USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 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 100 HIS : no HE2:sc= 0.543 K(o=1.2,f=-1.6!) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.693 K(o=1.2,f=-4.1!) USER MOD Set 2.1: A 82 SER OG : rot 180:sc= -0.787 USER MOD Set 2.2: B1141 ASN : amide:sc= -0.693 K(o=-1.5,f=-4.3!) USER MOD Set 3.1: A 29 SER OG : rot -106:sc= 1.52 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -0.843 K(o=0.68,f=-4.7!) USER MOD Set 4.1: A 36 GLN : amide:sc= 1.16 K(o=1.8,f=-3.1!) USER MOD Set 4.2: A 116 THR OG1 : rot -158:sc= 0.679 USER MOD Set 5.1: A 25 SER OG : rot -58:sc= 0.819 USER MOD Set 5.2: A 48 SER OG : rot 180:sc= 0.722 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 1.06 K(o=1.1,f=-1.6!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 49 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.74) USER MOD Single : A 51 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 58 SER OG : rot -16:sc= 0.812 USER MOD Single : A 60 CYS SG : rot -50:sc= -0.196 USER MOD Single : A 61 HIS : no HD1:sc= -1.02! C(o=-1!,f=-8.2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot -150:sc= 1.04 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0.38 USER MOD Single : A 83 MET CE :methyl 180:sc= -0.0128 (180deg=-0.0128) USER MOD Single : A 87 GLN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.000189 USER MOD Single : A 95 GLN : amide:sc= 0.869 K(o=0.87,f=0.003) USER MOD Single : A 103 ASN : amide:sc= 0.955 K(o=0.96,f=-2.6!) USER MOD Single : A 109 CYS SG : rot -120:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-1) USER MOD Single : A 114 CYS SG : rot 180:sc= -0.369 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : B1142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 7.166 2.026 8.046 1.00 0.00 N ATOM 249 CA TRP A 19 5.944 1.892 7.239 1.00 0.00 C ATOM 250 C TRP A 19 5.862 2.870 6.049 1.00 0.00 C ATOM 251 O TRP A 19 4.825 2.908 5.383 1.00 0.00 O ATOM 252 CB TRP A 19 4.693 1.965 8.138 1.00 0.00 C ATOM 253 CG TRP A 19 4.531 0.865 9.149 1.00 0.00 C ATOM 254 CD1 TRP A 19 4.726 -0.452 8.910 1.00 0.00 C ATOM 255 CD2 TRP A 19 4.114 0.950 10.551 1.00 0.00 C ATOM 256 NE1 TRP A 19 4.490 -1.182 10.058 1.00 0.00 N ATOM 257 CE2 TRP A 19 4.122 -0.367 11.107 1.00 0.00 C ATOM 258 CE3 TRP A 19 3.733 2.003 11.415 1.00 0.00 C ATOM 259 CZ2 TRP A 19 3.795 -0.623 12.447 1.00 0.00 C ATOM 260 CZ3 TRP A 19 3.404 1.757 12.762 1.00 0.00 C ATOM 261 CH2 TRP A 19 3.436 0.450 13.281 1.00 0.00 C ATOM 0 HA TRP A 19 5.987 0.905 6.779 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.709 2.917 8.669 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.812 1.972 7.497 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.023 -0.871 7.960 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.577 -2.196 10.122 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.694 3.013 11.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.819 -1.631 12.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.124 2.580 13.403 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.186 0.272 14.316 1.00 0.00 H new ATOM 272 N PHE A 20 6.917 3.651 5.760 1.00 0.00 N ATOM 273 CA PHE A 20 6.946 4.564 4.609 1.00 0.00 C ATOM 274 C PHE A 20 8.353 4.817 4.029 1.00 0.00 C ATOM 275 O PHE A 20 9.260 5.274 4.726 1.00 0.00 O ATOM 276 CB PHE A 20 6.280 5.897 4.982 1.00 0.00 C ATOM 277 CG PHE A 20 6.142 6.834 3.795 1.00 0.00 C ATOM 278 CD1 PHE A 20 5.098 6.645 2.869 1.00 0.00 C ATOM 279 CD2 PHE A 20 7.087 7.857 3.580 1.00 0.00 C ATOM 280 CE1 PHE A 20 5.001 7.469 1.733 1.00 0.00 C ATOM 281 CE2 PHE A 20 6.987 8.684 2.447 1.00 0.00 C ATOM 282 CZ PHE A 20 5.944 8.491 1.523 1.00 0.00 C ATOM 0 H PHE A 20 7.771 3.666 6.318 1.00 0.00 H new ATOM 0 HA PHE A 20 6.388 4.064 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.293 5.701 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.866 6.386 5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.369 5.865 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.890 8.006 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.202 7.317 1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.712 9.468 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.868 9.127 0.653 1.00 0.00 H new ATOM 292 N HIS A 21 8.495 4.565 2.724 1.00 0.00 N ATOM 293 CA HIS A 21 9.681 4.803 1.876 1.00 0.00 C ATOM 294 C HIS A 21 9.222 5.298 0.496 1.00 0.00 C ATOM 295 O HIS A 21 8.203 4.794 0.035 1.00 0.00 O ATOM 296 CB HIS A 21 10.417 3.460 1.718 1.00 0.00 C ATOM 297 CG HIS A 21 11.354 3.113 2.850 1.00 0.00 C ATOM 298 ND1 HIS A 21 12.717 3.424 2.886 1.00 0.00 N ATOM 299 CD2 HIS A 21 11.024 2.425 3.981 1.00 0.00 C ATOM 300 CE1 HIS A 21 13.173 2.928 4.049 1.00 0.00 C ATOM 301 NE2 HIS A 21 12.181 2.326 4.726 1.00 0.00 N ATOM 0 H HIS A 21 7.729 4.158 2.187 1.00 0.00 H new ATOM 0 HA HIS A 21 10.336 5.550 2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.677 2.666 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.985 3.481 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 21 10.051 2.035 4.241 1.00 0.00 H new ATOM 0 HE1 HIS A 21 14.195 3.003 4.392 1.00 0.00 H new ATOM 0 HE2 HIS A 21 12.268 1.873 5.636 1.00 0.00 H new ATOM 309 N GLY A 22 9.921 6.177 -0.247 1.00 0.00 N ATOM 310 CA GLY A 22 9.495 6.522 -1.601 1.00 0.00 C ATOM 311 C GLY A 22 10.611 6.463 -2.630 1.00 0.00 C ATOM 312 O GLY A 22 10.521 7.130 -3.647 1.00 0.00 O ATOM 0 H GLY A 22 10.768 6.650 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.698 5.844 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.073 7.527 -1.594 1.00 0.00 H new ATOM 316 N ARG A 23 11.657 5.664 -2.380 1.00 0.00 N ATOM 317 CA ARG A 23 12.762 5.412 -3.332 1.00 0.00 C ATOM 318 C ARG A 23 13.192 3.940 -3.380 1.00 0.00 C ATOM 319 O ARG A 23 14.216 3.574 -3.948 1.00 0.00 O ATOM 320 CB ARG A 23 13.872 6.458 -3.023 1.00 0.00 C ATOM 321 CG ARG A 23 15.345 6.216 -3.421 1.00 0.00 C ATOM 322 CD ARG A 23 15.625 6.112 -4.927 1.00 0.00 C ATOM 323 NE ARG A 23 17.029 5.739 -5.196 1.00 0.00 N ATOM 324 CZ ARG A 23 17.559 4.527 -5.211 1.00 0.00 C ATOM 325 NH1 ARG A 23 16.869 3.459 -4.925 1.00 0.00 N ATOM 326 NH2 ARG A 23 18.815 4.365 -5.516 1.00 0.00 N ATOM 0 H ARG A 23 11.767 5.164 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 23 12.447 5.561 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.566 7.392 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.859 6.625 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.949 7.027 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.684 5.296 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.960 5.371 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.404 7.066 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 23 17.667 6.510 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.883 3.540 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.315 2.542 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.393 5.174 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.221 3.429 -5.527 1.00 0.00 H new ATOM 340 N ILE A 24 12.344 3.070 -2.846 1.00 0.00 N ATOM 341 CA ILE A 24 12.506 1.608 -2.888 1.00 0.00 C ATOM 342 C ILE A 24 11.585 1.094 -4.000 1.00 0.00 C ATOM 343 O ILE A 24 10.519 0.524 -3.770 1.00 0.00 O ATOM 344 CB ILE A 24 12.385 0.976 -1.480 1.00 0.00 C ATOM 345 CG1 ILE A 24 12.811 -0.509 -1.480 1.00 0.00 C ATOM 346 CG2 ILE A 24 10.993 1.107 -0.847 1.00 0.00 C ATOM 347 CD1 ILE A 24 14.325 -0.722 -1.613 1.00 0.00 C ATOM 0 H ILE A 24 11.498 3.362 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 24 13.513 1.289 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 24 13.071 1.556 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.468 -0.975 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.309 -1.021 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.995 0.638 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.737 2.162 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.257 0.614 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 24 14.544 -1.790 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.673 -0.287 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.835 -0.241 -0.778 1.00 0.00 H new ATOM 359 N SER A 25 11.993 1.410 -5.230 1.00 0.00 N ATOM 360 CA SER A 25 11.266 1.159 -6.482 1.00 0.00 C ATOM 361 C SER A 25 10.700 -0.258 -6.570 1.00 0.00 C ATOM 362 O SER A 25 11.250 -1.185 -5.978 1.00 0.00 O ATOM 363 CB SER A 25 12.160 1.522 -7.668 1.00 0.00 C ATOM 364 OG SER A 25 12.541 2.890 -7.586 1.00 0.00 O ATOM 0 H SER A 25 12.887 1.873 -5.392 1.00 0.00 H new ATOM 0 HA SER A 25 10.387 1.802 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.047 0.888 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.631 1.338 -8.603 1.00 0.00 H new ATOM 0 HG SER A 25 11.739 3.453 -7.577 1.00 0.00 H new ATOM 370 N ARG A 26 9.599 -0.442 -7.304 1.00 0.00 N ATOM 371 CA ARG A 26 8.834 -1.709 -7.379 1.00 0.00 C ATOM 372 C ARG A 26 9.625 -3.013 -7.528 1.00 0.00 C ATOM 373 O ARG A 26 9.290 -3.986 -6.860 1.00 0.00 O ATOM 374 CB ARG A 26 7.648 -1.525 -8.354 1.00 0.00 C ATOM 375 CG ARG A 26 7.501 -2.502 -9.531 1.00 0.00 C ATOM 376 CD ARG A 26 8.409 -2.201 -10.731 1.00 0.00 C ATOM 377 NE ARG A 26 7.948 -1.016 -11.479 1.00 0.00 N ATOM 378 CZ ARG A 26 8.433 -0.550 -12.613 1.00 0.00 C ATOM 379 NH1 ARG A 26 9.142 -1.277 -13.427 1.00 0.00 N ATOM 380 NH2 ARG A 26 8.222 0.695 -12.918 1.00 0.00 N ATOM 0 H ARG A 26 9.198 0.298 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 26 8.442 -1.891 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.729 -1.572 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.713 -0.518 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.712 -3.511 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.464 -2.493 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.429 -2.038 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.432 -3.065 -11.396 1.00 0.00 H new ATOM 0 HE ARG A 26 7.167 -0.500 -11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.343 -2.250 -13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.497 -0.873 -14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.690 1.292 -12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.589 1.076 -13.791 1.00 0.00 H new ATOM 394 N GLU A 27 10.679 -3.027 -8.335 1.00 0.00 N ATOM 395 CA GLU A 27 11.560 -4.190 -8.535 1.00 0.00 C ATOM 396 C GLU A 27 12.496 -4.457 -7.339 1.00 0.00 C ATOM 397 O GLU A 27 12.865 -5.605 -7.084 1.00 0.00 O ATOM 398 CB GLU A 27 12.329 -4.082 -9.866 1.00 0.00 C ATOM 399 CG GLU A 27 13.442 -3.020 -9.966 1.00 0.00 C ATOM 400 CD GLU A 27 12.939 -1.627 -10.376 1.00 0.00 C ATOM 401 OE1 GLU A 27 12.025 -1.081 -9.720 1.00 0.00 O ATOM 402 OE2 GLU A 27 13.452 -1.046 -11.363 1.00 0.00 O ATOM 0 H GLU A 27 10.958 -2.215 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 27 10.913 -5.065 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.774 -5.055 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.605 -3.885 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.946 -2.944 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.186 -3.354 -10.689 1.00 0.00 H new ATOM 409 N GLU A 28 12.858 -3.416 -6.586 1.00 0.00 N ATOM 410 CA GLU A 28 13.648 -3.509 -5.355 1.00 0.00 C ATOM 411 C GLU A 28 12.774 -3.896 -4.158 1.00 0.00 C ATOM 412 O GLU A 28 13.108 -4.823 -3.420 1.00 0.00 O ATOM 413 CB GLU A 28 14.393 -2.188 -5.086 1.00 0.00 C ATOM 414 CG GLU A 28 15.400 -1.804 -6.182 1.00 0.00 C ATOM 415 CD GLU A 28 16.475 -2.891 -6.362 1.00 0.00 C ATOM 416 OE1 GLU A 28 17.250 -3.152 -5.413 1.00 0.00 O ATOM 417 OE2 GLU A 28 16.529 -3.555 -7.422 1.00 0.00 O ATOM 0 H GLU A 28 12.603 -2.457 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 28 14.387 -4.298 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.663 -1.386 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.919 -2.267 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.874 -1.651 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.876 -0.858 -5.925 1.00 0.00 H new ATOM 424 N SER A 29 11.617 -3.246 -3.988 1.00 0.00 N ATOM 425 CA SER A 29 10.701 -3.539 -2.875 1.00 0.00 C ATOM 426 C SER A 29 10.060 -4.916 -2.997 1.00 0.00 C ATOM 427 O SER A 29 9.915 -5.586 -1.978 1.00 0.00 O ATOM 428 CB SER A 29 9.651 -2.439 -2.683 1.00 0.00 C ATOM 429 OG SER A 29 9.198 -1.901 -3.908 1.00 0.00 O ATOM 0 H SER A 29 11.289 -2.508 -4.611 1.00 0.00 H new ATOM 0 HA SER A 29 11.313 -3.556 -1.973 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.802 -2.844 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.074 -1.640 -2.074 1.00 0.00 H new ATOM 0 HG SER A 29 9.579 -1.007 -4.033 1.00 0.00 H new ATOM 435 N GLN A 30 9.782 -5.430 -4.204 1.00 0.00 N ATOM 436 CA GLN A 30 9.241 -6.794 -4.333 1.00 0.00 C ATOM 437 C GLN A 30 10.223 -7.921 -3.965 1.00 0.00 C ATOM 438 O GLN A 30 9.804 -9.070 -3.808 1.00 0.00 O ATOM 439 CB GLN A 30 8.473 -6.992 -5.649 1.00 0.00 C ATOM 440 CG GLN A 30 9.276 -7.077 -6.952 1.00 0.00 C ATOM 441 CD GLN A 30 8.411 -6.781 -8.191 1.00 0.00 C ATOM 442 OE1 GLN A 30 8.913 -6.409 -9.242 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.103 -6.956 -8.150 1.00 0.00 N ATOM 0 H GLN A 30 9.918 -4.937 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 30 8.492 -6.890 -3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.888 -7.907 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.765 -6.169 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.105 -6.370 -6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.711 -8.072 -7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.657 -7.266 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.539 -6.781 -8.982 1.00 0.00 H new ATOM 452 N ARG A 31 11.514 -7.602 -3.791 1.00 0.00 N ATOM 453 CA ARG A 31 12.550 -8.534 -3.306 1.00 0.00 C ATOM 454 C ARG A 31 12.500 -8.653 -1.771 1.00 0.00 C ATOM 455 O ARG A 31 12.675 -9.741 -1.227 1.00 0.00 O ATOM 456 CB ARG A 31 13.923 -8.053 -3.811 1.00 0.00 C ATOM 457 CG ARG A 31 15.001 -9.147 -3.735 1.00 0.00 C ATOM 458 CD ARG A 31 16.400 -8.619 -4.081 1.00 0.00 C ATOM 459 NE ARG A 31 16.445 -7.986 -5.417 1.00 0.00 N ATOM 460 CZ ARG A 31 16.632 -6.707 -5.698 1.00 0.00 C ATOM 461 NH1 ARG A 31 16.863 -5.811 -4.786 1.00 0.00 N ATOM 462 NH2 ARG A 31 16.586 -6.279 -6.923 1.00 0.00 N ATOM 0 H ARG A 31 11.878 -6.669 -3.987 1.00 0.00 H new ATOM 0 HA ARG A 31 12.369 -9.535 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.828 -7.714 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.242 -7.193 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.014 -9.570 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.742 -9.956 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.710 -7.895 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.115 -9.441 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 31 16.317 -8.608 -6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.907 -6.083 -3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.001 -4.836 -5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.404 -6.932 -7.685 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.732 -5.290 -7.123 1.00 0.00 H new ATOM 476 N LEU A 32 12.225 -7.534 -1.083 1.00 0.00 N ATOM 477 CA LEU A 32 12.185 -7.413 0.387 1.00 0.00 C ATOM 478 C LEU A 32 10.797 -7.731 0.970 1.00 0.00 C ATOM 479 O LEU A 32 10.683 -8.482 1.937 1.00 0.00 O ATOM 480 CB LEU A 32 12.632 -5.990 0.797 1.00 0.00 C ATOM 481 CG LEU A 32 14.154 -5.761 0.882 1.00 0.00 C ATOM 482 CD1 LEU A 32 14.890 -5.947 -0.445 1.00 0.00 C ATOM 483 CD2 LEU A 32 14.417 -4.333 1.365 1.00 0.00 C ATOM 0 H LEU A 32 12.016 -6.653 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 32 12.871 -8.152 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.217 -5.280 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.194 -5.758 1.768 1.00 0.00 H new ATOM 0 HG LEU A 32 14.534 -6.514 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.955 -5.768 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.739 -6.965 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.501 -5.241 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.492 -4.162 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.978 -3.625 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.969 -4.193 2.349 1.00 0.00 H new ATOM 495 N ILE A 33 9.726 -7.202 0.367 1.00 0.00 N ATOM 496 CA ILE A 33 8.329 -7.423 0.800 1.00 0.00 C ATOM 497 C ILE A 33 7.829 -8.821 0.356 1.00 0.00 C ATOM 498 O ILE A 33 6.852 -9.346 0.887 1.00 0.00 O ATOM 499 CB ILE A 33 7.437 -6.228 0.347 1.00 0.00 C ATOM 500 CG1 ILE A 33 7.665 -4.940 1.184 1.00 0.00 C ATOM 501 CG2 ILE A 33 5.931 -6.526 0.456 1.00 0.00 C ATOM 502 CD1 ILE A 33 9.066 -4.317 1.143 1.00 0.00 C ATOM 0 H ILE A 33 9.800 -6.597 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 33 8.267 -7.441 1.888 1.00 0.00 H new ATOM 0 HB ILE A 33 7.736 -6.077 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.951 -4.188 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.426 -5.166 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.363 -5.656 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.683 -7.381 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.679 -6.753 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.086 -3.425 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.796 -5.037 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.313 -4.045 0.117 1.00 0.00 H new ATOM 514 N GLY A 34 8.566 -9.502 -0.536 1.00 0.00 N ATOM 515 CA GLY A 34 8.172 -10.792 -1.118 1.00 0.00 C ATOM 516 C GLY A 34 8.778 -12.018 -0.434 1.00 0.00 C ATOM 517 O GLY A 34 8.517 -13.146 -0.852 1.00 0.00 O ATOM 0 H GLY A 34 9.466 -9.165 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.086 -10.874 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.458 -10.802 -2.170 1.00 0.00 H new ATOM 521 N GLN A 35 9.560 -11.814 0.635 1.00 0.00 N ATOM 522 CA GLN A 35 10.112 -12.896 1.462 1.00 0.00 C ATOM 523 C GLN A 35 9.057 -13.404 2.474 1.00 0.00 C ATOM 524 O GLN A 35 9.225 -14.458 3.091 1.00 0.00 O ATOM 525 CB GLN A 35 11.401 -12.370 2.123 1.00 0.00 C ATOM 526 CG GLN A 35 12.212 -13.460 2.843 1.00 0.00 C ATOM 527 CD GLN A 35 13.571 -12.982 3.364 1.00 0.00 C ATOM 528 OE1 GLN A 35 13.943 -11.816 3.304 1.00 0.00 O ATOM 529 NE2 GLN A 35 14.374 -13.873 3.912 1.00 0.00 N ATOM 0 H GLN A 35 9.830 -10.883 0.953 1.00 0.00 H new ATOM 0 HA GLN A 35 10.369 -13.766 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.027 -11.907 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.140 -11.590 2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.627 -13.841 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.369 -14.294 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.086 -14.850 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.283 -13.586 4.275 1.00 0.00 H new ATOM 538 N GLN A 36 7.956 -12.657 2.640 1.00 0.00 N ATOM 539 CA GLN A 36 6.857 -12.954 3.556 1.00 0.00 C ATOM 540 C GLN A 36 5.866 -13.998 2.988 1.00 0.00 C ATOM 541 O GLN A 36 5.692 -14.109 1.772 1.00 0.00 O ATOM 542 CB GLN A 36 6.138 -11.655 3.976 1.00 0.00 C ATOM 543 CG GLN A 36 6.950 -10.738 4.910 1.00 0.00 C ATOM 544 CD GLN A 36 7.658 -9.597 4.182 1.00 0.00 C ATOM 545 OE1 GLN A 36 7.105 -8.524 3.974 1.00 0.00 O ATOM 546 NE2 GLN A 36 8.903 -9.791 3.791 1.00 0.00 N ATOM 0 H GLN A 36 7.805 -11.795 2.116 1.00 0.00 H new ATOM 0 HA GLN A 36 7.293 -13.410 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.876 -11.095 3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.203 -11.918 4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.283 -10.319 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.692 -11.337 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.359 -10.686 3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.409 -9.046 3.313 1.00 0.00 H new ATOM 555 N GLY A 37 5.205 -14.753 3.881 1.00 0.00 N ATOM 556 CA GLY A 37 4.287 -15.860 3.544 1.00 0.00 C ATOM 557 C GLY A 37 2.932 -15.843 4.277 1.00 0.00 C ATOM 558 O GLY A 37 2.286 -16.888 4.399 1.00 0.00 O ATOM 0 H GLY A 37 5.295 -14.608 4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.100 -15.840 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.787 -16.803 3.763 1.00 0.00 H new ATOM 562 N LEU A 38 2.522 -14.684 4.805 1.00 0.00 N ATOM 563 CA LEU A 38 1.256 -14.466 5.529 1.00 0.00 C ATOM 564 C LEU A 38 0.060 -14.281 4.558 1.00 0.00 C ATOM 565 O LEU A 38 0.196 -14.465 3.344 1.00 0.00 O ATOM 566 CB LEU A 38 1.438 -13.247 6.469 1.00 0.00 C ATOM 567 CG LEU A 38 2.383 -13.374 7.686 1.00 0.00 C ATOM 568 CD1 LEU A 38 2.048 -14.583 8.562 1.00 0.00 C ATOM 569 CD2 LEU A 38 3.870 -13.424 7.332 1.00 0.00 C ATOM 0 H LEU A 38 3.083 -13.835 4.739 1.00 0.00 H new ATOM 0 HA LEU A 38 1.017 -15.348 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.793 -12.414 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.453 -12.971 6.845 1.00 0.00 H new ATOM 0 HG LEU A 38 2.206 -12.453 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.741 -14.627 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.029 -14.490 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.136 -15.495 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.459 -13.513 8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.063 -14.284 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.150 -12.510 6.808 1.00 0.00 H new ATOM 581 N VAL A 39 -1.126 -13.932 5.090 1.00 0.00 N ATOM 582 CA VAL A 39 -2.330 -13.600 4.293 1.00 0.00 C ATOM 583 C VAL A 39 -2.044 -12.504 3.275 1.00 0.00 C ATOM 584 O VAL A 39 -1.216 -11.626 3.518 1.00 0.00 O ATOM 585 CB VAL A 39 -3.569 -13.263 5.150 1.00 0.00 C ATOM 586 CG1 VAL A 39 -4.019 -14.482 5.961 1.00 0.00 C ATOM 587 CG2 VAL A 39 -3.377 -12.078 6.102 1.00 0.00 C ATOM 0 H VAL A 39 -1.281 -13.871 6.096 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.583 -14.511 3.751 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.335 -12.972 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.893 -14.220 6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.273 -15.297 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.211 -14.798 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.295 -11.911 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.562 -12.295 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.136 -11.184 5.526 1.00 0.00 H new ATOM 597 N ASP A 40 -2.788 -12.540 2.160 1.00 0.00 N ATOM 598 CA ASP A 40 -2.624 -11.665 0.995 1.00 0.00 C ATOM 599 C ASP A 40 -2.522 -10.156 1.274 1.00 0.00 C ATOM 600 O ASP A 40 -2.018 -9.362 0.479 1.00 0.00 O ATOM 601 CB ASP A 40 -3.824 -11.836 0.066 1.00 0.00 C ATOM 602 CG ASP A 40 -3.867 -13.207 -0.602 1.00 0.00 C ATOM 603 OD1 ASP A 40 -4.482 -14.135 -0.028 1.00 0.00 O ATOM 604 OD2 ASP A 40 -3.296 -13.317 -1.708 1.00 0.00 O ATOM 0 H ASP A 40 -3.551 -13.207 2.043 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.669 -11.978 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.742 -11.686 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.795 -11.064 -0.703 1.00 0.00 H new ATOM 609 N GLY A 41 -2.998 -9.804 2.457 1.00 0.00 N ATOM 610 CA GLY A 41 -3.166 -8.456 2.979 1.00 0.00 C ATOM 611 C GLY A 41 -2.062 -7.928 3.898 1.00 0.00 C ATOM 612 O GLY A 41 -2.301 -6.933 4.567 1.00 0.00 O ATOM 0 H GLY A 41 -3.301 -10.508 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.259 -7.774 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.109 -8.418 3.525 1.00 0.00 H new ATOM 616 N LEU A 42 -0.822 -8.431 3.870 1.00 0.00 N ATOM 617 CA LEU A 42 0.259 -7.876 4.715 1.00 0.00 C ATOM 618 C LEU A 42 1.002 -6.848 3.859 1.00 0.00 C ATOM 619 O LEU A 42 2.103 -7.068 3.363 1.00 0.00 O ATOM 620 CB LEU A 42 1.179 -8.994 5.283 1.00 0.00 C ATOM 621 CG LEU A 42 0.845 -9.524 6.687 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.090 -8.473 7.768 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.575 -10.070 6.779 1.00 0.00 C ATOM 0 H LEU A 42 -0.537 -9.213 3.280 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.143 -7.387 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.159 -9.835 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.202 -8.617 5.297 1.00 0.00 H new ATOM 0 HG LEU A 42 1.527 -10.355 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.841 -8.890 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.139 -8.177 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.465 -7.601 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.761 -10.432 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.285 -9.278 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.696 -10.891 6.072 1.00 0.00 H new ATOM 635 N PHE A 43 0.390 -5.669 3.726 1.00 0.00 N ATOM 636 CA PHE A 43 0.891 -4.632 2.826 1.00 0.00 C ATOM 637 C PHE A 43 1.747 -3.529 3.481 1.00 0.00 C ATOM 638 O PHE A 43 1.795 -3.379 4.705 1.00 0.00 O ATOM 639 CB PHE A 43 -0.323 -4.123 2.018 1.00 0.00 C ATOM 640 CG PHE A 43 -1.237 -3.050 2.610 1.00 0.00 C ATOM 641 CD1 PHE A 43 -0.768 -1.772 2.994 1.00 0.00 C ATOM 642 CD2 PHE A 43 -2.621 -3.305 2.681 1.00 0.00 C ATOM 643 CE1 PHE A 43 -1.651 -0.810 3.516 1.00 0.00 C ATOM 644 CE2 PHE A 43 -3.510 -2.325 3.160 1.00 0.00 C ATOM 645 CZ PHE A 43 -3.023 -1.086 3.600 1.00 0.00 C ATOM 0 H PHE A 43 -0.456 -5.410 4.233 1.00 0.00 H new ATOM 0 HA PHE A 43 1.634 -5.066 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.055 -3.740 1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.945 -4.988 1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.279 -1.532 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.004 -4.264 2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.271 0.143 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.570 -2.528 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.701 -0.348 4.002 1.00 0.00 H new ATOM 655 N LEU A 44 2.446 -2.766 2.635 1.00 0.00 N ATOM 656 CA LEU A 44 3.261 -1.576 2.938 1.00 0.00 C ATOM 657 C LEU A 44 2.807 -0.409 2.039 1.00 0.00 C ATOM 658 O LEU A 44 2.379 -0.638 0.904 1.00 0.00 O ATOM 659 CB LEU A 44 4.756 -1.914 2.714 1.00 0.00 C ATOM 660 CG LEU A 44 5.803 -0.801 2.973 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.855 -0.421 4.451 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.183 -1.317 2.572 1.00 0.00 C ATOM 0 H LEU A 44 2.460 -2.979 1.638 1.00 0.00 H new ATOM 0 HA LEU A 44 3.130 -1.277 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.005 -2.761 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.872 -2.247 1.683 1.00 0.00 H new ATOM 0 HG LEU A 44 5.519 0.074 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.599 0.362 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.877 -0.058 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.126 -1.296 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.928 -0.541 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.428 -2.198 3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.180 -1.580 1.514 1.00 0.00 H new ATOM 674 N VAL A 45 2.912 0.835 2.523 1.00 0.00 N ATOM 675 CA VAL A 45 2.626 2.049 1.734 1.00 0.00 C ATOM 676 C VAL A 45 3.953 2.744 1.428 1.00 0.00 C ATOM 677 O VAL A 45 4.611 3.287 2.311 1.00 0.00 O ATOM 678 CB VAL A 45 1.627 3.000 2.420 1.00 0.00 C ATOM 679 CG1 VAL A 45 1.221 4.131 1.463 1.00 0.00 C ATOM 680 CG2 VAL A 45 0.351 2.261 2.833 1.00 0.00 C ATOM 0 H VAL A 45 3.200 1.033 3.481 1.00 0.00 H new ATOM 0 HA VAL A 45 2.135 1.753 0.807 1.00 0.00 H new ATOM 0 HB VAL A 45 2.124 3.402 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.515 4.794 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.106 4.696 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.753 3.706 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.334 2.959 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.125 1.836 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.603 1.461 3.530 1.00 0.00 H new ATOM 690 N ARG A 46 4.378 2.660 0.171 1.00 0.00 N ATOM 691 CA ARG A 46 5.668 3.157 -0.335 1.00 0.00 C ATOM 692 C ARG A 46 5.452 3.755 -1.701 1.00 0.00 C ATOM 693 O ARG A 46 4.416 3.561 -2.322 1.00 0.00 O ATOM 694 CB ARG A 46 6.715 1.995 -0.275 1.00 0.00 C ATOM 695 CG ARG A 46 7.479 1.525 -1.541 1.00 0.00 C ATOM 696 CD ARG A 46 6.557 0.990 -2.642 1.00 0.00 C ATOM 697 NE ARG A 46 7.238 0.351 -3.783 1.00 0.00 N ATOM 698 CZ ARG A 46 7.333 0.888 -4.983 1.00 0.00 C ATOM 699 NH1 ARG A 46 7.951 1.997 -5.227 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.760 0.315 -5.992 1.00 0.00 N ATOM 0 H ARG A 46 3.814 2.226 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 46 6.079 3.958 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.467 2.284 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.198 1.123 0.125 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.060 2.358 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.188 0.746 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.872 0.267 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.952 1.815 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 46 7.662 -0.565 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.401 2.508 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.989 2.361 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.236 -0.550 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.832 0.728 -6.922 1.00 0.00 H new ATOM 714 N GLU A 47 6.418 4.501 -2.192 1.00 0.00 N ATOM 715 CA GLU A 47 6.363 5.004 -3.556 1.00 0.00 C ATOM 716 C GLU A 47 7.738 4.966 -4.189 1.00 0.00 C ATOM 717 O GLU A 47 8.639 4.263 -3.731 1.00 0.00 O ATOM 718 CB GLU A 47 5.560 6.328 -3.610 1.00 0.00 C ATOM 719 CG GLU A 47 6.212 7.564 -2.964 1.00 0.00 C ATOM 720 CD GLU A 47 5.192 8.596 -2.454 1.00 0.00 C ATOM 721 OE1 GLU A 47 4.178 8.303 -1.821 1.00 0.00 O ATOM 722 OE2 GLU A 47 5.508 9.897 -2.688 1.00 0.00 O ATOM 0 H GLU A 47 7.251 4.775 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 47 5.786 4.351 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.357 6.559 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.597 6.161 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.839 7.242 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.868 8.042 -3.692 1.00 0.00 H new ATOM 730 N SER A 48 7.871 5.681 -5.281 1.00 0.00 N ATOM 731 CA SER A 48 9.072 5.800 -6.062 1.00 0.00 C ATOM 732 C SER A 48 9.272 7.276 -6.322 1.00 0.00 C ATOM 733 O SER A 48 8.320 8.024 -6.560 1.00 0.00 O ATOM 734 CB SER A 48 8.888 5.044 -7.376 1.00 0.00 C ATOM 735 OG SER A 48 9.974 4.164 -7.579 1.00 0.00 O ATOM 0 H SER A 48 7.099 6.224 -5.667 1.00 0.00 H new ATOM 0 HA SER A 48 9.937 5.381 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.953 4.484 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.819 5.749 -8.205 1.00 0.00 H new ATOM 0 HG SER A 48 9.850 3.681 -8.422 1.00 0.00 H new ATOM 741 N GLN A 49 10.536 7.644 -6.408 1.00 0.00 N ATOM 742 CA GLN A 49 10.951 8.991 -6.770 1.00 0.00 C ATOM 743 C GLN A 49 11.239 9.003 -8.308 1.00 0.00 C ATOM 744 O GLN A 49 11.781 9.960 -8.863 1.00 0.00 O ATOM 745 CB GLN A 49 12.044 9.409 -5.752 1.00 0.00 C ATOM 746 CG GLN A 49 13.402 8.702 -5.889 1.00 0.00 C ATOM 747 CD GLN A 49 14.173 8.994 -7.175 1.00 0.00 C ATOM 748 OE1 GLN A 49 14.716 10.073 -7.379 1.00 0.00 O ATOM 749 NE2 GLN A 49 14.277 8.034 -8.075 1.00 0.00 N ATOM 0 H GLN A 49 11.315 7.011 -6.227 1.00 0.00 H new ATOM 0 HA GLN A 49 10.211 9.786 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.206 10.483 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.663 9.229 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.026 8.985 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.240 7.626 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.828 7.132 -7.913 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.806 8.194 -8.932 1.00 0.00 H new ATOM 758 N ARG A 50 10.750 7.933 -8.982 1.00 0.00 N ATOM 759 CA ARG A 50 10.711 7.607 -10.420 1.00 0.00 C ATOM 760 C ARG A 50 9.341 7.955 -11.034 1.00 0.00 C ATOM 761 O ARG A 50 9.279 8.951 -11.757 1.00 0.00 O ATOM 762 CB ARG A 50 11.107 6.123 -10.605 1.00 0.00 C ATOM 763 CG ARG A 50 11.018 5.636 -12.062 1.00 0.00 C ATOM 764 CD ARG A 50 11.654 4.253 -12.256 1.00 0.00 C ATOM 765 NE ARG A 50 10.921 3.160 -11.574 1.00 0.00 N ATOM 766 CZ ARG A 50 11.397 1.944 -11.352 1.00 0.00 C ATOM 767 NH1 ARG A 50 12.604 1.587 -11.666 1.00 0.00 N ATOM 768 NH2 ARG A 50 10.680 1.020 -10.802 1.00 0.00 N ATOM 0 H ARG A 50 10.315 7.179 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 50 11.433 8.217 -10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.126 5.981 -10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.460 5.503 -9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.972 5.598 -12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.514 6.356 -12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.707 4.033 -13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.679 4.279 -11.885 1.00 0.00 H new ATOM 0 HE ARG A 50 9.975 3.360 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.236 2.256 -12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.921 0.637 -11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.718 1.218 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.076 0.093 -10.645 1.00 0.00 H new ATOM 782 N ASN A 51 8.246 7.213 -10.768 1.00 0.00 N ATOM 783 CA ASN A 51 6.916 7.614 -11.264 1.00 0.00 C ATOM 784 C ASN A 51 6.475 9.032 -10.791 1.00 0.00 C ATOM 785 O ASN A 51 6.675 9.368 -9.620 1.00 0.00 O ATOM 786 CB ASN A 51 5.872 6.575 -10.849 1.00 0.00 C ATOM 787 CG ASN A 51 5.649 5.579 -11.970 1.00 0.00 C ATOM 788 OD1 ASN A 51 4.894 5.821 -12.903 1.00 0.00 O ATOM 789 ND2 ASN A 51 6.366 4.490 -11.960 1.00 0.00 N ATOM 0 H ASN A 51 8.255 6.350 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 51 6.992 7.663 -12.350 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.204 6.054 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.933 7.071 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.301 3.830 -12.735 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.992 4.299 -11.178 1.00 0.00 H new ATOM 796 N PRO A 52 5.812 9.847 -11.644 1.00 0.00 N ATOM 797 CA PRO A 52 5.412 11.229 -11.318 1.00 0.00 C ATOM 798 C PRO A 52 4.062 11.364 -10.577 1.00 0.00 C ATOM 799 O PRO A 52 3.787 12.403 -9.975 1.00 0.00 O ATOM 800 CB PRO A 52 5.374 11.940 -12.675 1.00 0.00 C ATOM 801 CG PRO A 52 4.930 10.839 -13.636 1.00 0.00 C ATOM 802 CD PRO A 52 5.615 9.595 -13.069 1.00 0.00 C ATOM 0 HA PRO A 52 6.119 11.664 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.675 12.777 -12.671 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.350 12.341 -12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.846 10.731 -13.653 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.246 11.044 -14.659 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.001 8.708 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.568 9.415 -13.567 1.00 0.00 H new ATOM 810 N GLN A 53 3.221 10.323 -10.611 1.00 0.00 N ATOM 811 CA GLN A 53 1.871 10.249 -10.010 1.00 0.00 C ATOM 812 C GLN A 53 1.820 9.135 -8.943 1.00 0.00 C ATOM 813 O GLN A 53 0.741 8.620 -8.638 1.00 0.00 O ATOM 814 CB GLN A 53 0.831 10.044 -11.133 1.00 0.00 C ATOM 815 CG GLN A 53 0.778 11.234 -12.107 1.00 0.00 C ATOM 816 CD GLN A 53 -0.297 11.061 -13.179 1.00 0.00 C ATOM 817 OE1 GLN A 53 -1.357 11.671 -13.142 1.00 0.00 O ATOM 818 NE2 GLN A 53 -0.070 10.232 -14.180 1.00 0.00 N ATOM 0 H GLN A 53 3.473 9.456 -11.085 1.00 0.00 H new ATOM 0 HA GLN A 53 1.632 11.181 -9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.071 9.136 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.154 9.896 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.586 12.150 -11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.750 11.351 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.809 9.716 -14.226 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.773 10.107 -14.908 1.00 0.00 H new ATOM 827 N GLY A 54 2.965 8.798 -8.324 1.00 0.00 N ATOM 828 CA GLY A 54 3.060 7.657 -7.420 1.00 0.00 C ATOM 829 C GLY A 54 2.980 7.821 -5.912 1.00 0.00 C ATOM 830 O GLY A 54 3.734 8.539 -5.259 1.00 0.00 O ATOM 0 H GLY A 54 3.840 9.310 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.269 6.963 -7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.008 7.164 -7.634 1.00 0.00 H new ATOM 834 N PHE A 55 2.036 7.028 -5.429 1.00 0.00 N ATOM 835 CA PHE A 55 1.636 6.702 -4.060 1.00 0.00 C ATOM 836 C PHE A 55 1.251 5.208 -4.146 1.00 0.00 C ATOM 837 O PHE A 55 0.128 4.928 -4.561 1.00 0.00 O ATOM 838 CB PHE A 55 0.467 7.619 -3.627 1.00 0.00 C ATOM 839 CG PHE A 55 0.693 9.102 -3.866 1.00 0.00 C ATOM 840 CD1 PHE A 55 1.326 9.898 -2.890 1.00 0.00 C ATOM 841 CD2 PHE A 55 0.294 9.686 -5.086 1.00 0.00 C ATOM 842 CE1 PHE A 55 1.567 11.262 -3.139 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.547 11.046 -5.340 1.00 0.00 C ATOM 844 CZ PHE A 55 1.181 11.836 -4.365 1.00 0.00 C ATOM 0 H PHE A 55 1.442 6.521 -6.086 1.00 0.00 H new ATOM 0 HA PHE A 55 2.409 6.862 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.432 7.313 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.276 7.462 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.627 9.460 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.209 9.085 -5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.049 11.870 -2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.254 11.483 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.372 12.882 -4.556 1.00 0.00 H new ATOM 854 N VAL A 56 2.139 4.241 -3.857 1.00 0.00 N ATOM 855 CA VAL A 56 1.839 2.801 -4.067 1.00 0.00 C ATOM 856 C VAL A 56 1.405 2.058 -2.800 1.00 0.00 C ATOM 857 O VAL A 56 1.962 2.207 -1.709 1.00 0.00 O ATOM 858 CB VAL A 56 2.908 1.979 -4.880 1.00 0.00 C ATOM 859 CG1 VAL A 56 4.104 2.786 -5.413 1.00 0.00 C ATOM 860 CG2 VAL A 56 3.530 0.821 -4.093 1.00 0.00 C ATOM 0 H VAL A 56 3.069 4.422 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 56 0.971 2.856 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 56 2.295 1.626 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.777 2.123 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.746 3.568 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.638 3.240 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.256 0.303 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.029 1.211 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.748 0.124 -3.792 1.00 0.00 H new ATOM 870 N LEU A 57 0.401 1.206 -2.984 1.00 0.00 N ATOM 871 CA LEU A 57 -0.070 0.260 -1.982 1.00 0.00 C ATOM 872 C LEU A 57 0.643 -1.015 -2.466 1.00 0.00 C ATOM 873 O LEU A 57 0.502 -1.371 -3.633 1.00 0.00 O ATOM 874 CB LEU A 57 -1.610 0.183 -1.964 1.00 0.00 C ATOM 875 CG LEU A 57 -2.200 -0.524 -0.732 1.00 0.00 C ATOM 876 CD1 LEU A 57 -3.721 -0.593 -0.871 1.00 0.00 C ATOM 877 CD2 LEU A 57 -1.666 -1.948 -0.575 1.00 0.00 C ATOM 0 H LEU A 57 -0.121 1.154 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 57 0.152 0.500 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.012 1.195 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.945 -0.338 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.908 0.051 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.144 -1.093 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.126 0.416 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.979 -1.151 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.110 -2.408 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.924 -2.533 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.582 -1.920 -0.463 1.00 0.00 H new ATOM 889 N SER A 58 1.479 -1.645 -1.644 1.00 0.00 N ATOM 890 CA SER A 58 2.303 -2.797 -2.046 1.00 0.00 C ATOM 891 C SER A 58 1.878 -3.948 -1.158 1.00 0.00 C ATOM 892 O SER A 58 2.046 -3.856 0.051 1.00 0.00 O ATOM 893 CB SER A 58 3.797 -2.455 -1.985 1.00 0.00 C ATOM 894 OG SER A 58 4.165 -1.863 -0.756 1.00 0.00 O ATOM 0 H SER A 58 1.609 -1.373 -0.670 1.00 0.00 H new ATOM 0 HA SER A 58 2.148 -3.081 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.381 -3.363 -2.137 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.045 -1.776 -2.801 1.00 0.00 H new ATOM 0 HG SER A 58 3.361 -1.553 -0.289 1.00 0.00 H new ATOM 900 N LEU A 59 1.427 -5.056 -1.740 1.00 0.00 N ATOM 901 CA LEU A 59 0.823 -6.164 -0.996 1.00 0.00 C ATOM 902 C LEU A 59 1.775 -7.297 -0.632 1.00 0.00 C ATOM 903 O LEU A 59 2.945 -7.288 -0.992 1.00 0.00 O ATOM 904 CB LEU A 59 -0.264 -6.759 -1.920 1.00 0.00 C ATOM 905 CG LEU A 59 -1.430 -5.840 -2.310 1.00 0.00 C ATOM 906 CD1 LEU A 59 -2.256 -6.609 -3.338 1.00 0.00 C ATOM 907 CD2 LEU A 59 -2.289 -5.486 -1.099 1.00 0.00 C ATOM 0 H LEU A 59 1.469 -5.214 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 59 0.459 -5.759 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.220 -7.099 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.677 -7.641 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.058 -4.899 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.104 -6.000 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.635 -6.842 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.620 -7.535 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.105 -4.834 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.698 -6.398 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.678 -4.973 -0.357 1.00 0.00 H new ATOM 919 N CYS A 60 1.239 -8.281 0.089 1.00 0.00 N ATOM 920 CA CYS A 60 1.963 -9.512 0.416 1.00 0.00 C ATOM 921 C CYS A 60 1.022 -10.644 0.025 1.00 0.00 C ATOM 922 O CYS A 60 0.464 -11.335 0.876 1.00 0.00 O ATOM 923 CB CYS A 60 2.422 -9.543 1.874 1.00 0.00 C ATOM 924 SG CYS A 60 3.133 -11.159 2.292 1.00 0.00 S ATOM 0 H CYS A 60 0.291 -8.249 0.464 1.00 0.00 H new ATOM 0 HA CYS A 60 2.901 -9.601 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.162 -8.760 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.578 -9.331 2.530 1.00 0.00 H new ATOM 0 HG CYS A 60 2.323 -12.101 1.911 1.00 0.00 H new ATOM 930 N HIS A 61 0.771 -10.755 -1.285 1.00 0.00 N ATOM 931 CA HIS A 61 -0.202 -11.697 -1.813 1.00 0.00 C ATOM 932 C HIS A 61 0.312 -13.148 -1.705 1.00 0.00 C ATOM 933 O HIS A 61 1.373 -13.420 -1.131 1.00 0.00 O ATOM 934 CB HIS A 61 -0.675 -11.161 -3.170 1.00 0.00 C ATOM 935 CG HIS A 61 -1.075 -12.103 -4.277 1.00 0.00 C ATOM 936 ND1 HIS A 61 -0.201 -12.812 -5.108 1.00 0.00 N ATOM 937 CD2 HIS A 61 -2.355 -12.419 -4.621 1.00 0.00 C ATOM 938 CE1 HIS A 61 -0.981 -13.522 -5.940 1.00 0.00 C ATOM 939 NE2 HIS A 61 -2.276 -13.306 -5.669 1.00 0.00 N ATOM 0 H HIS A 61 1.237 -10.195 -1.998 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.114 -11.772 -1.220 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.530 -10.512 -2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.123 -10.529 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.257 -12.045 -4.160 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.616 -14.176 -6.718 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.067 -13.727 -6.156 1.00 0.00 H new ATOM 947 N LEU A 62 -0.413 -14.081 -2.309 1.00 0.00 N ATOM 948 CA LEU A 62 -0.153 -15.536 -2.198 1.00 0.00 C ATOM 949 C LEU A 62 0.630 -16.220 -3.268 1.00 0.00 C ATOM 950 O LEU A 62 0.823 -17.438 -3.208 1.00 0.00 O ATOM 951 CB LEU A 62 -1.355 -16.306 -1.605 1.00 0.00 C ATOM 952 CG LEU A 62 -2.282 -17.014 -2.618 1.00 0.00 C ATOM 953 CD1 LEU A 62 -3.512 -17.563 -1.896 1.00 0.00 C ATOM 954 CD2 LEU A 62 -2.760 -16.127 -3.767 1.00 0.00 C ATOM 0 H LEU A 62 -1.213 -13.859 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 62 0.635 -15.582 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.973 -17.054 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.955 -15.607 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.678 -17.807 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.163 -18.061 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.198 -18.277 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.053 -16.743 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.405 -16.705 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.317 -15.281 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.899 -15.762 -4.327 1.00 0.00 H new ATOM 966 N GLN A 63 1.151 -15.413 -4.180 1.00 0.00 N ATOM 967 CA GLN A 63 2.093 -15.940 -5.136 1.00 0.00 C ATOM 968 C GLN A 63 3.173 -14.937 -5.534 1.00 0.00 C ATOM 969 O GLN A 63 4.277 -15.342 -5.911 1.00 0.00 O ATOM 970 CB GLN A 63 1.448 -16.556 -6.399 1.00 0.00 C ATOM 971 CG GLN A 63 0.444 -17.704 -6.202 1.00 0.00 C ATOM 972 CD GLN A 63 -0.104 -18.259 -7.521 1.00 0.00 C ATOM 973 OE1 GLN A 63 0.109 -17.734 -8.608 1.00 0.00 O ATOM 974 NE2 GLN A 63 -0.852 -19.344 -7.477 1.00 0.00 N ATOM 0 H GLN A 63 0.941 -14.419 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 63 2.568 -16.757 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.942 -15.757 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.250 -16.919 -7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.927 -18.510 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.387 -17.351 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.042 -19.797 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.241 -19.731 -8.337 1.00 0.00 H new ATOM 983 N LYS A 64 2.872 -13.638 -5.436 1.00 0.00 N ATOM 984 CA LYS A 64 3.832 -12.558 -5.676 1.00 0.00 C ATOM 985 C LYS A 64 3.497 -11.317 -4.844 1.00 0.00 C ATOM 986 O LYS A 64 2.518 -11.314 -4.099 1.00 0.00 O ATOM 987 CB LYS A 64 3.831 -12.240 -7.186 1.00 0.00 C ATOM 988 CG LYS A 64 2.494 -11.624 -7.658 1.00 0.00 C ATOM 989 CD LYS A 64 2.038 -12.180 -9.022 1.00 0.00 C ATOM 990 CE LYS A 64 1.635 -13.667 -8.964 1.00 0.00 C ATOM 991 NZ LYS A 64 1.271 -14.201 -10.310 1.00 0.00 N ATOM 0 H LYS A 64 1.942 -13.304 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 64 4.828 -12.876 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.645 -11.550 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.025 -13.154 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.723 -11.821 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.601 -10.541 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.192 -11.594 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.843 -12.056 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.459 -14.250 -8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.790 -13.787 -8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.007 -15.203 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.468 -13.662 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.085 -14.110 -10.951 1.00 0.00 H new ATOM 1005 N VAL A 65 4.271 -10.245 -4.999 1.00 0.00 N ATOM 1006 CA VAL A 65 3.994 -8.946 -4.365 1.00 0.00 C ATOM 1007 C VAL A 65 3.947 -7.845 -5.436 1.00 0.00 C ATOM 1008 O VAL A 65 4.931 -7.559 -6.122 1.00 0.00 O ATOM 1009 CB VAL A 65 4.885 -8.667 -3.142 1.00 0.00 C ATOM 1010 CG1 VAL A 65 4.767 -9.818 -2.138 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.354 -8.432 -3.422 1.00 0.00 C ATOM 0 H VAL A 65 5.115 -10.247 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 65 3.001 -8.966 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 65 4.504 -7.725 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.400 -9.614 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.731 -9.913 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.086 -10.747 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.878 -8.246 -2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.777 -9.312 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.466 -7.568 -4.077 1.00 0.00 H new ATOM 1021 N LYS A 66 2.741 -7.283 -5.594 1.00 0.00 N ATOM 1022 CA LYS A 66 2.334 -6.288 -6.606 1.00 0.00 C ATOM 1023 C LYS A 66 2.055 -4.916 -5.977 1.00 0.00 C ATOM 1024 O LYS A 66 1.830 -4.831 -4.768 1.00 0.00 O ATOM 1025 CB LYS A 66 1.168 -6.872 -7.429 1.00 0.00 C ATOM 1026 CG LYS A 66 -0.101 -7.141 -6.595 1.00 0.00 C ATOM 1027 CD LYS A 66 -1.167 -7.963 -7.342 1.00 0.00 C ATOM 1028 CE LYS A 66 -0.770 -9.447 -7.466 1.00 0.00 C ATOM 1029 NZ LYS A 66 -1.837 -10.248 -8.142 1.00 0.00 N ATOM 0 H LYS A 66 1.967 -7.526 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 66 3.152 -6.092 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.923 -6.182 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.492 -7.804 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.179 -7.668 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.535 -6.188 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.119 -7.885 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.317 -7.544 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.160 -9.530 -8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.579 -9.857 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.536 -11.241 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.717 -10.189 -7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.001 -9.872 -9.098 1.00 0.00 H new ATOM 1043 N HIS A 67 2.033 -3.865 -6.801 1.00 0.00 N ATOM 1044 CA HIS A 67 1.920 -2.459 -6.368 1.00 0.00 C ATOM 1045 C HIS A 67 0.763 -1.658 -7.019 1.00 0.00 C ATOM 1046 O HIS A 67 0.303 -2.004 -8.093 1.00 0.00 O ATOM 1047 CB HIS A 67 3.282 -1.819 -6.670 1.00 0.00 C ATOM 1048 CG HIS A 67 4.505 -2.520 -6.128 1.00 0.00 C ATOM 1049 ND1 HIS A 67 5.223 -2.149 -4.989 1.00 0.00 N ATOM 1050 CD2 HIS A 67 5.163 -3.546 -6.739 1.00 0.00 C ATOM 1051 CE1 HIS A 67 6.253 -3.009 -4.903 1.00 0.00 C ATOM 1052 NE2 HIS A 67 6.260 -3.833 -5.960 1.00 0.00 N ATOM 0 H HIS A 67 2.095 -3.965 -7.814 1.00 0.00 H new ATOM 0 HA HIS A 67 1.666 -2.437 -5.308 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.388 -1.742 -7.752 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.273 -0.802 -6.278 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.878 -4.038 -7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.972 -3.032 -4.097 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.959 -4.550 -6.154 1.00 0.00 H new ATOM 1060 N TYR A 68 0.307 -0.547 -6.422 1.00 0.00 N ATOM 1061 CA TYR A 68 -0.868 0.257 -6.869 1.00 0.00 C ATOM 1062 C TYR A 68 -0.559 1.782 -6.959 1.00 0.00 C ATOM 1063 O TYR A 68 -0.848 2.480 -5.997 1.00 0.00 O ATOM 1064 CB TYR A 68 -2.000 0.056 -5.827 1.00 0.00 C ATOM 1065 CG TYR A 68 -2.752 -1.261 -5.736 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -2.096 -2.450 -5.372 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -4.157 -1.260 -5.859 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -2.829 -3.627 -5.159 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -4.900 -2.432 -5.613 1.00 0.00 C ATOM 1070 CZ TYR A 68 -4.234 -3.623 -5.258 1.00 0.00 C ATOM 1071 OH TYR A 68 -4.931 -4.769 -5.035 1.00 0.00 O ATOM 0 H TYR A 68 0.751 -0.161 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.148 -0.082 -7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.568 0.246 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.741 0.835 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.022 -2.457 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.668 -0.353 -6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.312 -4.544 -4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.977 -2.418 -5.696 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.751 -4.763 -5.572 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.021 2.340 -8.066 1.00 0.00 N ATOM 1082 CA LEU A 69 0.403 3.789 -8.094 1.00 0.00 C ATOM 1083 C LEU A 69 0.198 4.682 -9.335 1.00 0.00 C ATOM 1084 O LEU A 69 0.888 5.693 -9.455 1.00 0.00 O ATOM 1085 CB LEU A 69 1.902 3.814 -7.736 1.00 0.00 C ATOM 1086 CG LEU A 69 3.029 3.691 -8.795 1.00 0.00 C ATOM 1087 CD1 LEU A 69 2.708 3.384 -10.262 1.00 0.00 C ATOM 1088 CD2 LEU A 69 4.038 4.814 -8.756 1.00 0.00 C ATOM 0 H LEU A 69 0.134 1.838 -8.940 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.300 4.247 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.077 4.750 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.062 3.008 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 69 3.433 2.751 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.634 3.340 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.194 2.425 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.068 4.168 -10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.792 4.653 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.533 5.763 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.519 4.837 -7.778 1.00 0.00 H new ATOM 1100 N ILE A 70 -0.797 4.461 -10.186 1.00 0.00 N ATOM 1101 CA ILE A 70 -0.842 5.193 -11.470 1.00 0.00 C ATOM 1102 C ILE A 70 -1.716 6.452 -11.513 1.00 0.00 C ATOM 1103 O ILE A 70 -1.521 7.275 -12.411 1.00 0.00 O ATOM 1104 CB ILE A 70 -1.197 4.144 -12.565 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -0.154 2.988 -12.529 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -1.261 4.739 -13.983 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -0.512 1.740 -13.329 1.00 0.00 C ATOM 0 H ILE A 70 -1.564 3.807 -10.030 1.00 0.00 H new ATOM 0 HA ILE A 70 0.138 5.637 -11.645 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.196 3.773 -12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.797 3.372 -12.898 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.001 2.697 -11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.513 3.954 -14.696 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.023 5.518 -14.017 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.293 5.167 -14.242 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.286 1.004 -13.231 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.443 1.319 -12.949 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.635 2.004 -14.379 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.601 6.677 -10.534 1.00 0.00 N ATOM 1120 CA LEU A 71 -3.551 7.796 -10.584 1.00 0.00 C ATOM 1121 C LEU A 71 -3.544 8.694 -9.318 1.00 0.00 C ATOM 1122 O LEU A 71 -3.359 8.183 -8.207 1.00 0.00 O ATOM 1123 CB LEU A 71 -4.955 7.206 -10.883 1.00 0.00 C ATOM 1124 CG LEU A 71 -5.051 6.122 -11.992 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -6.400 5.411 -11.939 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -4.868 6.653 -13.411 1.00 0.00 C ATOM 0 H LEU A 71 -2.679 6.099 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.245 8.477 -11.378 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.345 6.779 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.615 8.029 -11.157 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.226 5.442 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.445 4.656 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.521 4.931 -10.968 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.200 6.137 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.950 5.830 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.638 7.394 -13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.885 7.115 -13.503 1.00 0.00 H new ATOM 1138 N PRO A 72 -3.751 10.022 -9.466 1.00 0.00 N ATOM 1139 CA PRO A 72 -3.826 10.991 -8.365 1.00 0.00 C ATOM 1140 C PRO A 72 -5.236 11.038 -7.741 1.00 0.00 C ATOM 1141 O PRO A 72 -6.096 10.209 -8.041 1.00 0.00 O ATOM 1142 CB PRO A 72 -3.431 12.320 -9.028 1.00 0.00 C ATOM 1143 CG PRO A 72 -4.077 12.206 -10.406 1.00 0.00 C ATOM 1144 CD PRO A 72 -3.879 10.728 -10.740 1.00 0.00 C ATOM 0 HA PRO A 72 -3.174 10.738 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.808 13.179 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.349 12.434 -9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.132 12.480 -10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.594 12.856 -11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.724 10.344 -11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.989 10.586 -11.352 1.00 0.00 H new ATOM 1152 N SER A 73 -5.506 12.007 -6.858 1.00 0.00 N ATOM 1153 CA SER A 73 -6.846 12.220 -6.281 1.00 0.00 C ATOM 1154 C SER A 73 -7.847 12.808 -7.292 1.00 0.00 C ATOM 1155 O SER A 73 -7.455 13.593 -8.160 1.00 0.00 O ATOM 1156 CB SER A 73 -6.772 13.116 -5.038 1.00 0.00 C ATOM 1157 OG SER A 73 -5.916 12.536 -4.067 1.00 0.00 O ATOM 0 H SER A 73 -4.805 12.667 -6.521 1.00 0.00 H new ATOM 0 HA SER A 73 -7.214 11.234 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.404 14.104 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.769 13.253 -4.619 1.00 0.00 H new ATOM 0 HG SER A 73 -5.875 13.117 -3.279 1.00 0.00 H new ATOM 1163 N GLU A 74 -9.140 12.463 -7.178 1.00 0.00 N ATOM 1164 CA GLU A 74 -10.213 12.976 -8.059 1.00 0.00 C ATOM 1165 C GLU A 74 -11.430 13.498 -7.267 1.00 0.00 C ATOM 1166 O GLU A 74 -11.450 13.481 -6.036 1.00 0.00 O ATOM 1167 CB GLU A 74 -10.628 11.878 -9.070 1.00 0.00 C ATOM 1168 CG GLU A 74 -9.467 11.442 -9.989 1.00 0.00 C ATOM 1169 CD GLU A 74 -9.902 10.524 -11.136 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -11.050 10.399 -11.553 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -8.893 9.828 -11.708 1.00 0.00 O ATOM 0 H GLU A 74 -9.477 11.815 -6.467 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.817 13.833 -8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.000 11.010 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.451 12.246 -9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.992 12.330 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.714 10.929 -9.390 1.00 0.00 H new ATOM 1179 N GLU A 75 -12.475 13.933 -7.983 1.00 0.00 N ATOM 1180 CA GLU A 75 -13.767 14.363 -7.412 1.00 0.00 C ATOM 1181 C GLU A 75 -14.831 13.245 -7.487 1.00 0.00 C ATOM 1182 O GLU A 75 -15.918 13.371 -6.920 1.00 0.00 O ATOM 1183 CB GLU A 75 -14.251 15.640 -8.120 1.00 0.00 C ATOM 1184 CG GLU A 75 -13.312 16.832 -7.892 1.00 0.00 C ATOM 1185 CD GLU A 75 -13.878 18.113 -8.531 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -13.598 18.378 -9.727 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -14.601 18.874 -7.842 1.00 0.00 O ATOM 0 H GLU A 75 -12.449 13.999 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.616 14.581 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.336 15.448 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.249 15.894 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.170 16.988 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.332 16.613 -8.315 1.00 0.00 H new ATOM 1194 N GLU A 76 -14.501 12.115 -8.128 1.00 0.00 N ATOM 1195 CA GLU A 76 -15.321 10.890 -8.219 1.00 0.00 C ATOM 1196 C GLU A 76 -14.861 9.816 -7.199 1.00 0.00 C ATOM 1197 O GLU A 76 -15.175 8.630 -7.308 1.00 0.00 O ATOM 1198 CB GLU A 76 -15.305 10.384 -9.677 1.00 0.00 C ATOM 1199 CG GLU A 76 -16.594 9.633 -10.021 1.00 0.00 C ATOM 1200 CD GLU A 76 -16.542 8.977 -11.413 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -16.539 9.703 -12.438 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -16.531 7.721 -11.486 1.00 0.00 O ATOM 0 H GLU A 76 -13.613 12.022 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.352 11.118 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.182 11.228 -10.355 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.448 9.727 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.775 8.866 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.435 10.325 -9.980 1.00 0.00 H new ATOM 1209 N GLY A 77 -14.068 10.238 -6.211 1.00 0.00 N ATOM 1210 CA GLY A 77 -13.417 9.418 -5.189 1.00 0.00 C ATOM 1211 C GLY A 77 -12.457 10.279 -4.373 1.00 0.00 C ATOM 1212 O GLY A 77 -12.640 11.494 -4.286 1.00 0.00 O ATOM 0 H GLY A 77 -13.850 11.228 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.166 8.972 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.875 8.597 -5.659 1.00 0.00 H new ATOM 1216 N ARG A 78 -11.453 9.666 -3.742 1.00 0.00 N ATOM 1217 CA ARG A 78 -10.362 10.362 -3.019 1.00 0.00 C ATOM 1218 C ARG A 78 -9.077 10.029 -3.775 1.00 0.00 C ATOM 1219 O ARG A 78 -9.055 10.263 -4.982 1.00 0.00 O ATOM 1220 CB ARG A 78 -10.369 10.006 -1.519 1.00 0.00 C ATOM 1221 CG ARG A 78 -11.680 10.252 -0.746 1.00 0.00 C ATOM 1222 CD ARG A 78 -11.978 11.734 -0.459 1.00 0.00 C ATOM 1223 NE ARG A 78 -12.264 12.478 -1.698 1.00 0.00 N ATOM 1224 CZ ARG A 78 -12.120 13.767 -1.937 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -11.874 14.626 -0.989 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -12.211 14.201 -3.160 1.00 0.00 N ATOM 0 H ARG A 78 -11.365 8.650 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.481 11.445 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.111 8.952 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.577 10.575 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.508 9.831 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.637 9.712 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.830 11.810 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.126 12.186 0.049 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.621 11.922 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.787 14.309 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.769 15.616 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.392 13.547 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.102 15.196 -3.358 1.00 0.00 H new ATOM 1240 N LEU A 79 -8.032 9.506 -3.123 1.00 0.00 N ATOM 1241 CA LEU A 79 -6.819 9.036 -3.810 1.00 0.00 C ATOM 1242 C LEU A 79 -7.300 7.930 -4.765 1.00 0.00 C ATOM 1243 O LEU A 79 -7.823 6.918 -4.298 1.00 0.00 O ATOM 1244 CB LEU A 79 -5.785 8.496 -2.802 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.942 9.560 -2.068 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -5.760 10.447 -1.129 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -3.872 8.857 -1.231 1.00 0.00 C ATOM 0 H LEU A 79 -8.001 9.396 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.318 9.841 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.310 7.899 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.108 7.824 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.513 10.200 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.102 11.171 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.524 10.974 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.238 9.829 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.271 9.602 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.351 8.202 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.230 8.266 -1.884 1.00 0.00 H new ATOM 1259 N TYR A 80 -7.187 8.112 -6.085 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.758 7.159 -7.039 1.00 0.00 C ATOM 1261 C TYR A 80 -6.959 5.856 -7.187 1.00 0.00 C ATOM 1262 O TYR A 80 -5.750 5.874 -7.419 1.00 0.00 O ATOM 1263 CB TYR A 80 -8.064 7.838 -8.377 1.00 0.00 C ATOM 1264 CG TYR A 80 -9.222 7.221 -9.137 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -9.076 5.987 -9.797 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -10.456 7.894 -9.189 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -10.146 5.441 -10.534 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -11.518 7.373 -9.949 1.00 0.00 C ATOM 1269 CZ TYR A 80 -11.366 6.144 -10.621 1.00 0.00 C ATOM 1270 OH TYR A 80 -12.416 5.622 -11.308 1.00 0.00 O ATOM 0 H TYR A 80 -6.709 8.905 -6.513 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.706 6.831 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.283 8.890 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.172 7.801 -9.003 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.138 5.455 -9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.588 8.816 -8.642 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.032 4.488 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -12.450 7.915 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.377 4.643 -11.271 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.669 4.724 -7.110 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.136 3.387 -7.324 1.00 0.00 C ATOM 1282 C PHE A 81 -8.070 2.416 -8.014 1.00 0.00 C ATOM 1283 O PHE A 81 -9.291 2.543 -7.966 1.00 0.00 O ATOM 1284 CB PHE A 81 -6.542 2.709 -6.077 1.00 0.00 C ATOM 1285 CG PHE A 81 -5.620 3.528 -5.189 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -4.231 3.548 -5.428 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -6.137 4.214 -4.073 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -3.373 4.240 -4.552 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -5.279 4.903 -3.199 1.00 0.00 C ATOM 1290 CZ PHE A 81 -3.895 4.918 -3.438 1.00 0.00 C ATOM 0 H PHE A 81 -8.665 4.721 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.319 3.610 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.370 2.356 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.992 1.828 -6.407 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.824 3.031 -6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.201 4.211 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.309 4.250 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.684 5.422 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.235 5.449 -2.768 1.00 0.00 H new ATOM 1300 N SER A 82 -7.436 1.435 -8.640 1.00 0.00 N ATOM 1301 CA SER A 82 -8.026 0.284 -9.288 1.00 0.00 C ATOM 1302 C SER A 82 -7.101 -0.939 -9.129 1.00 0.00 C ATOM 1303 O SER A 82 -6.177 -0.987 -8.323 1.00 0.00 O ATOM 1304 CB SER A 82 -8.464 0.619 -10.725 1.00 0.00 C ATOM 1305 OG SER A 82 -7.370 0.938 -11.547 1.00 0.00 O ATOM 0 H SER A 82 -6.418 1.427 -8.711 1.00 0.00 H new ATOM 0 HA SER A 82 -8.956 0.001 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.000 -0.231 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.160 1.458 -10.706 1.00 0.00 H new ATOM 0 HG SER A 82 -7.689 1.143 -12.451 1.00 0.00 H new ATOM 1311 N MET A 83 -7.388 -1.925 -9.949 1.00 0.00 N ATOM 1312 CA MET A 83 -6.955 -3.306 -10.134 1.00 0.00 C ATOM 1313 C MET A 83 -7.232 -3.729 -11.583 1.00 0.00 C ATOM 1314 O MET A 83 -7.695 -2.927 -12.397 1.00 0.00 O ATOM 1315 CB MET A 83 -7.671 -4.249 -9.142 1.00 0.00 C ATOM 1316 CG MET A 83 -7.353 -3.967 -7.674 1.00 0.00 C ATOM 1317 SD MET A 83 -7.749 -5.304 -6.508 1.00 0.00 S ATOM 1318 CE MET A 83 -9.560 -5.365 -6.599 1.00 0.00 C ATOM 0 H MET A 83 -8.090 -1.729 -10.662 1.00 0.00 H new ATOM 0 HA MET A 83 -5.886 -3.375 -9.935 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.748 -4.167 -9.292 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.395 -5.278 -9.371 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.290 -3.739 -7.589 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.896 -3.072 -7.370 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.932 -6.143 -5.932 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.972 -4.402 -6.298 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.866 -5.587 -7.621 1.00 0.00 H new ATOM 1328 N ASP A 84 -7.015 -5.012 -11.893 1.00 0.00 N ATOM 1329 CA ASP A 84 -7.395 -5.550 -13.206 1.00 0.00 C ATOM 1330 C ASP A 84 -8.939 -5.642 -13.303 1.00 0.00 C ATOM 1331 O ASP A 84 -9.498 -5.478 -14.391 1.00 0.00 O ATOM 1332 CB ASP A 84 -6.716 -6.902 -13.454 1.00 0.00 C ATOM 1333 CG ASP A 84 -6.974 -7.410 -14.883 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -6.431 -6.816 -15.845 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -7.698 -8.422 -15.046 1.00 0.00 O ATOM 0 H ASP A 84 -6.585 -5.690 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.050 -4.876 -13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.643 -6.807 -13.289 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.085 -7.633 -12.735 1.00 0.00 H new ATOM 1340 N ASP A 85 -9.639 -5.843 -12.166 1.00 0.00 N ATOM 1341 CA ASP A 85 -11.115 -5.839 -12.080 1.00 0.00 C ATOM 1342 C ASP A 85 -11.642 -5.144 -10.796 1.00 0.00 C ATOM 1343 O ASP A 85 -12.492 -5.685 -10.082 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.624 -7.283 -12.255 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.151 -7.374 -12.439 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -13.741 -6.523 -13.151 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -13.767 -8.335 -11.915 1.00 0.00 O ATOM 0 H ASP A 85 -9.187 -6.015 -11.268 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.521 -5.232 -12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.134 -7.731 -13.119 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.335 -7.871 -11.384 1.00 0.00 H new ATOM 1352 N GLY A 86 -11.082 -3.975 -10.438 1.00 0.00 N ATOM 1353 CA GLY A 86 -11.397 -3.247 -9.188 1.00 0.00 C ATOM 1354 C GLY A 86 -11.475 -1.715 -9.275 1.00 0.00 C ATOM 1355 O GLY A 86 -11.143 -1.109 -10.292 1.00 0.00 O ATOM 0 H GLY A 86 -10.388 -3.500 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.352 -3.614 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.642 -3.506 -8.445 1.00 0.00 H new ATOM 1359 N GLN A 87 -11.926 -1.099 -8.175 1.00 0.00 N ATOM 1360 CA GLN A 87 -12.200 0.346 -8.018 1.00 0.00 C ATOM 1361 C GLN A 87 -11.796 0.872 -6.619 1.00 0.00 C ATOM 1362 O GLN A 87 -12.626 1.414 -5.886 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.694 0.577 -8.319 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.626 -0.272 -7.423 1.00 0.00 C ATOM 1365 CD GLN A 87 -15.805 0.547 -6.907 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -16.952 0.372 -7.295 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -15.550 1.488 -6.021 1.00 0.00 N ATOM 0 H GLN A 87 -12.122 -1.619 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.590 0.914 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.928 1.633 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.890 0.341 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.996 -1.127 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.060 -0.668 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.595 1.637 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.308 2.068 -5.661 1.00 0.00 H new ATOM 1376 N THR A 88 -10.534 0.708 -6.208 1.00 0.00 N ATOM 1377 CA THR A 88 -10.052 1.036 -4.844 1.00 0.00 C ATOM 1378 C THR A 88 -9.783 2.478 -4.410 1.00 0.00 C ATOM 1379 O THR A 88 -9.354 2.727 -3.288 1.00 0.00 O ATOM 1380 CB THR A 88 -9.039 -0.008 -4.358 1.00 0.00 C ATOM 1381 OG1 THR A 88 -8.045 -0.157 -5.345 1.00 0.00 O ATOM 1382 CG2 THR A 88 -9.726 -1.367 -4.199 1.00 0.00 C ATOM 0 H THR A 88 -9.802 0.339 -6.815 1.00 0.00 H new ATOM 0 HA THR A 88 -10.975 0.962 -4.269 1.00 0.00 H new ATOM 0 HB THR A 88 -8.619 0.318 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.387 -0.821 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.000 -2.103 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.533 -1.284 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.134 -1.683 -5.159 1.00 0.00 H new ATOM 1390 N ARG A 89 -10.119 3.400 -5.305 1.00 0.00 N ATOM 1391 CA ARG A 89 -10.155 4.893 -5.262 1.00 0.00 C ATOM 1392 C ARG A 89 -10.626 5.681 -4.004 1.00 0.00 C ATOM 1393 O ARG A 89 -11.241 6.742 -4.133 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.952 5.349 -6.512 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.457 5.003 -6.466 1.00 0.00 C ATOM 1396 CD ARG A 89 -13.123 5.435 -7.776 1.00 0.00 C ATOM 1397 NE ARG A 89 -14.591 5.303 -7.750 1.00 0.00 N ATOM 1398 CZ ARG A 89 -15.408 5.722 -8.705 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -14.973 6.118 -9.867 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -16.698 5.751 -8.528 1.00 0.00 N ATOM 0 H ARG A 89 -10.422 3.087 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.099 5.159 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.842 6.428 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.512 4.889 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.590 3.932 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.931 5.505 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.861 6.472 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.725 4.835 -8.594 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.010 4.855 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.973 6.112 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.633 6.434 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.098 5.447 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.308 6.077 -9.277 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.272 5.250 -2.798 1.00 0.00 N ATOM 1415 CA PHE A 90 -10.538 5.925 -1.519 1.00 0.00 C ATOM 1416 C PHE A 90 -9.238 6.116 -0.708 1.00 0.00 C ATOM 1417 O PHE A 90 -8.243 5.428 -0.942 1.00 0.00 O ATOM 1418 CB PHE A 90 -11.591 5.115 -0.744 1.00 0.00 C ATOM 1419 CG PHE A 90 -12.826 4.787 -1.566 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -13.783 5.787 -1.832 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -12.987 3.501 -2.119 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -14.895 5.499 -2.645 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -14.098 3.216 -2.931 1.00 0.00 C ATOM 1424 CZ PHE A 90 -15.053 4.215 -3.194 1.00 0.00 C ATOM 0 H PHE A 90 -9.764 4.374 -2.673 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.930 6.925 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.139 4.187 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.891 5.676 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.663 6.775 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.255 2.733 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -15.628 6.266 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.219 2.229 -3.353 1.00 0.00 H new ATOM 0 HZ PHE A 90 -15.907 3.995 -3.817 1.00 0.00 H new ATOM 1434 N THR A 91 -9.232 7.051 0.255 1.00 0.00 N ATOM 1435 CA THR A 91 -8.041 7.373 1.075 1.00 0.00 C ATOM 1436 C THR A 91 -7.633 6.169 1.933 1.00 0.00 C ATOM 1437 O THR A 91 -8.490 5.530 2.545 1.00 0.00 O ATOM 1438 CB THR A 91 -8.306 8.582 1.989 1.00 0.00 C ATOM 1439 OG1 THR A 91 -8.781 9.649 1.209 1.00 0.00 O ATOM 1440 CG2 THR A 91 -7.058 9.094 2.711 1.00 0.00 C ATOM 0 H THR A 91 -10.052 7.609 0.492 1.00 0.00 H new ATOM 0 HA THR A 91 -7.230 7.620 0.390 1.00 0.00 H new ATOM 0 HB THR A 91 -9.023 8.242 2.736 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.954 10.423 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.323 9.947 3.336 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.647 8.300 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.313 9.400 1.977 1.00 0.00 H new ATOM 1448 N ASP A 92 -6.336 5.877 2.033 1.00 0.00 N ATOM 1449 CA ASP A 92 -5.853 4.682 2.736 1.00 0.00 C ATOM 1450 C ASP A 92 -5.987 4.794 4.260 1.00 0.00 C ATOM 1451 O ASP A 92 -6.549 3.903 4.892 1.00 0.00 O ATOM 1452 CB ASP A 92 -4.403 4.413 2.321 1.00 0.00 C ATOM 1453 CG ASP A 92 -3.883 3.125 2.976 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -4.250 2.026 2.493 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -3.116 3.222 3.962 1.00 0.00 O ATOM 0 H ASP A 92 -5.595 6.454 1.634 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.481 3.839 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.340 4.327 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.774 5.255 2.611 1.00 0.00 H new ATOM 1460 N LEU A 93 -5.559 5.918 4.849 1.00 0.00 N ATOM 1461 CA LEU A 93 -5.536 6.087 6.308 1.00 0.00 C ATOM 1462 C LEU A 93 -6.937 6.062 6.951 1.00 0.00 C ATOM 1463 O LEU A 93 -7.105 5.532 8.049 1.00 0.00 O ATOM 1464 CB LEU A 93 -4.756 7.372 6.646 1.00 0.00 C ATOM 1465 CG LEU A 93 -4.540 7.629 8.153 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -3.767 6.502 8.842 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -3.753 8.927 8.340 1.00 0.00 C ATOM 0 H LEU A 93 -5.221 6.730 4.333 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.025 5.228 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.783 7.327 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.287 8.223 6.220 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.529 7.690 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.645 6.738 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.318 5.567 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.786 6.397 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.600 9.110 9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.786 8.841 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.311 9.757 7.906 1.00 0.00 H new ATOM 1479 N LEU A 94 -7.957 6.573 6.249 1.00 0.00 N ATOM 1480 CA LEU A 94 -9.352 6.557 6.720 1.00 0.00 C ATOM 1481 C LEU A 94 -9.959 5.141 6.701 1.00 0.00 C ATOM 1482 O LEU A 94 -10.757 4.792 7.571 1.00 0.00 O ATOM 1483 CB LEU A 94 -10.197 7.531 5.874 1.00 0.00 C ATOM 1484 CG LEU A 94 -9.751 9.006 5.907 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -10.700 9.849 5.057 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -9.730 9.592 7.321 1.00 0.00 C ATOM 0 H LEU A 94 -7.840 7.011 5.335 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.359 6.884 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.183 7.190 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.231 7.476 6.214 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.734 9.031 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.382 10.891 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -10.684 9.489 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -11.712 9.769 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.408 10.633 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.730 9.539 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.037 9.023 7.941 1.00 0.00 H new ATOM 1498 N GLN A 95 -9.542 4.304 5.743 1.00 0.00 N ATOM 1499 CA GLN A 95 -9.932 2.901 5.629 1.00 0.00 C ATOM 1500 C GLN A 95 -9.121 1.990 6.572 1.00 0.00 C ATOM 1501 O GLN A 95 -9.638 0.980 7.042 1.00 0.00 O ATOM 1502 CB GLN A 95 -9.760 2.505 4.152 1.00 0.00 C ATOM 1503 CG GLN A 95 -11.055 2.595 3.321 1.00 0.00 C ATOM 1504 CD GLN A 95 -11.801 3.927 3.439 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -12.922 3.997 3.921 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -11.233 5.032 3.003 1.00 0.00 N ATOM 0 H GLN A 95 -8.903 4.598 5.004 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.969 2.772 5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.006 3.149 3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.380 1.485 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.810 2.423 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.724 1.791 3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.298 4.999 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.728 5.921 3.072 1.00 0.00 H new ATOM 1515 N LEU A 96 -7.879 2.358 6.901 1.00 0.00 N ATOM 1516 CA LEU A 96 -6.983 1.574 7.756 1.00 0.00 C ATOM 1517 C LEU A 96 -7.489 1.436 9.203 1.00 0.00 C ATOM 1518 O LEU A 96 -7.226 0.415 9.833 1.00 0.00 O ATOM 1519 CB LEU A 96 -5.574 2.191 7.649 1.00 0.00 C ATOM 1520 CG LEU A 96 -4.460 1.469 8.443 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -3.116 1.623 7.728 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -4.275 2.048 9.850 1.00 0.00 C ATOM 0 H LEU A 96 -7.460 3.228 6.573 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.951 0.542 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.287 2.215 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.624 3.225 7.989 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.768 0.426 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.340 1.110 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.182 1.188 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.867 2.681 7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.482 1.506 10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.007 3.102 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.205 1.948 10.410 1.00 0.00 H new ATOM 1534 N VAL A 97 -8.249 2.404 9.725 1.00 0.00 N ATOM 1535 CA VAL A 97 -8.814 2.325 11.087 1.00 0.00 C ATOM 1536 C VAL A 97 -9.918 1.257 11.160 1.00 0.00 C ATOM 1537 O VAL A 97 -9.692 0.165 11.681 1.00 0.00 O ATOM 1538 CB VAL A 97 -9.273 3.706 11.608 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -9.804 3.624 13.045 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -8.115 4.712 11.610 1.00 0.00 C ATOM 0 H VAL A 97 -8.492 3.259 9.225 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.020 2.008 11.763 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.065 4.033 10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.116 4.615 13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -10.656 2.945 13.080 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.018 3.254 13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.469 5.674 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.316 4.346 12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.736 4.832 10.595 1.00 0.00 H new ATOM 1550 N GLU A 98 -11.107 1.559 10.636 1.00 0.00 N ATOM 1551 CA GLU A 98 -12.298 0.695 10.716 1.00 0.00 C ATOM 1552 C GLU A 98 -12.353 -0.428 9.673 1.00 0.00 C ATOM 1553 O GLU A 98 -12.735 -1.548 10.000 1.00 0.00 O ATOM 1554 CB GLU A 98 -13.535 1.608 10.612 1.00 0.00 C ATOM 1555 CG GLU A 98 -14.887 0.884 10.498 1.00 0.00 C ATOM 1556 CD GLU A 98 -15.225 -0.031 11.694 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -14.731 0.199 12.825 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -16.032 -0.978 11.520 1.00 0.00 O ATOM 0 H GLU A 98 -11.278 2.429 10.132 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.262 0.165 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.562 2.254 11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.415 2.255 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -15.676 1.629 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.889 0.286 9.587 1.00 0.00 H new ATOM 1565 N PHE A 99 -12.041 -0.132 8.411 1.00 0.00 N ATOM 1566 CA PHE A 99 -12.171 -1.070 7.289 1.00 0.00 C ATOM 1567 C PHE A 99 -11.033 -2.080 7.052 1.00 0.00 C ATOM 1568 O PHE A 99 -11.161 -2.865 6.117 1.00 0.00 O ATOM 1569 CB PHE A 99 -12.590 -0.301 6.023 1.00 0.00 C ATOM 1570 CG PHE A 99 -13.923 0.414 6.174 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -15.124 -0.299 5.982 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -13.971 1.775 6.540 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -16.363 0.345 6.154 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -15.212 2.416 6.713 1.00 0.00 C ATOM 1575 CZ PHE A 99 -16.408 1.703 6.518 1.00 0.00 C ATOM 0 H PHE A 99 -11.684 0.782 8.132 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.962 -1.757 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -11.819 0.429 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -12.650 -0.996 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -15.093 -1.342 5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -13.054 2.326 6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -17.281 -0.204 6.006 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -15.246 3.458 6.996 1.00 0.00 H new ATOM 0 HZ PHE A 99 -17.360 2.197 6.647 1.00 0.00 H new ATOM 1585 N HIS A 100 -9.928 -2.124 7.816 1.00 0.00 N ATOM 1586 CA HIS A 100 -8.801 -3.037 7.484 1.00 0.00 C ATOM 1587 C HIS A 100 -9.153 -4.531 7.611 1.00 0.00 C ATOM 1588 O HIS A 100 -8.827 -5.325 6.728 1.00 0.00 O ATOM 1589 CB HIS A 100 -7.518 -2.663 8.258 1.00 0.00 C ATOM 1590 CG HIS A 100 -7.500 -3.012 9.731 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -7.734 -2.143 10.781 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -7.166 -4.226 10.270 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -7.572 -2.818 11.936 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -7.230 -4.090 11.648 1.00 0.00 N ATOM 0 H HIS A 100 -9.784 -1.555 8.651 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.597 -2.887 6.424 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.673 -3.157 7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.359 -1.589 8.158 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -7.986 -1.158 10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.903 -5.120 9.725 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -7.696 -2.408 12.928 1.00 0.00 H new ATOM 1603 N GLN A 101 -9.869 -4.901 8.676 1.00 0.00 N ATOM 1604 CA GLN A 101 -10.261 -6.283 9.000 1.00 0.00 C ATOM 1605 C GLN A 101 -11.486 -6.799 8.213 1.00 0.00 C ATOM 1606 O GLN A 101 -11.760 -7.999 8.225 1.00 0.00 O ATOM 1607 CB GLN A 101 -10.414 -6.451 10.529 1.00 0.00 C ATOM 1608 CG GLN A 101 -11.636 -5.794 11.210 1.00 0.00 C ATOM 1609 CD GLN A 101 -11.579 -4.269 11.360 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -10.617 -3.603 11.016 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -12.620 -3.642 11.861 1.00 0.00 N ATOM 0 H GLN A 101 -10.205 -4.226 9.363 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.449 -6.927 8.663 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.444 -7.519 10.747 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.515 -6.054 11.001 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.528 -6.050 10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -11.755 -6.233 12.201 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.440 -4.171 12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.608 -2.626 11.953 1.00 0.00 H new ATOM 1620 N LEU A 102 -12.209 -5.907 7.519 1.00 0.00 N ATOM 1621 CA LEU A 102 -13.373 -6.219 6.682 1.00 0.00 C ATOM 1622 C LEU A 102 -13.371 -5.314 5.429 1.00 0.00 C ATOM 1623 O LEU A 102 -14.211 -4.431 5.251 1.00 0.00 O ATOM 1624 CB LEU A 102 -14.653 -6.121 7.548 1.00 0.00 C ATOM 1625 CG LEU A 102 -15.798 -7.081 7.164 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -16.207 -7.015 5.691 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -15.439 -8.528 7.507 1.00 0.00 C ATOM 0 H LEU A 102 -11.989 -4.911 7.527 1.00 0.00 H new ATOM 0 HA LEU A 102 -13.335 -7.241 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.381 -6.307 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.028 -5.099 7.495 1.00 0.00 H new ATOM 0 HG LEU A 102 -16.651 -6.744 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.017 -7.721 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.543 -6.006 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.353 -7.271 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.263 -9.184 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.541 -8.819 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.256 -8.613 8.578 1.00 0.00 H new ATOM 1639 N ASN A 103 -12.351 -5.509 4.588 1.00 0.00 N ATOM 1640 CA ASN A 103 -12.073 -4.707 3.393 1.00 0.00 C ATOM 1641 C ASN A 103 -12.529 -5.424 2.098 1.00 0.00 C ATOM 1642 O ASN A 103 -13.325 -6.365 2.130 1.00 0.00 O ATOM 1643 CB ASN A 103 -10.555 -4.393 3.409 1.00 0.00 C ATOM 1644 CG ASN A 103 -10.240 -3.068 2.741 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -9.975 -3.006 1.552 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -10.318 -1.985 3.470 1.00 0.00 N ATOM 0 H ASN A 103 -11.671 -6.257 4.726 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.643 -3.778 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.200 -4.373 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -10.014 -5.192 2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.156 -1.072 3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.541 -2.054 4.463 1.00 0.00 H new ATOM 1653 N ARG A 104 -12.032 -4.959 0.944 1.00 0.00 N ATOM 1654 CA ARG A 104 -12.228 -5.572 -0.384 1.00 0.00 C ATOM 1655 C ARG A 104 -11.034 -6.471 -0.766 1.00 0.00 C ATOM 1656 O ARG A 104 -11.044 -7.090 -1.831 1.00 0.00 O ATOM 1657 CB ARG A 104 -12.470 -4.472 -1.441 1.00 0.00 C ATOM 1658 CG ARG A 104 -13.599 -3.480 -1.108 1.00 0.00 C ATOM 1659 CD ARG A 104 -14.925 -4.173 -0.767 1.00 0.00 C ATOM 1660 NE ARG A 104 -16.006 -3.190 -0.548 1.00 0.00 N ATOM 1661 CZ ARG A 104 -17.258 -3.457 -0.214 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -17.679 -4.679 -0.034 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -18.119 -2.494 -0.053 1.00 0.00 N ATOM 0 H ARG A 104 -11.461 -4.115 0.904 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.109 -6.212 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.545 -3.912 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.697 -4.950 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.293 -2.859 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.752 -2.813 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -15.203 -4.848 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.799 -4.783 0.128 1.00 0.00 H new ATOM 0 HE ARG A 104 -15.763 -2.207 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -17.036 -5.462 -0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -18.651 -4.851 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -17.830 -1.525 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -19.082 -2.709 0.205 1.00 0.00 H new ATOM 1677 N GLY A 105 -10.016 -6.541 0.104 1.00 0.00 N ATOM 1678 CA GLY A 105 -8.758 -7.270 -0.079 1.00 0.00 C ATOM 1679 C GLY A 105 -8.030 -6.949 -1.381 1.00 0.00 C ATOM 1680 O GLY A 105 -8.045 -5.820 -1.878 1.00 0.00 O ATOM 0 H GLY A 105 -10.053 -6.063 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.097 -7.046 0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.963 -8.340 -0.045 1.00 0.00 H new ATOM 1684 N ILE A 106 -7.372 -7.980 -1.900 1.00 0.00 N ATOM 1685 CA ILE A 106 -6.604 -7.966 -3.158 1.00 0.00 C ATOM 1686 C ILE A 106 -7.420 -8.543 -4.344 1.00 0.00 C ATOM 1687 O ILE A 106 -8.562 -8.965 -4.150 1.00 0.00 O ATOM 1688 CB ILE A 106 -5.225 -8.633 -2.931 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -5.176 -10.160 -3.104 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -4.619 -8.259 -1.563 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -6.196 -10.969 -2.292 1.00 0.00 C ATOM 0 H ILE A 106 -7.353 -8.891 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.405 -6.937 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.624 -8.220 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.320 -10.390 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.176 -10.503 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.652 -8.749 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.487 -7.178 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.289 -8.585 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.064 -12.031 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.044 -10.783 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.205 -10.668 -2.573 1.00 0.00 H new ATOM 1703 N LEU A 107 -6.852 -8.579 -5.566 1.00 0.00 N ATOM 1704 CA LEU A 107 -7.523 -9.074 -6.792 1.00 0.00 C ATOM 1705 C LEU A 107 -8.403 -10.354 -6.605 1.00 0.00 C ATOM 1706 O LEU A 107 -9.585 -10.261 -6.951 1.00 0.00 O ATOM 1707 CB LEU A 107 -6.485 -9.253 -7.928 1.00 0.00 C ATOM 1708 CG LEU A 107 -6.650 -8.264 -9.091 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -5.463 -8.396 -10.045 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -7.939 -8.520 -9.872 1.00 0.00 C ATOM 0 H LEU A 107 -5.898 -8.260 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.243 -8.303 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.484 -9.143 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.559 -10.269 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.696 -7.260 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.580 -7.694 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -4.540 -8.176 -9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.422 -9.413 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.020 -7.800 -10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.922 -9.530 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.795 -8.412 -9.206 1.00 0.00 H new ATOM 1722 N PRO A 108 -7.909 -11.513 -6.083 1.00 0.00 N ATOM 1723 CA PRO A 108 -8.682 -12.766 -6.125 1.00 0.00 C ATOM 1724 C PRO A 108 -8.993 -13.481 -4.783 1.00 0.00 C ATOM 1725 O PRO A 108 -10.116 -13.964 -4.613 1.00 0.00 O ATOM 1726 CB PRO A 108 -7.832 -13.673 -7.025 1.00 0.00 C ATOM 1727 CG PRO A 108 -6.389 -13.183 -6.846 1.00 0.00 C ATOM 1728 CD PRO A 108 -6.504 -11.901 -6.021 1.00 0.00 C ATOM 0 HA PRO A 108 -9.688 -12.536 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.931 -14.719 -6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.146 -13.600 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.780 -13.928 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.915 -12.991 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.190 -12.069 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.864 -11.117 -6.425 1.00 0.00 H new ATOM 1736 N CYS A 109 -8.047 -13.571 -3.835 1.00 0.00 N ATOM 1737 CA CYS A 109 -8.140 -14.315 -2.585 1.00 0.00 C ATOM 1738 C CYS A 109 -8.701 -13.531 -1.367 1.00 0.00 C ATOM 1739 O CYS A 109 -9.804 -12.981 -1.443 1.00 0.00 O ATOM 1740 CB CYS A 109 -6.747 -14.937 -2.398 1.00 0.00 C ATOM 1741 SG CYS A 109 -6.365 -16.086 -3.757 1.00 0.00 S ATOM 0 H CYS A 109 -7.149 -13.097 -3.933 1.00 0.00 H new ATOM 0 HA CYS A 109 -8.909 -15.085 -2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.994 -14.150 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.705 -15.466 -1.446 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.157 -17.275 -3.274 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.988 -13.517 -0.225 1.00 0.00 N ATOM 1748 CA LEU A 110 -8.422 -12.930 1.057 1.00 0.00 C ATOM 1749 C LEU A 110 -8.875 -11.459 0.970 1.00 0.00 C ATOM 1750 O LEU A 110 -8.266 -10.635 0.286 1.00 0.00 O ATOM 1751 CB LEU A 110 -7.303 -13.093 2.117 1.00 0.00 C ATOM 1752 CG LEU A 110 -7.264 -14.412 2.916 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -8.454 -14.522 3.875 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -7.230 -15.663 2.039 1.00 0.00 C ATOM 0 H LEU A 110 -7.057 -13.931 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.311 -13.486 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.343 -12.977 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.391 -12.272 2.828 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.329 -14.370 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.395 -15.463 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.431 -13.691 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.384 -14.490 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.204 -16.550 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.121 -15.691 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.342 -15.641 1.408 1.00 0.00 H new ATOM 1766 N LEU A 111 -9.920 -11.132 1.743 1.00 0.00 N ATOM 1767 CA LEU A 111 -10.597 -9.824 1.748 1.00 0.00 C ATOM 1768 C LEU A 111 -10.105 -8.804 2.792 1.00 0.00 C ATOM 1769 O LEU A 111 -10.535 -7.652 2.764 1.00 0.00 O ATOM 1770 CB LEU A 111 -12.127 -10.020 1.731 1.00 0.00 C ATOM 1771 CG LEU A 111 -12.879 -10.480 3.002 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -12.360 -11.798 3.582 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -12.900 -9.437 4.120 1.00 0.00 C ATOM 0 H LEU A 111 -10.332 -11.791 2.404 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.300 -9.331 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.568 -9.072 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.349 -10.745 0.947 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.897 -10.628 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.936 -12.056 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.465 -12.589 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.309 -11.689 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.445 -9.833 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.878 -9.202 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.392 -8.532 3.764 1.00 0.00 H new ATOM 1785 N ARG A 112 -9.212 -9.187 3.712 1.00 0.00 N ATOM 1786 CA ARG A 112 -8.697 -8.318 4.794 1.00 0.00 C ATOM 1787 C ARG A 112 -7.219 -7.954 4.603 1.00 0.00 C ATOM 1788 O ARG A 112 -6.463 -8.731 4.026 1.00 0.00 O ATOM 1789 CB ARG A 112 -8.984 -8.947 6.172 1.00 0.00 C ATOM 1790 CG ARG A 112 -8.288 -10.294 6.430 1.00 0.00 C ATOM 1791 CD ARG A 112 -8.612 -10.803 7.840 1.00 0.00 C ATOM 1792 NE ARG A 112 -7.946 -12.093 8.119 1.00 0.00 N ATOM 1793 CZ ARG A 112 -8.422 -13.311 7.924 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -9.596 -13.526 7.400 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -7.712 -14.353 8.252 1.00 0.00 N ATOM 0 H ARG A 112 -8.815 -10.126 3.732 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.234 -7.371 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -8.679 -8.243 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.060 -9.086 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.612 -11.025 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -7.210 -10.181 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.297 -10.063 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.691 -10.919 7.947 1.00 0.00 H new ATOM 0 HE ARG A 112 -7.005 -12.037 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.183 -12.739 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.927 -14.481 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.786 -14.231 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -8.083 -15.291 8.100 1.00 0.00 H new ATOM 1809 N HIS A 113 -6.816 -6.800 5.136 1.00 0.00 N ATOM 1810 CA HIS A 113 -5.427 -6.309 5.159 1.00 0.00 C ATOM 1811 C HIS A 113 -4.967 -5.978 6.581 1.00 0.00 C ATOM 1812 O HIS A 113 -5.751 -5.743 7.501 1.00 0.00 O ATOM 1813 CB HIS A 113 -5.248 -5.059 4.296 1.00 0.00 C ATOM 1814 CG HIS A 113 -5.821 -5.098 2.902 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -5.245 -5.736 1.801 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -6.867 -4.332 2.473 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -5.948 -5.326 0.733 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -6.941 -4.500 1.108 1.00 0.00 N ATOM 0 H HIS A 113 -7.468 -6.154 5.581 1.00 0.00 H new ATOM 0 HA HIS A 113 -4.820 -7.119 4.755 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -5.697 -4.217 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -4.181 -4.853 4.217 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -7.510 -3.716 3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.744 -5.619 -0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -7.629 -4.072 0.489 1.00 0.00 H new ATOM 1826 N CYS A 114 -3.651 -5.941 6.707 1.00 0.00 N ATOM 1827 CA CYS A 114 -2.834 -5.675 7.873 1.00 0.00 C ATOM 1828 C CYS A 114 -1.618 -4.815 7.426 1.00 0.00 C ATOM 1829 O CYS A 114 -1.613 -4.267 6.322 1.00 0.00 O ATOM 1830 CB CYS A 114 -2.408 -7.045 8.425 1.00 0.00 C ATOM 1831 SG CYS A 114 -3.773 -8.239 8.634 1.00 0.00 S ATOM 0 H CYS A 114 -3.062 -6.119 5.893 1.00 0.00 H new ATOM 0 HA CYS A 114 -3.359 -5.121 8.651 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -1.665 -7.477 7.755 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -1.921 -6.898 9.389 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.303 -9.357 9.102 1.00 0.00 H new ATOM 1837 N CYS A 115 -0.556 -4.736 8.237 1.00 0.00 N ATOM 1838 CA CYS A 115 0.682 -4.009 7.901 1.00 0.00 C ATOM 1839 C CYS A 115 1.931 -4.901 8.028 1.00 0.00 C ATOM 1840 O CYS A 115 2.100 -5.587 9.039 1.00 0.00 O ATOM 1841 CB CYS A 115 0.805 -2.755 8.783 1.00 0.00 C ATOM 1842 SG CYS A 115 -0.597 -1.627 8.514 1.00 0.00 S ATOM 0 H CYS A 115 -0.528 -5.179 9.156 1.00 0.00 H new ATOM 0 HA CYS A 115 0.621 -3.705 6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.845 -3.047 9.832 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.739 -2.239 8.560 1.00 0.00 H new ATOM 0 HG CYS A 115 -0.464 -0.581 9.274 1.00 0.00 H new ATOM 1848 N THR A 116 2.822 -4.869 7.027 1.00 0.00 N ATOM 1849 CA THR A 116 4.121 -5.578 7.048 1.00 0.00 C ATOM 1850 C THR A 116 5.276 -4.636 7.424 1.00 0.00 C ATOM 1851 O THR A 116 5.075 -3.435 7.619 1.00 0.00 O ATOM 1852 CB THR A 116 4.388 -6.339 5.733 1.00 0.00 C ATOM 1853 OG1 THR A 116 5.389 -7.306 5.953 1.00 0.00 O ATOM 1854 CG2 THR A 116 4.838 -5.467 4.561 1.00 0.00 C ATOM 0 H THR A 116 2.664 -4.345 6.166 1.00 0.00 H new ATOM 0 HA THR A 116 4.062 -6.333 7.832 1.00 0.00 H new ATOM 0 HB THR A 116 3.429 -6.775 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.811 -7.540 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.000 -6.093 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.069 -4.727 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.767 -4.959 4.821 1.00 0.00 H new ATOM 1862 N ARG A 117 6.488 -5.190 7.552 1.00 0.00 N ATOM 1863 CA ARG A 117 7.715 -4.492 7.993 1.00 0.00 C ATOM 1864 C ARG A 117 8.868 -4.593 6.984 1.00 0.00 C ATOM 1865 O ARG A 117 8.848 -5.432 6.081 1.00 0.00 O ATOM 1866 CB ARG A 117 8.106 -4.970 9.407 1.00 0.00 C ATOM 1867 CG ARG A 117 8.493 -6.461 9.479 1.00 0.00 C ATOM 1868 CD ARG A 117 8.963 -6.867 10.885 1.00 0.00 C ATOM 1869 NE ARG A 117 7.898 -6.724 11.902 1.00 0.00 N ATOM 1870 CZ ARG A 117 6.962 -7.603 12.222 1.00 0.00 C ATOM 1871 NH1 ARG A 117 6.852 -8.757 11.626 1.00 0.00 N ATOM 1872 NH2 ARG A 117 6.101 -7.329 13.161 1.00 0.00 N ATOM 0 H ARG A 117 6.654 -6.175 7.345 1.00 0.00 H new ATOM 0 HA ARG A 117 7.495 -3.426 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.943 -4.370 9.764 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.272 -4.788 10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.637 -7.072 9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.285 -6.665 8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.306 -7.902 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.818 -6.254 11.170 1.00 0.00 H new ATOM 0 HE ARG A 117 7.884 -5.844 12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.502 -9.011 10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.116 -9.406 11.903 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.148 -6.436 13.651 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.380 -8.008 13.406 1.00 0.00 H new ATOM 1966 N PRO B1137 5.320 -9.018 -11.433 1.00 0.00 N ATOM 1967 CA PRO B1137 4.699 -7.898 -12.149 1.00 0.00 C ATOM 1968 C PRO B1137 4.949 -6.540 -11.470 1.00 0.00 C ATOM 1969 O PRO B1137 5.339 -6.470 -10.303 1.00 0.00 O ATOM 1970 CB PRO B1137 3.203 -8.232 -12.190 1.00 0.00 C ATOM 1971 CG PRO B1137 2.998 -8.995 -10.883 1.00 0.00 C ATOM 1972 CD PRO B1137 4.291 -9.802 -10.763 1.00 0.00 C ATOM 0 HA PRO B1137 5.129 -7.789 -13.145 1.00 0.00 H new ATOM 0 HB2 PRO B1137 2.588 -7.333 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO B1137 2.946 -8.839 -13.058 1.00 0.00 H new ATOM 0 HG2 PRO B1137 2.861 -8.321 -10.037 1.00 0.00 H new ATOM 0 HG3 PRO B1137 2.120 -9.640 -10.923 1.00 0.00 H new ATOM 0 HD2 PRO B1137 4.549 -9.972 -9.718 1.00 0.00 H new ATOM 0 HD3 PRO B1137 4.183 -10.782 -11.228 1.00 0.00 H new ATOM 1980 N GLU B1138 4.699 -5.452 -12.203 1.00 0.00 N ATOM 1981 CA GLU B1138 4.836 -4.073 -11.728 1.00 0.00 C ATOM 1982 C GLU B1138 3.607 -3.600 -10.909 1.00 0.00 C ATOM 1983 O GLU B1138 3.409 -3.984 -9.754 1.00 0.00 O ATOM 1984 CB GLU B1138 5.153 -3.113 -12.903 1.00 0.00 C ATOM 1985 CG GLU B1138 6.389 -3.415 -13.752 1.00 0.00 C ATOM 1986 CD GLU B1138 6.265 -4.605 -14.734 1.00 0.00 C ATOM 1987 OE1 GLU B1138 5.151 -5.138 -14.972 1.00 0.00 O ATOM 1988 OE2 GLU B1138 7.314 -5.016 -15.292 1.00 0.00 O ATOM 0 H GLU B1138 4.386 -5.508 -13.172 1.00 0.00 H new ATOM 0 HA GLU B1138 5.682 -4.052 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU B1138 4.287 -3.095 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU B1138 5.263 -2.108 -12.495 1.00 0.00 H new ATOM 0 HG2 GLU B1138 6.639 -2.522 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU B1138 7.227 -3.609 -13.082 1.00 0.00 H new ATOM 2019 N VAL B1140 -0.859 -2.307 -10.736 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.198 -2.971 -10.621 1.00 0.00 C ATOM 2021 C VAL B1140 -3.358 -2.194 -11.156 1.00 0.00 C ATOM 2022 O VAL B1140 -4.283 -2.834 -11.655 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.486 -3.338 -9.145 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -3.869 -3.823 -8.757 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -1.560 -4.484 -8.705 1.00 0.00 C ATOM 0 HA VAL B1140 -2.114 -3.855 -11.253 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.341 -2.370 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -3.894 -4.034 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -4.604 -3.053 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -4.105 -4.731 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -1.766 -4.739 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -1.736 -5.356 -9.335 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -0.521 -4.170 -8.803 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.360 -0.850 -11.082 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.403 -0.114 -11.837 1.00 0.00 C ATOM 2037 C ASN B1141 -4.208 -0.667 -13.299 1.00 0.00 C ATOM 2038 O ASN B1141 -5.149 -0.816 -14.074 1.00 0.00 O ATOM 2039 CB ASN B1141 -4.253 1.402 -11.698 1.00 0.00 C ATOM 2040 CG ASN B1141 -3.988 1.890 -10.288 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -4.873 2.286 -9.554 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -2.749 1.843 -9.835 1.00 0.00 N ATOM 0 H ASN B1141 -2.704 -0.280 -10.549 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.419 -0.272 -11.476 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -3.437 1.732 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -5.162 1.878 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -2.544 2.137 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -1.997 1.513 -10.440 1.00 0.00 H new ATOM 2049 N GLN B1142 -2.932 -1.039 -13.567 1.00 0.00 N ATOM 2050 CA GLN B1142 -2.288 -1.763 -14.614 1.00 0.00 C ATOM 2051 C GLN B1142 -0.943 -2.201 -14.042 1.00 0.00 C ATOM 2052 O GLN B1142 -0.420 -1.424 -13.240 1.00 0.00 O ATOM 2053 CB GLN B1142 -1.848 -0.827 -15.726 1.00 0.00 C ATOM 2054 CG GLN B1142 -2.936 -0.100 -16.541 1.00 0.00 C ATOM 2055 CD GLN B1142 -2.935 1.418 -16.321 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -2.104 2.145 -16.850 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -3.849 1.985 -15.552 1.00 0.00 N ATOM 0 H GLN B1142 -2.219 -0.762 -12.892 1.00 0.00 H new ATOM 0 HA GLN B1142 -2.961 -2.545 -14.966 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -1.200 -0.069 -15.286 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -1.239 -1.402 -16.423 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -2.788 -0.308 -17.601 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -3.913 -0.500 -16.271 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -4.558 1.411 -15.095 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -3.845 2.996 -15.416 1.00 0.00 H new ATOM 2066 N PRO B1143 -0.280 -3.252 -14.558 1.00 0.00 N ATOM 2067 CA PRO B1143 1.178 -3.376 -14.490 1.00 0.00 C ATOM 2068 C PRO B1143 1.879 -2.319 -15.388 1.00 0.00 C ATOM 2069 O PRO B1143 2.701 -2.609 -16.261 1.00 0.00 O ATOM 2070 CB PRO B1143 1.490 -4.843 -14.837 1.00 0.00 C ATOM 2071 CG PRO B1143 0.138 -5.553 -14.726 1.00 0.00 C ATOM 2072 CD PRO B1143 -0.858 -4.460 -15.112 1.00 0.00 C ATOM 0 HA PRO B1143 1.576 -3.157 -13.499 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.906 -4.935 -15.840 1.00 0.00 H new ATOM 0 HB3 PRO B1143 2.220 -5.268 -14.149 1.00 0.00 H new ATOM 0 HG2 PRO B1143 0.076 -6.410 -15.396 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -0.041 -5.924 -13.717 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -0.974 -4.388 -16.193 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -1.847 -4.656 -14.698 1.00 0.00 H new ATOM 2080 N ASP B1144 1.467 -1.077 -15.144 1.00 0.00 N ATOM 2081 CA ASP B1144 1.701 0.222 -15.758 1.00 0.00 C ATOM 2082 C ASP B1144 1.758 0.208 -17.310 1.00 0.00 C ATOM 2083 O ASP B1144 2.859 0.294 -17.906 1.00 0.00 O ATOM 2084 CB ASP B1144 2.880 0.966 -15.095 1.00 0.00 C ATOM 2085 CG ASP B1144 3.162 2.354 -15.718 1.00 0.00 C ATOM 2086 OD1 ASP B1144 2.206 3.139 -15.948 1.00 0.00 O ATOM 2087 OD2 ASP B1144 4.354 2.689 -15.945 1.00 0.00 O ATOM 2088 OXT ASP B1144 0.678 0.107 -17.942 1.00 0.00 O ATOM 0 H ASP B1144 0.837 -0.944 -14.353 1.00 0.00 H new ATOM 0 HA ASP B1144 0.806 0.809 -15.551 1.00 0.00 H new ATOM 0 HB2 ASP B1144 2.670 1.089 -14.032 1.00 0.00 H new ATOM 0 HB3 ASP B1144 3.777 0.352 -15.174 1.00 0.00 H new