USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 39 SER OG : rot 130:sc= 0.942 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 2.4 (180deg=-0.0148) USER MOD Set 1.3: A 52 HIS : no HE2:sc= 0.903 K(o=4.2,f=-8.5!) USER MOD Single : A 23 SER OG : rot 27:sc= 0.0202 USER MOD Single : A 24 THR OG1 : rot -178:sc= 1.44 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 32 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 36 ASN : amide:sc= 1.2 K(o=1.2,f=-0.093) USER MOD Single : A 41 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.6!) USER MOD Single : A 45 HIS : no HE2:sc= 0.485 K(o=0.49,f=-2.6!) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00388) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -0.756 K(o=-0.76,f=-3.2!) USER MOD Single : A 51 SER OG : rot -117:sc= 0.56 USER MOD Single : A 57 MET CE :methyl 161:sc= -0.171 (180deg=-0.682) USER MOD Single : A 58 MET CE :methyl 142:sc= -0.317 (180deg=-1.65) USER MOD Single : A 61 GLN : amide:sc= -2.12! C(o=-2.1!,f=-7.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0253 F(o=-1.5,f=-0.025) USER MOD Single : A 77 TYR OH : rot 5:sc= 1.3 USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.795) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -15.501 9.089 -9.810 1.00 1.00 N ATOM 216 CA GLU A 13 -15.437 7.677 -10.204 1.00 1.00 C ATOM 217 C GLU A 13 -16.208 6.760 -9.254 1.00 1.00 C ATOM 218 O GLU A 13 -17.011 5.929 -9.675 1.00 1.00 O ATOM 219 CB GLU A 13 -13.983 7.187 -10.230 1.00 1.00 C ATOM 220 CG GLU A 13 -13.073 7.927 -11.196 1.00 1.00 C ATOM 221 CD GLU A 13 -13.593 7.949 -12.618 1.00 1.00 C ATOM 222 OE1 GLU A 13 -14.160 6.935 -13.060 1.00 1.00 O ATOM 223 OE2 GLU A 13 -13.404 8.987 -13.303 1.00 1.00 O ATOM 0 HA GLU A 13 -15.890 7.628 -11.194 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -13.568 7.273 -9.226 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -13.977 6.128 -10.488 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -12.944 8.952 -10.849 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -12.088 7.460 -11.185 1.00 1.00 H new ATOM 230 N PHE A 14 -15.977 6.931 -7.969 1.00 1.00 N ATOM 231 CA PHE A 14 -16.566 6.050 -6.964 1.00 1.00 C ATOM 232 C PHE A 14 -17.936 6.496 -6.445 1.00 1.00 C ATOM 233 O PHE A 14 -18.939 5.809 -6.660 1.00 1.00 O ATOM 234 CB PHE A 14 -15.576 5.923 -5.812 1.00 1.00 C ATOM 235 CG PHE A 14 -14.371 5.105 -6.179 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.279 5.695 -6.797 1.00 1.00 C ATOM 237 CD2 PHE A 14 -14.346 3.741 -5.941 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.175 4.943 -7.149 1.00 1.00 C ATOM 239 CE2 PHE A 14 -13.246 2.983 -6.294 1.00 1.00 C ATOM 240 CZ PHE A 14 -12.163 3.583 -6.907 1.00 1.00 C ATOM 0 H PHE A 14 -15.386 7.670 -7.589 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.753 5.090 -7.445 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -15.256 6.917 -5.501 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -16.075 5.467 -4.957 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -13.292 6.755 -7.006 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -15.196 3.265 -5.474 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.323 5.417 -7.613 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -13.233 1.922 -6.091 1.00 1.00 H new ATOM 0 HZ PHE A 14 -11.308 2.990 -7.197 1.00 1.00 H new ATOM 358 N SER A 23 -18.622 7.127 2.149 1.00 1.00 N ATOM 359 CA SER A 23 -18.747 5.697 1.929 1.00 1.00 C ATOM 360 C SER A 23 -17.382 5.037 1.762 1.00 1.00 C ATOM 361 O SER A 23 -16.418 5.638 1.284 1.00 1.00 O ATOM 362 CB SER A 23 -19.627 5.384 0.706 1.00 1.00 C ATOM 363 OG SER A 23 -20.953 5.859 0.890 1.00 1.00 O ATOM 0 HA SER A 23 -19.229 5.286 2.816 1.00 1.00 H new ATOM 0 HB2 SER A 23 -19.194 5.842 -0.183 1.00 1.00 H new ATOM 0 HB3 SER A 23 -19.644 4.308 0.533 1.00 1.00 H new ATOM 0 HG SER A 23 -20.945 6.621 1.507 1.00 1.00 H new ATOM 369 N THR A 24 -17.335 3.788 2.162 1.00 1.00 N ATOM 370 CA THR A 24 -16.139 2.944 2.100 1.00 1.00 C ATOM 371 C THR A 24 -15.426 3.000 0.744 1.00 1.00 C ATOM 372 O THR A 24 -14.201 3.019 0.676 1.00 1.00 O ATOM 373 CB THR A 24 -16.572 1.499 2.368 1.00 1.00 C ATOM 374 OG1 THR A 24 -17.661 1.519 3.299 1.00 1.00 O ATOM 375 CG2 THR A 24 -15.431 0.650 2.896 1.00 1.00 C ATOM 0 H THR A 24 -18.145 3.306 2.553 1.00 1.00 H new ATOM 0 HA THR A 24 -15.432 3.312 2.844 1.00 1.00 H new ATOM 0 HB THR A 24 -16.886 1.045 1.428 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.928 0.600 3.510 1.00 1.00 H new ATOM 0 HG21 THR A 24 -15.784 -0.366 3.071 1.00 1.00 H new ATOM 0 HG22 THR A 24 -14.623 0.632 2.165 1.00 1.00 H new ATOM 0 HG23 THR A 24 -15.065 1.073 3.831 1.00 1.00 H new ATOM 383 N GLU A 25 -16.206 3.049 -0.321 1.00 1.00 N ATOM 384 CA GLU A 25 -15.675 3.081 -1.688 1.00 1.00 C ATOM 385 C GLU A 25 -14.662 4.211 -1.897 1.00 1.00 C ATOM 386 O GLU A 25 -13.543 3.976 -2.346 1.00 1.00 O ATOM 387 CB GLU A 25 -16.833 3.221 -2.670 1.00 1.00 C ATOM 388 CG GLU A 25 -17.821 2.076 -2.564 1.00 1.00 C ATOM 389 CD GLU A 25 -18.915 2.130 -3.605 1.00 1.00 C ATOM 390 OE1 GLU A 25 -18.652 1.781 -4.775 1.00 1.00 O ATOM 391 OE2 GLU A 25 -20.053 2.473 -3.246 1.00 1.00 O ATOM 0 H GLU A 25 -17.225 3.068 -0.272 1.00 1.00 H new ATOM 0 HA GLU A 25 -15.142 2.146 -1.863 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -17.351 4.162 -2.486 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -16.441 3.266 -3.686 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -17.284 1.132 -2.660 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -18.273 2.086 -1.572 1.00 1.00 H new ATOM 398 N VAL A 26 -15.050 5.430 -1.547 1.00 1.00 N ATOM 399 CA VAL A 26 -14.164 6.583 -1.698 1.00 1.00 C ATOM 400 C VAL A 26 -12.991 6.510 -0.714 1.00 1.00 C ATOM 401 O VAL A 26 -11.877 6.924 -1.028 1.00 1.00 O ATOM 402 CB VAL A 26 -14.943 7.907 -1.511 1.00 1.00 C ATOM 403 CG1 VAL A 26 -14.017 9.102 -1.325 1.00 1.00 C ATOM 404 CG2 VAL A 26 -15.846 8.139 -2.706 1.00 1.00 C ATOM 0 H VAL A 26 -15.967 5.649 -1.158 1.00 1.00 H new ATOM 0 HA VAL A 26 -13.762 6.560 -2.711 1.00 1.00 H new ATOM 0 HB VAL A 26 -15.538 7.812 -0.603 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.612 10.007 -1.198 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -13.397 8.948 -0.442 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.379 9.208 -2.202 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -16.394 9.072 -2.572 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -15.243 8.199 -3.612 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -16.552 7.313 -2.794 1.00 1.00 H new ATOM 414 N GLN A 27 -13.222 5.922 0.454 1.00 1.00 N ATOM 415 CA GLN A 27 -12.167 5.824 1.458 1.00 1.00 C ATOM 416 C GLN A 27 -11.138 4.751 1.087 1.00 1.00 C ATOM 417 O GLN A 27 -9.947 4.913 1.339 1.00 1.00 O ATOM 418 CB GLN A 27 -12.756 5.585 2.838 1.00 1.00 C ATOM 419 CG GLN A 27 -13.551 6.782 3.334 1.00 1.00 C ATOM 420 CD GLN A 27 -14.258 6.532 4.651 1.00 1.00 C ATOM 421 OE1 GLN A 27 -13.728 5.633 5.455 1.00 1.00 O flip ATOM 422 NE2 GLN A 27 -15.274 7.139 4.944 1.00 1.00 N flip ATOM 0 H GLN A 27 -14.115 5.512 0.728 1.00 1.00 H new ATOM 0 HA GLN A 27 -11.638 6.777 1.484 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -13.402 4.708 2.809 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.953 5.367 3.542 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.879 7.633 3.447 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -14.289 7.056 2.580 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -15.659 7.829 4.300 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -15.738 6.957 5.834 1.00 1.00 H new ATOM 431 N VAL A 28 -11.590 3.653 0.493 1.00 1.00 N ATOM 432 CA VAL A 28 -10.670 2.624 0.032 1.00 1.00 C ATOM 433 C VAL A 28 -9.959 3.154 -1.208 1.00 1.00 C ATOM 434 O VAL A 28 -8.815 2.807 -1.500 1.00 1.00 O ATOM 435 CB VAL A 28 -11.389 1.300 -0.274 1.00 1.00 C ATOM 436 CG1 VAL A 28 -10.437 0.265 -0.856 1.00 1.00 C ATOM 437 CG2 VAL A 28 -12.046 0.765 0.986 1.00 1.00 C ATOM 0 H VAL A 28 -12.576 3.455 0.321 1.00 1.00 H new ATOM 0 HA VAL A 28 -9.951 2.404 0.821 1.00 1.00 H new ATOM 0 HB VAL A 28 -12.155 1.499 -1.024 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -10.982 -0.657 -1.059 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -10.009 0.645 -1.783 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -9.637 0.064 -0.143 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -12.553 -0.173 0.761 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -11.286 0.593 1.748 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -12.771 1.491 1.354 1.00 1.00 H new ATOM 447 N ALA A 29 -10.651 4.026 -1.930 1.00 1.00 N ATOM 448 CA ALA A 29 -10.067 4.668 -3.089 1.00 1.00 C ATOM 449 C ALA A 29 -8.921 5.561 -2.630 1.00 1.00 C ATOM 450 O ALA A 29 -7.827 5.532 -3.189 1.00 1.00 O ATOM 451 CB ALA A 29 -11.103 5.486 -3.838 1.00 1.00 C ATOM 0 H ALA A 29 -11.613 4.301 -1.731 1.00 1.00 H new ATOM 0 HA ALA A 29 -9.693 3.904 -3.771 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -10.638 5.957 -4.704 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.911 4.834 -4.170 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -11.505 6.255 -3.179 1.00 1.00 H new ATOM 457 N LEU A 30 -9.162 6.326 -1.570 1.00 1.00 N ATOM 458 CA LEU A 30 -8.127 7.201 -1.041 1.00 1.00 C ATOM 459 C LEU A 30 -7.053 6.376 -0.313 1.00 1.00 C ATOM 460 O LEU A 30 -5.889 6.762 -0.265 1.00 1.00 O ATOM 461 CB LEU A 30 -8.728 8.328 -0.169 1.00 1.00 C ATOM 462 CG LEU A 30 -9.301 7.951 1.213 1.00 1.00 C ATOM 463 CD1 LEU A 30 -8.213 7.868 2.280 1.00 1.00 C ATOM 464 CD2 LEU A 30 -10.358 8.973 1.627 1.00 1.00 C ATOM 0 H LEU A 30 -10.050 6.357 -1.069 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.632 7.705 -1.871 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -7.953 9.079 -0.015 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -9.524 8.804 -0.741 1.00 1.00 H new ATOM 0 HG LEU A 30 -9.752 6.963 1.127 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -8.661 7.600 3.237 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -7.483 7.110 1.997 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -7.717 8.834 2.370 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -10.761 8.704 2.603 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -9.905 9.963 1.681 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -11.163 8.982 0.892 1.00 1.00 H new ATOM 476 N LEU A 31 -7.437 5.212 0.212 1.00 1.00 N ATOM 477 CA LEU A 31 -6.486 4.336 0.879 1.00 1.00 C ATOM 478 C LEU A 31 -5.564 3.707 -0.184 1.00 1.00 C ATOM 479 O LEU A 31 -4.353 3.596 0.001 1.00 1.00 O ATOM 480 CB LEU A 31 -7.232 3.313 1.777 1.00 1.00 C ATOM 481 CG LEU A 31 -7.594 1.900 1.225 1.00 1.00 C ATOM 482 CD1 LEU A 31 -6.380 1.010 1.010 1.00 1.00 C ATOM 483 CD2 LEU A 31 -8.544 1.218 2.196 1.00 1.00 C ATOM 0 H LEU A 31 -8.394 4.860 0.187 1.00 1.00 H new ATOM 0 HA LEU A 31 -5.844 4.893 1.561 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -6.625 3.165 2.670 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -8.162 3.783 2.097 1.00 1.00 H new ATOM 0 HG LEU A 31 -8.058 2.047 0.250 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.702 0.042 0.625 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.707 1.480 0.293 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.860 0.869 1.957 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -8.803 0.229 1.818 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -8.062 1.120 3.169 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -9.450 1.815 2.299 1.00 1.00 H new ATOM 495 N THR A 32 -6.143 3.360 -1.329 1.00 1.00 N ATOM 496 CA THR A 32 -5.382 2.794 -2.444 1.00 1.00 C ATOM 497 C THR A 32 -4.436 3.853 -3.027 1.00 1.00 C ATOM 498 O THR A 32 -3.275 3.566 -3.315 1.00 1.00 O ATOM 499 CB THR A 32 -6.322 2.251 -3.541 1.00 1.00 C ATOM 500 OG1 THR A 32 -7.180 1.244 -2.986 1.00 1.00 O ATOM 501 CG2 THR A 32 -5.547 1.650 -4.703 1.00 1.00 C ATOM 0 H THR A 32 -7.141 3.460 -1.512 1.00 1.00 H new ATOM 0 HA THR A 32 -4.792 1.960 -2.065 1.00 1.00 H new ATOM 0 HB THR A 32 -6.908 3.090 -3.916 1.00 1.00 H new ATOM 0 HG1 THR A 32 -7.762 1.647 -2.309 1.00 1.00 H new ATOM 0 HG21 THR A 32 -6.245 1.279 -5.453 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.908 2.413 -5.148 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.931 0.826 -4.342 1.00 1.00 H new ATOM 509 N LEU A 33 -4.924 5.084 -3.185 1.00 1.00 N ATOM 510 CA LEU A 33 -4.079 6.171 -3.691 1.00 1.00 C ATOM 511 C LEU A 33 -2.954 6.454 -2.686 1.00 1.00 C ATOM 512 O LEU A 33 -1.823 6.756 -3.064 1.00 1.00 O ATOM 513 CB LEU A 33 -4.908 7.429 -3.958 1.00 1.00 C ATOM 514 CG LEU A 33 -5.968 7.275 -5.054 1.00 1.00 C ATOM 515 CD1 LEU A 33 -6.767 8.556 -5.207 1.00 1.00 C ATOM 516 CD2 LEU A 33 -5.327 6.890 -6.382 1.00 1.00 C ATOM 0 H LEU A 33 -5.885 5.353 -2.974 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.637 5.866 -4.639 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.402 7.726 -3.033 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.234 8.240 -4.234 1.00 1.00 H new ATOM 0 HG LEU A 33 -6.646 6.475 -4.757 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -7.515 8.427 -5.990 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -7.264 8.789 -4.265 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -6.097 9.373 -5.476 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -6.101 6.787 -7.143 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -4.622 7.665 -6.684 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.799 5.943 -6.270 1.00 1.00 H new ATOM 528 N ARG A 34 -3.274 6.348 -1.397 1.00 1.00 N ATOM 529 CA ARG A 34 -2.276 6.520 -0.345 1.00 1.00 C ATOM 530 C ARG A 34 -1.192 5.437 -0.486 1.00 1.00 C ATOM 531 O ARG A 34 0.001 5.739 -0.493 1.00 1.00 O ATOM 532 CB ARG A 34 -2.938 6.442 1.036 1.00 1.00 C ATOM 533 CG ARG A 34 -1.957 6.475 2.198 1.00 1.00 C ATOM 534 CD ARG A 34 -2.676 6.554 3.545 1.00 1.00 C ATOM 535 NE ARG A 34 -1.735 6.545 4.676 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.001 6.989 5.880 1.00 1.00 C ATOM 537 NH1 ARG A 34 -3.119 7.585 6.142 1.00 1.00 N ATOM 538 NH2 ARG A 34 -1.122 6.846 6.819 1.00 1.00 N ATOM 0 H ARG A 34 -4.214 6.144 -1.058 1.00 1.00 H new ATOM 0 HA ARG A 34 -1.814 7.502 -0.445 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -3.636 7.273 1.140 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -3.524 5.525 1.095 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.332 5.583 2.171 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -1.293 7.333 2.089 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -3.277 7.462 3.582 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -3.363 5.713 3.639 1.00 1.00 H new ATOM 0 HE ARG A 34 -0.804 6.164 4.510 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -3.812 7.716 5.405 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -3.308 7.924 7.086 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -0.231 6.391 6.619 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -1.320 7.188 7.759 1.00 1.00 H new ATOM 552 N ILE A 35 -1.621 4.174 -0.618 1.00 1.00 N ATOM 553 CA ILE A 35 -0.688 3.054 -0.797 1.00 1.00 C ATOM 554 C ILE A 35 0.194 3.291 -2.026 1.00 1.00 C ATOM 555 O ILE A 35 1.404 3.074 -1.985 1.00 1.00 O ATOM 556 CB ILE A 35 -1.430 1.703 -0.952 1.00 1.00 C ATOM 557 CG1 ILE A 35 -2.253 1.414 0.305 1.00 1.00 C ATOM 558 CG2 ILE A 35 -0.449 0.562 -1.227 1.00 1.00 C ATOM 559 CD1 ILE A 35 -3.020 0.110 0.253 1.00 1.00 C ATOM 0 H ILE A 35 -2.604 3.904 -0.604 1.00 1.00 H new ATOM 0 HA ILE A 35 -0.070 3.002 0.099 1.00 1.00 H new ATOM 0 HB ILE A 35 -2.102 1.775 -1.807 1.00 1.00 H new ATOM 0 HG12 ILE A 35 -1.586 1.397 1.167 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -2.957 2.231 0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 35 -0.999 -0.373 -1.331 1.00 1.00 H new ATOM 0 HG22 ILE A 35 0.098 0.766 -2.148 1.00 1.00 H new ATOM 0 HG23 ILE A 35 0.254 0.479 -0.398 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -3.577 -0.021 1.180 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -3.714 0.129 -0.588 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -2.322 -0.718 0.129 1.00 1.00 H new ATOM 571 N ASN A 36 -0.412 3.768 -3.115 1.00 1.00 N ATOM 572 CA ASN A 36 0.346 4.052 -4.331 1.00 1.00 C ATOM 573 C ASN A 36 1.349 5.189 -4.106 1.00 1.00 C ATOM 574 O ASN A 36 2.458 5.145 -4.631 1.00 1.00 O ATOM 575 CB ASN A 36 -0.565 4.399 -5.506 1.00 1.00 C ATOM 576 CG ASN A 36 -1.159 3.168 -6.157 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.562 2.564 -7.035 1.00 1.00 O ATOM 578 ND2 ASN A 36 -2.341 2.778 -5.729 1.00 1.00 N ATOM 0 H ASN A 36 -1.411 3.963 -3.179 1.00 1.00 H new ATOM 0 HA ASN A 36 0.889 3.140 -4.578 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.369 5.048 -5.160 1.00 1.00 H new ATOM 0 HB3 ASN A 36 0.001 4.962 -6.248 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -2.782 1.951 -6.132 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -2.816 3.302 -4.994 1.00 1.00 H new ATOM 585 N ARG A 37 0.987 6.189 -3.293 1.00 1.00 N ATOM 586 CA ARG A 37 1.905 7.298 -3.026 1.00 1.00 C ATOM 587 C ARG A 37 3.106 6.762 -2.263 1.00 1.00 C ATOM 588 O ARG A 37 4.251 7.116 -2.533 1.00 1.00 O ATOM 589 CB ARG A 37 1.245 8.411 -2.205 1.00 1.00 C ATOM 590 CG ARG A 37 2.139 9.636 -2.062 1.00 1.00 C ATOM 591 CD ARG A 37 1.480 10.773 -1.274 1.00 1.00 C ATOM 592 NE ARG A 37 1.303 10.468 0.158 1.00 1.00 N ATOM 593 CZ ARG A 37 1.287 11.371 1.115 1.00 1.00 C ATOM 594 NH1 ARG A 37 1.474 12.619 0.844 1.00 1.00 N ATOM 595 NH2 ARG A 37 1.100 11.013 2.345 1.00 1.00 N ATOM 0 H ARG A 37 0.086 6.252 -2.819 1.00 1.00 H new ATOM 0 HA ARG A 37 2.204 7.727 -3.982 1.00 1.00 H new ATOM 0 HB2 ARG A 37 0.308 8.702 -2.680 1.00 1.00 H new ATOM 0 HB3 ARG A 37 0.996 8.029 -1.215 1.00 1.00 H new ATOM 0 HG2 ARG A 37 3.065 9.347 -1.565 1.00 1.00 H new ATOM 0 HG3 ARG A 37 2.410 9.999 -3.054 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.086 11.673 -1.374 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.507 10.994 -1.714 1.00 1.00 H new ATOM 0 HE ARG A 37 1.185 9.491 0.425 1.00 1.00 H new ATOM 0 HH11 ARG A 37 1.636 12.913 -0.119 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.460 13.311 1.593 1.00 1.00 H new ATOM 0 HH21 ARG A 37 0.965 10.028 2.575 1.00 1.00 H new ATOM 0 HH22 ARG A 37 1.088 11.715 3.084 1.00 1.00 H new ATOM 609 N LEU A 38 2.832 5.881 -1.300 1.00 1.00 N ATOM 610 CA LEU A 38 3.879 5.276 -0.513 1.00 1.00 C ATOM 611 C LEU A 38 4.726 4.371 -1.410 1.00 1.00 C ATOM 612 O LEU A 38 5.943 4.342 -1.304 1.00 1.00 O ATOM 613 CB LEU A 38 3.275 4.486 0.651 1.00 1.00 C ATOM 614 CG LEU A 38 3.032 5.275 1.954 1.00 1.00 C ATOM 615 CD1 LEU A 38 4.335 5.827 2.511 1.00 1.00 C ATOM 616 CD2 LEU A 38 2.027 6.403 1.752 1.00 1.00 C ATOM 0 H LEU A 38 1.890 5.578 -1.055 1.00 1.00 H new ATOM 0 HA LEU A 38 4.519 6.053 -0.094 1.00 1.00 H new ATOM 0 HB2 LEU A 38 2.325 4.065 0.323 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.935 3.648 0.876 1.00 1.00 H new ATOM 0 HG LEU A 38 2.612 4.575 2.677 1.00 1.00 H new ATOM 0 HD11 LEU A 38 4.133 6.378 3.429 1.00 1.00 H new ATOM 0 HD12 LEU A 38 5.017 5.004 2.724 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.790 6.495 1.779 1.00 1.00 H new ATOM 0 HD21 LEU A 38 1.883 6.935 2.693 1.00 1.00 H new ATOM 0 HD22 LEU A 38 2.403 7.095 0.998 1.00 1.00 H new ATOM 0 HD23 LEU A 38 1.075 5.987 1.421 1.00 1.00 H new ATOM 628 N SER A 39 4.066 3.660 -2.320 1.00 1.00 N ATOM 629 CA SER A 39 4.755 2.792 -3.274 1.00 1.00 C ATOM 630 C SER A 39 5.701 3.600 -4.175 1.00 1.00 C ATOM 631 O SER A 39 6.860 3.232 -4.352 1.00 1.00 O ATOM 632 CB SER A 39 3.726 2.057 -4.141 1.00 1.00 C ATOM 633 OG SER A 39 4.344 1.249 -5.141 1.00 1.00 O ATOM 0 H SER A 39 3.051 3.667 -2.418 1.00 1.00 H new ATOM 0 HA SER A 39 5.348 2.071 -2.711 1.00 1.00 H new ATOM 0 HB2 SER A 39 3.099 1.431 -3.506 1.00 1.00 H new ATOM 0 HB3 SER A 39 3.070 2.784 -4.618 1.00 1.00 H new ATOM 0 HG SER A 39 3.964 0.346 -5.113 1.00 1.00 H new ATOM 639 N GLU A 40 5.227 4.733 -4.708 1.00 1.00 N ATOM 640 CA GLU A 40 6.061 5.557 -5.598 1.00 1.00 C ATOM 641 C GLU A 40 7.137 6.309 -4.812 1.00 1.00 C ATOM 642 O GLU A 40 8.044 6.903 -5.388 1.00 1.00 O ATOM 643 CB GLU A 40 5.218 6.508 -6.452 1.00 1.00 C ATOM 644 CG GLU A 40 4.318 7.454 -5.672 1.00 1.00 C ATOM 645 CD GLU A 40 3.473 8.333 -6.578 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.937 9.434 -6.943 1.00 1.00 O ATOM 647 OE2 GLU A 40 2.345 7.922 -6.918 1.00 1.00 O ATOM 0 H GLU A 40 4.288 5.097 -4.544 1.00 1.00 H new ATOM 0 HA GLU A 40 6.568 4.880 -6.285 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.887 7.101 -7.076 1.00 1.00 H new ATOM 0 HB3 GLU A 40 4.598 5.914 -7.124 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.664 6.874 -5.021 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.931 8.085 -5.028 1.00 1.00 H new ATOM 654 N HIS A 41 7.026 6.306 -3.486 1.00 1.00 N ATOM 655 CA HIS A 41 8.054 6.900 -2.655 1.00 1.00 C ATOM 656 C HIS A 41 9.056 5.811 -2.252 1.00 1.00 C ATOM 657 O HIS A 41 10.259 6.021 -2.303 1.00 1.00 O ATOM 658 CB HIS A 41 7.472 7.565 -1.412 1.00 1.00 C ATOM 659 CG HIS A 41 7.008 8.968 -1.646 1.00 1.00 C ATOM 660 ND1 HIS A 41 5.713 9.302 -1.962 1.00 1.00 N ATOM 661 CD2 HIS A 41 7.695 10.139 -1.601 1.00 1.00 C ATOM 662 CE1 HIS A 41 5.649 10.629 -2.095 1.00 1.00 C ATOM 663 NE2 HIS A 41 6.822 11.186 -1.886 1.00 1.00 N ATOM 0 H HIS A 41 6.242 5.902 -2.974 1.00 1.00 H new ATOM 0 HA HIS A 41 8.553 7.680 -3.230 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.634 6.969 -1.050 1.00 1.00 H new ATOM 0 HB3 HIS A 41 8.225 7.567 -0.624 1.00 1.00 H new ATOM 0 HD1 HIS A 41 4.937 8.650 -2.075 1.00 1.00 H new ATOM 0 HD2 HIS A 41 8.747 10.241 -1.380 1.00 1.00 H new ATOM 0 HE1 HIS A 41 4.750 11.174 -2.342 1.00 1.00 H new ATOM 671 N LEU A 42 8.552 4.621 -1.897 1.00 1.00 N ATOM 672 CA LEU A 42 9.418 3.500 -1.504 1.00 1.00 C ATOM 673 C LEU A 42 10.286 3.031 -2.680 1.00 1.00 C ATOM 674 O LEU A 42 11.344 2.439 -2.488 1.00 1.00 O ATOM 675 CB LEU A 42 8.581 2.338 -0.972 1.00 1.00 C ATOM 676 CG LEU A 42 7.815 2.634 0.321 1.00 1.00 C ATOM 677 CD1 LEU A 42 6.959 1.444 0.715 1.00 1.00 C ATOM 678 CD2 LEU A 42 8.768 3.003 1.452 1.00 1.00 C ATOM 0 H LEU A 42 7.554 4.410 -1.874 1.00 1.00 H new ATOM 0 HA LEU A 42 10.079 3.851 -0.712 1.00 1.00 H new ATOM 0 HB2 LEU A 42 7.867 2.042 -1.740 1.00 1.00 H new ATOM 0 HB3 LEU A 42 9.237 1.485 -0.801 1.00 1.00 H new ATOM 0 HG LEU A 42 7.163 3.488 0.138 1.00 1.00 H new ATOM 0 HD11 LEU A 42 6.422 1.671 1.636 1.00 1.00 H new ATOM 0 HD12 LEU A 42 6.244 1.231 -0.080 1.00 1.00 H new ATOM 0 HD13 LEU A 42 7.596 0.574 0.872 1.00 1.00 H new ATOM 0 HD21 LEU A 42 8.196 3.208 2.357 1.00 1.00 H new ATOM 0 HD22 LEU A 42 9.453 2.175 1.635 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.337 3.890 1.174 1.00 1.00 H new ATOM 690 N LYS A 43 9.827 3.295 -3.900 1.00 1.00 N ATOM 691 CA LYS A 43 10.593 2.940 -5.096 1.00 1.00 C ATOM 692 C LYS A 43 11.560 4.078 -5.460 1.00 1.00 C ATOM 693 O LYS A 43 12.117 4.130 -6.556 1.00 1.00 O ATOM 694 CB LYS A 43 9.659 2.594 -6.252 1.00 1.00 C ATOM 695 CG LYS A 43 8.915 1.286 -6.021 1.00 1.00 C ATOM 696 CD LYS A 43 7.933 0.982 -7.138 1.00 1.00 C ATOM 697 CE LYS A 43 7.287 -0.391 -6.970 1.00 1.00 C ATOM 698 NZ LYS A 43 6.470 -0.502 -5.725 1.00 1.00 N ATOM 0 H LYS A 43 8.934 3.751 -4.089 1.00 1.00 H new ATOM 0 HA LYS A 43 11.188 2.051 -4.887 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.938 3.400 -6.388 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.236 2.523 -7.174 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.634 0.470 -5.939 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.380 1.336 -5.073 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.158 1.748 -7.158 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.449 1.025 -8.097 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.654 -0.597 -7.833 1.00 1.00 H new ATOM 0 HE3 LYS A 43 8.066 -1.154 -6.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.057 -1.454 -5.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.076 -0.334 -4.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 5.708 0.205 -5.746 1.00 1.00 H new ATOM 712 N VAL A 44 11.717 5.000 -4.513 1.00 1.00 N ATOM 713 CA VAL A 44 12.644 6.126 -4.621 1.00 1.00 C ATOM 714 C VAL A 44 13.510 6.126 -3.352 1.00 1.00 C ATOM 715 O VAL A 44 14.669 6.544 -3.365 1.00 1.00 O ATOM 716 CB VAL A 44 11.920 7.486 -4.790 1.00 1.00 C ATOM 717 CG1 VAL A 44 12.923 8.628 -4.871 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.048 7.482 -6.037 1.00 1.00 C ATOM 0 H VAL A 44 11.197 4.986 -3.636 1.00 1.00 H new ATOM 0 HA VAL A 44 13.253 6.004 -5.517 1.00 1.00 H new ATOM 0 HB VAL A 44 11.287 7.635 -3.915 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.391 9.572 -4.989 1.00 1.00 H new ATOM 0 HG12 VAL A 44 13.515 8.658 -3.956 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.582 8.473 -5.725 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.550 8.446 -6.136 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.669 7.303 -6.915 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.300 6.694 -5.955 1.00 1.00 H new ATOM 728 N HIS A 45 12.904 5.652 -2.251 1.00 1.00 N ATOM 729 CA HIS A 45 13.586 5.485 -0.969 1.00 1.00 C ATOM 730 C HIS A 45 14.786 4.553 -1.140 1.00 1.00 C ATOM 731 O HIS A 45 14.670 3.327 -1.132 1.00 1.00 O ATOM 732 CB HIS A 45 12.623 4.913 0.075 1.00 1.00 C ATOM 733 CG HIS A 45 11.826 5.950 0.810 1.00 1.00 C ATOM 734 ND1 HIS A 45 11.485 5.860 2.143 1.00 1.00 N ATOM 735 CD2 HIS A 45 11.273 7.108 0.365 1.00 1.00 C ATOM 736 CE1 HIS A 45 10.750 6.933 2.455 1.00 1.00 C ATOM 737 NE2 HIS A 45 10.594 7.722 1.411 1.00 1.00 N ATOM 0 H HIS A 45 11.923 5.374 -2.231 1.00 1.00 H new ATOM 0 HA HIS A 45 13.934 6.459 -0.625 1.00 1.00 H new ATOM 0 HB2 HIS A 45 11.936 4.226 -0.419 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.193 4.329 0.798 1.00 1.00 H new ATOM 0 HD1 HIS A 45 11.747 5.107 2.779 1.00 1.00 H new ATOM 0 HD2 HIS A 45 11.349 7.491 -0.642 1.00 1.00 H new ATOM 0 HE1 HIS A 45 10.338 7.127 3.434 1.00 1.00 H new ATOM 745 N LYS A 46 15.921 5.171 -1.338 1.00 1.00 N ATOM 746 CA LYS A 46 17.180 4.478 -1.547 1.00 1.00 C ATOM 747 C LYS A 46 18.108 4.747 -0.359 1.00 1.00 C ATOM 748 O LYS A 46 19.033 3.994 -0.069 1.00 1.00 O ATOM 749 CB LYS A 46 17.733 4.995 -2.872 1.00 1.00 C ATOM 750 CG LYS A 46 19.085 4.469 -3.297 1.00 1.00 C ATOM 751 CD LYS A 46 19.310 4.796 -4.765 1.00 1.00 C ATOM 752 CE LYS A 46 20.694 4.399 -5.248 1.00 1.00 C ATOM 753 NZ LYS A 46 21.750 5.305 -4.724 1.00 1.00 N ATOM 0 H LYS A 46 16.005 6.187 -1.360 1.00 1.00 H new ATOM 0 HA LYS A 46 17.069 3.395 -1.603 1.00 1.00 H new ATOM 0 HB2 LYS A 46 17.014 4.758 -3.656 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.794 6.082 -2.814 1.00 1.00 H new ATOM 0 HG2 LYS A 46 19.870 4.916 -2.688 1.00 1.00 H new ATOM 0 HG3 LYS A 46 19.135 3.391 -3.140 1.00 1.00 H new ATOM 0 HD2 LYS A 46 18.559 4.284 -5.366 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.168 5.865 -4.921 1.00 1.00 H new ATOM 0 HE2 LYS A 46 20.907 3.376 -4.936 1.00 1.00 H new ATOM 0 HE3 LYS A 46 20.715 4.411 -6.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 22.674 5.018 -5.105 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 21.544 6.282 -5.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 21.772 5.249 -3.686 1.00 1.00 H new ATOM 767 N LYS A 47 17.829 5.848 0.330 1.00 1.00 N ATOM 768 CA LYS A 47 18.574 6.233 1.532 1.00 1.00 C ATOM 769 C LYS A 47 17.729 5.935 2.769 1.00 1.00 C ATOM 770 O LYS A 47 18.034 6.343 3.884 1.00 1.00 O ATOM 771 CB LYS A 47 18.928 7.715 1.490 1.00 1.00 C ATOM 772 CG LYS A 47 20.048 8.041 0.520 1.00 1.00 C ATOM 773 CD LYS A 47 21.350 7.399 0.963 1.00 1.00 C ATOM 774 CE LYS A 47 22.522 7.860 0.119 1.00 1.00 C ATOM 775 NZ LYS A 47 23.812 7.353 0.660 1.00 1.00 N ATOM 0 H LYS A 47 17.085 6.498 0.076 1.00 1.00 H new ATOM 0 HA LYS A 47 19.500 5.659 1.574 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.041 8.285 1.214 1.00 1.00 H new ATOM 0 HB3 LYS A 47 19.217 8.040 2.489 1.00 1.00 H new ATOM 0 HG2 LYS A 47 19.785 7.689 -0.478 1.00 1.00 H new ATOM 0 HG3 LYS A 47 20.174 9.122 0.454 1.00 1.00 H new ATOM 0 HD2 LYS A 47 21.538 7.642 2.009 1.00 1.00 H new ATOM 0 HD3 LYS A 47 21.261 6.315 0.899 1.00 1.00 H new ATOM 0 HE2 LYS A 47 22.394 7.512 -0.906 1.00 1.00 H new ATOM 0 HE3 LYS A 47 22.542 8.949 0.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 24.594 7.685 0.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 23.944 7.706 1.629 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 23.800 6.313 0.668 1.00 1.00 H new ATOM 789 N ASP A 48 16.674 5.194 2.525 1.00 1.00 N ATOM 790 CA ASP A 48 15.713 4.780 3.530 1.00 1.00 C ATOM 791 C ASP A 48 15.244 3.410 3.094 1.00 1.00 C ATOM 792 O ASP A 48 14.437 3.277 2.174 1.00 1.00 O ATOM 793 CB ASP A 48 14.562 5.785 3.611 1.00 1.00 C ATOM 794 CG ASP A 48 13.559 5.435 4.685 1.00 1.00 C ATOM 795 OD1 ASP A 48 12.688 4.580 4.423 1.00 1.00 O ATOM 796 OD2 ASP A 48 13.640 6.003 5.786 1.00 1.00 O ATOM 0 H ASP A 48 16.450 4.849 1.591 1.00 1.00 H new ATOM 0 HA ASP A 48 16.144 4.741 4.530 1.00 1.00 H new ATOM 0 HB2 ASP A 48 14.965 6.779 3.806 1.00 1.00 H new ATOM 0 HB3 ASP A 48 14.055 5.830 2.647 1.00 1.00 H new ATOM 801 N HIS A 49 15.778 2.392 3.727 1.00 1.00 N ATOM 802 CA HIS A 49 15.499 1.030 3.313 1.00 1.00 C ATOM 803 C HIS A 49 14.181 0.453 3.830 1.00 1.00 C ATOM 804 O HIS A 49 14.089 -0.734 4.126 1.00 1.00 O ATOM 805 CB HIS A 49 16.684 0.143 3.667 1.00 1.00 C ATOM 806 CG HIS A 49 17.888 0.467 2.837 1.00 1.00 C ATOM 807 ND1 HIS A 49 18.973 1.184 3.293 1.00 1.00 N ATOM 808 CD2 HIS A 49 18.145 0.191 1.533 1.00 1.00 C ATOM 809 CE1 HIS A 49 19.832 1.322 2.274 1.00 1.00 C ATOM 810 NE2 HIS A 49 19.377 0.736 1.186 1.00 1.00 N ATOM 0 H HIS A 49 16.405 2.476 4.527 1.00 1.00 H new ATOM 0 HA HIS A 49 15.362 1.057 2.232 1.00 1.00 H new ATOM 0 HB2 HIS A 49 16.927 0.265 4.723 1.00 1.00 H new ATOM 0 HB3 HIS A 49 16.412 -0.902 3.521 1.00 1.00 H new ATOM 0 HD2 HIS A 49 17.497 -0.363 0.871 1.00 1.00 H new ATOM 0 HE1 HIS A 49 20.775 1.846 2.337 1.00 1.00 H new ATOM 0 HE2 HIS A 49 19.834 0.691 0.275 1.00 1.00 H new ATOM 818 N HIS A 50 13.149 1.283 3.916 1.00 1.00 N ATOM 819 CA HIS A 50 11.828 0.795 4.304 1.00 1.00 C ATOM 820 C HIS A 50 11.099 0.390 3.036 1.00 1.00 C ATOM 821 O HIS A 50 9.888 0.149 3.013 1.00 1.00 O ATOM 822 CB HIS A 50 11.032 1.845 5.058 1.00 1.00 C ATOM 823 CG HIS A 50 11.534 2.048 6.440 1.00 1.00 C ATOM 824 ND1 HIS A 50 12.448 3.009 6.787 1.00 1.00 N ATOM 825 CD2 HIS A 50 11.251 1.366 7.575 1.00 1.00 C ATOM 826 CE1 HIS A 50 12.699 2.885 8.091 1.00 1.00 C ATOM 827 NE2 HIS A 50 11.994 1.899 8.621 1.00 1.00 N ATOM 0 H HIS A 50 13.197 2.284 3.726 1.00 1.00 H new ATOM 0 HA HIS A 50 11.940 -0.053 4.979 1.00 1.00 H new ATOM 0 HB2 HIS A 50 11.076 2.789 4.516 1.00 1.00 H new ATOM 0 HB3 HIS A 50 9.984 1.546 5.095 1.00 1.00 H new ATOM 0 HD1 HIS A 50 12.863 3.697 6.159 1.00 1.00 H new ATOM 0 HD2 HIS A 50 10.559 0.541 7.654 1.00 1.00 H new ATOM 0 HE1 HIS A 50 13.388 3.508 8.642 1.00 1.00 H new ATOM 835 N SER A 51 11.896 0.334 1.986 1.00 1.00 N ATOM 836 CA SER A 51 11.480 -0.021 0.652 1.00 1.00 C ATOM 837 C SER A 51 10.755 -1.369 0.621 1.00 1.00 C ATOM 838 O SER A 51 11.377 -2.426 0.548 1.00 1.00 O ATOM 839 CB SER A 51 12.737 -0.042 -0.220 1.00 1.00 C ATOM 840 OG SER A 51 13.667 0.937 0.230 1.00 1.00 O ATOM 0 H SER A 51 12.892 0.544 2.047 1.00 1.00 H new ATOM 0 HA SER A 51 10.763 0.709 0.275 1.00 1.00 H new ATOM 0 HB2 SER A 51 13.195 -1.031 -0.186 1.00 1.00 H new ATOM 0 HB3 SER A 51 12.470 0.151 -1.259 1.00 1.00 H new ATOM 0 HG SER A 51 13.804 1.605 -0.473 1.00 1.00 H new ATOM 846 N HIS A 52 9.426 -1.295 0.737 1.00 1.00 N ATOM 847 CA HIS A 52 8.538 -2.469 0.711 1.00 1.00 C ATOM 848 C HIS A 52 8.809 -3.422 1.891 1.00 1.00 C ATOM 849 O HIS A 52 8.372 -4.572 1.876 1.00 1.00 O ATOM 850 CB HIS A 52 8.662 -3.205 -0.633 1.00 1.00 C ATOM 851 CG HIS A 52 8.585 -2.285 -1.815 1.00 1.00 C ATOM 852 ND1 HIS A 52 9.634 -2.066 -2.676 1.00 1.00 N ATOM 853 CD2 HIS A 52 7.578 -1.477 -2.237 1.00 1.00 C ATOM 854 CE1 HIS A 52 9.252 -1.147 -3.567 1.00 1.00 C ATOM 855 NE2 HIS A 52 8.010 -0.757 -3.348 1.00 1.00 N ATOM 0 H HIS A 52 8.928 -0.412 0.853 1.00 1.00 H new ATOM 0 HA HIS A 52 7.514 -2.112 0.819 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.609 -3.743 -0.660 1.00 1.00 H new ATOM 0 HB3 HIS A 52 7.870 -3.950 -0.707 1.00 1.00 H new ATOM 0 HD1 HIS A 52 10.544 -2.525 -2.641 1.00 1.00 H new ATOM 0 HD2 HIS A 52 6.600 -1.405 -1.784 1.00 1.00 H new ATOM 0 HE1 HIS A 52 9.878 -0.772 -4.363 1.00 1.00 H new ATOM 863 N ARG A 53 9.451 -2.880 2.940 1.00 1.00 N ATOM 864 CA ARG A 53 9.847 -3.631 4.156 1.00 1.00 C ATOM 865 C ARG A 53 8.797 -4.662 4.588 1.00 1.00 C ATOM 866 O ARG A 53 9.039 -5.862 4.569 1.00 1.00 O ATOM 867 CB ARG A 53 10.128 -2.634 5.293 1.00 1.00 C ATOM 868 CG ARG A 53 10.533 -3.278 6.613 1.00 1.00 C ATOM 869 CD ARG A 53 10.744 -2.230 7.709 1.00 1.00 C ATOM 870 NE ARG A 53 11.046 -2.839 9.013 1.00 1.00 N ATOM 871 CZ ARG A 53 11.351 -2.174 10.100 1.00 1.00 C ATOM 872 NH1 ARG A 53 11.468 -0.886 10.087 1.00 1.00 N ATOM 873 NH2 ARG A 53 11.556 -2.817 11.204 1.00 1.00 N ATOM 0 H ARG A 53 9.715 -1.895 2.973 1.00 1.00 H new ATOM 0 HA ARG A 53 10.749 -4.197 3.920 1.00 1.00 H new ATOM 0 HB2 ARG A 53 10.920 -1.955 4.976 1.00 1.00 H new ATOM 0 HB3 ARG A 53 9.236 -2.029 5.457 1.00 1.00 H new ATOM 0 HG2 ARG A 53 9.763 -3.983 6.926 1.00 1.00 H new ATOM 0 HG3 ARG A 53 11.451 -3.849 6.473 1.00 1.00 H new ATOM 0 HD2 ARG A 53 11.560 -1.567 7.422 1.00 1.00 H new ATOM 0 HD3 ARG A 53 9.849 -1.614 7.797 1.00 1.00 H new ATOM 0 HE ARG A 53 11.016 -3.857 9.076 1.00 1.00 H new ATOM 0 HH11 ARG A 53 11.322 -0.369 9.220 1.00 1.00 H new ATOM 0 HH12 ARG A 53 11.706 -0.387 10.944 1.00 1.00 H new ATOM 0 HH21 ARG A 53 11.480 -3.834 11.224 1.00 1.00 H new ATOM 0 HH22 ARG A 53 11.794 -2.307 12.055 1.00 1.00 H new ATOM 887 N GLY A 54 7.659 -4.182 5.022 1.00 1.00 N ATOM 888 CA GLY A 54 6.574 -5.065 5.385 1.00 1.00 C ATOM 889 C GLY A 54 5.333 -4.636 4.643 1.00 1.00 C ATOM 890 O GLY A 54 4.210 -4.942 5.028 1.00 1.00 O ATOM 0 H GLY A 54 7.458 -3.188 5.133 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.826 -6.096 5.136 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.402 -5.030 6.461 1.00 1.00 H new ATOM 894 N LEU A 55 5.546 -3.949 3.528 1.00 1.00 N ATOM 895 CA LEU A 55 4.431 -3.426 2.755 1.00 1.00 C ATOM 896 C LEU A 55 3.985 -4.448 1.721 1.00 1.00 C ATOM 897 O LEU A 55 3.014 -4.246 1.000 1.00 1.00 O ATOM 898 CB LEU A 55 4.774 -2.091 2.078 1.00 1.00 C ATOM 899 CG LEU A 55 5.035 -0.884 3.008 1.00 1.00 C ATOM 900 CD1 LEU A 55 3.923 -0.715 4.035 1.00 1.00 C ATOM 901 CD2 LEU A 55 6.392 -0.979 3.700 1.00 1.00 C ATOM 0 H LEU A 55 6.468 -3.744 3.144 1.00 1.00 H new ATOM 0 HA LEU A 55 3.611 -3.235 3.448 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.659 -2.241 1.460 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.956 -1.831 1.406 1.00 1.00 H new ATOM 0 HG LEU A 55 5.047 0.001 2.372 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.142 0.143 4.670 1.00 1.00 H new ATOM 0 HD12 LEU A 55 2.975 -0.554 3.522 1.00 1.00 H new ATOM 0 HD13 LEU A 55 3.855 -1.613 4.649 1.00 1.00 H new ATOM 0 HD21 LEU A 55 6.534 -0.111 4.343 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.431 -1.887 4.302 1.00 1.00 H new ATOM 0 HD23 LEU A 55 7.182 -1.007 2.949 1.00 1.00 H new ATOM 913 N LEU A 56 4.681 -5.572 1.682 1.00 1.00 N ATOM 914 CA LEU A 56 4.347 -6.632 0.754 1.00 1.00 C ATOM 915 C LEU A 56 3.066 -7.313 1.226 1.00 1.00 C ATOM 916 O LEU A 56 2.158 -7.593 0.444 1.00 1.00 O ATOM 917 CB LEU A 56 5.497 -7.631 0.691 1.00 1.00 C ATOM 918 CG LEU A 56 6.835 -7.052 0.220 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.915 -8.118 0.265 1.00 1.00 C ATOM 920 CD2 LEU A 56 6.712 -6.479 -1.186 1.00 1.00 C ATOM 0 H LEU A 56 5.480 -5.771 2.283 1.00 1.00 H new ATOM 0 HA LEU A 56 4.187 -6.226 -0.245 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.635 -8.066 1.681 1.00 1.00 H new ATOM 0 HB3 LEU A 56 5.215 -8.444 0.022 1.00 1.00 H new ATOM 0 HG LEU A 56 7.114 -6.242 0.894 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.860 -7.693 -0.072 1.00 1.00 H new ATOM 0 HD12 LEU A 56 8.025 -8.482 1.287 1.00 1.00 H new ATOM 0 HD13 LEU A 56 7.636 -8.946 -0.387 1.00 1.00 H new ATOM 0 HD21 LEU A 56 7.674 -6.074 -1.499 1.00 1.00 H new ATOM 0 HD22 LEU A 56 6.409 -7.267 -1.875 1.00 1.00 H new ATOM 0 HD23 LEU A 56 5.965 -5.685 -1.191 1.00 1.00 H new ATOM 932 N MET A 57 3.002 -7.545 2.534 1.00 1.00 N ATOM 933 CA MET A 57 1.842 -8.154 3.160 1.00 1.00 C ATOM 934 C MET A 57 0.597 -7.299 2.951 1.00 1.00 C ATOM 935 O MET A 57 -0.464 -7.810 2.609 1.00 1.00 O ATOM 936 CB MET A 57 2.085 -8.308 4.662 1.00 1.00 C ATOM 937 CG MET A 57 0.889 -8.856 5.429 1.00 1.00 C ATOM 938 SD MET A 57 1.209 -9.014 7.198 1.00 1.00 S ATOM 939 CE MET A 57 1.563 -7.316 7.652 1.00 1.00 C ATOM 0 H MET A 57 3.753 -7.315 3.185 1.00 1.00 H new ATOM 0 HA MET A 57 1.685 -9.130 2.701 1.00 1.00 H new ATOM 0 HB2 MET A 57 2.937 -8.970 4.816 1.00 1.00 H new ATOM 0 HB3 MET A 57 2.356 -7.337 5.077 1.00 1.00 H new ATOM 0 HG2 MET A 57 0.033 -8.199 5.276 1.00 1.00 H new ATOM 0 HG3 MET A 57 0.619 -9.831 5.024 1.00 1.00 H new ATOM 0 HE1 MET A 57 1.447 -7.196 8.729 1.00 1.00 H new ATOM 0 HE2 MET A 57 2.586 -7.069 7.367 1.00 1.00 H new ATOM 0 HE3 MET A 57 0.872 -6.650 7.136 1.00 1.00 H new ATOM 949 N MET A 58 0.730 -5.986 3.121 1.00 1.00 N ATOM 950 CA MET A 58 -0.431 -5.123 2.983 1.00 1.00 C ATOM 951 C MET A 58 -0.804 -4.857 1.508 1.00 1.00 C ATOM 952 O MET A 58 -1.980 -4.700 1.203 1.00 1.00 O ATOM 953 CB MET A 58 -0.308 -3.850 3.838 1.00 1.00 C ATOM 954 CG MET A 58 0.958 -3.031 3.655 1.00 1.00 C ATOM 955 SD MET A 58 0.946 -2.030 2.158 1.00 1.00 S ATOM 956 CE MET A 58 -0.334 -0.841 2.555 1.00 1.00 C ATOM 0 H MET A 58 1.604 -5.511 3.348 1.00 1.00 H new ATOM 0 HA MET A 58 -1.284 -5.666 3.390 1.00 1.00 H new ATOM 0 HB2 MET A 58 -1.163 -3.210 3.621 1.00 1.00 H new ATOM 0 HB3 MET A 58 -0.381 -4.135 4.887 1.00 1.00 H new ATOM 0 HG2 MET A 58 1.089 -2.379 4.519 1.00 1.00 H new ATOM 0 HG3 MET A 58 1.816 -3.702 3.629 1.00 1.00 H new ATOM 0 HE1 MET A 58 -0.053 0.139 2.169 1.00 1.00 H new ATOM 0 HE2 MET A 58 -1.275 -1.154 2.102 1.00 1.00 H new ATOM 0 HE3 MET A 58 -0.454 -0.783 3.637 1.00 1.00 H new ATOM 966 N VAL A 59 0.166 -4.824 0.585 1.00 1.00 N ATOM 967 CA VAL A 59 -0.182 -4.670 -0.838 1.00 1.00 C ATOM 968 C VAL A 59 -0.880 -5.963 -1.297 1.00 1.00 C ATOM 969 O VAL A 59 -1.823 -5.944 -2.089 1.00 1.00 O ATOM 970 CB VAL A 59 1.044 -4.344 -1.728 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.699 -4.409 -3.212 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.569 -2.960 -1.385 1.00 1.00 C ATOM 0 H VAL A 59 1.164 -4.899 0.784 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.850 -3.816 -0.947 1.00 1.00 H new ATOM 0 HB VAL A 59 1.810 -5.094 -1.531 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.585 -4.174 -3.802 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.352 -5.412 -3.461 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.087 -3.687 -3.435 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.431 -2.732 -2.012 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.788 -2.221 -1.560 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.865 -2.933 -0.336 1.00 1.00 H new ATOM 982 N GLY A 60 -0.419 -7.093 -0.758 1.00 1.00 N ATOM 983 CA GLY A 60 -1.055 -8.367 -1.043 1.00 1.00 C ATOM 984 C GLY A 60 -2.447 -8.433 -0.420 1.00 1.00 C ATOM 985 O GLY A 60 -3.388 -8.944 -1.029 1.00 1.00 O ATOM 0 H GLY A 60 0.383 -7.146 -0.130 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.128 -8.508 -2.121 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -0.440 -9.180 -0.656 1.00 1.00 H new ATOM 989 N GLN A 61 -2.585 -7.877 0.789 1.00 1.00 N ATOM 990 CA GLN A 61 -3.874 -7.857 1.493 1.00 1.00 C ATOM 991 C GLN A 61 -4.804 -6.820 0.846 1.00 1.00 C ATOM 992 O GLN A 61 -6.011 -6.802 1.087 1.00 1.00 O ATOM 993 CB GLN A 61 -3.666 -7.587 2.990 1.00 1.00 C ATOM 994 CG GLN A 61 -4.928 -7.696 3.845 1.00 1.00 C ATOM 995 CD GLN A 61 -5.583 -9.071 3.801 1.00 1.00 C ATOM 996 OE1 GLN A 61 -5.580 -9.755 2.786 1.00 1.00 O ATOM 997 NE2 GLN A 61 -6.162 -9.485 4.912 1.00 1.00 N ATOM 0 H GLN A 61 -1.821 -7.435 1.301 1.00 1.00 H new ATOM 0 HA GLN A 61 -4.349 -8.834 1.406 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.925 -8.289 3.371 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.249 -6.587 3.109 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.678 -7.456 4.878 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.648 -6.950 3.510 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -6.150 -8.895 5.744 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -6.622 -10.395 4.939 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.219 -5.954 0.006 1.00 1.00 N ATOM 1007 CA ARG A 62 -4.976 -4.966 -0.739 1.00 1.00 C ATOM 1008 C ARG A 62 -5.317 -5.566 -2.100 1.00 1.00 C ATOM 1009 O ARG A 62 -6.171 -5.073 -2.826 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.178 -3.665 -0.891 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.998 -2.478 -1.405 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.556 -1.995 -2.800 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.910 -2.939 -3.879 1.00 1.00 N ATOM 1014 CZ ARG A 62 -4.838 -2.683 -5.166 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -4.359 -1.565 -5.601 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -5.240 -3.571 -6.019 1.00 1.00 N ATOM 0 H ARG A 62 -3.214 -5.927 -0.168 1.00 1.00 H new ATOM 0 HA ARG A 62 -5.892 -4.713 -0.205 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.747 -3.402 0.075 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.347 -3.840 -1.574 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -6.050 -2.760 -1.442 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -4.914 -1.653 -0.698 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.016 -1.028 -3.006 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -3.477 -1.841 -2.800 1.00 1.00 H new ATOM 0 HE ARG A 62 -5.237 -3.865 -3.603 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -4.028 -0.861 -4.941 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -4.312 -1.386 -6.604 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -5.610 -4.463 -5.691 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -5.187 -3.378 -7.019 1.00 1.00 H new ATOM 1030 N ARG A 63 -4.606 -6.625 -2.460 1.00 1.00 N ATOM 1031 CA ARG A 63 -4.886 -7.334 -3.694 1.00 1.00 C ATOM 1032 C ARG A 63 -6.013 -8.336 -3.416 1.00 1.00 C ATOM 1033 O ARG A 63 -6.834 -8.626 -4.278 1.00 1.00 O ATOM 1034 CB ARG A 63 -3.616 -8.018 -4.214 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.808 -8.841 -5.478 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.471 -9.125 -6.172 1.00 1.00 C ATOM 1037 NE ARG A 63 -1.479 -9.773 -5.289 1.00 1.00 N ATOM 1038 CZ ARG A 63 -0.190 -9.831 -5.538 1.00 1.00 C ATOM 1039 NH1 ARG A 63 0.294 -9.296 -6.609 1.00 1.00 N ATOM 1040 NH2 ARG A 63 0.610 -10.425 -4.708 1.00 1.00 N ATOM 0 H ARG A 63 -3.834 -7.009 -1.915 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.209 -6.646 -4.475 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -2.861 -7.255 -4.405 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.223 -8.666 -3.431 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.297 -9.783 -5.229 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -4.469 -8.309 -6.163 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -2.648 -9.763 -7.038 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -2.057 -8.188 -6.545 1.00 1.00 H new ATOM 0 HE ARG A 63 -1.817 -10.204 -4.429 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.325 -8.824 -7.268 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.296 -9.345 -6.796 1.00 1.00 H new ATOM 0 HH21 ARG A 63 0.239 -10.850 -3.858 1.00 1.00 H new ATOM 0 HH22 ARG A 63 1.610 -10.468 -4.905 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.049 -8.849 -2.184 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.108 -9.771 -1.771 1.00 1.00 C ATOM 1056 C ARG A 64 -8.301 -8.982 -1.157 1.00 1.00 C ATOM 1057 O ARG A 64 -9.453 -9.383 -1.307 1.00 1.00 O ATOM 1058 CB ARG A 64 -6.542 -10.841 -0.819 1.00 1.00 C ATOM 1059 CG ARG A 64 -5.410 -11.644 -1.467 1.00 1.00 C ATOM 1060 CD ARG A 64 -4.856 -12.762 -0.575 1.00 1.00 C ATOM 1061 NE ARG A 64 -3.684 -13.413 -1.204 1.00 1.00 N ATOM 1062 CZ ARG A 64 -3.176 -14.582 -0.870 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -3.692 -15.302 0.067 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -2.143 -15.031 -1.510 1.00 1.00 N ATOM 0 H ARG A 64 -5.361 -8.643 -1.459 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.495 -10.298 -2.643 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.173 -10.361 0.088 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -7.341 -11.518 -0.519 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -5.773 -12.080 -2.398 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -4.599 -10.965 -1.729 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -4.572 -12.351 0.394 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -5.633 -13.504 -0.391 1.00 1.00 H new ATOM 0 HE ARG A 64 -3.228 -12.910 -1.966 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -4.515 -14.970 0.571 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -3.278 -16.203 0.304 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -1.731 -14.481 -2.264 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -1.741 -15.935 -1.260 1.00 1.00 H new ATOM 1078 N LEU A 65 -7.997 -7.877 -0.439 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.017 -6.948 0.141 1.00 1.00 C ATOM 1080 C LEU A 65 -10.029 -7.619 1.076 1.00 1.00 C ATOM 1081 O LEU A 65 -11.054 -7.028 1.431 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.774 -6.249 -0.991 1.00 1.00 C ATOM 1083 CG LEU A 65 -8.956 -5.232 -1.783 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -9.702 -4.805 -3.033 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.628 -4.019 -0.928 1.00 1.00 C ATOM 0 H LEU A 65 -7.037 -7.596 -0.240 1.00 1.00 H new ATOM 0 HA LEU A 65 -8.459 -6.238 0.751 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -10.148 -7.007 -1.679 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.643 -5.744 -0.569 1.00 1.00 H new ATOM 0 HG LEU A 65 -8.021 -5.708 -2.079 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -9.103 -4.080 -3.584 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -9.887 -5.676 -3.662 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.653 -4.352 -2.752 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -8.045 -3.308 -1.513 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.553 -3.545 -0.598 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.051 -4.332 -0.058 1.00 1.00 H new ATOM 1097 N LEU A 66 -9.699 -8.804 1.536 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.591 -9.593 2.371 1.00 1.00 C ATOM 1099 C LEU A 66 -11.012 -8.921 3.685 1.00 1.00 C ATOM 1100 O LEU A 66 -12.182 -8.598 3.876 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.930 -10.933 2.694 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.610 -11.814 1.485 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -8.889 -13.079 1.923 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -10.881 -12.164 0.726 1.00 1.00 C ATOM 0 H LEU A 66 -8.804 -9.254 1.344 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.503 -9.716 1.787 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -9.005 -10.741 3.238 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.584 -11.490 3.365 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.954 -11.255 0.818 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -8.669 -13.693 1.050 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -7.958 -12.812 2.423 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -9.522 -13.639 2.611 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -10.632 -12.791 -0.130 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -11.562 -12.703 1.385 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -11.361 -11.249 0.379 1.00 1.00 H new ATOM 1116 N ARG A 67 -10.058 -8.669 4.564 1.00 1.00 N ATOM 1117 CA ARG A 67 -10.371 -8.136 5.895 1.00 1.00 C ATOM 1118 C ARG A 67 -10.776 -6.669 5.928 1.00 1.00 C ATOM 1119 O ARG A 67 -10.980 -6.112 7.002 1.00 1.00 O ATOM 1120 CB ARG A 67 -9.203 -8.369 6.838 1.00 1.00 C ATOM 1121 CG ARG A 67 -8.988 -9.838 7.164 1.00 1.00 C ATOM 1122 CD ARG A 67 -10.252 -10.479 7.744 1.00 1.00 C ATOM 1123 NE ARG A 67 -10.770 -9.742 8.905 1.00 1.00 N ATOM 1124 CZ ARG A 67 -11.987 -9.845 9.377 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -12.881 -10.551 8.766 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -12.307 -9.205 10.455 1.00 1.00 N ATOM 0 H ARG A 67 -9.064 -8.821 4.390 1.00 1.00 H new ATOM 0 HA ARG A 67 -11.253 -8.687 6.221 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -8.295 -7.965 6.390 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -9.374 -7.818 7.763 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -8.690 -10.372 6.261 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -8.170 -9.937 7.877 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -11.021 -10.523 6.972 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -10.034 -11.506 8.036 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.133 -9.102 9.379 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -12.643 -11.039 7.902 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -13.824 -10.620 9.148 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -11.614 -8.626 10.929 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -13.253 -9.279 10.830 1.00 1.00 H new ATOM 1140 N TYR A 68 -10.914 -6.046 4.788 1.00 1.00 N ATOM 1141 CA TYR A 68 -11.325 -4.656 4.771 1.00 1.00 C ATOM 1142 C TYR A 68 -12.684 -4.533 4.104 1.00 1.00 C ATOM 1143 O TYR A 68 -13.633 -4.020 4.685 1.00 1.00 O ATOM 1144 CB TYR A 68 -10.286 -3.799 4.053 1.00 1.00 C ATOM 1145 CG TYR A 68 -10.257 -2.362 4.523 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -11.166 -1.425 4.043 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -9.307 -1.941 5.443 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -11.128 -0.110 4.471 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -9.265 -0.631 5.877 1.00 1.00 C ATOM 1150 CZ TYR A 68 -10.174 0.281 5.386 1.00 1.00 C ATOM 1151 OH TYR A 68 -10.124 1.588 5.808 1.00 1.00 O ATOM 0 H TYR A 68 -10.753 -6.464 3.872 1.00 1.00 H new ATOM 0 HA TYR A 68 -11.404 -4.295 5.796 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -9.300 -4.240 4.199 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -10.489 -3.818 2.982 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -11.913 -1.729 3.325 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -8.588 -2.650 5.826 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -11.841 0.606 4.091 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -8.523 -0.322 6.598 1.00 1.00 H new ATOM 0 HH TYR A 68 -9.395 1.696 6.453 1.00 1.00 H new ATOM 1161 N LEU A 69 -12.780 -5.070 2.905 1.00 1.00 N ATOM 1162 CA LEU A 69 -14.020 -5.014 2.137 1.00 1.00 C ATOM 1163 C LEU A 69 -15.012 -6.114 2.534 1.00 1.00 C ATOM 1164 O LEU A 69 -16.142 -5.836 2.921 1.00 1.00 O ATOM 1165 CB LEU A 69 -13.723 -5.173 0.649 1.00 1.00 C ATOM 1166 CG LEU A 69 -13.263 -3.923 -0.103 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -11.988 -3.338 0.491 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -13.056 -4.268 -1.568 1.00 1.00 C ATOM 0 H LEU A 69 -12.015 -5.553 2.435 1.00 1.00 H new ATOM 0 HA LEU A 69 -14.468 -4.044 2.352 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -12.955 -5.938 0.536 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.622 -5.550 0.162 1.00 1.00 H new ATOM 0 HG LEU A 69 -14.038 -3.162 -0.008 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -11.697 -2.452 -0.073 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -12.164 -3.064 1.531 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -11.190 -4.079 0.441 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -12.728 -3.380 -2.108 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -12.298 -5.046 -1.655 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.994 -4.626 -1.994 1.00 1.00 H new ATOM 1180 N GLN A 70 -14.560 -7.362 2.479 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.431 -8.515 2.758 1.00 1.00 C ATOM 1182 C GLN A 70 -15.913 -8.507 4.200 1.00 1.00 C ATOM 1183 O GLN A 70 -17.005 -8.973 4.512 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.685 -9.813 2.442 1.00 1.00 C ATOM 1185 CG GLN A 70 -15.553 -11.062 2.498 1.00 1.00 C ATOM 1186 CD GLN A 70 -14.745 -12.345 2.374 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -13.552 -12.361 2.935 1.00 1.00 O flip ATOM 1188 NE2 GLN A 70 -15.193 -13.320 1.789 1.00 1.00 N flip ATOM 0 H GLN A 70 -13.598 -7.609 2.245 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.312 -8.446 2.120 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -14.246 -9.734 1.447 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -13.861 -9.925 3.146 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -16.104 -11.074 3.438 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -16.291 -11.023 1.696 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -16.119 -13.279 1.364 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -14.640 -14.175 1.725 1.00 1.00 H new ATOM 1197 N ARG A 71 -15.077 -7.966 5.059 1.00 1.00 N ATOM 1198 CA ARG A 71 -15.375 -7.839 6.475 1.00 1.00 C ATOM 1199 C ARG A 71 -16.621 -6.995 6.729 1.00 1.00 C ATOM 1200 O ARG A 71 -17.487 -7.352 7.521 1.00 1.00 O ATOM 1201 CB ARG A 71 -14.204 -7.144 7.167 1.00 1.00 C ATOM 1202 CG ARG A 71 -14.445 -6.867 8.646 1.00 1.00 C ATOM 1203 CD ARG A 71 -13.401 -5.917 9.232 1.00 1.00 C ATOM 1204 NE ARG A 71 -13.640 -5.641 10.660 1.00 1.00 N ATOM 1205 CZ ARG A 71 -13.623 -4.450 11.217 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -13.413 -3.384 10.515 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -13.830 -4.339 12.491 1.00 1.00 N ATOM 0 H ARG A 71 -14.163 -7.598 4.796 1.00 1.00 H new ATOM 0 HA ARG A 71 -15.545 -8.843 6.863 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -13.313 -7.762 7.063 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -14.000 -6.202 6.658 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -15.438 -6.438 8.777 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -14.429 -7.807 9.198 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -12.408 -6.350 9.108 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -13.412 -4.980 8.676 1.00 1.00 H new ATOM 0 HE ARG A 71 -13.834 -6.439 11.265 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -13.257 -3.458 9.510 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -13.404 -2.470 10.967 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -14.004 -5.172 13.054 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -13.819 -3.419 12.931 1.00 1.00 H new ATOM 1221 N GLU A 72 -16.703 -5.893 6.025 1.00 1.00 N ATOM 1222 CA GLU A 72 -17.788 -4.941 6.215 1.00 1.00 C ATOM 1223 C GLU A 72 -19.066 -5.393 5.515 1.00 1.00 C ATOM 1224 O GLU A 72 -20.180 -5.121 5.975 1.00 1.00 O ATOM 1225 CB GLU A 72 -17.333 -3.593 5.677 1.00 1.00 C ATOM 1226 CG GLU A 72 -18.292 -2.467 5.984 1.00 1.00 C ATOM 1227 CD GLU A 72 -17.822 -1.147 5.416 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -16.841 -0.585 5.945 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -18.427 -0.674 4.430 1.00 1.00 O ATOM 0 H GLU A 72 -16.029 -5.625 5.308 1.00 1.00 H new ATOM 0 HA GLU A 72 -18.021 -4.869 7.277 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -16.357 -3.353 6.098 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -17.205 -3.666 4.597 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -19.274 -2.707 5.577 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -18.409 -2.375 7.064 1.00 1.00 H new ATOM 1236 N ASP A 73 -18.881 -6.130 4.426 1.00 1.00 N ATOM 1237 CA ASP A 73 -19.971 -6.619 3.622 1.00 1.00 C ATOM 1238 C ASP A 73 -19.415 -7.521 2.510 1.00 1.00 C ATOM 1239 O ASP A 73 -18.704 -7.056 1.614 1.00 1.00 O ATOM 1240 CB ASP A 73 -20.739 -5.444 3.020 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.013 -5.879 2.350 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -21.925 -6.440 1.245 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.094 -5.645 2.916 1.00 1.00 O ATOM 0 H ASP A 73 -17.960 -6.402 4.082 1.00 1.00 H new ATOM 0 HA ASP A 73 -20.655 -7.198 4.243 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -20.971 -4.724 3.805 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.106 -4.932 2.295 1.00 1.00 H new ATOM 1248 N PRO A 74 -19.684 -8.832 2.578 1.00 1.00 N ATOM 1249 CA PRO A 74 -19.213 -9.796 1.570 1.00 1.00 C ATOM 1250 C PRO A 74 -19.814 -9.567 0.176 1.00 1.00 C ATOM 1251 O PRO A 74 -19.284 -10.062 -0.825 1.00 1.00 O ATOM 1252 CB PRO A 74 -19.657 -11.149 2.128 1.00 1.00 C ATOM 1253 CG PRO A 74 -19.905 -10.898 3.576 1.00 1.00 C ATOM 1254 CD PRO A 74 -20.438 -9.497 3.649 1.00 1.00 C ATOM 0 HA PRO A 74 -18.137 -9.709 1.418 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -20.557 -11.507 1.628 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -18.889 -11.908 1.984 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -20.621 -11.613 3.982 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -18.988 -11.001 4.156 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -21.514 -9.459 3.476 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -20.255 -9.040 4.622 1.00 1.00 H new ATOM 1262 N GLU A 75 -20.904 -8.814 0.100 1.00 1.00 N ATOM 1263 CA GLU A 75 -21.527 -8.513 -1.183 1.00 1.00 C ATOM 1264 C GLU A 75 -20.780 -7.347 -1.802 1.00 1.00 C ATOM 1265 O GLU A 75 -20.390 -7.377 -2.970 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.003 -8.129 -1.026 1.00 1.00 C ATOM 1267 CG GLU A 75 -23.957 -9.280 -0.715 1.00 1.00 C ATOM 1268 CD GLU A 75 -23.636 -10.019 0.575 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.921 -9.480 1.663 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -23.111 -11.152 0.495 1.00 1.00 O ATOM 0 H GLU A 75 -21.373 -8.402 0.907 1.00 1.00 H new ATOM 0 HA GLU A 75 -21.480 -9.402 -1.812 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.084 -7.389 -0.230 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.333 -7.646 -1.945 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.973 -8.890 -0.655 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -23.936 -9.989 -1.543 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.559 -6.314 -0.995 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.829 -5.150 -1.457 1.00 1.00 C ATOM 1279 C ARG A 76 -18.346 -5.490 -1.645 1.00 1.00 C ATOM 1280 O ARG A 76 -17.609 -4.721 -2.259 1.00 1.00 O ATOM 1281 CB ARG A 76 -20.030 -3.943 -0.542 1.00 1.00 C ATOM 1282 CG ARG A 76 -21.496 -3.571 -0.364 1.00 1.00 C ATOM 1283 CD ARG A 76 -21.713 -2.061 -0.482 1.00 1.00 C ATOM 1284 NE ARG A 76 -21.575 -1.584 -1.871 1.00 1.00 N ATOM 1285 CZ ARG A 76 -21.185 -0.375 -2.224 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.787 0.486 -1.355 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.162 -0.047 -3.468 1.00 1.00 N ATOM 0 H ARG A 76 -20.874 -6.264 -0.026 1.00 1.00 H new ATOM 0 HA ARG A 76 -20.234 -4.863 -2.427 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.594 -4.157 0.434 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -19.491 -3.089 -0.952 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -22.096 -4.085 -1.115 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -21.843 -3.914 0.611 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -22.706 -1.808 -0.110 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.994 -1.542 0.152 1.00 1.00 H new ATOM 0 HE ARG A 76 -21.799 -2.242 -2.618 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -20.768 0.240 -0.365 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -20.491 1.415 -1.656 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -21.445 -0.722 -4.179 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -20.861 0.888 -3.743 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.900 -6.625 -1.078 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.535 -7.111 -1.330 1.00 1.00 C ATOM 1303 C TYR A 77 -16.376 -7.157 -2.831 1.00 1.00 C ATOM 1304 O TYR A 77 -15.497 -6.539 -3.424 1.00 1.00 O ATOM 1305 CB TYR A 77 -16.341 -8.552 -0.819 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.033 -9.181 -1.269 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -13.830 -8.554 -0.996 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -15.001 -10.379 -1.989 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -12.630 -9.098 -1.404 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -13.797 -10.931 -2.398 1.00 1.00 C ATOM 1311 CZ TYR A 77 -12.617 -10.279 -2.112 1.00 1.00 C ATOM 1312 OH TYR A 77 -11.420 -10.819 -2.516 1.00 1.00 O ATOM 0 H TYR A 77 -18.454 -7.212 -0.454 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.820 -6.460 -0.827 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.380 -8.552 0.270 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.170 -9.168 -1.167 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -13.831 -7.621 -0.453 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -15.926 -10.881 -2.230 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -11.702 -8.598 -1.169 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -13.784 -11.866 -2.938 1.00 1.00 H new ATOM 0 HH TYR A 77 -10.682 -10.286 -2.153 1.00 1.00 H new ATOM 1322 N ARG A 78 -17.327 -7.870 -3.433 1.00 1.00 N ATOM 1323 CA ARG A 78 -17.382 -8.062 -4.852 1.00 1.00 C ATOM 1324 C ARG A 78 -17.497 -6.751 -5.599 1.00 1.00 C ATOM 1325 O ARG A 78 -16.716 -6.471 -6.497 1.00 1.00 O ATOM 1326 CB ARG A 78 -18.608 -8.886 -5.206 1.00 1.00 C ATOM 1327 CG ARG A 78 -18.644 -10.279 -4.625 1.00 1.00 C ATOM 1328 CD ARG A 78 -19.936 -10.971 -5.044 1.00 1.00 C ATOM 1329 NE ARG A 78 -20.044 -12.344 -4.541 1.00 1.00 N ATOM 1330 CZ ARG A 78 -20.759 -13.284 -5.108 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -21.403 -13.058 -6.208 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -20.820 -14.453 -4.566 1.00 1.00 N ATOM 0 H ARG A 78 -18.084 -8.330 -2.927 1.00 1.00 H new ATOM 0 HA ARG A 78 -16.458 -8.563 -5.140 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -19.495 -8.348 -4.871 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -18.672 -8.962 -6.291 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -17.783 -10.851 -4.971 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -18.580 -10.233 -3.538 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -20.785 -10.391 -4.683 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -19.998 -10.983 -6.132 1.00 1.00 H new ATOM 0 HE ARG A 78 -19.529 -12.583 -3.694 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -21.358 -12.138 -6.645 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -21.955 -13.800 -6.637 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -20.313 -14.641 -3.701 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -21.375 -15.189 -5.002 1.00 1.00 H new ATOM 1346 N ALA A 79 -18.439 -5.914 -5.196 1.00 1.00 N ATOM 1347 CA ALA A 79 -18.650 -4.687 -5.928 1.00 1.00 C ATOM 1348 C ALA A 79 -17.489 -3.700 -5.809 1.00 1.00 C ATOM 1349 O ALA A 79 -17.164 -3.026 -6.778 1.00 1.00 O ATOM 1350 CB ALA A 79 -19.973 -4.039 -5.577 1.00 1.00 C ATOM 0 H ALA A 79 -19.050 -6.058 -4.392 1.00 1.00 H new ATOM 0 HA ALA A 79 -18.691 -4.975 -6.978 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -20.091 -3.119 -6.150 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -20.788 -4.723 -5.816 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -19.994 -3.808 -4.512 1.00 1.00 H new ATOM 1356 N LEU A 80 -16.828 -3.609 -4.665 1.00 1.00 N ATOM 1357 CA LEU A 80 -15.720 -2.674 -4.577 1.00 1.00 C ATOM 1358 C LEU A 80 -14.463 -3.263 -5.245 1.00 1.00 C ATOM 1359 O LEU A 80 -13.545 -2.532 -5.607 1.00 1.00 O ATOM 1360 CB LEU A 80 -15.496 -2.218 -3.131 1.00 1.00 C ATOM 1361 CG LEU A 80 -14.446 -1.113 -2.912 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -14.683 0.079 -3.829 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -14.470 -0.649 -1.464 1.00 1.00 C ATOM 0 H LEU A 80 -17.027 -4.145 -3.820 1.00 1.00 H new ATOM 0 HA LEU A 80 -15.967 -1.770 -5.134 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -16.448 -1.867 -2.733 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -15.205 -3.087 -2.541 1.00 1.00 H new ATOM 0 HG LEU A 80 -13.470 -1.537 -3.149 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.922 0.837 -3.644 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -14.628 -0.245 -4.868 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -15.669 0.499 -3.632 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -13.724 0.132 -1.320 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -15.458 -0.256 -1.224 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -14.245 -1.490 -0.809 1.00 1.00 H new ATOM 1375 N ILE A 81 -14.426 -4.577 -5.475 1.00 1.00 N ATOM 1376 CA ILE A 81 -13.266 -5.136 -6.173 1.00 1.00 C ATOM 1377 C ILE A 81 -13.475 -4.976 -7.665 1.00 1.00 C ATOM 1378 O ILE A 81 -12.532 -4.985 -8.460 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.949 -6.598 -5.842 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -14.056 -7.559 -6.244 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -12.644 -6.727 -4.368 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -13.616 -8.987 -6.043 1.00 1.00 C ATOM 0 H ILE A 81 -15.147 -5.246 -5.204 1.00 1.00 H new ATOM 0 HA ILE A 81 -12.399 -4.576 -5.823 1.00 1.00 H new ATOM 0 HB ILE A 81 -12.076 -6.880 -6.431 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.950 -7.361 -5.652 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.323 -7.398 -7.288 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.419 -7.767 -4.133 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.785 -6.104 -4.118 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.508 -6.403 -3.788 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -14.421 -9.661 -6.336 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -12.736 -9.186 -6.654 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.372 -9.148 -4.993 1.00 1.00 H new ATOM 1394 N GLU A 82 -14.737 -4.867 -8.040 1.00 1.00 N ATOM 1395 CA GLU A 82 -15.096 -4.612 -9.412 1.00 1.00 C ATOM 1396 C GLU A 82 -14.852 -3.124 -9.701 1.00 1.00 C ATOM 1397 O GLU A 82 -14.596 -2.735 -10.833 1.00 1.00 O ATOM 1398 CB GLU A 82 -16.545 -5.023 -9.662 1.00 1.00 C ATOM 1399 CG GLU A 82 -16.742 -6.530 -9.576 1.00 1.00 C ATOM 1400 CD GLU A 82 -18.183 -6.960 -9.738 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -18.747 -6.730 -10.826 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -18.732 -7.563 -8.793 1.00 1.00 O ATOM 0 H GLU A 82 -15.530 -4.953 -7.405 1.00 1.00 H new ATOM 0 HA GLU A 82 -14.483 -5.204 -10.092 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -17.190 -4.532 -8.933 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -16.854 -4.674 -10.647 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -16.139 -7.012 -10.345 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -16.372 -6.883 -8.613 1.00 1.00 H new ATOM 1409 N LYS A 83 -14.923 -2.289 -8.652 1.00 1.00 N ATOM 1410 CA LYS A 83 -14.630 -0.856 -8.797 1.00 1.00 C ATOM 1411 C LYS A 83 -13.115 -0.643 -8.916 1.00 1.00 C ATOM 1412 O LYS A 83 -12.635 0.023 -9.828 1.00 1.00 O ATOM 1413 CB LYS A 83 -15.115 -0.039 -7.590 1.00 1.00 C ATOM 1414 CG LYS A 83 -16.612 -0.071 -7.327 1.00 1.00 C ATOM 1415 CD LYS A 83 -17.417 0.420 -8.516 1.00 1.00 C ATOM 1416 CE LYS A 83 -18.911 0.430 -8.211 1.00 1.00 C ATOM 1417 NZ LYS A 83 -19.290 1.475 -7.215 1.00 1.00 N ATOM 0 H LYS A 83 -15.177 -2.577 -7.707 1.00 1.00 H new ATOM 0 HA LYS A 83 -15.154 -0.519 -9.692 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -14.601 -0.402 -6.700 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -14.812 0.998 -7.732 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -16.914 -1.089 -7.083 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -16.839 0.546 -6.458 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -17.093 1.425 -8.787 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -17.224 -0.220 -9.377 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -19.465 0.597 -9.135 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -19.207 -0.549 -7.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -20.326 1.517 -7.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -18.879 1.238 -6.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -18.929 2.399 -7.527 1.00 1.00 H new ATOM 1431 N LEU A 84 -12.368 -1.227 -7.973 1.00 1.00 N ATOM 1432 CA LEU A 84 -10.907 -1.095 -7.945 1.00 1.00 C ATOM 1433 C LEU A 84 -10.235 -1.856 -9.094 1.00 1.00 C ATOM 1434 O LEU A 84 -9.103 -1.560 -9.466 1.00 1.00 O ATOM 1435 CB LEU A 84 -10.357 -1.590 -6.605 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.790 -0.783 -5.377 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -10.261 -1.432 -4.112 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -10.304 0.656 -5.469 1.00 1.00 C ATOM 0 H LEU A 84 -12.751 -1.796 -7.218 1.00 1.00 H new ATOM 0 HA LEU A 84 -10.676 -0.037 -8.069 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -10.666 -2.626 -6.465 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.268 -1.587 -6.655 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.879 -0.773 -5.345 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.575 -0.850 -3.246 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.655 -2.445 -4.031 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -9.172 -1.468 -4.150 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.625 1.206 -4.584 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -9.216 0.669 -5.529 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -10.722 1.125 -6.360 1.00 1.00 H new ATOM 1450 N GLY A 85 -10.922 -2.854 -9.629 1.00 1.00 N ATOM 1451 CA GLY A 85 -10.370 -3.615 -10.737 1.00 1.00 C ATOM 1452 C GLY A 85 -9.457 -4.731 -10.279 1.00 1.00 C ATOM 1453 O GLY A 85 -8.315 -4.844 -10.711 1.00 1.00 O ATOM 0 H GLY A 85 -11.847 -3.152 -9.320 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -11.185 -4.036 -11.326 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.816 -2.944 -11.394 1.00 1.00 H new ATOM 1457 N ILE A 86 -9.956 -5.561 -9.396 1.00 1.00 N ATOM 1458 CA ILE A 86 -9.174 -6.661 -8.869 1.00 1.00 C ATOM 1459 C ILE A 86 -9.320 -7.910 -9.748 1.00 1.00 C ATOM 1460 O ILE A 86 -8.374 -8.692 -9.925 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.571 -6.925 -7.397 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -8.518 -6.325 -6.446 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.809 -8.395 -7.095 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -8.429 -4.812 -6.516 1.00 1.00 C ATOM 0 H ILE A 86 -10.904 -5.498 -9.024 1.00 1.00 H new ATOM 0 HA ILE A 86 -8.117 -6.394 -8.886 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.527 -6.428 -7.232 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -8.754 -6.620 -5.424 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.542 -6.749 -6.683 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -10.084 -8.511 -6.047 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -10.615 -8.770 -7.725 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.899 -8.960 -7.296 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.668 -4.460 -5.820 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -8.163 -4.510 -7.529 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -9.393 -4.378 -6.250 1.00 1.00 H new ATOM 1476 N ARG A 87 -10.484 -8.122 -10.373 1.00 1.00 N ATOM 1477 CA ARG A 87 -10.717 -9.324 -11.275 1.00 1.00 C ATOM 1478 C ARG A 87 -10.431 -8.948 -12.731 1.00 1.00 C ATOM 1479 O ARG A 87 -10.218 -9.723 -13.621 1.00 1.00 O ATOM 1480 CB ARG A 87 -12.172 -9.714 -11.214 1.00 1.00 C ATOM 1481 CG ARG A 87 -12.680 -10.156 -9.861 1.00 1.00 C ATOM 1482 CD ARG A 87 -14.105 -10.707 -10.005 1.00 1.00 C ATOM 1483 NE ARG A 87 -15.030 -9.738 -10.630 1.00 1.00 N ATOM 1484 CZ ARG A 87 -16.006 -10.043 -11.461 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -16.261 -11.269 -11.766 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -16.738 -9.103 -11.976 1.00 1.00 N ATOM 0 H ARG A 87 -11.289 -7.501 -10.291 1.00 1.00 H new ATOM 0 HA ARG A 87 -10.066 -10.133 -10.944 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -12.770 -8.865 -11.546 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -12.342 -10.521 -11.926 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -12.023 -10.921 -9.446 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -12.672 -9.317 -9.166 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -14.080 -11.617 -10.604 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -14.485 -10.983 -9.021 1.00 1.00 H new ATOM 0 HE ARG A 87 -14.902 -8.753 -10.399 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -15.703 -12.022 -11.362 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -17.020 -11.487 -12.411 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -16.558 -8.128 -11.737 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -17.493 -9.340 -12.619 1.00 1.00 H new ATOM 1500 N GLY A 88 -10.396 -7.595 -12.762 1.00 1.00 N ATOM 1501 CA GLY A 88 -10.238 -6.686 -13.889 1.00 1.00 C ATOM 1502 C GLY A 88 -11.490 -6.303 -14.602 1.00 1.00 C ATOM 1503 O GLY A 88 -12.032 -7.191 -15.365 1.00 1.00 O ATOM 1504 OXT GLY A 88 -11.740 -5.102 -14.679 1.00 1.00 O ATOM 0 H GLY A 88 -10.490 -7.069 -11.893 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -9.755 -5.777 -13.532 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.560 -7.146 -14.608 1.00 1.00 H new