756 0.149 -7.764 1.00 0.00 O ATOM 886 CB ARG A 60 -12.627 -0.414 -7.755 1.00 0.00 C ATOM 887 CG ARG A 60 -13.904 -1.258 -7.757 1.00 0.00 C ATOM 888 CD ARG A 60 -14.901 -0.746 -6.716 1.00 0.00 C ATOM 889 NE ARG A 60 -16.230 -0.554 -7.339 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.027 -1.556 -7.732 1.00 0.00 C ATOM 891 NH1 ARG A 60 -16.636 -2.827 -7.568 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.217 -1.288 -8.288 1.00 0.00 N ATOM 0 H ARG A 60 -10.376 -2.415 -8.078 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.117 -0.866 -9.790 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.162 -0.454 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.876 0.629 -7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.360 -1.231 -8.747 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.657 -2.299 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.976 -1.456 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.548 0.195 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.559 0.401 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.731 -3.032 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.243 -3.590 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.516 -0.321 -8.412 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.824 -2.051 -8.587 1.00 0.00 H new ATOM 906 N THR A 61 -10.098 0.538 -9.966 1.00 0.00 N ATOM 907 CA THR A 61 -8.945 1.412 -10.104 1.00 0.00 C ATOM 908 C THR A 61 -9.337 2.862 -9.809 1.00 0.00 C ATOM 909 O THR A 61 -8.489 3.678 -9.454 1.00 0.00 O ATOM 910 CB THR A 61 -8.366 1.213 -11.506 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.317 -0.203 -11.663 1.00 0.00 O ATOM 912 CG2 THR A 61 -6.903 1.649 -11.602 1.00 0.00 C ATOM 0 H THR A 61 -10.633 0.399 -10.823 1.00 0.00 H new ATOM 0 HA THR A 61 -8.171 1.163 -9.378 1.00 0.00 H new ATOM 0 HB THR A 61 -8.960 1.774 -12.227 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.955 -0.422 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.541 1.487 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.821 2.707 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.303 1.064 -10.905 1.00 0.00 H new ATOM 920 N ASN A 62 -10.624 3.137 -9.968 1.00 0.00 N ATOM 921 CA ASN A 62 -11.138 4.474 -9.723 1.00 0.00 C ATOM 922 C ASN A 62 -11.039 4.788 -8.229 1.00 0.00 C ATOM 923 O ASN A 62 -11.121 5.949 -7.829 1.00 0.00 O ATOM 924 CB ASN A 62 -12.609 4.581 -10.132 1.00 0.00 C ATOM 925 CG ASN A 62 -13.456 3.529 -9.413 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.866 3.695 -8.276 1.00 0.00 O ATOM 927 ND2 ASN A 62 -13.694 2.439 -10.138 1.00 0.00 N ATOM 0 H ASN A 62 -11.325 2.457 -10.263 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.547 5.176 -10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.984 5.577 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.701 4.452 -11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.250 1.678 -9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.321 2.364 -11.084 1.00 0.00 H new ATOM 934 N THR A 63 -10.862 3.735 -7.446 1.00 0.00 N ATOM 935 CA THR A 63 -10.750 3.884 -6.005 1.00 0.00 C ATOM 936 C THR A 63 -9.298 3.703 -5.561 1.00 0.00 C ATOM 937 O THR A 63 -9.032 3.097 -4.524 1.00 0.00 O ATOM 938 CB THR A 63 -11.714 2.892 -5.350 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.639 1.736 -6.180 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.174 3.336 -5.459 1.00 0.00 C ATOM 0 H THR A 63 -10.793 2.774 -7.782 1.00 0.00 H new ATOM 0 HA THR A 63 -11.030 4.889 -5.689 1.00 0.00 H new ATOM 0 HB THR A 63 -11.450 2.768 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.700 1.488 -6.311 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.816 2.597 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.299 4.300 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.449 3.427 -6.510 1.00 0.00 H new ATOM 948 N ARG A 64 -8.394 4.239 -6.368 1.00 0.00 N ATOM 949 CA ARG A 64 -6.975 4.144 -6.072 1.00 0.00 C ATOM 950 C ARG A 64 -6.465 5.463 -5.488 1.00 0.00 C ATOM 951 O ARG A 64 -6.873 6.539 -5.926 1.00 0.00 O ATOM 952 CB ARG A 64 -6.171 3.807 -7.329 1.00 0.00 C ATOM 953 CG ARG A 64 -5.006 2.872 -7.000 1.00 0.00 C ATOM 954 CD ARG A 64 -4.173 2.573 -8.249 1.00 0.00 C ATOM 955 NE ARG A 64 -2.751 2.395 -7.878 1.00 0.00 N ATOM 956 CZ ARG A 64 -1.841 1.794 -8.657 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.199 1.311 -9.855 1.00 0.00 N ATOM 958 NH2 ARG A 64 -0.574 1.677 -8.239 1.00 0.00 N ATOM 0 H ARG A 64 -8.617 4.741 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.842 3.344 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.822 3.337 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.790 4.724 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.374 3.327 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.389 1.941 -6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.545 1.673 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.271 3.388 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.445 2.752 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.164 1.401 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.507 0.854 -10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.302 2.045 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.118 1.220 -8.832 1.00 0.00 H new ATOM 972 N VAL A 65 -5.581 5.338 -4.509 1.00 0.00 N ATOM 973 CA VAL A 65 -5.012 6.507 -3.861 1.00 0.00 C ATOM 974 C VAL A 65 -3.522 6.596 -4.198 1.00 0.00 C ATOM 975 O VAL A 65 -2.912 5.607 -4.601 1.00 0.00 O ATOM 976 CB VAL A 65 -5.282 6.455 -2.356 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.756 7.712 -1.661 1.00 0.00 C ATOM 978 CG2 VAL A 65 -6.772 6.255 -2.074 1.00 0.00 C ATOM 0 H VAL A 65 -5.245 4.445 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.485 7.417 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.746 5.598 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.961 7.650 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.681 7.793 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.251 8.591 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.937 6.221 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.338 7.082 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.104 5.318 -2.521 1.00 0.00 H new ATOM 988 N THR A 66 -2.978 7.792 -4.021 1.00 0.00 N ATOM 989 CA THR A 66 -1.571 8.023 -4.301 1.00 0.00 C ATOM 990 C THR A 66 -0.933 8.846 -3.181 1.00 0.00 C ATOM 991 O THR A 66 -1.094 10.065 -3.132 1.00 0.00 O ATOM 992 CB THR A 66 -1.466 8.684 -5.677 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.046 7.733 -6.565 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.018 8.808 -6.158 1.00 0.00 C ATOM 0 H THR A 66 -3.487 8.611 -3.687 1.00 0.00 H new ATOM 0 HA THR A 66 -1.014 7.087 -4.331 1.00 0.00 H new ATOM 0 HB THR A 66 -1.923 9.673 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.021 8.082 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.000 9.283 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.550 9.413 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.429 7.816 -6.227 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.221 8.148 -2.309 1.00 0.00 N ATOM 1003 CA HIS A 67 0.442 8.799 -1.192 1.00 0.00 C ATOM 1004 C HIS A 67 1.956 8.618 -1.318 1.00 0.00 C ATOM 1005 O HIS A 67 2.421 7.674 -1.956 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.107 8.285 0.141 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.223 9.128 0.711 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.317 8.779 1.447 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.286 10.500 0.543 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.010 9.878 1.715 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.373 10.947 1.155 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.089 7.138 -2.353 1.00 0.00 H new ATOM 0 HA HIS A 67 0.235 9.869 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.469 7.266 0.005 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.707 8.240 0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.561 7.833 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.571 11.104 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.928 9.920 2.283 1.00 0.00 H new ATOM 1019 N TYR A 68 2.683 9.537 -0.701 1.00 0.00 N ATOM 1020 CA TYR A 68 4.135 9.491 -0.736 1.00 0.00 C ATOM 1021 C TYR A 68 4.718 9.486 0.678 1.00 0.00 C ATOM 1022 O TYR A 68 4.329 10.298 1.517 1.00 0.00 O ATOM 1023 CB TYR A 68 4.580 10.767 -1.454 1.00 0.00 C ATOM 1024 CG TYR A 68 4.208 10.808 -2.938 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.452 9.713 -3.741 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.628 11.941 -3.472 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.102 9.752 -5.137 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.278 11.980 -4.869 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.532 10.884 -5.632 1.00 0.00 C ATOM 1030 OH TYR A 68 3.201 10.920 -6.951 1.00 0.00 O ATOM 0 H TYR A 68 2.294 10.318 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 68 4.478 8.587 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.134 11.627 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.661 10.868 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.905 8.827 -3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.437 12.798 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.288 8.902 -5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.824 12.860 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 68 2.802 11.789 -7.165 1.00 0.00 H new ATOM 1040 N LEU A 69 5.642 8.563 0.900 1.00 0.00 N ATOM 1041 CA LEU A 69 6.282 8.442 2.198 1.00 0.00 C ATOM 1042 C LEU A 69 7.802 8.448 2.016 1.00 0.00 C ATOM 1043 O LEU A 69 8.300 8.189 0.922 1.00 0.00 O ATOM 1044 CB LEU A 69 5.758 7.211 2.942 1.00 0.00 C ATOM 1045 CG LEU A 69 4.251 6.962 2.847 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.919 5.497 3.137 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.480 7.917 3.761 1.00 0.00 C ATOM 0 H LEU A 69 5.963 7.892 0.202 1.00 0.00 H new ATOM 0 HA LEU A 69 6.032 9.297 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.276 6.332 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.025 7.306 3.995 1.00 0.00 H new ATOM 0 HG LEU A 69 3.933 7.168 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.842 5.346 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.425 4.859 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.253 5.240 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.411 7.720 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.795 7.766 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.684 8.946 3.466 1.00 0.00 H new ATOM 1059 N PRO A 70 8.513 8.756 3.133 1.00 0.00 N ATOM 1060 CA PRO A 70 9.966 8.801 3.106 1.00 0.00 C ATOM 1061 C PRO A 70 10.557 7.390 3.077 1.00 0.00 C ATOM 1062 O PRO A 70 9.824 6.404 3.153 1.00 0.00 O ATOM 1063 CB PRO A 70 10.358 9.583 4.349 1.00 0.00 C ATOM 1064 CG PRO A 70 9.145 9.547 5.265 1.00 0.00 C ATOM 1065 CD PRO A 70 7.957 9.070 4.446 1.00 0.00 C ATOM 0 HA PRO A 70 10.356 9.282 2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.226 9.137 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.626 10.609 4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.322 8.877 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.950 10.536 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.491 8.195 4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.189 9.840 4.377 1.00 0.00 H new ATOM 1073 N ASN A 71 11.876 7.337 2.965 1.00 0.00 N ATOM 1074 CA ASN A 71 12.574 6.064 2.925 1.00 0.00 C ATOM 1075 C ASN A 71 12.836 5.585 4.354 1.00 0.00 C ATOM 1076 O ASN A 71 13.719 4.760 4.584 1.00 0.00 O ATOM 1077 CB ASN A 71 13.923 6.197 2.216 1.00 0.00 C ATOM 1078 CG ASN A 71 14.945 6.901 3.110 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.636 7.834 3.834 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.175 6.405 3.020 1.00 0.00 N ATOM 0 H ASN A 71 12.480 8.156 2.901 1.00 0.00 H new ATOM 0 HA ASN A 71 11.950 5.355 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.293 5.209 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.797 6.758 1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.929 6.807 3.577 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.365 5.623 2.394 1.00 0.00 H new ATOM 1087 N VAL A 72 12.053 6.123 5.277 1.00 0.00 N ATOM 1088 CA VAL A 72 12.189 5.761 6.678 1.00 0.00 C ATOM 1089 C VAL A 72 10.910 5.064 7.147 1.00 0.00 C ATOM 1090 O VAL A 72 10.928 4.320 8.126 1.00 0.00 O ATOM 1091 CB VAL A 72 12.534 7.000 7.507 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.721 7.751 6.902 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.319 7.918 7.652 1.00 0.00 C ATOM 0 H VAL A 72 11.322 6.807 5.082 1.00 0.00 H new ATOM 0 HA VAL A 72 13.010 5.057 6.813 1.00 0.00 H new ATOM 0 HB VAL A 72 12.822 6.667 8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.945 8.627 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.591 7.095 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.473 8.067 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.591 8.791 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.986 8.240 6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.513 7.379 8.149 1.00 0.00 H new ATOM 1103 N THR A 73 9.831 5.331 6.427 1.00 0.00 N ATOM 1104 CA THR A 73 8.546 4.739 6.757 1.00 0.00 C ATOM 1105 C THR A 73 8.229 3.585 5.804 1.00 0.00 C ATOM 1106 O THR A 73 8.559 3.644 4.620 1.00 0.00 O ATOM 1107 CB THR A 73 7.494 5.850 6.736 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.688 6.535 7.970 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.067 5.307 6.832 1.00 0.00 C ATOM 0 H THR A 73 9.820 5.950 5.616 1.00 0.00 H new ATOM 0 HA THR A 73 8.558 4.301 7.755 1.00 0.00 H new ATOM 0 HB THR A 73 7.600 6.433 5.821 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.047 7.273 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.360 6.136 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.872 4.645 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.951 4.752 7.763 1.00 0.00 H new ATOM 1117 N LEU A 74 7.594 2.561 6.355 1.00 0.00 N ATOM 1118 CA LEU A 74 7.229 1.395 5.569 1.00 0.00 C ATOM 1119 C LEU A 74 5.809 0.960 5.937 1.00 0.00 C ATOM 1120 O LEU A 74 5.371 -0.126 5.560 1.00 0.00 O ATOM 1121 CB LEU A 74 8.273 0.289 5.736 1.00 0.00 C ATOM 1122 CG LEU A 74 9.728 0.750 5.844 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.498 -0.099 6.858 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.405 0.758 4.472 1.00 0.00 C ATOM 0 H LEU A 74 7.323 2.515 7.337 1.00 0.00 H new ATOM 0 HA LEU A 74 7.222 1.639 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.027 -0.283 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.190 -0.392 4.889 1.00 0.00 H new ATOM 0 HG LEU A 74 9.734 1.776 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.529 0.249 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.029 -0.009 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.485 -1.143 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.438 1.090 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.388 -0.248 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.872 1.438 3.807 1.00 0.00 H new ATOM 1136 N GLU A 75 5.129 1.832 6.668 1.00 0.00 N ATOM 1137 CA GLU A 75 3.767 1.552 7.090 1.00 0.00 C ATOM 1138 C GLU A 75 2.942 2.840 7.109 1.00 0.00 C ATOM 1139 O GLU A 75 3.467 3.914 7.400 1.00 0.00 O ATOM 1140 CB GLU A 75 3.748 0.869 8.459 1.00 0.00 C ATOM 1141 CG GLU A 75 4.305 1.795 9.542 1.00 0.00 C ATOM 1142 CD GLU A 75 5.723 1.380 9.942 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.843 0.311 10.579 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.654 2.141 9.602 1.00 0.00 O ATOM 0 H GLU A 75 5.496 2.732 6.978 1.00 0.00 H new ATOM 0 HA GLU A 75 3.318 0.867 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.727 0.581 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.337 -0.047 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.312 2.823 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.655 1.770 10.416 1.00 0.00 H new ATOM 1151 N TYR A 76 1.664 2.690 6.794 1.00 0.00 N ATOM 1152 CA TYR A 76 0.760 3.828 6.771 1.00 0.00 C ATOM 1153 C TYR A 76 -0.677 3.393 7.061 1.00 0.00 C ATOM 1154 O TYR A 76 -1.046 2.247 6.808 1.00 0.00 O ATOM 1155 CB TYR A 76 0.832 4.394 5.351 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.094 5.588 5.110 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.395 5.380 4.701 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.373 6.873 5.300 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.267 6.504 4.474 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.498 7.997 5.073 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.775 7.757 4.671 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.598 8.818 4.456 1.00 0.00 O ATOM 0 H TYR A 76 1.233 1.798 6.553 1.00 0.00 H new ATOM 0 HA TYR A 76 1.044 4.559 7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.859 4.695 5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.582 3.604 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.760 4.375 4.551 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.392 7.035 5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.288 6.355 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.145 9.007 5.219 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.113 9.650 4.636 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.450 4.331 7.589 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.839 4.059 7.917 1.00 0.00 C ATOM 1174 C ARG A 77 -3.744 4.419 6.736 1.00 0.00 C ATOM 1175 O ARG A 77 -3.751 5.561 6.280 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.280 4.853 9.148 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.689 4.449 9.586 1.00 0.00 C ATOM 1178 CD ARG A 77 -4.767 4.288 11.105 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.338 5.540 11.769 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.460 5.773 13.083 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -4.998 4.842 13.881 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -4.043 6.938 13.598 1.00 0.00 N ATOM 0 H ARG A 77 -1.140 5.280 7.798 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.926 2.994 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.579 4.683 9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.257 5.920 8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.405 5.203 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.969 3.513 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.786 4.040 11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.133 3.461 11.425 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.924 6.271 11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.315 3.955 13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.091 5.019 14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.633 7.647 12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.136 7.116 14.598 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.484 3.422 6.274 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.390 3.618 5.155 1.00 0.00 C ATOM 1198 C VAL A 78 -6.784 3.960 5.687 1.00 0.00 C ATOM 1199 O VAL A 78 -7.196 3.453 6.729 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.381 2.384 4.252 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.324 2.569 3.061 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -3.962 2.059 3.782 1.00 0.00 C ATOM 0 H VAL A 78 -4.475 2.476 6.654 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.062 4.456 4.540 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.742 1.538 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.299 1.677 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.340 2.730 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.006 3.432 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.984 1.177 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.562 2.904 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.328 1.863 4.647 1.00 0.00 H new ATOM 1212 N THR A 79 -7.471 4.817 4.946 1.00 0.00 N ATOM 1213 CA THR A 79 -8.809 5.233 5.330 1.00 0.00 C ATOM 1214 C THR A 79 -9.619 5.628 4.094 1.00 0.00 C ATOM 1215 O THR A 79 -9.067 6.148 3.125 1.00 0.00 O ATOM 1216 CB THR A 79 -8.678 6.359 6.357 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.990 7.391 5.655 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.735 5.998 7.506 1.00 0.00 C ATOM 0 H THR A 79 -7.126 5.235 4.082 1.00 0.00 H new ATOM 0 HA THR A 79 -9.360 4.415 5.793 1.00 0.00 H new ATOM 0 HB THR A 79 -9.663 6.600 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.864 8.162 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.678 6.832 8.206 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.112 5.115 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.741 5.789 7.109 1.00 0.00 H new ATOM 1226 N GLY A 80 -10.916 5.367 4.168 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.808 5.689 3.067 1.00 0.00 C ATOM 1228 C GLY A 80 -12.184 4.432 2.280 1.00 0.00 C ATOM 1229 O GLY A 80 -12.557 4.516 1.111 1.00 0.00 O ATOM 0 H GLY A 80 -11.370 4.936 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.710 6.164 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.327 6.408 2.403 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.072 3.296 2.952 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.396 2.024 2.330 1.00 0.00 C ATOM 1235 C LEU A 81 -13.894 1.752 2.483 1.00 0.00 C ATOM 1236 O LEU A 81 -14.704 2.676 2.431 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.508 0.911 2.893 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.069 1.307 3.229 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.465 0.353 4.261 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.215 1.396 1.963 1.00 0.00 C ATOM 0 H LEU A 81 -11.761 3.230 3.921 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.186 2.059 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.977 0.521 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.480 0.095 2.171 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.084 2.300 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.442 0.657 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.058 0.383 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.464 -0.661 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.197 1.679 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.203 0.427 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.636 2.145 1.292 1.00 0.00 H new ATOM 1252 N THR A 82 -14.216 0.480 2.669 1.00 0.00 N ATOM 1253 CA THR A 82 -15.602 0.076 2.829 1.00 0.00 C ATOM 1254 C THR A 82 -15.711 -1.062 3.847 1.00 0.00 C ATOM 1255 O THR A 82 -14.782 -1.853 4.001 1.00 0.00 O ATOM 1256 CB THR A 82 -16.151 -0.290 1.449 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.984 0.900 0.683 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.665 -0.515 1.461 1.00 0.00 C ATOM 0 H THR A 82 -13.541 -0.284 2.712 1.00 0.00 H new ATOM 0 HA THR A 82 -16.207 0.889 3.230 1.00 0.00 H new ATOM 0 HB THR A 82 -15.653 -1.190 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.095 0.902 0.271 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.003 -0.772 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.906 -1.329 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.166 0.396 1.790 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.854 -1.107 4.515 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.097 -2.135 5.514 1.00 0.00 C ATOM 1268 C ALA A 83 -17.257 -3.488 4.818 1.00 0.00 C ATOM 1269 O ALA A 83 -17.904 -3.581 3.776 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.324 -1.758 6.346 1.00 0.00 C ATOM 0 H ALA A 83 -17.622 -0.449 4.385 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.252 -2.214 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.506 -2.529 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.148 -0.804 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.193 -1.673 5.694 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.658 -4.503 5.423 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.726 -5.847 4.875 1.00 0.00 C ATOM 1278 C LEU A 84 -16.549 -5.783 3.357 1.00 0.00 C ATOM 1279 O LEU A 84 -17.420 -6.223 2.608 1.00 0.00 O ATOM 1280 CB LEU A 84 -18.017 -6.540 5.315 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.254 -6.621 6.825 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.371 -7.615 7.152 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.957 -6.952 7.566 1.00 0.00 C ATOM 0 H LEU A 84 -16.123 -4.422 6.288 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.914 -6.460 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.859 -6.017 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.018 -7.553 4.912 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.583 -5.642 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.519 -7.654 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.295 -7.296 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.095 -8.605 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.153 -7.004 8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.575 -7.913 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.217 -6.176 7.370 1.00 0.00 H new ATOM 1295 N THR A 85 -15.416 -5.232 2.948 1.00 0.00 N ATOM 1296 CA THR A 85 -15.113 -5.106 1.532 1.00 0.00 C ATOM 1297 C THR A 85 -13.654 -5.477 1.264 1.00 0.00 C ATOM 1298 O THR A 85 -12.777 -5.192 2.078 1.00 0.00 O ATOM 1299 CB THR A 85 -15.468 -3.682 1.099 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.892 -3.676 1.058 1.00 0.00 O ATOM 1301 CG2 THR A 85 -15.053 -3.389 -0.344 1.00 0.00 C ATOM 0 H THR A 85 -14.696 -4.868 3.572 1.00 0.00 H new ATOM 0 HA THR A 85 -15.706 -5.800 0.936 1.00 0.00 H new ATOM 0 HB THR A 85 -14.986 -2.969 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.245 -3.598 1.969 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.328 -2.366 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.975 -3.511 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.561 -4.081 -1.016 1.00 0.00 H new ATOM 1309 N THR A 86 -13.438 -6.107 0.118 1.00 0.00 N ATOM 1310 CA THR A 86 -12.100 -6.520 -0.268 1.00 0.00 C ATOM 1311 C THR A 86 -11.335 -5.345 -0.880 1.00 0.00 C ATOM 1312 O THR A 86 -11.833 -4.680 -1.787 1.00 0.00 O ATOM 1313 CB THR A 86 -12.228 -7.719 -1.211 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.939 -8.688 -0.445 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.882 -8.385 -1.498 1.00 0.00 C ATOM 0 H THR A 86 -14.168 -6.341 -0.555 1.00 0.00 H new ATOM 0 HA THR A 86 -11.517 -6.831 0.599 1.00 0.00 H new ATOM 0 HB THR A 86 -12.680 -7.396 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.068 -9.498 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.030 -9.229 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.211 -7.663 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.444 -8.738 -0.564 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.136 -5.125 -0.359 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.298 -4.042 -0.842 1.00 0.00 C ATOM 1325 C TYR A 87 -7.864 -4.522 -1.080 1.00 0.00 C ATOM 1326 O TYR A 87 -7.377 -5.405 -0.375 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.292 -2.986 0.265 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.406 -1.945 0.137 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.631 -2.168 0.732 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.185 -0.782 -0.573 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.679 -1.188 0.611 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.233 0.198 -0.694 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.428 -0.053 -0.095 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.418 0.873 -0.209 1.00 0.00 O ATOM 0 H TYR A 87 -9.726 -5.679 0.393 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.679 -3.655 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.384 -3.485 1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.329 -2.475 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.804 -3.077 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.226 -0.607 -1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.643 -1.351 1.071 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.074 1.111 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.061 1.684 -0.627 1.00 0.00 H new ATOM 1344 N THR A 88 -7.229 -3.920 -2.074 1.00 0.00 N ATOM 1345 CA THR A 88 -5.862 -4.275 -2.413 1.00 0.00 C ATOM 1346 C THR A 88 -4.926 -3.091 -2.163 1.00 0.00 C ATOM 1347 O THR A 88 -5.075 -2.036 -2.777 1.00 0.00 O ATOM 1348 CB THR A 88 -5.846 -4.766 -3.862 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.119 -6.161 -3.760 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.450 -4.705 -4.486 1.00 0.00 C ATOM 0 H THR A 88 -7.636 -3.188 -2.656 1.00 0.00 H new ATOM 0 HA THR A 88 -5.494 -5.080 -1.778 1.00 0.00 H new ATOM 0 HB THR A 88 -6.536 -4.166 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.129 -6.559 -4.656 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.495 -5.064 -5.514 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.092 -3.675 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.767 -5.332 -3.912 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.981 -3.306 -1.259 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.020 -2.270 -0.920 1.00 0.00 C ATOM 1360 C ILE A 89 -1.709 -2.533 -1.663 1.00 0.00 C ATOM 1361 O ILE A 89 -1.076 -3.568 -1.466 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.856 -2.168 0.598 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.216 -2.202 1.300 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.045 -0.928 0.980 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.233 -1.324 0.568 1.00 0.00 C ATOM 0 H ILE A 89 -3.860 -4.182 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.381 -1.294 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.295 -3.038 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.581 -3.228 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.107 -1.858 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.943 -0.880 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.056 -0.986 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.557 -0.034 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.190 -1.366 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.876 -0.294 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.358 -1.685 -0.453 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.341 -1.576 -2.503 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.117 -1.691 -3.278 1.00 0.00 C ATOM 1379 C GLU A 90 0.968 -0.785 -2.693 1.00 0.00 C ATOM 1380 O GLU A 90 0.742 0.407 -2.489 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.368 -1.366 -4.752 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.546 -2.174 -5.299 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.495 -1.284 -6.103 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.425 -0.052 -5.902 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.270 -1.855 -6.901 1.00 0.00 O ATOM 0 H GLU A 90 -1.869 -0.718 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 90 0.230 -2.723 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.570 -0.301 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.528 -1.583 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.176 -2.981 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.088 -2.638 -4.475 1.00 0.00 H new ATOM 1392 N VAL A 91 2.122 -1.384 -2.440 1.00 0.00 N ATOM 1393 CA VAL A 91 3.243 -0.645 -1.883 1.00 0.00 C ATOM 1394 C VAL A 91 4.448 -0.776 -2.816 1.00 0.00 C ATOM 1395 O VAL A 91 4.872 -1.885 -3.137 1.00 0.00 O ATOM 1396 CB VAL A 91 3.532 -1.128 -0.460 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.811 -0.490 0.086 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.344 -0.854 0.464 1.00 0.00 C ATOM 0 H VAL A 91 2.305 -2.373 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 91 3.003 0.416 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 91 3.685 -2.207 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.994 -0.850 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.653 -0.759 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.699 0.594 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.576 -1.207 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.145 0.217 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.464 -1.377 0.090 1.00 0.00 H new ATOM 1408 N ALA A 92 4.967 0.373 -3.224 1.00 0.00 N ATOM 1409 CA ALA A 92 6.116 0.401 -4.114 1.00 0.00 C ATOM 1410 C ALA A 92 7.226 1.242 -3.480 1.00 0.00 C ATOM 1411 O ALA A 92 6.964 2.059 -2.599 1.00 0.00 O ATOM 1412 CB ALA A 92 5.689 0.934 -5.483 1.00 0.00 C ATOM 0 H ALA A 92 4.613 1.291 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 92 6.510 -0.604 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.551 0.955 -6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.921 0.285 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.291 1.943 -5.373 1.00 0.00 H new ATOM 1418 N ALA A 93 8.442 1.013 -3.954 1.00 0.00 N ATOM 1419 CA ALA A 93 9.592 1.740 -3.445 1.00 0.00 C ATOM 1420 C ALA A 93 9.889 2.926 -4.365 1.00 0.00 C ATOM 1421 O ALA A 93 9.340 3.017 -5.462 1.00 0.00 O ATOM 1422 CB ALA A 93 10.783 0.787 -3.319 1.00 0.00 C ATOM 0 H ALA A 93 8.656 0.334 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 93 9.386 2.138 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.646 1.332 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.531 -0.021 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.021 0.371 -4.298 1.00 0.00 H new ATOM 1428 N MET A 94 10.757 3.804 -3.884 1.00 0.00 N ATOM 1429 CA MET A 94 11.133 4.980 -4.650 1.00 0.00 C ATOM 1430 C MET A 94 12.632 5.261 -4.523 1.00 0.00 C ATOM 1431 O MET A 94 13.158 5.350 -3.415 1.00 0.00 O ATOM 1432 CB MET A 94 10.342 6.190 -4.148 1.00 0.00 C ATOM 1433 CG MET A 94 8.837 5.965 -4.306 1.00 0.00 C ATOM 1434 SD MET A 94 7.938 7.341 -3.611 1.00 0.00 S ATOM 1435 CE MET A 94 7.559 8.249 -5.100 1.00 0.00 C ATOM 0 H MET A 94 11.210 3.725 -2.974 1.00 0.00 H new ATOM 0 HA MET A 94 10.905 4.795 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.578 6.374 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.641 7.080 -4.703 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.587 5.852 -5.361 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.545 5.040 -3.808 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.105 9.205 -4.838 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.476 8.425 -5.662 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.864 7.673 -5.710 1.00 0.00 H new ATOM 1445 N THR A 95 13.276 5.392 -5.673 1.00 0.00 N ATOM 1446 CA THR A 95 14.704 5.661 -5.704 1.00 0.00 C ATOM 1447 C THR A 95 14.985 6.960 -6.462 1.00 0.00 C ATOM 1448 O THR A 95 14.069 7.731 -6.741 1.00 0.00 O ATOM 1449 CB THR A 95 15.402 4.441 -6.309 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.517 4.011 -7.340 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.452 3.256 -5.343 1.00 0.00 C ATOM 0 H THR A 95 12.836 5.317 -6.590 1.00 0.00 H new ATOM 0 HA THR A 95 15.100 5.815 -4.700 1.00 0.00 H new ATOM 0 HB THR A 95 16.416 4.712 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.037 3.738 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.957 2.417 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.997 3.542 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.437 2.963 -5.074 1.00 0.00 H new ATOM 1459 N SER A 96 16.257 7.162 -6.773 1.00 0.00 N ATOM 1460 CA SER A 96 16.671 8.354 -7.493 1.00 0.00 C ATOM 1461 C SER A 96 16.149 8.306 -8.930 1.00 0.00 C ATOM 1462 O SER A 96 16.173 9.312 -9.638 1.00 0.00 O ATOM 1463 CB SER A 96 18.194 8.501 -7.487 1.00 0.00 C ATOM 1464 OG SER A 96 18.774 8.101 -8.725 1.00 0.00 O ATOM 0 H SER A 96 17.015 6.520 -6.539 1.00 0.00 H new ATOM 0 HA SER A 96 16.247 9.222 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.457 9.539 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.613 7.900 -6.680 1.00 0.00 H new ATOM 0 HG SER A 96 19.747 8.211 -8.681 1.00 0.00 H new ATOM 1470 N LYS A 97 15.688 7.126 -9.319 1.00 0.00 N ATOM 1471 CA LYS A 97 15.161 6.933 -10.659 1.00 0.00 C ATOM 1472 C LYS A 97 13.672 7.286 -10.672 1.00 0.00 C ATOM 1473 O LYS A 97 13.232 8.104 -11.479 1.00 0.00 O ATOM 1474 CB LYS A 97 15.461 5.517 -11.154 1.00 0.00 C ATOM 1475 CG LYS A 97 16.930 5.377 -11.560 1.00 0.00 C ATOM 1476 CD LYS A 97 17.115 5.660 -13.052 1.00 0.00 C ATOM 1477 CE LYS A 97 16.745 7.107 -13.386 1.00 0.00 C ATOM 1478 NZ LYS A 97 17.246 7.472 -14.730 1.00 0.00 N ATOM 0 H LYS A 97 15.669 6.294 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 97 15.655 7.603 -11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.227 4.797 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.821 5.282 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.540 6.067 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.280 4.371 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.150 5.471 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.495 4.979 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.663 7.230 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.168 7.779 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.987 8.457 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.281 7.374 -14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.823 6.842 -15.441 1.00 0.00 H new ATOM 1492 N GLY A 98 12.938 6.653 -9.770 1.00 0.00 N ATOM 1493 CA GLY A 98 11.508 6.890 -9.667 1.00 0.00 C ATOM 1494 C GLY A 98 10.851 5.879 -8.726 1.00 0.00 C ATOM 1495 O GLY A 98 11.015 5.960 -7.510 1.00 0.00 O ATOM 0 H GLY A 98 13.307 5.975 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.329 7.901 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.052 6.822 -10.655 1.00 0.00 H new ATOM 1499 N GLN A 99 10.119 4.951 -9.324 1.00 0.00 N ATOM 1500 CA GLN A 99 9.436 3.925 -8.555 1.00 0.00 C ATOM 1501 C GLN A 99 9.737 2.540 -9.131 1.00 0.00 C ATOM 1502 O GLN A 99 9.907 2.390 -10.340 1.00 0.00 O ATOM 1503 CB GLN A 99 7.929 4.185 -8.511 1.00 0.00 C ATOM 1504 CG GLN A 99 7.206 3.089 -7.726 1.00 0.00 C ATOM 1505 CD GLN A 99 5.691 3.181 -7.924 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.992 3.902 -7.232 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.226 2.412 -8.904 1.00 0.00 N ATOM 0 H GLN A 99 9.984 4.888 -10.333 1.00 0.00 H new ATOM 0 HA GLN A 99 9.808 3.959 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.737 5.154 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.534 4.231 -9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.560 2.110 -8.051 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.444 3.179 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.867 1.832 -9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.228 2.402 -9.115 1.00 0.00 H new ATOM 1516 N GLY A 100 9.793 1.562 -8.239 1.00 0.00 N ATOM 1517 CA GLY A 100 10.070 0.195 -8.644 1.00 0.00 C ATOM 1518 C GLY A 100 8.818 -0.677 -8.524 1.00 0.00 C ATOM 1519 O GLY A 100 7.701 -0.163 -8.485 1.00 0.00 O ATOM 0 H GLY A 100 9.651 1.690 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.429 0.182 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.866 -0.218 -8.024 1.00 0.00 H new ATOM 1523 N GLN A 101 9.046 -1.981 -8.471 1.00 0.00 N ATOM 1524 CA GLN A 101 7.951 -2.929 -8.357 1.00 0.00 C ATOM 1525 C GLN A 101 6.966 -2.474 -7.278 1.00 0.00 C ATOM 1526 O GLN A 101 7.220 -1.500 -6.572 1.00 0.00 O ATOM 1527 CB GLN A 101 8.472 -4.337 -8.065 1.00 0.00 C ATOM 1528 CG GLN A 101 7.888 -5.353 -9.048 1.00 0.00 C ATOM 1529 CD GLN A 101 8.985 -6.246 -9.631 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.240 -7.344 -9.166 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.618 -5.715 -10.674 1.00 0.00 N ATOM 0 H GLN A 101 9.974 -2.404 -8.505 1.00 0.00 H new ATOM 0 HA GLN A 101 7.425 -2.963 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.560 -4.347 -8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.211 -4.621 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.144 -5.968 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.373 -4.830 -9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.355 -4.790 -11.013 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.366 -6.233 -11.134 1.00 0.00 H new ATOM 1540 N VAL A 102 5.863 -3.202 -7.185 1.00 0.00 N ATOM 1541 CA VAL A 102 4.838 -2.886 -6.204 1.00 0.00 C ATOM 1542 C VAL A 102 4.253 -4.185 -5.647 1.00 0.00 C ATOM 1543 O VAL A 102 4.152 -5.181 -6.361 1.00 0.00 O ATOM 1544 CB VAL A 102 3.780 -1.973 -6.828 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.656 -2.792 -7.465 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.225 -0.991 -5.794 1.00 0.00 C ATOM 0 H VAL A 102 5.656 -4.010 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 102 5.268 -2.338 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 102 4.260 -1.394 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.918 -2.119 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.069 -3.432 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.179 -3.409 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.475 -0.354 -6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.768 -1.545 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.035 -0.373 -5.407 1.00 0.00 H new ATOM 1556 N SER A 103 3.884 -4.133 -4.376 1.00 0.00 N ATOM 1557 CA SER A 103 3.312 -5.293 -3.714 1.00 0.00 C ATOM 1558 C SER A 103 1.848 -5.024 -3.358 1.00 0.00 C ATOM 1559 O SER A 103 1.560 -4.273 -2.427 1.00 0.00 O ATOM 1560 CB SER A 103 4.105 -5.659 -2.458 1.00 0.00 C ATOM 1561 OG SER A 103 5.179 -6.550 -2.746 1.00 0.00 O ATOM 0 H SER A 103 3.970 -3.305 -3.786 1.00 0.00 H new ATOM 0 HA SER A 103 3.363 -6.138 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.499 -4.751 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.438 -6.119 -1.729 1.00 0.00 H new ATOM 0 HG SER A 103 5.662 -6.758 -1.919 1.00 0.00 H new ATOM 1567 N ALA A 104 0.962 -5.652 -4.117 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.464 -5.489 -3.892 1.00 0.00 C ATOM 1569 C ALA A 104 -1.003 -6.716 -3.153 1.00 0.00 C ATOM 1570 O ALA A 104 -0.936 -7.832 -3.664 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.169 -5.260 -5.231 1.00 0.00 C ATOM 0 H ALA A 104 1.204 -6.274 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.657 -4.616 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.239 -5.138 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.771 -4.362 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.000 -6.117 -5.883 1.00 0.00 H new ATOM 1577 N SER A 105 -1.524 -6.466 -1.960 1.00 0.00 N ATOM 1578 CA SER A 105 -2.074 -7.535 -1.145 1.00 0.00 C ATOM 1579 C SER A 105 -3.559 -7.281 -0.880 1.00 0.00 C ATOM 1580 O SER A 105 -3.942 -6.186 -0.473 1.00 0.00 O ATOM 1581 CB SER A 105 -1.314 -7.667 0.177 1.00 0.00 C ATOM 1582 OG SER A 105 -0.391 -8.752 0.156 1.00 0.00 O ATOM 0 H SER A 105 -1.577 -5.538 -1.539 1.00 0.00 H new ATOM 0 HA SER A 105 -1.964 -8.472 -1.691 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.779 -6.740 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.025 -7.811 0.991 1.00 0.00 H new ATOM 0 HG SER A 105 -0.043 -8.903 1.060 1.00 0.00 H new ATOM 1588 N THR A 106 -4.356 -8.312 -1.123 1.00 0.00 N ATOM 1589 CA THR A 106 -5.791 -8.214 -0.915 1.00 0.00 C ATOM 1590 C THR A 106 -6.121 -8.304 0.576 1.00 0.00 C ATOM 1591 O THR A 106 -5.579 -9.149 1.286 1.00 0.00 O ATOM 1592 CB THR A 106 -6.465 -9.302 -1.754 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.608 -9.451 -2.883 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.794 -8.839 -2.354 1.00 0.00 C ATOM 0 H THR A 106 -4.035 -9.219 -1.462 1.00 0.00 H new ATOM 0 HA THR A 106 -6.174 -7.247 -1.242 1.00 0.00 H new ATOM 0 HB THR A 106 -6.633 -10.184 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.970 -10.139 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.230 -9.648 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.478 -8.562 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.622 -7.977 -2.998 1.00 0.00 H new ATOM 1602 N ILE A 107 -7.010 -7.420 1.006 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.419 -7.388 2.400 1.00 0.00 C ATOM 1604 C ILE A 107 -8.884 -6.957 2.487 1.00 0.00 C ATOM 1605 O ILE A 107 -9.284 -5.976 1.862 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.470 -6.511 3.218 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.955 -6.377 4.663 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.272 -5.148 2.551 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.782 -7.693 5.423 1.00 0.00 C ATOM 0 H ILE A 107 -7.458 -6.721 0.414 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.352 -8.383 2.839 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.496 -6.999 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.398 -5.587 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.004 -6.083 4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.593 -4.544 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.849 -5.288 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.233 -4.640 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.134 -7.571 6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.360 -8.476 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.728 -7.972 5.433 1.00 0.00 H new ATOM 1621 N SER A 108 -9.645 -7.711 3.267 1.00 0.00 N ATOM 1622 CA SER A 108 -11.057 -7.418 3.443 1.00 0.00 C ATOM 1623 C SER A 108 -11.278 -6.683 4.767 1.00 0.00 C ATOM 1624 O SER A 108 -10.968 -7.211 5.834 1.00 0.00 O ATOM 1625 CB SER A 108 -11.894 -8.698 3.401 1.00 0.00 C ATOM 1626 OG SER A 108 -13.133 -8.549 4.090 1.00 0.00 O ATOM 0 H SER A 108 -9.310 -8.524 3.784 1.00 0.00 H new ATOM 0 HA SER A 108 -11.379 -6.778 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.087 -8.971 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.328 -9.516 3.846 1.00 0.00 H new ATOM 0 HG SER A 108 -13.638 -9.387 4.039 1.00 0.00 H new ATOM 1632 N SER A 109 -11.812 -5.476 4.655 1.00 0.00 N ATOM 1633 CA SER A 109 -12.078 -4.663 5.829 1.00 0.00 C ATOM 1634 C SER A 109 -12.609 -5.541 6.964 1.00 0.00 C ATOM 1635 O SER A 109 -13.397 -6.456 6.729 1.00 0.00 O ATOM 1636 CB SER A 109 -13.073 -3.545 5.512 1.00 0.00 C ATOM 1637 OG SER A 109 -14.220 -4.032 4.820 1.00 0.00 O ATOM 0 H SER A 109 -12.068 -5.041 3.768 1.00 0.00 H new ATOM 0 HA SER A 109 -11.142 -4.200 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.386 -3.064 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.581 -2.783 4.908 1.00 0.00 H new ATOM 0 HG SER A 109 -14.613 -3.308 4.289 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.158 -5.231 8.170 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.578 -5.981 9.342 1.00 0.00 C ATOM 1645 C GLY A 110 -14.104 -6.017 9.451 1.00 0.00 C ATOM 1646 O GLY A 110 -14.748 -6.911 8.905 1.00 0.00 O ATOM 0 H GLY A 110 -11.506 -4.471 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.190 -6.998 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.156 -5.528 10.239 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.638 -5.033 10.161 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.076 -4.941 10.349 1.00 0.00 C ATOM 1652 C VAL A 111 -16.401 -3.683 11.157 1.00 0.00 C ATOM 1653 O VAL A 111 -15.668 -3.327 12.079 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.602 -6.222 10.999 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.904 -6.485 12.335 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.120 -6.164 11.175 1.00 0.00 C ATOM 0 H VAL A 111 -14.101 -4.293 10.613 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.582 -4.849 9.388 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.374 -7.054 10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.296 -7.401 12.776 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.832 -6.591 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.086 -5.650 13.011 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.468 -7.087 11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.381 -5.318 11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.595 -6.046 10.201 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.529 -3.028 10.772 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.959 -1.817 11.451 1.00 0.00 C ATOM 1668 C PRO A 112 -18.572 -2.142 12.815 1.00 0.00 C ATOM 1669 O PRO A 112 -19.488 -2.958 12.910 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.945 -1.162 10.498 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.382 -2.253 9.534 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.420 -3.420 9.685 1.00 0.00 C ATOM 0 HA PRO A 112 -17.132 -1.143 11.674 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.799 -0.754 11.039 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.480 -0.333 9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.402 -2.569 9.752 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.375 -1.882 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.951 -4.342 9.921 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.866 -3.598 8.763 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.027 -1.469 13.864 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.510 -1.678 15.218 1.00 0.00 C ATOM 1682 C PRO A 113 -19.860 -0.988 15.431 1.00 0.00 C ATOM 1683 O PRO A 113 -20.490 -1.160 16.474 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.414 -1.128 16.116 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.573 -0.216 15.237 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.942 -0.496 13.789 1.00 0.00 C ATOM 0 HA PRO A 113 -18.699 -2.728 15.440 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.837 -0.578 16.957 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.810 -1.934 16.533 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.759 0.829 15.483 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.511 -0.399 15.403 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.260 0.413 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.092 -0.893 13.233 1.00 0.00 H new