USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 465 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 64 THR OG1 : rot 34:sc= 0.135 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.435 K(o=0.57,f=-0.19) USER MOD Set 2.1: A 65 CYS SG : rot 120:sc= -2.42! USER MOD Set 2.2: A 68 CYS SG : rot -39:sc= -1.48 USER MOD Set 2.3: A 81 HIS : no HD1:sc= -11.1! C(o=-17!,f=-18!) USER MOD Set 2.4: A 86 HIS : no HD1:sc= -1.92 X(o=-17,f=-17) USER MOD Set 3.1: A 37 CYS SG : rot 127:sc= -0.0124 USER MOD Set 3.2: A 40 CYS SG : rot -47:sc= 0.4 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= 0.353 F(o=-1.4,f=0.74) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= -0.682 (180deg=-0.744) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -179:sc= -2.13 (180deg=-2.18) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.0082) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 153:sc= 0 (180deg=-0.967) USER MOD Single : A 79 LYS NZ :NH3+ -115:sc=-0.00688 (180deg=-0.15) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 175:sc= 0 (180deg=-0.0135) USER MOD Single : A 85 ASN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.291 9.399 0.314 1.00 0.00 N ATOM 263 CA SER A 20 -4.599 9.356 -1.111 1.00 0.00 C ATOM 264 C SER A 20 -3.961 8.135 -1.768 1.00 0.00 C ATOM 265 O SER A 20 -3.140 7.447 -1.160 1.00 0.00 O ATOM 266 CB SER A 20 -4.111 10.632 -1.799 1.00 0.00 C ATOM 267 OG SER A 20 -5.025 11.697 -1.604 1.00 0.00 O ATOM 0 HA SER A 20 -5.681 9.283 -1.221 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.134 10.910 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.984 10.448 -2.866 1.00 0.00 H new ATOM 0 HG SER A 20 -4.690 12.502 -2.052 1.00 0.00 H new ATOM 273 N LEU A 21 -4.344 7.873 -3.012 1.00 0.00 N ATOM 274 CA LEU A 21 -3.810 6.735 -3.754 1.00 0.00 C ATOM 275 C LEU A 21 -2.308 6.884 -3.972 1.00 0.00 C ATOM 276 O LEU A 21 -1.548 5.933 -3.792 1.00 0.00 O ATOM 277 CB LEU A 21 -4.522 6.600 -5.101 1.00 0.00 C ATOM 278 CG LEU A 21 -5.790 5.746 -5.108 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.590 5.987 -6.378 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.440 4.271 -4.967 1.00 0.00 C ATOM 0 H LEU A 21 -5.022 8.433 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.985 5.834 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.779 7.598 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.820 6.178 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.405 6.036 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.489 5.370 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.872 7.038 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.984 5.725 -7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.354 3.678 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.804 3.967 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.911 4.111 -4.028 1.00 0.00 H new ATOM 292 N GLU A 22 -1.887 8.084 -4.358 1.00 0.00 N ATOM 293 CA GLU A 22 -0.475 8.357 -4.599 1.00 0.00 C ATOM 294 C GLU A 22 0.397 7.685 -3.542 1.00 0.00 C ATOM 295 O GLU A 22 1.454 7.137 -3.852 1.00 0.00 O ATOM 296 CB GLU A 22 -0.218 9.865 -4.604 1.00 0.00 C ATOM 297 CG GLU A 22 -0.912 10.597 -5.740 1.00 0.00 C ATOM 298 CD GLU A 22 -0.583 12.077 -5.769 1.00 0.00 C ATOM 299 OE1 GLU A 22 0.607 12.423 -5.616 1.00 0.00 O ATOM 300 OE2 GLU A 22 -1.515 12.889 -5.944 1.00 0.00 O ATOM 0 H GLU A 22 -2.503 8.882 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.214 7.948 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.551 10.285 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.855 10.042 -4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.622 10.146 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.990 10.470 -5.643 1.00 0.00 H new ATOM 307 N GLU A 23 -0.055 7.733 -2.292 1.00 0.00 N ATOM 308 CA GLU A 23 0.685 7.131 -1.190 1.00 0.00 C ATOM 309 C GLU A 23 0.820 5.623 -1.385 1.00 0.00 C ATOM 310 O GLU A 23 1.913 5.069 -1.272 1.00 0.00 O ATOM 311 CB GLU A 23 -0.012 7.423 0.141 1.00 0.00 C ATOM 312 CG GLU A 23 0.616 6.709 1.326 1.00 0.00 C ATOM 313 CD GLU A 23 0.270 7.363 2.650 1.00 0.00 C ATOM 314 OE1 GLU A 23 0.180 8.607 2.693 1.00 0.00 O ATOM 315 OE2 GLU A 23 0.089 6.628 3.644 1.00 0.00 O ATOM 0 H GLU A 23 -0.929 8.182 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 23 1.683 7.569 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.007 8.497 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.059 7.131 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.282 5.671 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.699 6.694 1.204 1.00 0.00 H new ATOM 322 N GLN A 24 -0.298 4.968 -1.678 1.00 0.00 N ATOM 323 CA GLN A 24 -0.304 3.525 -1.888 1.00 0.00 C ATOM 324 C GLN A 24 0.518 3.150 -3.117 1.00 0.00 C ATOM 325 O GLN A 24 1.491 2.402 -3.021 1.00 0.00 O ATOM 326 CB GLN A 24 -1.738 3.017 -2.045 1.00 0.00 C ATOM 327 CG GLN A 24 -2.642 3.379 -0.877 1.00 0.00 C ATOM 328 CD GLN A 24 -4.001 2.712 -0.963 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.141 1.522 -0.680 1.00 0.00 O ATOM 330 NE2 GLN A 24 -5.013 3.478 -1.355 1.00 0.00 N ATOM 0 H GLN A 24 -1.211 5.413 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 24 0.147 3.055 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.161 3.426 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.721 1.933 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.158 3.090 0.056 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.774 4.461 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.852 4.460 -1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.951 3.084 -1.431 1.00 0.00 H new ATOM 339 N TRP A 25 0.119 3.673 -4.271 1.00 0.00 N ATOM 340 CA TRP A 25 0.818 3.392 -5.520 1.00 0.00 C ATOM 341 C TRP A 25 2.324 3.569 -5.352 1.00 0.00 C ATOM 342 O TRP A 25 3.114 2.919 -6.036 1.00 0.00 O ATOM 343 CB TRP A 25 0.306 4.308 -6.632 1.00 0.00 C ATOM 344 CG TRP A 25 -1.090 3.985 -7.071 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.757 2.808 -6.883 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.989 4.850 -7.774 1.00 0.00 C ATOM 347 NE1 TRP A 25 -3.017 2.889 -7.427 1.00 0.00 N ATOM 348 CE2 TRP A 25 -3.184 4.132 -7.978 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.903 6.162 -8.249 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -4.280 4.683 -8.637 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.991 6.707 -8.903 1.00 0.00 C ATOM 352 CH2 TRP A 25 -4.167 5.969 -9.091 1.00 0.00 C ATOM 0 H TRP A 25 -0.685 4.294 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 25 0.620 2.355 -5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.341 5.341 -6.287 1.00 0.00 H new ATOM 0 HB3 TRP A 25 0.975 4.236 -7.490 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.354 1.941 -6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.714 2.145 -7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -1.002 6.740 -8.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.187 4.116 -8.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.934 7.719 -9.276 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.001 6.424 -9.604 1.00 0.00 H new ATOM 363 N TYR A 26 2.713 4.452 -4.439 1.00 0.00 N ATOM 364 CA TYR A 26 4.124 4.715 -4.183 1.00 0.00 C ATOM 365 C TYR A 26 4.788 3.519 -3.509 1.00 0.00 C ATOM 366 O TYR A 26 5.827 3.034 -3.960 1.00 0.00 O ATOM 367 CB TYR A 26 4.282 5.960 -3.309 1.00 0.00 C ATOM 368 CG TYR A 26 5.713 6.243 -2.910 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.614 6.783 -3.819 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.164 5.968 -1.625 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.923 7.042 -3.459 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.470 6.225 -1.256 1.00 0.00 C ATOM 373 CZ TYR A 26 8.345 6.762 -2.176 1.00 0.00 C ATOM 374 OH TYR A 26 9.648 7.018 -1.813 1.00 0.00 O ATOM 0 H TYR A 26 2.071 4.998 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 26 4.615 4.887 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.886 6.822 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.680 5.840 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.286 7.004 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.482 5.546 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.611 7.461 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.804 6.006 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 26 9.782 6.765 -0.876 1.00 0.00 H new ATOM 384 N LEU A 27 4.181 3.047 -2.425 1.00 0.00 N ATOM 385 CA LEU A 27 4.712 1.906 -1.687 1.00 0.00 C ATOM 386 C LEU A 27 5.092 0.773 -2.634 1.00 0.00 C ATOM 387 O LEU A 27 6.198 0.239 -2.565 1.00 0.00 O ATOM 388 CB LEU A 27 3.684 1.411 -0.668 1.00 0.00 C ATOM 389 CG LEU A 27 3.228 2.431 0.376 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.921 1.990 1.018 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.304 2.629 1.434 1.00 0.00 C ATOM 0 H LEU A 27 3.321 3.437 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 27 5.610 2.231 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.806 1.058 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.104 0.551 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 27 3.059 3.384 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.612 2.728 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.151 1.900 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.062 1.025 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.962 3.358 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.505 1.680 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.217 2.991 0.961 1.00 0.00 H new ATOM 403 N GLU A 28 4.168 0.414 -3.521 1.00 0.00 N ATOM 404 CA GLU A 28 4.408 -0.654 -4.483 1.00 0.00 C ATOM 405 C GLU A 28 5.763 -0.479 -5.163 1.00 0.00 C ATOM 406 O GLU A 28 6.381 -1.452 -5.599 1.00 0.00 O ATOM 407 CB GLU A 28 3.297 -0.683 -5.535 1.00 0.00 C ATOM 408 CG GLU A 28 3.128 -2.036 -6.204 1.00 0.00 C ATOM 409 CD GLU A 28 2.887 -3.154 -5.208 1.00 0.00 C ATOM 410 OE1 GLU A 28 2.079 -2.956 -4.278 1.00 0.00 O ATOM 411 OE2 GLU A 28 3.508 -4.227 -5.360 1.00 0.00 O ATOM 0 H GLU A 28 3.247 0.847 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 28 4.411 -1.601 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.355 -0.399 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.511 0.066 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.292 -1.990 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.020 -2.262 -6.789 1.00 0.00 H new ATOM 418 N ILE A 29 6.218 0.766 -5.251 1.00 0.00 N ATOM 419 CA ILE A 29 7.499 1.069 -5.878 1.00 0.00 C ATOM 420 C ILE A 29 8.651 0.867 -4.899 1.00 0.00 C ATOM 421 O ILE A 29 9.571 0.092 -5.158 1.00 0.00 O ATOM 422 CB ILE A 29 7.538 2.514 -6.410 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.289 2.808 -7.243 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.797 2.741 -7.233 1.00 0.00 C ATOM 425 CD1 ILE A 29 6.064 4.282 -7.495 1.00 0.00 C ATOM 0 H ILE A 29 5.719 1.582 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 29 7.612 0.380 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 29 7.554 3.198 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.371 2.292 -8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.417 2.398 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.810 3.766 -7.602 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.675 2.568 -6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.809 2.051 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.161 4.416 -8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.950 4.801 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.918 4.694 -8.033 1.00 0.00 H new ATOM 437 N VAL A 30 8.592 1.570 -3.772 1.00 0.00 N ATOM 438 CA VAL A 30 9.629 1.467 -2.752 1.00 0.00 C ATOM 439 C VAL A 30 9.726 0.045 -2.210 1.00 0.00 C ATOM 440 O VAL A 30 10.699 -0.311 -1.545 1.00 0.00 O ATOM 441 CB VAL A 30 9.364 2.433 -1.583 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.764 3.736 -2.092 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.453 1.785 -0.552 1.00 0.00 C ATOM 0 H VAL A 30 7.837 2.217 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 30 10.571 1.736 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 30 10.315 2.662 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.584 4.406 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.456 4.207 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.822 3.529 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.277 2.482 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.503 1.525 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.926 0.883 -0.165 1.00 0.00 H new ATOM 453 N ASP A 31 8.712 -0.763 -2.498 1.00 0.00 N ATOM 454 CA ASP A 31 8.683 -2.147 -2.041 1.00 0.00 C ATOM 455 C ASP A 31 9.101 -3.098 -3.159 1.00 0.00 C ATOM 456 O ASP A 31 9.849 -4.050 -2.932 1.00 0.00 O ATOM 457 CB ASP A 31 7.285 -2.513 -1.540 1.00 0.00 C ATOM 458 CG ASP A 31 7.318 -3.555 -0.439 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.268 -3.532 0.371 1.00 0.00 O ATOM 460 OD2 ASP A 31 6.394 -4.393 -0.388 1.00 0.00 O ATOM 0 H ASP A 31 7.899 -0.483 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 31 9.392 -2.246 -1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.788 -1.616 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.690 -2.888 -2.373 1.00 0.00 H new ATOM 465 N LYS A 32 8.614 -2.834 -4.366 1.00 0.00 N ATOM 466 CA LYS A 32 8.936 -3.664 -5.520 1.00 0.00 C ATOM 467 C LYS A 32 9.773 -2.888 -6.532 1.00 0.00 C ATOM 468 O LYS A 32 10.787 -3.383 -7.022 1.00 0.00 O ATOM 469 CB LYS A 32 7.653 -4.170 -6.184 1.00 0.00 C ATOM 470 CG LYS A 32 6.608 -4.657 -5.196 1.00 0.00 C ATOM 471 CD LYS A 32 7.092 -5.874 -4.427 1.00 0.00 C ATOM 472 CE LYS A 32 6.488 -5.929 -3.032 1.00 0.00 C ATOM 473 NZ LYS A 32 5.120 -6.516 -3.042 1.00 0.00 N ATOM 0 H LYS A 32 7.994 -2.050 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 32 9.518 -4.517 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.225 -3.369 -6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.903 -4.983 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.366 -3.856 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.690 -4.904 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.829 -6.779 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.179 -5.850 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.132 -6.520 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.448 -4.923 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.744 -6.536 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.499 -5.938 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.161 -7.485 -3.417 1.00 0.00 H new ATOM 487 N GLY A 33 9.341 -1.669 -6.840 1.00 0.00 N ATOM 488 CA GLY A 33 10.064 -0.844 -7.791 1.00 0.00 C ATOM 489 C GLY A 33 9.153 -0.230 -8.835 1.00 0.00 C ATOM 490 O GLY A 33 9.565 0.655 -9.585 1.00 0.00 O ATOM 0 H GLY A 33 8.504 -1.238 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.585 -0.050 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.825 -1.447 -8.286 1.00 0.00 H new ATOM 494 N SER A 34 7.911 -0.701 -8.886 1.00 0.00 N ATOM 495 CA SER A 34 6.941 -0.196 -9.850 1.00 0.00 C ATOM 496 C SER A 34 5.518 -0.344 -9.318 1.00 0.00 C ATOM 497 O SER A 34 5.255 -1.162 -8.435 1.00 0.00 O ATOM 498 CB SER A 34 7.079 -0.937 -11.181 1.00 0.00 C ATOM 499 OG SER A 34 6.608 -2.269 -11.075 1.00 0.00 O ATOM 0 H SER A 34 7.553 -1.432 -8.271 1.00 0.00 H new ATOM 0 HA SER A 34 7.143 0.863 -10.009 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.519 -0.410 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.124 -0.941 -11.492 1.00 0.00 H new ATOM 0 HG SER A 34 6.706 -2.720 -11.939 1.00 0.00 H new ATOM 505 N VAL A 35 4.604 0.452 -9.862 1.00 0.00 N ATOM 506 CA VAL A 35 3.208 0.410 -9.444 1.00 0.00 C ATOM 507 C VAL A 35 2.336 -0.252 -10.505 1.00 0.00 C ATOM 508 O VAL A 35 2.490 0.006 -11.699 1.00 0.00 O ATOM 509 CB VAL A 35 2.664 1.822 -9.157 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.835 2.718 -10.375 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.204 1.756 -8.735 1.00 0.00 C ATOM 0 H VAL A 35 4.805 1.134 -10.593 1.00 0.00 H new ATOM 0 HA VAL A 35 3.171 -0.179 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 35 3.236 2.252 -8.335 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.445 3.711 -10.154 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.893 2.791 -10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.290 2.294 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.837 2.763 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.614 1.306 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.113 1.152 -7.832 1.00 0.00 H new ATOM 521 N SER A 36 1.420 -1.108 -10.062 1.00 0.00 N ATOM 522 CA SER A 36 0.526 -1.810 -10.974 1.00 0.00 C ATOM 523 C SER A 36 -0.641 -0.918 -11.386 1.00 0.00 C ATOM 524 O SER A 36 -1.043 -0.020 -10.645 1.00 0.00 O ATOM 525 CB SER A 36 -0.002 -3.089 -10.320 1.00 0.00 C ATOM 526 OG SER A 36 -0.922 -3.753 -11.169 1.00 0.00 O ATOM 0 H SER A 36 1.278 -1.332 -9.077 1.00 0.00 H new ATOM 0 HA SER A 36 1.092 -2.073 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.830 -3.754 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.486 -2.845 -9.374 1.00 0.00 H new ATOM 0 HG SER A 36 -1.244 -4.568 -10.729 1.00 0.00 H new ATOM 532 N CYS A 37 -1.180 -1.170 -12.574 1.00 0.00 N ATOM 533 CA CYS A 37 -2.300 -0.391 -13.087 1.00 0.00 C ATOM 534 C CYS A 37 -3.605 -0.803 -12.412 1.00 0.00 C ATOM 535 O CYS A 37 -4.022 -1.960 -12.467 1.00 0.00 O ATOM 536 CB CYS A 37 -2.419 -0.567 -14.602 1.00 0.00 C ATOM 537 SG CYS A 37 -3.793 0.365 -15.354 1.00 0.00 S ATOM 0 H CYS A 37 -0.859 -1.908 -13.200 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.112 0.659 -12.863 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.484 -0.254 -15.068 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.548 -1.626 -14.825 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.341 1.091 -16.333 1.00 0.00 H new ATOM 542 N PRO A 38 -4.265 0.165 -11.760 1.00 0.00 N ATOM 543 CA PRO A 38 -5.532 -0.073 -11.063 1.00 0.00 C ATOM 544 C PRO A 38 -6.683 -0.344 -12.026 1.00 0.00 C ATOM 545 O PRO A 38 -7.788 -0.692 -11.609 1.00 0.00 O ATOM 546 CB PRO A 38 -5.769 1.234 -10.302 1.00 0.00 C ATOM 547 CG PRO A 38 -5.028 2.266 -11.080 1.00 0.00 C ATOM 548 CD PRO A 38 -3.826 1.567 -11.654 1.00 0.00 C ATOM 0 HA PRO A 38 -5.485 -0.954 -10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.831 1.470 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.399 1.169 -9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.652 2.682 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.728 3.096 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.549 1.976 -12.626 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.955 1.668 -11.006 1.00 0.00 H new ATOM 556 N THR A 39 -6.417 -0.182 -13.319 1.00 0.00 N ATOM 557 CA THR A 39 -7.430 -0.408 -14.342 1.00 0.00 C ATOM 558 C THR A 39 -7.441 -1.864 -14.792 1.00 0.00 C ATOM 559 O THR A 39 -8.412 -2.587 -14.568 1.00 0.00 O ATOM 560 CB THR A 39 -7.201 0.495 -15.569 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.051 1.857 -15.153 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.360 0.382 -16.547 1.00 0.00 C ATOM 0 H THR A 39 -5.508 0.105 -13.682 1.00 0.00 H new ATOM 0 HA THR A 39 -8.392 -0.162 -13.894 1.00 0.00 H new ATOM 0 HB THR A 39 -6.291 0.167 -16.070 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.904 2.425 -15.938 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.176 1.028 -17.405 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.453 -0.651 -16.884 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.283 0.687 -16.054 1.00 0.00 H new ATOM 570 N CYS A 40 -6.354 -2.291 -15.427 1.00 0.00 N ATOM 571 CA CYS A 40 -6.238 -3.662 -15.909 1.00 0.00 C ATOM 572 C CYS A 40 -5.522 -4.539 -14.886 1.00 0.00 C ATOM 573 O CYS A 40 -5.813 -5.728 -14.762 1.00 0.00 O ATOM 574 CB CYS A 40 -5.485 -3.695 -17.240 1.00 0.00 C ATOM 575 SG CYS A 40 -3.828 -2.941 -17.176 1.00 0.00 S ATOM 0 H CYS A 40 -5.541 -1.706 -15.620 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.244 -4.054 -16.058 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.389 -4.731 -17.565 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.079 -3.178 -17.994 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.898 -1.790 -16.576 1.00 0.00 H new ATOM 580 N GLN A 41 -4.585 -3.942 -14.155 1.00 0.00 N ATOM 581 CA GLN A 41 -3.828 -4.670 -13.143 1.00 0.00 C ATOM 582 C GLN A 41 -2.984 -5.769 -13.780 1.00 0.00 C ATOM 583 O GLN A 41 -2.808 -6.842 -13.204 1.00 0.00 O ATOM 584 CB GLN A 41 -4.774 -5.274 -12.104 1.00 0.00 C ATOM 585 CG GLN A 41 -5.617 -4.240 -11.375 1.00 0.00 C ATOM 586 CD GLN A 41 -6.356 -4.823 -10.187 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.945 -5.901 -10.275 1.00 0.00 O ATOM 588 NE2 GLN A 41 -6.330 -4.112 -9.066 1.00 0.00 N ATOM 0 H GLN A 41 -4.332 -2.958 -14.245 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.160 -3.965 -12.649 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.435 -5.987 -12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.189 -5.834 -11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.975 -3.427 -11.036 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.337 -3.808 -12.070 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.830 -3.224 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.810 -4.454 -8.234 1.00 0.00 H new ATOM 597 N ALA A 42 -2.465 -5.494 -14.972 1.00 0.00 N ATOM 598 CA ALA A 42 -1.639 -6.459 -15.687 1.00 0.00 C ATOM 599 C ALA A 42 -0.185 -6.002 -15.742 1.00 0.00 C ATOM 600 O ALA A 42 0.731 -6.781 -15.478 1.00 0.00 O ATOM 601 CB ALA A 42 -2.179 -6.678 -17.092 1.00 0.00 C ATOM 0 H ALA A 42 -2.602 -4.611 -15.463 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.676 -7.404 -15.145 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.552 -7.401 -17.614 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.199 -7.057 -17.035 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.173 -5.733 -17.636 1.00 0.00 H new ATOM 607 N VAL A 43 0.020 -4.735 -16.087 1.00 0.00 N ATOM 608 CA VAL A 43 1.363 -4.174 -16.177 1.00 0.00 C ATOM 609 C VAL A 43 1.499 -2.932 -15.304 1.00 0.00 C ATOM 610 O VAL A 43 0.575 -2.126 -15.203 1.00 0.00 O ATOM 611 CB VAL A 43 1.723 -3.809 -17.629 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.779 -5.059 -18.495 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.726 -2.806 -18.189 1.00 0.00 C ATOM 0 H VAL A 43 -0.727 -4.077 -16.309 1.00 0.00 H new ATOM 0 HA VAL A 43 2.051 -4.941 -15.822 1.00 0.00 H new ATOM 0 HB VAL A 43 2.710 -3.347 -17.636 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.035 -4.782 -19.518 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.535 -5.739 -18.103 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.807 -5.552 -18.485 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.996 -2.559 -19.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.274 -3.238 -18.170 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.741 -1.900 -17.582 1.00 0.00 H new ATOM 623 N GLY A 44 2.660 -2.783 -14.673 1.00 0.00 N ATOM 624 CA GLY A 44 2.897 -1.635 -13.816 1.00 0.00 C ATOM 625 C GLY A 44 3.914 -0.675 -14.401 1.00 0.00 C ATOM 626 O GLY A 44 4.681 -1.040 -15.292 1.00 0.00 O ATOM 0 H GLY A 44 3.440 -3.436 -14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.957 -1.108 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.245 -1.978 -12.842 1.00 0.00 H new ATOM 630 N ARG A 45 3.920 0.555 -13.899 1.00 0.00 N ATOM 631 CA ARG A 45 4.848 1.572 -14.380 1.00 0.00 C ATOM 632 C ARG A 45 5.932 1.852 -13.342 1.00 0.00 C ATOM 633 O ARG A 45 5.698 1.741 -12.138 1.00 0.00 O ATOM 634 CB ARG A 45 4.098 2.863 -14.710 1.00 0.00 C ATOM 635 CG ARG A 45 3.341 2.807 -16.027 1.00 0.00 C ATOM 636 CD ARG A 45 4.277 2.969 -17.215 1.00 0.00 C ATOM 637 NE ARG A 45 4.899 1.704 -17.597 1.00 0.00 N ATOM 638 CZ ARG A 45 4.219 0.658 -18.051 1.00 0.00 C ATOM 639 NH1 ARG A 45 2.901 0.724 -18.178 1.00 0.00 N ATOM 640 NH2 ARG A 45 4.857 -0.459 -18.378 1.00 0.00 N ATOM 0 H ARG A 45 3.293 0.872 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 45 5.323 1.195 -15.286 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.395 3.081 -13.906 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.809 3.688 -14.744 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.814 1.856 -16.105 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.586 3.593 -16.048 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.721 3.370 -18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.052 3.695 -16.970 1.00 0.00 H new ATOM 0 HE ARG A 45 5.912 1.619 -17.510 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.407 1.580 -17.927 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.381 -0.081 -18.527 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.871 -0.514 -18.281 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.333 -1.262 -18.727 1.00 0.00 H new ATOM 654 N LYS A 46 7.118 2.216 -13.817 1.00 0.00 N ATOM 655 CA LYS A 46 8.238 2.513 -12.933 1.00 0.00 C ATOM 656 C LYS A 46 7.781 3.336 -11.733 1.00 0.00 C ATOM 657 O LYS A 46 8.018 2.963 -10.583 1.00 0.00 O ATOM 658 CB LYS A 46 9.331 3.266 -13.695 1.00 0.00 C ATOM 659 CG LYS A 46 10.259 2.358 -14.482 1.00 0.00 C ATOM 660 CD LYS A 46 10.898 3.091 -15.651 1.00 0.00 C ATOM 661 CE LYS A 46 12.069 2.310 -16.226 1.00 0.00 C ATOM 662 NZ LYS A 46 11.622 1.074 -16.926 1.00 0.00 N ATOM 0 H LYS A 46 7.328 2.312 -14.810 1.00 0.00 H new ATOM 0 HA LYS A 46 8.642 1.568 -12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.863 3.974 -14.379 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.921 3.848 -12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.038 1.973 -13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.701 1.498 -14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.153 3.257 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.240 4.073 -15.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.620 2.942 -16.922 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.757 2.044 -15.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.450 0.570 -17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.118 0.459 -16.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.986 1.329 -17.708 1.00 0.00 H new ATOM 676 N THR A 47 7.123 4.458 -12.007 1.00 0.00 N ATOM 677 CA THR A 47 6.632 5.334 -10.951 1.00 0.00 C ATOM 678 C THR A 47 5.213 5.808 -11.245 1.00 0.00 C ATOM 679 O THR A 47 4.671 5.546 -12.319 1.00 0.00 O ATOM 680 CB THR A 47 7.544 6.562 -10.770 1.00 0.00 C ATOM 681 OG1 THR A 47 8.022 7.009 -12.044 1.00 0.00 O ATOM 682 CG2 THR A 47 8.723 6.232 -9.868 1.00 0.00 C ATOM 0 H THR A 47 6.918 4.781 -12.952 1.00 0.00 H new ATOM 0 HA THR A 47 6.634 4.750 -10.030 1.00 0.00 H new ATOM 0 HB THR A 47 6.960 7.355 -10.303 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.600 7.791 -11.921 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.353 7.114 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.357 5.920 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.306 5.425 -10.312 1.00 0.00 H new ATOM 690 N ILE A 48 4.617 6.508 -10.285 1.00 0.00 N ATOM 691 CA ILE A 48 3.262 7.020 -10.443 1.00 0.00 C ATOM 692 C ILE A 48 3.138 7.868 -11.704 1.00 0.00 C ATOM 693 O ILE A 48 2.075 7.927 -12.322 1.00 0.00 O ATOM 694 CB ILE A 48 2.833 7.862 -9.227 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.080 7.089 -7.931 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.368 8.255 -9.345 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.644 7.835 -6.689 1.00 0.00 C ATOM 0 H ILE A 48 5.052 6.733 -9.390 1.00 0.00 H new ATOM 0 HA ILE A 48 2.605 6.154 -10.525 1.00 0.00 H new ATOM 0 HB ILE A 48 3.432 8.772 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.550 6.138 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.142 6.858 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.080 8.850 -8.478 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.220 8.841 -10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.753 7.356 -9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.849 7.227 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.193 8.774 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.575 8.042 -6.745 1.00 0.00 H new ATOM 709 N GLU A 49 4.233 8.522 -12.081 1.00 0.00 N ATOM 710 CA GLU A 49 4.246 9.366 -13.270 1.00 0.00 C ATOM 711 C GLU A 49 3.848 8.568 -14.509 1.00 0.00 C ATOM 712 O GLU A 49 2.926 8.943 -15.232 1.00 0.00 O ATOM 713 CB GLU A 49 5.633 9.981 -13.471 1.00 0.00 C ATOM 714 CG GLU A 49 5.991 11.028 -12.429 1.00 0.00 C ATOM 715 CD GLU A 49 7.322 11.697 -12.708 1.00 0.00 C ATOM 716 OE1 GLU A 49 7.450 12.346 -13.767 1.00 0.00 O ATOM 717 OE2 GLU A 49 8.237 11.571 -11.867 1.00 0.00 O ATOM 0 H GLU A 49 5.121 8.483 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 49 3.519 10.165 -13.124 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.380 9.187 -13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.680 10.435 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.208 11.785 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.023 10.560 -11.445 1.00 0.00 H new ATOM 724 N GLY A 50 4.551 7.465 -14.746 1.00 0.00 N ATOM 725 CA GLY A 50 4.257 6.632 -15.897 1.00 0.00 C ATOM 726 C GLY A 50 2.892 5.979 -15.807 1.00 0.00 C ATOM 727 O GLY A 50 2.280 5.658 -16.827 1.00 0.00 O ATOM 0 H GLY A 50 5.319 7.134 -14.162 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.308 7.237 -16.802 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.021 5.859 -15.987 1.00 0.00 H new ATOM 731 N LEU A 51 2.413 5.779 -14.584 1.00 0.00 N ATOM 732 CA LEU A 51 1.111 5.158 -14.364 1.00 0.00 C ATOM 733 C LEU A 51 -0.010 6.032 -14.917 1.00 0.00 C ATOM 734 O LEU A 51 -0.773 5.607 -15.784 1.00 0.00 O ATOM 735 CB LEU A 51 0.889 4.908 -12.871 1.00 0.00 C ATOM 736 CG LEU A 51 -0.533 4.527 -12.459 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.866 3.120 -12.930 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.698 4.639 -10.950 1.00 0.00 C ATOM 0 H LEU A 51 2.906 6.038 -13.730 1.00 0.00 H new ATOM 0 HA LEU A 51 1.097 4.205 -14.892 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.564 4.114 -12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.175 5.807 -12.326 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.227 5.221 -12.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.882 2.866 -12.628 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.788 3.072 -14.016 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.167 2.412 -12.484 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.716 4.364 -10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.005 3.968 -10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.502 5.665 -10.638 1.00 0.00 H new ATOM 750 N LYS A 52 -0.102 7.257 -14.411 1.00 0.00 N ATOM 751 CA LYS A 52 -1.127 8.194 -14.855 1.00 0.00 C ATOM 752 C LYS A 52 -1.161 8.281 -16.378 1.00 0.00 C ATOM 753 O LYS A 52 -2.222 8.461 -16.976 1.00 0.00 O ATOM 754 CB LYS A 52 -0.872 9.581 -14.260 1.00 0.00 C ATOM 755 CG LYS A 52 -1.638 9.842 -12.975 1.00 0.00 C ATOM 756 CD LYS A 52 -0.824 9.455 -11.752 1.00 0.00 C ATOM 757 CE LYS A 52 -0.041 10.639 -11.206 1.00 0.00 C ATOM 758 NZ LYS A 52 0.776 11.298 -12.262 1.00 0.00 N ATOM 0 H LYS A 52 0.522 7.624 -13.692 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.093 7.829 -14.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.195 9.693 -14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.144 10.338 -14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.904 10.897 -12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.571 9.278 -12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.488 9.069 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.136 8.651 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.732 11.364 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.611 10.303 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.371 12.034 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.381 10.590 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.147 11.731 -12.968 1.00 0.00 H new ATOM 772 N LYS A 53 0.006 8.151 -17.000 1.00 0.00 N ATOM 773 CA LYS A 53 0.110 8.212 -18.453 1.00 0.00 C ATOM 774 C LYS A 53 -0.402 6.924 -19.089 1.00 0.00 C ATOM 775 O LYS A 53 -0.855 6.924 -20.235 1.00 0.00 O ATOM 776 CB LYS A 53 1.562 8.458 -18.870 1.00 0.00 C ATOM 777 CG LYS A 53 1.763 8.501 -20.375 1.00 0.00 C ATOM 778 CD LYS A 53 1.463 9.880 -20.938 1.00 0.00 C ATOM 779 CE LYS A 53 2.624 10.837 -20.716 1.00 0.00 C ATOM 780 NZ LYS A 53 2.606 11.966 -21.687 1.00 0.00 N ATOM 0 H LYS A 53 0.894 8.003 -16.520 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.507 9.039 -18.803 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.900 9.401 -18.440 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.190 7.672 -18.450 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.790 8.225 -20.614 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.116 7.764 -20.851 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.254 9.801 -22.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.565 10.280 -20.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.581 11.231 -19.701 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.565 10.294 -20.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.413 12.595 -21.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.673 11.592 -22.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.720 12.500 -21.582 1.00 0.00 H new ATOM 794 N HIS A 54 -0.330 5.829 -18.339 1.00 0.00 N ATOM 795 CA HIS A 54 -0.789 4.535 -18.831 1.00 0.00 C ATOM 796 C HIS A 54 -2.290 4.371 -18.610 1.00 0.00 C ATOM 797 O HIS A 54 -3.028 4.029 -19.533 1.00 0.00 O ATOM 798 CB HIS A 54 -0.033 3.404 -18.133 1.00 0.00 C ATOM 799 CG HIS A 54 -0.651 2.055 -18.337 1.00 0.00 C ATOM 800 ND1 HIS A 54 -1.551 1.372 -17.593 1.00 0.00 N flip ATOM 801 CD2 HIS A 54 -0.356 1.247 -19.415 1.00 0.00 C flip ATOM 802 CE1 HIS A 54 -1.783 0.177 -18.229 1.00 0.00 C flip ATOM 803 NE2 HIS A 54 -1.049 0.127 -19.326 1.00 0.00 N flip ATOM 0 H HIS A 54 0.041 5.812 -17.389 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.590 4.489 -19.902 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.993 3.384 -18.500 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.014 3.615 -17.065 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.334 1.492 -20.208 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.456 -0.596 -17.888 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.022 -0.646 -19.991 1.00 0.00 H new ATOM 811 N MET A 55 -2.733 4.617 -17.382 1.00 0.00 N ATOM 812 CA MET A 55 -4.146 4.497 -17.041 1.00 0.00 C ATOM 813 C MET A 55 -4.974 5.542 -17.782 1.00 0.00 C ATOM 814 O MET A 55 -6.157 5.333 -18.048 1.00 0.00 O ATOM 815 CB MET A 55 -4.343 4.649 -15.532 1.00 0.00 C ATOM 816 CG MET A 55 -4.134 6.069 -15.032 1.00 0.00 C ATOM 817 SD MET A 55 -3.782 6.139 -13.265 1.00 0.00 S ATOM 818 CE MET A 55 -5.128 5.155 -12.612 1.00 0.00 C ATOM 0 H MET A 55 -2.134 4.901 -16.606 1.00 0.00 H new ATOM 0 HA MET A 55 -4.485 3.507 -17.346 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.351 4.325 -15.271 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.651 3.985 -15.015 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.310 6.526 -15.581 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.025 6.660 -15.245 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.059 5.119 -11.525 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.079 5.603 -12.900 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.067 4.143 -13.013 1.00 0.00 H new ATOM 828 N GLU A 56 -4.344 6.665 -18.112 1.00 0.00 N ATOM 829 CA GLU A 56 -5.025 7.742 -18.821 1.00 0.00 C ATOM 830 C GLU A 56 -5.649 7.231 -20.116 1.00 0.00 C ATOM 831 O GLU A 56 -6.787 7.565 -20.444 1.00 0.00 O ATOM 832 CB GLU A 56 -4.048 8.879 -19.127 1.00 0.00 C ATOM 833 CG GLU A 56 -4.029 9.967 -18.067 1.00 0.00 C ATOM 834 CD GLU A 56 -5.104 11.014 -18.287 1.00 0.00 C ATOM 835 OE1 GLU A 56 -6.271 10.628 -18.507 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.778 12.219 -18.239 1.00 0.00 O ATOM 0 H GLU A 56 -3.364 6.853 -17.900 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.821 8.119 -18.178 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.044 8.466 -19.230 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.310 9.323 -20.087 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.163 9.514 -17.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.052 10.450 -18.065 1.00 0.00 H new ATOM 958 N THR A 64 -22.796 1.051 -23.472 1.00 0.00 N ATOM 959 CA THR A 64 -23.586 0.137 -24.287 1.00 0.00 C ATOM 960 C THR A 64 -25.073 0.275 -23.985 1.00 0.00 C ATOM 961 O THR A 64 -25.494 0.179 -22.831 1.00 0.00 O ATOM 962 CB THR A 64 -23.161 -1.327 -24.062 1.00 0.00 C ATOM 963 OG1 THR A 64 -21.758 -1.474 -24.310 1.00 0.00 O ATOM 964 CG2 THR A 64 -23.943 -2.263 -24.971 1.00 0.00 C ATOM 0 HA THR A 64 -23.404 0.405 -25.328 1.00 0.00 H new ATOM 0 HB THR A 64 -23.375 -1.589 -23.026 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.291 -0.655 -24.041 1.00 0.00 H new ATOM 0 HG21 THR A 64 -23.626 -3.291 -24.794 1.00 0.00 H new ATOM 0 HG22 THR A 64 -25.008 -2.170 -24.759 1.00 0.00 H new ATOM 0 HG23 THR A 64 -23.756 -1.999 -26.012 1.00 0.00 H new ATOM 972 N CYS A 65 -25.866 0.499 -25.027 1.00 0.00 N ATOM 973 CA CYS A 65 -27.308 0.649 -24.874 1.00 0.00 C ATOM 974 C CYS A 65 -27.964 -0.690 -24.553 1.00 0.00 C ATOM 975 O CYS A 65 -27.377 -1.750 -24.774 1.00 0.00 O ATOM 976 CB CYS A 65 -27.919 1.237 -26.147 1.00 0.00 C ATOM 977 SG CYS A 65 -29.692 0.874 -26.357 1.00 0.00 S ATOM 0 H CYS A 65 -25.534 0.581 -25.988 1.00 0.00 H new ATOM 0 HA CYS A 65 -27.490 1.331 -24.043 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -27.779 2.318 -26.139 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -27.375 0.852 -27.010 1.00 0.00 H new ATOM 0 HG CYS A 65 -30.360 1.988 -26.405 1.00 0.00 H new ATOM 982 N HIS A 66 -29.185 -0.635 -24.030 1.00 0.00 N ATOM 983 CA HIS A 66 -29.922 -1.844 -23.679 1.00 0.00 C ATOM 984 C HIS A 66 -31.030 -2.118 -24.691 1.00 0.00 C ATOM 985 O HIS A 66 -31.303 -3.269 -25.033 1.00 0.00 O ATOM 986 CB HIS A 66 -30.517 -1.715 -22.276 1.00 0.00 C ATOM 987 CG HIS A 66 -29.516 -1.317 -21.236 1.00 0.00 C ATOM 988 ND1 HIS A 66 -29.308 -0.009 -20.853 1.00 0.00 N ATOM 989 CD2 HIS A 66 -28.664 -2.064 -20.495 1.00 0.00 C ATOM 990 CE1 HIS A 66 -28.371 0.032 -19.923 1.00 0.00 C ATOM 991 NE2 HIS A 66 -27.964 -1.202 -19.687 1.00 0.00 N ATOM 0 H HIS A 66 -29.685 0.234 -23.840 1.00 0.00 H new ATOM 0 HA HIS A 66 -29.225 -2.682 -23.694 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -31.320 -0.978 -22.297 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -30.966 -2.667 -21.991 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -28.555 -3.138 -20.532 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -28.001 0.923 -19.438 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -27.246 -1.471 -19.014 1.00 0.00 H new ATOM 999 N HIS A 67 -31.667 -1.052 -25.167 1.00 0.00 N ATOM 1000 CA HIS A 67 -32.746 -1.178 -26.141 1.00 0.00 C ATOM 1001 C HIS A 67 -32.304 -2.015 -27.337 1.00 0.00 C ATOM 1002 O HIS A 67 -32.801 -3.121 -27.552 1.00 0.00 O ATOM 1003 CB HIS A 67 -33.201 0.204 -26.610 1.00 0.00 C ATOM 1004 CG HIS A 67 -33.942 0.978 -25.564 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -35.237 1.420 -25.732 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -33.563 1.387 -24.331 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -35.622 2.070 -24.648 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -34.625 2.063 -23.782 1.00 0.00 N ATOM 0 H HIS A 67 -31.455 -0.092 -24.894 1.00 0.00 H new ATOM 0 HA HIS A 67 -33.582 -1.683 -25.657 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -32.329 0.777 -26.924 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -33.840 0.089 -27.486 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -32.604 1.214 -23.865 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -36.588 2.529 -24.496 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -34.641 2.490 -22.856 1.00 0.00 H new ATOM 1016 N CYS A 68 -31.366 -1.481 -28.113 1.00 0.00 N ATOM 1017 CA CYS A 68 -30.857 -2.177 -29.288 1.00 0.00 C ATOM 1018 C CYS A 68 -29.543 -2.886 -28.974 1.00 0.00 C ATOM 1019 O CYS A 68 -29.301 -4.001 -29.435 1.00 0.00 O ATOM 1020 CB CYS A 68 -30.655 -1.192 -30.442 1.00 0.00 C ATOM 1021 SG CYS A 68 -29.328 0.023 -30.158 1.00 0.00 S ATOM 0 H CYS A 68 -30.943 -0.568 -27.948 1.00 0.00 H new ATOM 0 HA CYS A 68 -31.592 -2.926 -29.583 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -30.431 -1.753 -31.349 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -31.589 -0.659 -30.619 1.00 0.00 H new ATOM 0 HG CYS A 68 -29.353 0.411 -28.918 1.00 0.00 H new ATOM 1026 N GLY A 69 -28.698 -2.231 -28.184 1.00 0.00 N ATOM 1027 CA GLY A 69 -27.419 -2.814 -27.821 1.00 0.00 C ATOM 1028 C GLY A 69 -26.273 -2.252 -28.638 1.00 0.00 C ATOM 1029 O GLY A 69 -25.389 -2.990 -29.072 1.00 0.00 O ATOM 0 H GLY A 69 -28.876 -1.308 -27.789 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -27.229 -2.635 -26.763 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -27.464 -3.894 -27.958 1.00 0.00 H new ATOM 1033 N LYS A 70 -26.287 -0.940 -28.851 1.00 0.00 N ATOM 1034 CA LYS A 70 -25.242 -0.278 -29.622 1.00 0.00 C ATOM 1035 C LYS A 70 -24.043 0.056 -28.739 1.00 0.00 C ATOM 1036 O LYS A 70 -24.186 0.252 -27.533 1.00 0.00 O ATOM 1037 CB LYS A 70 -25.786 1.000 -30.265 1.00 0.00 C ATOM 1038 CG LYS A 70 -25.126 1.341 -31.590 1.00 0.00 C ATOM 1039 CD LYS A 70 -25.554 2.712 -32.089 1.00 0.00 C ATOM 1040 CE LYS A 70 -25.349 2.848 -33.590 1.00 0.00 C ATOM 1041 NZ LYS A 70 -25.233 4.272 -34.007 1.00 0.00 N ATOM 0 H LYS A 70 -27.012 -0.314 -28.500 1.00 0.00 H new ATOM 0 HA LYS A 70 -24.915 -0.962 -30.406 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -26.859 0.890 -30.421 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.647 1.832 -29.575 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.042 1.317 -31.475 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -25.385 0.585 -32.332 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -26.604 2.877 -31.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.983 3.483 -31.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -24.448 2.309 -33.884 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -26.184 2.383 -34.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -25.094 4.322 -35.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -26.103 4.781 -33.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.421 4.709 -33.527 1.00 0.00 H new ATOM 1055 N GLN A 71 -22.864 0.119 -29.349 1.00 0.00 N ATOM 1056 CA GLN A 71 -21.642 0.430 -28.618 1.00 0.00 C ATOM 1057 C GLN A 71 -20.895 1.588 -29.272 1.00 0.00 C ATOM 1058 O GLN A 71 -20.336 1.444 -30.360 1.00 0.00 O ATOM 1059 CB GLN A 71 -20.737 -0.802 -28.548 1.00 0.00 C ATOM 1060 CG GLN A 71 -21.232 -1.867 -27.584 1.00 0.00 C ATOM 1061 CD GLN A 71 -20.155 -2.868 -27.217 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -19.308 -3.217 -28.040 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -20.180 -3.338 -25.975 1.00 0.00 N ATOM 0 H GLN A 71 -22.729 -0.041 -30.347 1.00 0.00 H new ATOM 0 HA GLN A 71 -21.920 0.727 -27.606 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -20.652 -1.237 -29.544 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -19.736 -0.491 -28.249 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -21.601 -1.388 -26.677 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -22.075 -2.394 -28.032 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -20.900 -3.022 -25.325 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.480 -4.015 -25.672 1.00 0.00 H new ATOM 1072 N LEU A 72 -20.890 2.735 -28.602 1.00 0.00 N ATOM 1073 CA LEU A 72 -20.213 3.919 -29.119 1.00 0.00 C ATOM 1074 C LEU A 72 -19.170 4.426 -28.127 1.00 0.00 C ATOM 1075 O LEU A 72 -19.229 4.115 -26.937 1.00 0.00 O ATOM 1076 CB LEU A 72 -21.228 5.023 -29.417 1.00 0.00 C ATOM 1077 CG LEU A 72 -22.212 4.741 -30.553 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -23.250 5.849 -30.648 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -21.472 4.586 -31.874 1.00 0.00 C ATOM 0 H LEU A 72 -21.347 2.870 -27.700 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.706 3.642 -30.043 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.799 5.219 -28.509 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -20.682 5.936 -29.654 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.728 3.806 -30.337 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.941 5.631 -31.462 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -23.802 5.912 -29.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.751 6.799 -30.840 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -22.188 4.386 -32.671 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -20.929 5.504 -32.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -20.768 3.757 -31.802 1.00 0.00 H new ATOM 1091 N ARG A 73 -18.219 5.209 -28.625 1.00 0.00 N ATOM 1092 CA ARG A 73 -17.164 5.759 -27.783 1.00 0.00 C ATOM 1093 C ARG A 73 -17.656 6.994 -27.033 1.00 0.00 C ATOM 1094 O ARG A 73 -17.539 7.078 -25.810 1.00 0.00 O ATOM 1095 CB ARG A 73 -15.941 6.117 -28.629 1.00 0.00 C ATOM 1096 CG ARG A 73 -14.672 6.312 -27.814 1.00 0.00 C ATOM 1097 CD ARG A 73 -13.479 6.619 -28.705 1.00 0.00 C ATOM 1098 NE ARG A 73 -13.094 5.469 -29.518 1.00 0.00 N ATOM 1099 CZ ARG A 73 -11.961 5.404 -30.209 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -11.107 6.418 -30.185 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -11.680 4.322 -30.925 1.00 0.00 N ATOM 0 H ARG A 73 -18.157 5.477 -29.607 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.883 4.999 -27.054 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.774 5.328 -29.363 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.149 7.031 -29.185 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.816 7.126 -27.104 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.471 5.413 -27.232 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.720 7.459 -29.356 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.635 6.926 -28.088 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.729 4.672 -29.558 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.319 7.251 -29.635 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.238 6.366 -30.716 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.334 3.540 -30.945 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.810 4.273 -31.455 1.00 0.00 H new ATOM 1115 N SER A 74 -18.206 7.950 -27.774 1.00 0.00 N ATOM 1116 CA SER A 74 -18.712 9.182 -27.180 1.00 0.00 C ATOM 1117 C SER A 74 -20.130 8.988 -26.651 1.00 0.00 C ATOM 1118 O SER A 74 -21.042 8.635 -27.400 1.00 0.00 O ATOM 1119 CB SER A 74 -18.690 10.315 -28.208 1.00 0.00 C ATOM 1120 OG SER A 74 -17.437 10.976 -28.212 1.00 0.00 O ATOM 0 H SER A 74 -18.313 7.895 -28.787 1.00 0.00 H new ATOM 0 HA SER A 74 -18.064 9.446 -26.344 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.896 9.914 -29.200 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.481 11.030 -27.983 1.00 0.00 H new ATOM 0 HG SER A 74 -17.448 11.694 -28.878 1.00 0.00 H new ATOM 1126 N LEU A 75 -20.308 9.220 -25.355 1.00 0.00 N ATOM 1127 CA LEU A 75 -21.614 9.071 -24.723 1.00 0.00 C ATOM 1128 C LEU A 75 -22.667 9.904 -25.447 1.00 0.00 C ATOM 1129 O LEU A 75 -23.788 9.448 -25.670 1.00 0.00 O ATOM 1130 CB LEU A 75 -21.541 9.485 -23.253 1.00 0.00 C ATOM 1131 CG LEU A 75 -22.853 9.413 -22.469 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -23.180 7.972 -22.109 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -22.774 10.274 -21.217 1.00 0.00 C ATOM 0 H LEU A 75 -19.564 9.512 -24.721 1.00 0.00 H new ATOM 0 HA LEU A 75 -21.903 8.022 -24.784 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.808 8.852 -22.754 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.166 10.507 -23.202 1.00 0.00 H new ATOM 0 HG LEU A 75 -23.654 9.799 -23.100 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -24.116 7.940 -21.552 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -23.280 7.383 -23.021 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.379 7.559 -21.496 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -23.716 10.211 -20.672 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.962 9.919 -20.582 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.587 11.310 -21.499 1.00 0.00 H new ATOM 1145 N ALA A 76 -22.298 11.127 -25.813 1.00 0.00 N ATOM 1146 CA ALA A 76 -23.209 12.023 -26.515 1.00 0.00 C ATOM 1147 C ALA A 76 -23.835 11.333 -27.722 1.00 0.00 C ATOM 1148 O ALA A 76 -25.030 11.039 -27.730 1.00 0.00 O ATOM 1149 CB ALA A 76 -22.479 13.286 -26.947 1.00 0.00 C ATOM 0 H ALA A 76 -21.374 11.520 -25.635 1.00 0.00 H new ATOM 0 HA ALA A 76 -24.011 12.297 -25.829 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -23.171 13.946 -27.470 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -22.085 13.797 -26.069 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -21.657 13.022 -27.613 1.00 0.00 H new ATOM 1155 N GLY A 77 -23.020 11.077 -28.741 1.00 0.00 N ATOM 1156 CA GLY A 77 -23.513 10.424 -29.939 1.00 0.00 C ATOM 1157 C GLY A 77 -24.464 9.285 -29.629 1.00 0.00 C ATOM 1158 O GLY A 77 -25.484 9.120 -30.297 1.00 0.00 O ATOM 0 H GLY A 77 -22.027 11.310 -28.758 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -24.021 11.157 -30.566 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -22.670 10.043 -30.514 1.00 0.00 H new ATOM 1162 N MET A 78 -24.127 8.495 -28.615 1.00 0.00 N ATOM 1163 CA MET A 78 -24.958 7.364 -28.219 1.00 0.00 C ATOM 1164 C MET A 78 -26.289 7.842 -27.645 1.00 0.00 C ATOM 1165 O MET A 78 -27.349 7.593 -28.219 1.00 0.00 O ATOM 1166 CB MET A 78 -24.226 6.501 -27.189 1.00 0.00 C ATOM 1167 CG MET A 78 -25.134 5.524 -26.459 1.00 0.00 C ATOM 1168 SD MET A 78 -24.309 4.707 -25.080 1.00 0.00 S ATOM 1169 CE MET A 78 -23.478 3.366 -25.929 1.00 0.00 C ATOM 0 H MET A 78 -23.285 8.617 -28.053 1.00 0.00 H new ATOM 0 HA MET A 78 -25.159 6.765 -29.107 1.00 0.00 H new ATOM 0 HB2 MET A 78 -23.435 5.944 -27.691 1.00 0.00 H new ATOM 0 HB3 MET A 78 -23.744 7.151 -26.459 1.00 0.00 H new ATOM 0 HG2 MET A 78 -26.011 6.056 -26.089 1.00 0.00 H new ATOM 0 HG3 MET A 78 -25.491 4.771 -27.162 1.00 0.00 H new ATOM 0 HE1 MET A 78 -22.590 3.075 -25.368 1.00 0.00 H new ATOM 0 HE2 MET A 78 -24.152 2.513 -26.010 1.00 0.00 H new ATOM 0 HE3 MET A 78 -23.185 3.693 -26.927 1.00 0.00 H new ATOM 1179 N LYS A 79 -26.225 8.529 -26.510 1.00 0.00 N ATOM 1180 CA LYS A 79 -27.424 9.043 -25.858 1.00 0.00 C ATOM 1181 C LYS A 79 -28.416 9.576 -26.887 1.00 0.00 C ATOM 1182 O LYS A 79 -29.627 9.553 -26.666 1.00 0.00 O ATOM 1183 CB LYS A 79 -27.056 10.150 -24.868 1.00 0.00 C ATOM 1184 CG LYS A 79 -26.820 9.647 -23.454 1.00 0.00 C ATOM 1185 CD LYS A 79 -27.008 10.753 -22.430 1.00 0.00 C ATOM 1186 CE LYS A 79 -27.534 10.208 -21.111 1.00 0.00 C ATOM 1187 NZ LYS A 79 -26.543 9.320 -20.443 1.00 0.00 N ATOM 0 H LYS A 79 -25.355 8.743 -26.022 1.00 0.00 H new ATOM 0 HA LYS A 79 -27.894 8.222 -25.317 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -26.157 10.656 -25.219 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -27.854 10.892 -24.852 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -27.508 8.829 -23.238 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -25.810 9.244 -23.374 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -26.058 11.260 -22.262 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -27.702 11.497 -22.820 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -27.783 11.037 -20.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -28.456 9.654 -21.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -26.918 8.351 -20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -25.654 9.324 -20.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -26.363 9.664 -19.478 1.00 0.00 H new ATOM 1201 N TYR A 80 -27.896 10.054 -28.011 1.00 0.00 N ATOM 1202 CA TYR A 80 -28.736 10.594 -29.074 1.00 0.00 C ATOM 1203 C TYR A 80 -29.366 9.472 -29.893 1.00 0.00 C ATOM 1204 O TYR A 80 -30.527 9.557 -30.296 1.00 0.00 O ATOM 1205 CB TYR A 80 -27.917 11.509 -29.986 1.00 0.00 C ATOM 1206 CG TYR A 80 -28.721 12.119 -31.112 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -29.819 12.928 -30.848 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -28.384 11.885 -32.439 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -30.557 13.487 -31.873 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -29.115 12.441 -33.471 1.00 0.00 C ATOM 1211 CZ TYR A 80 -30.201 13.241 -33.183 1.00 0.00 C ATOM 1212 OH TYR A 80 -30.933 13.795 -34.208 1.00 0.00 O ATOM 0 H TYR A 80 -26.896 10.079 -28.210 1.00 0.00 H new ATOM 0 HA TYR A 80 -29.534 11.174 -28.612 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -27.481 12.309 -29.387 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -27.089 10.940 -30.409 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -30.100 13.123 -29.824 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -27.536 11.257 -32.668 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -31.408 14.113 -31.650 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -28.838 12.250 -34.497 1.00 0.00 H new ATOM 0 HH TYR A 80 -30.549 13.524 -35.068 1.00 0.00 H new ATOM 1222 N HIS A 81 -28.592 8.419 -30.136 1.00 0.00 N ATOM 1223 CA HIS A 81 -29.073 7.278 -30.907 1.00 0.00 C ATOM 1224 C HIS A 81 -30.344 6.703 -30.290 1.00 0.00 C ATOM 1225 O HIS A 81 -31.177 6.123 -30.987 1.00 0.00 O ATOM 1226 CB HIS A 81 -27.995 6.196 -30.982 1.00 0.00 C ATOM 1227 CG HIS A 81 -28.110 5.159 -29.908 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -27.059 4.805 -29.088 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -29.161 4.400 -29.519 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -27.458 3.871 -28.243 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -28.730 3.608 -28.483 1.00 0.00 N ATOM 0 H HIS A 81 -27.629 8.332 -29.810 1.00 0.00 H new ATOM 0 HA HIS A 81 -29.303 7.623 -31.915 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -28.050 5.707 -31.955 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -27.014 6.667 -30.917 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -30.154 4.414 -29.944 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -26.848 3.402 -27.485 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -29.300 2.927 -27.981 1.00 0.00 H new ATOM 1239 N VAL A 82 -30.487 6.867 -28.979 1.00 0.00 N ATOM 1240 CA VAL A 82 -31.657 6.365 -28.268 1.00 0.00 C ATOM 1241 C VAL A 82 -32.836 7.321 -28.408 1.00 0.00 C ATOM 1242 O VAL A 82 -33.935 6.915 -28.785 1.00 0.00 O ATOM 1243 CB VAL A 82 -31.357 6.153 -26.772 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -32.626 5.781 -26.020 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -30.287 5.086 -26.590 1.00 0.00 C ATOM 0 H VAL A 82 -29.807 7.344 -28.387 1.00 0.00 H new ATOM 0 HA VAL A 82 -31.914 5.406 -28.718 1.00 0.00 H new ATOM 0 HB VAL A 82 -30.980 7.088 -26.358 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -32.394 5.635 -24.965 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -33.358 6.582 -26.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.036 4.859 -26.432 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -30.087 4.949 -25.527 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -30.634 4.146 -27.018 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -29.372 5.398 -27.094 1.00 0.00 H new ATOM 1255 N MET A 83 -32.601 8.592 -28.101 1.00 0.00 N ATOM 1256 CA MET A 83 -33.644 9.606 -28.194 1.00 0.00 C ATOM 1257 C MET A 83 -34.073 9.814 -29.643 1.00 0.00 C ATOM 1258 O MET A 83 -35.058 10.499 -29.917 1.00 0.00 O ATOM 1259 CB MET A 83 -33.154 10.929 -27.601 1.00 0.00 C ATOM 1260 CG MET A 83 -32.464 10.773 -26.256 1.00 0.00 C ATOM 1261 SD MET A 83 -31.108 11.941 -26.031 1.00 0.00 S ATOM 1262 CE MET A 83 -31.996 13.496 -26.038 1.00 0.00 C ATOM 0 H MET A 83 -31.697 8.944 -27.786 1.00 0.00 H new ATOM 0 HA MET A 83 -34.506 9.257 -27.625 1.00 0.00 H new ATOM 0 HB2 MET A 83 -32.464 11.398 -28.302 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.003 11.604 -27.489 1.00 0.00 H new ATOM 0 HG2 MET A 83 -33.194 10.912 -25.459 1.00 0.00 H new ATOM 0 HG3 MET A 83 -32.082 9.756 -26.164 1.00 0.00 H new ATOM 0 HE1 MET A 83 -31.305 14.310 -25.820 1.00 0.00 H new ATOM 0 HE2 MET A 83 -32.445 13.654 -27.018 1.00 0.00 H new ATOM 0 HE3 MET A 83 -32.779 13.471 -25.280 1.00 0.00 H new ATOM 1272 N ALA A 84 -33.328 9.217 -30.567 1.00 0.00 N ATOM 1273 CA ALA A 84 -33.633 9.335 -31.988 1.00 0.00 C ATOM 1274 C ALA A 84 -34.409 8.121 -32.485 1.00 0.00 C ATOM 1275 O ALA A 84 -35.567 8.234 -32.887 1.00 0.00 O ATOM 1276 CB ALA A 84 -32.351 9.509 -32.790 1.00 0.00 C ATOM 0 H ALA A 84 -32.509 8.647 -30.357 1.00 0.00 H new ATOM 0 HA ALA A 84 -34.259 10.216 -32.128 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -32.593 9.596 -33.849 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -31.835 10.411 -32.461 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -31.705 8.645 -32.635 1.00 0.00 H new ATOM 1282 N ASN A 85 -33.765 6.959 -32.457 1.00 0.00 N ATOM 1283 CA ASN A 85 -34.395 5.723 -32.906 1.00 0.00 C ATOM 1284 C ASN A 85 -35.419 5.232 -31.886 1.00 0.00 C ATOM 1285 O ASN A 85 -36.553 4.906 -32.237 1.00 0.00 O ATOM 1286 CB ASN A 85 -33.338 4.643 -33.144 1.00 0.00 C ATOM 1287 CG ASN A 85 -32.395 4.997 -34.278 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -32.596 4.581 -35.419 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -31.360 5.769 -33.968 1.00 0.00 N ATOM 0 H ASN A 85 -32.806 6.847 -32.128 1.00 0.00 H new ATOM 0 HA ASN A 85 -34.912 5.929 -33.844 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -32.763 4.494 -32.230 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -33.832 3.698 -33.368 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -30.692 6.040 -34.689 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -31.233 6.091 -33.008 1.00 0.00 H new ATOM 1296 N HIS A 86 -35.010 5.184 -30.622 1.00 0.00 N ATOM 1297 CA HIS A 86 -35.891 4.734 -29.551 1.00 0.00 C ATOM 1298 C HIS A 86 -36.726 5.892 -29.012 1.00 0.00 C ATOM 1299 O HIS A 86 -37.031 5.949 -27.822 1.00 0.00 O ATOM 1300 CB HIS A 86 -35.075 4.109 -28.419 1.00 0.00 C ATOM 1301 CG HIS A 86 -34.045 3.131 -28.893 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -34.266 2.247 -29.928 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -32.780 2.903 -28.469 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -33.183 1.516 -30.118 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -32.266 1.894 -29.246 1.00 0.00 N ATOM 0 H HIS A 86 -34.075 5.451 -30.315 1.00 0.00 H new ATOM 0 HA HIS A 86 -36.565 3.982 -29.961 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -34.580 4.902 -27.858 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -35.752 3.605 -27.729 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -32.270 3.419 -27.669 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -33.067 0.740 -30.861 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -31.329 1.501 -29.163 1.00 0.00 H new