USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 770 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 33 CYS SG : rot 167:sc= 0.0805 USER MOD Set 1.2: A 59 CYS SG : rot -79:sc= -1.43 USER MOD Set 1.3: A 101 HIS : no HE2:sc= -1.4 K(o=-8.5,f=-14!) USER MOD Set 1.4: A 102 CYS SG : rot 44:sc= -5.76! USER MOD Set 2.1: A 56 THR OG1 : rot 145:sc= -0.079 USER MOD Set 2.2: A 66 SER OG : rot -87:sc= -0.0562 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.467 F(o=-1.3,f=-0.47) USER MOD Single : A 37 MET CE :methyl 156:sc= -4.67! (180deg=-7.38!) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= -1.4 (180deg=-2.12!) USER MOD Single : A 42 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.0387 (180deg=-2.03!) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0156 (180deg=-0.2) USER MOD Single : A 61 SER OG : rot -97:sc= -0.969 USER MOD Single : A 65 SER OG : rot 112:sc= -2.03! USER MOD Single : A 67 SER OG : rot -55:sc= 0.909 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.924 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 83 THR OG1 : rot -63:sc= 1.26 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.691 K(o=0.69,f=-4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.028 (180deg=-0.39) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.012 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -69:sc= 0.607 USER MOD Single : A 104 MET CE :methyl 151:sc= -0.022 (180deg=-0.43) USER MOD Single : A 111 LYS NZ :NH3+ 175:sc= -2.82! (180deg=-2.9!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.396) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.185 -13.184 -2.283 1.00 0.00 N ATOM 282 CA ASN A 22 -9.700 -12.205 -1.333 1.00 0.00 C ATOM 283 C ASN A 22 -8.639 -11.160 -1.000 1.00 0.00 C ATOM 284 O ASN A 22 -8.955 -10.071 -0.521 1.00 0.00 O ATOM 285 CB ASN A 22 -10.165 -12.902 -0.052 1.00 0.00 C ATOM 286 CG ASN A 22 -9.171 -13.939 0.435 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.111 -13.480 1.089 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -9.356 -15.138 0.226 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.550 -11.701 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.320 -12.157 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.128 -13.381 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.186 -15.445 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.680 -15.824 0.560 1.00 0.00 H new ATOM 295 N VAL A 23 -7.380 -11.500 -1.258 1.00 0.00 N ATOM 296 CA VAL A 23 -6.273 -10.591 -0.988 1.00 0.00 C ATOM 297 C VAL A 23 -5.532 -10.230 -2.271 1.00 0.00 C ATOM 298 O VAL A 23 -4.954 -11.093 -2.930 1.00 0.00 O ATOM 299 CB VAL A 23 -5.275 -11.203 0.013 1.00 0.00 C ATOM 300 CG1 VAL A 23 -5.136 -12.700 -0.220 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.924 -10.512 -0.091 1.00 0.00 C ATOM 0 H VAL A 23 -7.102 -12.398 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.704 -9.688 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.659 -11.050 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.427 -13.115 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.106 -13.180 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.775 -12.879 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.232 -10.957 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.531 -10.632 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.040 -9.451 0.129 1.00 0.00 H new ATOM 311 N GLY A 24 -5.554 -8.947 -2.619 1.00 0.00 N ATOM 312 CA GLY A 24 -4.880 -8.494 -3.822 1.00 0.00 C ATOM 313 C GLY A 24 -3.407 -8.219 -3.594 1.00 0.00 C ATOM 314 O GLY A 24 -2.940 -8.201 -2.455 1.00 0.00 O ATOM 0 H GLY A 24 -6.026 -8.214 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.989 -9.248 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.363 -7.587 -4.186 1.00 0.00 H new ATOM 318 N THR A 25 -2.671 -8.006 -4.680 1.00 0.00 N ATOM 319 CA THR A 25 -1.242 -7.734 -4.594 1.00 0.00 C ATOM 320 C THR A 25 -0.845 -6.583 -5.512 1.00 0.00 C ATOM 321 O THR A 25 -0.870 -6.715 -6.735 1.00 0.00 O ATOM 322 CB THR A 25 -0.410 -8.978 -4.958 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.891 -10.117 -4.237 1.00 0.00 O ATOM 324 CG2 THR A 25 1.061 -8.756 -4.643 1.00 0.00 C ATOM 0 H THR A 25 -3.042 -8.017 -5.630 1.00 0.00 H new ATOM 0 HA THR A 25 -1.034 -7.458 -3.560 1.00 0.00 H new ATOM 0 HB THR A 25 -0.513 -9.156 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.358 -10.904 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.629 -9.648 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.432 -7.906 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.179 -8.555 -3.578 1.00 0.00 H new ATOM 332 N GLY A 26 -0.476 -5.455 -4.914 1.00 0.00 N ATOM 333 CA GLY A 26 -0.078 -4.297 -5.694 1.00 0.00 C ATOM 334 C GLY A 26 1.375 -3.924 -5.477 1.00 0.00 C ATOM 335 O GLY A 26 1.745 -3.430 -4.411 1.00 0.00 O ATOM 0 H GLY A 26 -0.445 -5.322 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.244 -4.501 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.711 -3.450 -5.430 1.00 0.00 H new ATOM 339 N LEU A 27 2.203 -4.162 -6.489 1.00 0.00 N ATOM 340 CA LEU A 27 3.625 -3.849 -6.404 1.00 0.00 C ATOM 341 C LEU A 27 3.985 -2.693 -7.332 1.00 0.00 C ATOM 342 O LEU A 27 3.738 -2.751 -8.536 1.00 0.00 O ATOM 343 CB LEU A 27 4.460 -5.081 -6.758 1.00 0.00 C ATOM 344 CG LEU A 27 5.945 -4.831 -7.024 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.584 -4.108 -5.848 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.665 -6.143 -7.300 1.00 0.00 C ATOM 0 H LEU A 27 1.914 -4.571 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 27 3.845 -3.550 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.373 -5.800 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.026 -5.547 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 27 6.035 -4.197 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.641 -3.939 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.086 -3.150 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.484 -4.716 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.721 -5.946 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.566 -6.801 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.225 -6.623 -8.174 1.00 0.00 H new ATOM 358 N VAL A 28 4.571 -1.645 -6.762 1.00 0.00 N ATOM 359 CA VAL A 28 4.968 -0.476 -7.539 1.00 0.00 C ATOM 360 C VAL A 28 6.317 0.060 -7.073 1.00 0.00 C ATOM 361 O VAL A 28 6.470 0.471 -5.924 1.00 0.00 O ATOM 362 CB VAL A 28 3.918 0.647 -7.439 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.675 0.289 -8.238 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.567 0.920 -5.984 1.00 0.00 C ATOM 0 H VAL A 28 4.781 -1.581 -5.766 1.00 0.00 H new ATOM 0 HA VAL A 28 5.047 -0.797 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 28 4.343 1.557 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.945 1.094 -8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.943 0.149 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.244 -0.633 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.824 1.716 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.161 0.015 -5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.464 1.225 -5.444 1.00 0.00 H new ATOM 374 N GLY A 29 7.293 0.054 -7.975 1.00 0.00 N ATOM 375 CA GLY A 29 8.617 0.543 -7.638 1.00 0.00 C ATOM 376 C GLY A 29 8.989 1.791 -8.414 1.00 0.00 C ATOM 377 O GLY A 29 8.268 2.205 -9.321 1.00 0.00 O ATOM 0 H GLY A 29 7.191 -0.281 -8.933 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.661 0.756 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.351 -0.238 -7.838 1.00 0.00 H new ATOM 381 N ALA A 30 10.118 2.394 -8.056 1.00 0.00 N ATOM 382 CA ALA A 30 10.585 3.602 -8.725 1.00 0.00 C ATOM 383 C ALA A 30 11.676 3.281 -9.741 1.00 0.00 C ATOM 384 O ALA A 30 12.633 2.561 -9.454 1.00 0.00 O ATOM 385 CB ALA A 30 11.092 4.609 -7.704 1.00 0.00 C ATOM 0 H ALA A 30 10.726 2.065 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 30 9.742 4.038 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.437 5.506 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.285 4.871 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.917 4.173 -7.141 1.00 0.00 H new ATOM 391 N PRO A 31 11.531 3.824 -10.959 1.00 0.00 N ATOM 392 CA PRO A 31 12.495 3.609 -12.042 1.00 0.00 C ATOM 393 C PRO A 31 13.825 4.307 -11.781 1.00 0.00 C ATOM 394 O PRO A 31 14.891 3.729 -11.991 1.00 0.00 O ATOM 395 CB PRO A 31 11.800 4.220 -13.261 1.00 0.00 C ATOM 396 CG PRO A 31 10.869 5.237 -12.697 1.00 0.00 C ATOM 397 CD PRO A 31 10.415 4.692 -11.371 1.00 0.00 C ATOM 0 HA PRO A 31 12.746 2.555 -12.161 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.520 4.676 -13.940 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.261 3.463 -13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.369 6.198 -12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.021 5.402 -13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.238 5.489 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.484 4.133 -11.464 1.00 0.00 H new ATOM 405 N ALA A 32 13.755 5.552 -11.322 1.00 0.00 N ATOM 406 CA ALA A 32 14.955 6.327 -11.031 1.00 0.00 C ATOM 407 C ALA A 32 15.613 5.855 -9.739 1.00 0.00 C ATOM 408 O ALA A 32 16.706 5.287 -9.759 1.00 0.00 O ATOM 409 CB ALA A 32 14.617 7.808 -10.942 1.00 0.00 C ATOM 0 H ALA A 32 12.880 6.046 -11.144 1.00 0.00 H new ATOM 0 HA ALA A 32 15.663 6.175 -11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.522 8.375 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.198 8.143 -11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.889 7.968 -10.147 1.00 0.00 H new ATOM 415 N CYS A 33 14.943 6.093 -8.617 1.00 0.00 N ATOM 416 CA CYS A 33 15.463 5.693 -7.315 1.00 0.00 C ATOM 417 C CYS A 33 15.712 4.188 -7.268 1.00 0.00 C ATOM 418 O CYS A 33 16.566 3.713 -6.521 1.00 0.00 O ATOM 419 CB CYS A 33 14.487 6.094 -6.207 1.00 0.00 C ATOM 420 SG CYS A 33 15.274 6.375 -4.589 1.00 0.00 S ATOM 0 H CYS A 33 14.038 6.561 -8.583 1.00 0.00 H new ATOM 0 HA CYS A 33 16.412 6.206 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 33 13.966 7.003 -6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.733 5.314 -6.102 1.00 0.00 H new ATOM 0 HG CYS A 33 14.431 6.962 -3.793 1.00 0.00 H new ATOM 425 N GLY A 34 14.960 3.443 -8.073 1.00 0.00 N ATOM 426 CA GLY A 34 15.115 2.001 -8.108 1.00 0.00 C ATOM 427 C GLY A 34 14.626 1.334 -6.838 1.00 0.00 C ATOM 428 O GLY A 34 15.367 0.592 -6.194 1.00 0.00 O ATOM 0 H GLY A 34 14.247 3.813 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.566 1.600 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.166 1.755 -8.262 1.00 0.00 H new ATOM 432 N ASP A 35 13.376 1.600 -6.475 1.00 0.00 N ATOM 433 CA ASP A 35 12.789 1.021 -5.273 1.00 0.00 C ATOM 434 C ASP A 35 11.725 -0.012 -5.631 1.00 0.00 C ATOM 435 O ASP A 35 11.236 -0.050 -6.760 1.00 0.00 O ATOM 436 CB ASP A 35 12.179 2.117 -4.398 1.00 0.00 C ATOM 437 CG ASP A 35 13.188 3.185 -4.021 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.400 2.947 -4.203 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.764 4.259 -3.545 1.00 0.00 O ATOM 0 H ASP A 35 12.750 2.213 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 35 13.582 0.522 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.346 2.579 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.772 1.670 -3.491 1.00 0.00 H new ATOM 444 N VAL A 36 11.370 -0.849 -4.661 1.00 0.00 N ATOM 445 CA VAL A 36 10.364 -1.883 -4.874 1.00 0.00 C ATOM 446 C VAL A 36 9.369 -1.927 -3.719 1.00 0.00 C ATOM 447 O VAL A 36 9.625 -2.550 -2.690 1.00 0.00 O ATOM 448 CB VAL A 36 11.010 -3.272 -5.033 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.944 -4.338 -5.228 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.994 -3.271 -6.194 1.00 0.00 C ATOM 0 H VAL A 36 11.764 -0.831 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 36 9.838 -1.628 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 36 11.559 -3.505 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.420 -5.312 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.282 -4.353 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.365 -4.114 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.442 -4.260 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.470 -3.017 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.777 -2.536 -6.007 1.00 0.00 H new ATOM 460 N MET A 37 8.232 -1.262 -3.899 1.00 0.00 N ATOM 461 CA MET A 37 7.197 -1.227 -2.873 1.00 0.00 C ATOM 462 C MET A 37 6.089 -2.228 -3.183 1.00 0.00 C ATOM 463 O MET A 37 5.250 -1.992 -4.051 1.00 0.00 O ATOM 464 CB MET A 37 6.610 0.181 -2.758 1.00 0.00 C ATOM 465 CG MET A 37 5.866 0.425 -1.455 1.00 0.00 C ATOM 466 SD MET A 37 5.255 2.116 -1.310 1.00 0.00 S ATOM 467 CE MET A 37 3.751 1.853 -0.373 1.00 0.00 C ATOM 0 H MET A 37 8.005 -0.740 -4.746 1.00 0.00 H new ATOM 0 HA MET A 37 7.654 -1.501 -1.922 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.415 0.910 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.930 0.351 -3.593 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.027 -0.268 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.529 0.209 -0.617 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.487 2.769 0.156 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.943 1.580 -1.051 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.907 1.050 0.347 1.00 0.00 H new ATOM 477 N LYS A 38 6.093 -3.348 -2.468 1.00 0.00 N ATOM 478 CA LYS A 38 5.089 -4.386 -2.665 1.00 0.00 C ATOM 479 C LYS A 38 4.026 -4.330 -1.572 1.00 0.00 C ATOM 480 O LYS A 38 4.299 -4.636 -0.411 1.00 0.00 O ATOM 481 CB LYS A 38 5.748 -5.767 -2.679 1.00 0.00 C ATOM 482 CG LYS A 38 4.769 -6.907 -2.900 1.00 0.00 C ATOM 483 CD LYS A 38 5.434 -8.090 -3.584 1.00 0.00 C ATOM 484 CE LYS A 38 4.438 -8.889 -4.409 1.00 0.00 C ATOM 485 NZ LYS A 38 4.357 -8.396 -5.812 1.00 0.00 N ATOM 0 H LYS A 38 6.782 -3.560 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 38 4.606 -4.211 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.504 -5.791 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.266 -5.923 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.357 -7.224 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.934 -6.558 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.239 -7.734 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.888 -8.737 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.727 -9.940 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.453 -8.830 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.114 -9.185 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.625 -7.660 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.276 -7.998 -6.094 1.00 0.00 H new ATOM 499 N LEU A 39 2.814 -3.940 -1.952 1.00 0.00 N ATOM 500 CA LEU A 39 1.709 -3.845 -1.004 1.00 0.00 C ATOM 501 C LEU A 39 0.743 -5.013 -1.175 1.00 0.00 C ATOM 502 O LEU A 39 0.608 -5.563 -2.268 1.00 0.00 O ATOM 503 CB LEU A 39 0.965 -2.521 -1.189 1.00 0.00 C ATOM 504 CG LEU A 39 0.232 -1.986 0.042 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.212 -1.331 1.003 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.853 -1.002 -0.369 1.00 0.00 C ATOM 0 H LEU A 39 2.572 -3.685 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 39 2.123 -3.884 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.681 -1.767 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.240 -2.644 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.241 -2.825 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.673 -0.956 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.953 -2.064 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.714 -0.503 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.364 -0.632 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.402 -0.166 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.571 -1.503 -1.018 1.00 0.00 H new ATOM 518 N GLN A 40 0.073 -5.384 -0.089 1.00 0.00 N ATOM 519 CA GLN A 40 -0.881 -6.486 -0.121 1.00 0.00 C ATOM 520 C GLN A 40 -1.947 -6.314 0.957 1.00 0.00 C ATOM 521 O GLN A 40 -1.634 -6.225 2.144 1.00 0.00 O ATOM 522 CB GLN A 40 -0.158 -7.821 0.069 1.00 0.00 C ATOM 523 CG GLN A 40 0.301 -8.454 -1.234 1.00 0.00 C ATOM 524 CD GLN A 40 0.884 -9.840 -1.035 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.052 -9.989 -0.675 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.071 -10.863 -1.270 1.00 0.00 N ATOM 0 H GLN A 40 0.173 -4.938 0.823 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.370 -6.482 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.707 -7.668 0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.822 -8.514 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.543 -8.514 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.048 -7.813 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.890 -10.693 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.407 -11.819 -1.154 1.00 0.00 H new ATOM 535 N ILE A 41 -3.206 -6.267 0.534 1.00 0.00 N ATOM 536 CA ILE A 41 -4.318 -6.105 1.463 1.00 0.00 C ATOM 537 C ILE A 41 -5.296 -7.270 1.357 1.00 0.00 C ATOM 538 O ILE A 41 -5.623 -7.720 0.259 1.00 0.00 O ATOM 539 CB ILE A 41 -5.075 -4.788 1.212 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.705 -4.796 -0.183 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.139 -3.600 1.369 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.111 -5.355 -0.208 1.00 0.00 C ATOM 0 H ILE A 41 -3.481 -6.339 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.891 -6.082 2.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.871 -4.697 1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.721 -3.778 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.077 -5.383 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.689 -2.677 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.733 -3.588 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.323 -3.682 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.494 -5.330 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.100 -6.384 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.753 -4.754 0.436 1.00 0.00 H new ATOM 554 N GLN A 42 -5.761 -7.752 2.505 1.00 0.00 N ATOM 555 CA GLN A 42 -6.703 -8.864 2.541 1.00 0.00 C ATOM 556 C GLN A 42 -8.135 -8.360 2.693 1.00 0.00 C ATOM 557 O GLN A 42 -8.512 -7.838 3.742 1.00 0.00 O ATOM 558 CB GLN A 42 -6.360 -9.814 3.689 1.00 0.00 C ATOM 559 CG GLN A 42 -6.986 -11.192 3.545 1.00 0.00 C ATOM 560 CD GLN A 42 -6.762 -12.065 4.765 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.700 -12.383 5.496 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.514 -12.457 4.991 1.00 0.00 N ATOM 0 H GLN A 42 -5.501 -7.390 3.422 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.625 -9.403 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.277 -9.921 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.690 -9.370 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.057 -11.084 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.569 -11.686 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.767 -12.170 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.302 -13.045 5.797 1.00 0.00 H new ATOM 571 N VAL A 43 -8.928 -8.518 1.639 1.00 0.00 N ATOM 572 CA VAL A 43 -10.319 -8.080 1.655 1.00 0.00 C ATOM 573 C VAL A 43 -11.243 -9.200 2.120 1.00 0.00 C ATOM 574 O VAL A 43 -11.090 -10.353 1.716 1.00 0.00 O ATOM 575 CB VAL A 43 -10.772 -7.599 0.264 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.237 -7.190 0.292 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.898 -6.450 -0.213 1.00 0.00 C ATOM 0 H VAL A 43 -8.631 -8.946 0.762 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.381 -7.248 2.356 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.663 -8.424 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.540 -6.853 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.847 -8.043 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.375 -6.380 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.232 -6.123 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.972 -5.620 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.862 -6.782 -0.274 1.00 0.00 H new ATOM 587 N ASP A 44 -12.202 -8.853 2.971 1.00 0.00 N ATOM 588 CA ASP A 44 -13.153 -9.829 3.491 1.00 0.00 C ATOM 589 C ASP A 44 -14.448 -9.807 2.686 1.00 0.00 C ATOM 590 O ASP A 44 -14.559 -9.093 1.690 1.00 0.00 O ATOM 591 CB ASP A 44 -13.449 -9.549 4.965 1.00 0.00 C ATOM 592 CG ASP A 44 -14.617 -8.602 5.151 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.568 -7.483 4.598 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.582 -8.979 5.849 1.00 0.00 O ATOM 0 H ASP A 44 -12.342 -7.903 3.316 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.707 -10.819 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.662 -10.489 5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.562 -9.125 5.436 1.00 0.00 H new ATOM 599 N GLU A 45 -15.425 -10.595 3.124 1.00 0.00 N ATOM 600 CA GLU A 45 -16.712 -10.667 2.443 1.00 0.00 C ATOM 601 C GLU A 45 -17.374 -9.293 2.384 1.00 0.00 C ATOM 602 O GLU A 45 -17.972 -8.922 1.374 1.00 0.00 O ATOM 603 CB GLU A 45 -17.635 -11.660 3.152 1.00 0.00 C ATOM 604 CG GLU A 45 -18.162 -11.156 4.485 1.00 0.00 C ATOM 605 CD GLU A 45 -19.445 -10.361 4.343 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.714 -9.862 3.231 1.00 0.00 O ATOM 607 OE2 GLU A 45 -20.181 -10.239 5.345 1.00 0.00 O ATOM 0 H GLU A 45 -15.349 -11.192 3.947 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.536 -11.010 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.478 -11.888 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.095 -12.593 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.336 -12.005 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.404 -10.533 4.959 1.00 0.00 H new ATOM 614 N LYS A 46 -17.262 -8.542 3.474 1.00 0.00 N ATOM 615 CA LYS A 46 -17.848 -7.209 3.548 1.00 0.00 C ATOM 616 C LYS A 46 -17.114 -6.240 2.627 1.00 0.00 C ATOM 617 O LYS A 46 -17.669 -5.225 2.207 1.00 0.00 O ATOM 618 CB LYS A 46 -17.806 -6.691 4.988 1.00 0.00 C ATOM 619 CG LYS A 46 -18.401 -7.655 5.999 1.00 0.00 C ATOM 620 CD LYS A 46 -18.946 -6.923 7.214 1.00 0.00 C ATOM 621 CE LYS A 46 -19.684 -7.869 8.149 1.00 0.00 C ATOM 622 NZ LYS A 46 -18.767 -8.494 9.142 1.00 0.00 N ATOM 0 H LYS A 46 -16.771 -8.834 4.319 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.886 -7.277 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.771 -6.485 5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.344 -5.745 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.200 -8.228 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.640 -8.369 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.126 -6.445 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.620 -6.130 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.469 -7.323 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.173 -8.649 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.308 -9.132 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.033 -9.036 8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.319 -7.752 9.717 1.00 0.00 H new ATOM 636 N GLY A 47 -15.862 -6.560 2.314 1.00 0.00 N ATOM 637 CA GLY A 47 -15.073 -5.709 1.443 1.00 0.00 C ATOM 638 C GLY A 47 -14.195 -4.744 2.215 1.00 0.00 C ATOM 639 O GLY A 47 -13.700 -3.763 1.661 1.00 0.00 O ATOM 0 H GLY A 47 -15.380 -7.394 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.448 -6.331 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.739 -5.146 0.790 1.00 0.00 H new ATOM 643 N LYS A 48 -14.000 -5.023 3.500 1.00 0.00 N ATOM 644 CA LYS A 48 -13.176 -4.173 4.351 1.00 0.00 C ATOM 645 C LYS A 48 -11.789 -4.778 4.544 1.00 0.00 C ATOM 646 O LYS A 48 -11.655 -5.973 4.812 1.00 0.00 O ATOM 647 CB LYS A 48 -13.850 -3.970 5.710 1.00 0.00 C ATOM 648 CG LYS A 48 -13.237 -2.850 6.532 1.00 0.00 C ATOM 649 CD LYS A 48 -12.068 -3.345 7.366 1.00 0.00 C ATOM 650 CE LYS A 48 -12.535 -3.918 8.695 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.406 -4.096 9.650 1.00 0.00 N ATOM 0 H LYS A 48 -14.402 -5.832 3.975 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.066 -3.206 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.908 -3.757 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.792 -4.899 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.900 -2.053 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.996 -2.421 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.521 -4.108 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.375 -2.524 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.281 -3.255 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.022 -4.878 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.481 -5.028 10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.504 -4.033 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.444 -3.352 10.375 1.00 0.00 H new ATOM 665 N ILE A 49 -10.762 -3.947 4.408 1.00 0.00 N ATOM 666 CA ILE A 49 -9.386 -4.401 4.570 1.00 0.00 C ATOM 667 C ILE A 49 -9.108 -4.806 6.014 1.00 0.00 C ATOM 668 O ILE A 49 -9.011 -3.958 6.901 1.00 0.00 O ATOM 669 CB ILE A 49 -8.381 -3.311 4.152 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.422 -3.104 2.636 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.977 -3.685 4.604 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.059 -1.700 2.209 1.00 0.00 C ATOM 0 H ILE A 49 -10.856 -2.956 4.186 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.261 -5.268 3.921 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.660 -2.374 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.737 -3.808 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.422 -3.339 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.278 -2.906 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.959 -3.787 5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.687 -4.630 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.109 -1.626 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.758 -0.992 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.047 -1.468 2.542 1.00 0.00 H new ATOM 684 N VAL A 50 -8.978 -6.109 6.242 1.00 0.00 N ATOM 685 CA VAL A 50 -8.707 -6.628 7.578 1.00 0.00 C ATOM 686 C VAL A 50 -7.210 -6.799 7.808 1.00 0.00 C ATOM 687 O VAL A 50 -6.736 -6.754 8.944 1.00 0.00 O ATOM 688 CB VAL A 50 -9.408 -7.980 7.808 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.917 -7.795 7.867 1.00 0.00 C ATOM 690 CG2 VAL A 50 -9.026 -8.970 6.718 1.00 0.00 C ATOM 0 H VAL A 50 -9.056 -6.825 5.519 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.100 -5.898 8.286 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.078 -8.383 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.396 -8.761 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.169 -7.122 8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.268 -7.370 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.530 -9.920 6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.327 -8.576 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.947 -9.124 6.729 1.00 0.00 H new ATOM 700 N ASP A 51 -6.469 -6.994 6.723 1.00 0.00 N ATOM 701 CA ASP A 51 -5.023 -7.171 6.805 1.00 0.00 C ATOM 702 C ASP A 51 -4.313 -6.348 5.735 1.00 0.00 C ATOM 703 O ASP A 51 -4.813 -6.198 4.620 1.00 0.00 O ATOM 704 CB ASP A 51 -4.659 -8.649 6.656 1.00 0.00 C ATOM 705 CG ASP A 51 -5.483 -9.543 7.562 1.00 0.00 C ATOM 706 OD1 ASP A 51 -5.233 -9.539 8.785 1.00 0.00 O ATOM 707 OD2 ASP A 51 -6.377 -10.247 7.047 1.00 0.00 O ATOM 0 H ASP A 51 -6.845 -7.034 5.776 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.694 -6.821 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.805 -8.953 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.601 -8.784 6.882 1.00 0.00 H new ATOM 712 N ALA A 52 -3.146 -5.817 6.081 1.00 0.00 N ATOM 713 CA ALA A 52 -2.367 -5.011 5.150 1.00 0.00 C ATOM 714 C ALA A 52 -0.882 -5.349 5.239 1.00 0.00 C ATOM 715 O ALA A 52 -0.378 -5.694 6.308 1.00 0.00 O ATOM 716 CB ALA A 52 -2.590 -3.530 5.419 1.00 0.00 C ATOM 0 H ALA A 52 -2.719 -5.930 7.000 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.705 -5.241 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.002 -2.940 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.647 -3.293 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.281 -3.295 6.438 1.00 0.00 H new ATOM 722 N ARG A 53 -0.188 -5.247 4.111 1.00 0.00 N ATOM 723 CA ARG A 53 1.239 -5.544 4.062 1.00 0.00 C ATOM 724 C ARG A 53 1.996 -4.454 3.309 1.00 0.00 C ATOM 725 O ARG A 53 1.427 -3.755 2.470 1.00 0.00 O ATOM 726 CB ARG A 53 1.477 -6.899 3.393 1.00 0.00 C ATOM 727 CG ARG A 53 1.515 -8.062 4.371 1.00 0.00 C ATOM 728 CD ARG A 53 2.937 -8.372 4.813 1.00 0.00 C ATOM 729 NE ARG A 53 3.619 -7.189 5.331 1.00 0.00 N ATOM 730 CZ ARG A 53 4.850 -6.837 4.978 1.00 0.00 C ATOM 731 NH1 ARG A 53 5.530 -7.573 4.109 1.00 0.00 N ATOM 732 NH2 ARG A 53 5.403 -5.747 5.493 1.00 0.00 N ATOM 0 H ARG A 53 -0.590 -4.961 3.218 1.00 0.00 H new ATOM 0 HA ARG A 53 1.612 -5.581 5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.689 -7.077 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.419 -6.864 2.846 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.905 -7.826 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.077 -8.945 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.917 -9.145 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.499 -8.775 3.970 1.00 0.00 H new ATOM 0 HE ARG A 53 3.123 -6.601 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.108 -8.411 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.475 -7.301 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.883 -5.178 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.348 -5.478 5.221 1.00 0.00 H new ATOM 746 N PHE A 54 3.281 -4.313 3.617 1.00 0.00 N ATOM 747 CA PHE A 54 4.116 -3.307 2.971 1.00 0.00 C ATOM 748 C PHE A 54 5.578 -3.743 2.954 1.00 0.00 C ATOM 749 O PHE A 54 6.204 -3.897 4.002 1.00 0.00 O ATOM 750 CB PHE A 54 3.981 -1.963 3.691 1.00 0.00 C ATOM 751 CG PHE A 54 5.005 -1.755 4.769 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.815 -2.286 6.035 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.158 -1.029 4.518 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.756 -2.097 7.030 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.102 -0.837 5.508 1.00 0.00 C ATOM 756 CZ PHE A 54 6.900 -1.370 6.766 1.00 0.00 C ATOM 0 H PHE A 54 3.767 -4.883 4.310 1.00 0.00 H new ATOM 0 HA PHE A 54 3.777 -3.196 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.066 -1.158 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.985 -1.893 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.921 -2.854 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.321 -0.608 3.537 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.597 -2.517 8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.997 -0.271 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.636 -1.218 7.542 1.00 0.00 H new ATOM 766 N LYS A 55 6.116 -3.940 1.755 1.00 0.00 N ATOM 767 CA LYS A 55 7.504 -4.358 1.599 1.00 0.00 C ATOM 768 C LYS A 55 8.235 -3.456 0.609 1.00 0.00 C ATOM 769 O LYS A 55 8.136 -3.639 -0.605 1.00 0.00 O ATOM 770 CB LYS A 55 7.571 -5.812 1.125 1.00 0.00 C ATOM 771 CG LYS A 55 8.835 -6.535 1.557 1.00 0.00 C ATOM 772 CD LYS A 55 9.086 -6.377 3.047 1.00 0.00 C ATOM 773 CE LYS A 55 10.027 -7.451 3.570 1.00 0.00 C ATOM 774 NZ LYS A 55 9.371 -8.787 3.621 1.00 0.00 N ATOM 0 H LYS A 55 5.612 -3.817 0.877 1.00 0.00 H new ATOM 0 HA LYS A 55 7.993 -4.276 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.705 -6.351 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.503 -5.834 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.752 -7.594 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.687 -6.145 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.511 -5.393 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.139 -6.428 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.909 -7.504 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.372 -7.177 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.921 -9.421 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.408 -8.687 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.325 -9.188 2.662 1.00 0.00 H new ATOM 788 N THR A 56 8.971 -2.482 1.135 1.00 0.00 N ATOM 789 CA THR A 56 9.719 -1.552 0.299 1.00 0.00 C ATOM 790 C THR A 56 11.208 -1.881 0.306 1.00 0.00 C ATOM 791 O THR A 56 11.759 -2.289 1.329 1.00 0.00 O ATOM 792 CB THR A 56 9.525 -0.097 0.764 1.00 0.00 C ATOM 793 OG1 THR A 56 8.146 0.140 1.070 1.00 0.00 O ATOM 794 CG2 THR A 56 9.987 0.880 -0.307 1.00 0.00 C ATOM 0 H THR A 56 9.065 -2.317 2.137 1.00 0.00 H new ATOM 0 HA THR A 56 9.331 -1.657 -0.714 1.00 0.00 H new ATOM 0 HB THR A 56 10.127 0.058 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.081 0.762 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.840 1.901 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.044 0.717 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.408 0.723 -1.217 1.00 0.00 H new ATOM 802 N PHE A 57 11.854 -1.701 -0.841 1.00 0.00 N ATOM 803 CA PHE A 57 13.280 -1.979 -0.967 1.00 0.00 C ATOM 804 C PHE A 57 14.000 -0.828 -1.663 1.00 0.00 C ATOM 805 O PHE A 57 13.855 -0.629 -2.868 1.00 0.00 O ATOM 806 CB PHE A 57 13.501 -3.278 -1.744 1.00 0.00 C ATOM 807 CG PHE A 57 12.895 -4.483 -1.082 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.352 -4.916 0.152 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.869 -5.183 -1.696 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.796 -6.024 0.764 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.309 -6.292 -1.089 1.00 0.00 C ATOM 812 CZ PHE A 57 11.773 -6.713 0.141 1.00 0.00 C ATOM 0 H PHE A 57 11.413 -1.364 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 57 13.693 -2.089 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.078 -3.171 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.572 -3.441 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.152 -4.381 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.503 -4.859 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.160 -6.350 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.509 -6.829 -1.577 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.337 -7.580 0.616 1.00 0.00 H new ATOM 822 N GLY A 58 14.777 -0.071 -0.894 1.00 0.00 N ATOM 823 CA GLY A 58 15.507 1.051 -1.453 1.00 0.00 C ATOM 824 C GLY A 58 15.716 2.166 -0.447 1.00 0.00 C ATOM 825 O GLY A 58 16.182 1.927 0.667 1.00 0.00 O ATOM 0 H GLY A 58 14.914 -0.215 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.476 0.706 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.965 1.440 -2.315 1.00 0.00 H new ATOM 829 N CYS A 59 15.373 3.388 -0.841 1.00 0.00 N ATOM 830 CA CYS A 59 15.528 4.544 0.033 1.00 0.00 C ATOM 831 C CYS A 59 14.483 4.530 1.145 1.00 0.00 C ATOM 832 O CYS A 59 13.387 3.996 0.975 1.00 0.00 O ATOM 833 CB CYS A 59 15.412 5.839 -0.774 1.00 0.00 C ATOM 834 SG CYS A 59 13.702 6.429 -0.992 1.00 0.00 S ATOM 0 H CYS A 59 14.986 3.603 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 59 16.517 4.494 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.993 6.617 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.859 5.684 -1.756 1.00 0.00 H new ATOM 0 HG CYS A 59 13.123 5.743 -1.932 1.00 0.00 H new ATOM 839 N GLY A 60 14.830 5.122 2.284 1.00 0.00 N ATOM 840 CA GLY A 60 13.911 5.166 3.407 1.00 0.00 C ATOM 841 C GLY A 60 12.614 5.873 3.067 1.00 0.00 C ATOM 842 O GLY A 60 11.530 5.362 3.347 1.00 0.00 O ATOM 0 H GLY A 60 15.731 5.572 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.692 4.149 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.389 5.674 4.244 1.00 0.00 H new ATOM 846 N SER A 61 12.725 7.052 2.463 1.00 0.00 N ATOM 847 CA SER A 61 11.551 7.832 2.090 1.00 0.00 C ATOM 848 C SER A 61 10.430 6.925 1.592 1.00 0.00 C ATOM 849 O SER A 61 9.251 7.205 1.802 1.00 0.00 O ATOM 850 CB SER A 61 11.914 8.853 1.009 1.00 0.00 C ATOM 851 OG SER A 61 12.770 9.858 1.524 1.00 0.00 O ATOM 0 H SER A 61 13.615 7.488 2.222 1.00 0.00 H new ATOM 0 HA SER A 61 11.200 8.360 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.402 8.347 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.006 9.310 0.617 1.00 0.00 H new ATOM 0 HG SER A 61 12.240 10.644 1.771 1.00 0.00 H new ATOM 857 N ALA A 62 10.809 5.835 0.932 1.00 0.00 N ATOM 858 CA ALA A 62 9.838 4.885 0.406 1.00 0.00 C ATOM 859 C ALA A 62 9.308 3.974 1.509 1.00 0.00 C ATOM 860 O ALA A 62 8.115 3.674 1.559 1.00 0.00 O ATOM 861 CB ALA A 62 10.459 4.058 -0.711 1.00 0.00 C ATOM 0 H ALA A 62 11.782 5.589 0.749 1.00 0.00 H new ATOM 0 HA ALA A 62 8.998 5.449 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.722 3.353 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.782 4.718 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.318 3.510 -0.324 1.00 0.00 H new ATOM 867 N ILE A 63 10.202 3.537 2.389 1.00 0.00 N ATOM 868 CA ILE A 63 9.824 2.661 3.491 1.00 0.00 C ATOM 869 C ILE A 63 8.835 3.349 4.426 1.00 0.00 C ATOM 870 O ILE A 63 7.914 2.719 4.945 1.00 0.00 O ATOM 871 CB ILE A 63 11.054 2.213 4.302 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.020 1.428 3.413 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.624 1.374 5.496 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.448 1.444 3.911 1.00 0.00 C ATOM 0 H ILE A 63 11.193 3.775 2.360 1.00 0.00 H new ATOM 0 HA ILE A 63 9.352 1.784 3.049 1.00 0.00 H new ATOM 0 HB ILE A 63 11.569 3.099 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.679 0.395 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.991 1.841 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.504 1.065 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.971 1.964 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.089 0.491 5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.077 0.868 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.807 2.472 3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.491 1.003 4.907 1.00 0.00 H new ATOM 886 N ALA A 64 9.032 4.647 4.635 1.00 0.00 N ATOM 887 CA ALA A 64 8.155 5.422 5.504 1.00 0.00 C ATOM 888 C ALA A 64 6.746 5.508 4.927 1.00 0.00 C ATOM 889 O ALA A 64 5.809 4.914 5.461 1.00 0.00 O ATOM 890 CB ALA A 64 8.725 6.816 5.720 1.00 0.00 C ATOM 0 H ALA A 64 9.791 5.183 4.215 1.00 0.00 H new ATOM 0 HA ALA A 64 8.095 4.913 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.060 7.384 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.708 6.739 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.815 7.325 4.760 1.00 0.00 H new ATOM 896 N SER A 65 6.603 6.252 3.835 1.00 0.00 N ATOM 897 CA SER A 65 5.307 6.419 3.188 1.00 0.00 C ATOM 898 C SER A 65 4.533 5.104 3.174 1.00 0.00 C ATOM 899 O SER A 65 3.347 5.066 3.501 1.00 0.00 O ATOM 900 CB SER A 65 5.489 6.932 1.758 1.00 0.00 C ATOM 901 OG SER A 65 4.303 7.542 1.280 1.00 0.00 O ATOM 0 H SER A 65 7.369 6.749 3.380 1.00 0.00 H new ATOM 0 HA SER A 65 4.736 7.151 3.759 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.309 7.650 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.765 6.105 1.104 1.00 0.00 H new ATOM 0 HG SER A 65 4.450 8.505 1.174 1.00 0.00 H new ATOM 907 N SER A 66 5.214 4.028 2.793 1.00 0.00 N ATOM 908 CA SER A 66 4.591 2.711 2.732 1.00 0.00 C ATOM 909 C SER A 66 4.038 2.308 4.096 1.00 0.00 C ATOM 910 O SER A 66 2.829 2.157 4.268 1.00 0.00 O ATOM 911 CB SER A 66 5.600 1.668 2.249 1.00 0.00 C ATOM 912 OG SER A 66 6.797 1.728 3.006 1.00 0.00 O ATOM 0 H SER A 66 6.197 4.042 2.522 1.00 0.00 H new ATOM 0 HA SER A 66 3.764 2.760 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.165 0.672 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.824 1.834 1.195 1.00 0.00 H new ATOM 0 HG SER A 66 7.399 2.394 2.614 1.00 0.00 H new ATOM 918 N SER A 67 4.934 2.136 5.062 1.00 0.00 N ATOM 919 CA SER A 67 4.538 1.746 6.411 1.00 0.00 C ATOM 920 C SER A 67 3.300 2.519 6.858 1.00 0.00 C ATOM 921 O SER A 67 2.392 1.958 7.472 1.00 0.00 O ATOM 922 CB SER A 67 5.686 1.988 7.392 1.00 0.00 C ATOM 923 OG SER A 67 5.729 3.344 7.803 1.00 0.00 O ATOM 0 H SER A 67 5.939 2.260 4.936 1.00 0.00 H new ATOM 0 HA SER A 67 4.297 0.683 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.566 1.344 8.263 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.632 1.717 6.924 1.00 0.00 H new ATOM 0 HG SER A 67 5.775 3.924 7.014 1.00 0.00 H new ATOM 929 N LEU A 68 3.272 3.810 6.545 1.00 0.00 N ATOM 930 CA LEU A 68 2.146 4.661 6.914 1.00 0.00 C ATOM 931 C LEU A 68 0.928 4.359 6.047 1.00 0.00 C ATOM 932 O LEU A 68 -0.201 4.323 6.537 1.00 0.00 O ATOM 933 CB LEU A 68 2.530 6.135 6.777 1.00 0.00 C ATOM 934 CG LEU A 68 1.388 7.142 6.915 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.903 8.462 7.467 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.700 7.355 5.574 1.00 0.00 C ATOM 0 H LEU A 68 4.015 4.290 6.037 1.00 0.00 H new ATOM 0 HA LEU A 68 1.890 4.453 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.283 6.365 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.999 6.279 5.803 1.00 0.00 H new ATOM 0 HG LEU A 68 0.657 6.739 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.076 9.166 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.349 8.297 8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.654 8.871 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.110 8.075 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.422 7.735 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.295 6.408 5.218 1.00 0.00 H new ATOM 948 N ALA A 69 1.165 4.141 4.758 1.00 0.00 N ATOM 949 CA ALA A 69 0.088 3.837 3.824 1.00 0.00 C ATOM 950 C ALA A 69 -0.625 2.545 4.209 1.00 0.00 C ATOM 951 O ALA A 69 -1.844 2.522 4.378 1.00 0.00 O ATOM 952 CB ALA A 69 0.630 3.741 2.406 1.00 0.00 C ATOM 0 H ALA A 69 2.093 4.169 4.337 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.638 4.649 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.185 3.514 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.086 4.690 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.378 2.950 2.355 1.00 0.00 H new ATOM 958 N THR A 70 0.144 1.469 4.345 1.00 0.00 N ATOM 959 CA THR A 70 -0.414 0.172 4.708 1.00 0.00 C ATOM 960 C THR A 70 -1.130 0.238 6.052 1.00 0.00 C ATOM 961 O THR A 70 -1.999 -0.583 6.343 1.00 0.00 O ATOM 962 CB THR A 70 0.679 -0.911 4.775 1.00 0.00 C ATOM 963 OG1 THR A 70 0.110 -2.199 4.514 1.00 0.00 O ATOM 964 CG2 THR A 70 1.354 -0.916 6.138 1.00 0.00 C ATOM 0 H THR A 70 1.155 1.470 4.209 1.00 0.00 H new ATOM 0 HA THR A 70 -1.130 -0.092 3.930 1.00 0.00 H new ATOM 0 HB THR A 70 1.429 -0.685 4.017 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.512 -2.862 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.122 -1.689 6.161 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.812 0.056 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.612 -1.118 6.911 1.00 0.00 H new ATOM 972 N GLU A 71 -0.760 1.221 6.867 1.00 0.00 N ATOM 973 CA GLU A 71 -1.369 1.393 8.181 1.00 0.00 C ATOM 974 C GLU A 71 -2.665 2.192 8.080 1.00 0.00 C ATOM 975 O GLU A 71 -3.449 2.245 9.028 1.00 0.00 O ATOM 976 CB GLU A 71 -0.396 2.097 9.130 1.00 0.00 C ATOM 977 CG GLU A 71 -1.032 2.533 10.439 1.00 0.00 C ATOM 978 CD GLU A 71 -0.040 2.570 11.586 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.312 1.487 12.099 1.00 0.00 O ATOM 980 OE2 GLU A 71 0.384 3.680 11.969 1.00 0.00 O ATOM 0 H GLU A 71 -0.042 1.910 6.641 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.602 0.405 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.437 1.428 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.019 2.971 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.473 3.522 10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.845 1.851 10.689 1.00 0.00 H new ATOM 987 N TRP A 72 -2.883 2.811 6.925 1.00 0.00 N ATOM 988 CA TRP A 72 -4.084 3.607 6.700 1.00 0.00 C ATOM 989 C TRP A 72 -5.205 2.750 6.123 1.00 0.00 C ATOM 990 O TRP A 72 -6.372 2.915 6.478 1.00 0.00 O ATOM 991 CB TRP A 72 -3.779 4.772 5.757 1.00 0.00 C ATOM 992 CG TRP A 72 -3.144 5.942 6.445 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.782 6.023 7.759 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.799 7.200 5.854 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.232 7.255 8.021 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.231 7.995 6.869 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.912 7.731 4.567 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.780 9.291 6.633 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.465 9.018 4.335 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.903 9.786 5.364 1.00 0.00 C ATOM 0 H TRP A 72 -2.244 2.777 6.130 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.413 4.003 7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.118 4.424 4.963 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.704 5.097 5.282 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.909 5.235 8.486 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.882 7.567 8.927 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.341 7.146 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.348 9.885 7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.550 9.439 3.344 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.561 10.788 5.151 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.844 1.833 5.230 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.820 0.949 4.605 1.00 0.00 C ATOM 1013 C VAL A 73 -6.484 0.045 5.638 1.00 0.00 C ATOM 1014 O VAL A 73 -7.617 -0.401 5.452 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.169 0.074 3.517 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.575 0.942 2.418 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.107 -0.830 4.126 1.00 0.00 C ATOM 0 H VAL A 73 -3.883 1.683 4.924 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.575 1.586 4.145 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.939 -0.556 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.120 0.306 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.363 1.543 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.817 1.599 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.657 -1.441 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.337 -0.220 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.565 -1.477 4.874 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.773 -0.221 6.728 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.293 -1.070 7.793 1.00 0.00 C ATOM 1029 C LYS A 74 -7.550 -0.462 8.408 1.00 0.00 C ATOM 1030 O LYS A 74 -7.592 0.730 8.709 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.231 -1.273 8.876 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.033 -2.081 8.408 1.00 0.00 C ATOM 1033 CD LYS A 74 -3.040 -2.310 9.535 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.622 -2.466 9.006 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.608 -2.003 9.993 1.00 0.00 N ATOM 0 H LYS A 74 -4.834 0.140 6.897 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.551 -2.036 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.888 -0.299 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.686 -1.775 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.371 -3.041 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.540 -1.560 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.079 -1.473 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.321 -3.203 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.439 -3.512 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.515 -1.898 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.345 -2.126 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.767 -0.998 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.693 -2.562 10.866 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.573 -1.292 8.593 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.817 -0.818 9.172 1.00 0.00 C ATOM 1051 C GLY A 75 -10.704 -0.128 8.155 1.00 0.00 C ATOM 1052 O GLY A 75 -11.895 0.073 8.394 1.00 0.00 O ATOM 0 H GLY A 75 -8.562 -2.283 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.355 -1.660 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.596 -0.126 9.985 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.124 0.237 7.017 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.869 0.909 5.959 1.00 0.00 C ATOM 1058 C LYS A 76 -11.240 -0.069 4.849 1.00 0.00 C ATOM 1059 O LYS A 76 -10.744 -1.196 4.807 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.047 2.063 5.382 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.630 3.091 6.419 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.878 4.250 5.785 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.204 5.118 6.837 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.183 5.978 7.557 1.00 0.00 N ATOM 0 H LYS A 76 -9.139 0.079 6.803 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.787 1.306 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.155 1.659 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.628 2.559 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.513 3.468 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.000 2.616 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.128 3.864 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.569 4.856 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.684 4.482 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.450 5.746 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.684 6.554 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.662 6.603 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.888 5.379 8.032 1.00 0.00 H new ATOM 1078 N THR A 77 -12.116 0.368 3.949 1.00 0.00 N ATOM 1079 CA THR A 77 -12.553 -0.469 2.839 1.00 0.00 C ATOM 1080 C THR A 77 -11.865 -0.063 1.540 1.00 0.00 C ATOM 1081 O THR A 77 -11.419 1.075 1.391 1.00 0.00 O ATOM 1082 CB THR A 77 -14.079 -0.391 2.643 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.461 0.946 2.299 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.809 -0.823 3.906 1.00 0.00 C ATOM 0 H THR A 77 -12.537 1.297 3.968 1.00 0.00 H new ATOM 0 HA THR A 77 -12.278 -1.494 3.089 1.00 0.00 H new ATOM 0 HB THR A 77 -14.355 -1.067 1.833 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.432 0.987 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.885 -0.760 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.538 -1.850 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.527 -0.169 4.731 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.781 -1.001 0.602 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.148 -0.741 -0.685 1.00 0.00 C ATOM 1094 C VAL A 78 -11.556 0.623 -1.232 1.00 0.00 C ATOM 1095 O VAL A 78 -10.716 1.391 -1.700 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.509 -1.825 -1.718 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.001 -3.185 -1.265 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.012 -1.859 -1.950 1.00 0.00 C ATOM 0 H VAL A 78 -12.144 -1.948 0.710 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.071 -0.755 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.023 -1.579 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.265 -3.938 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.917 -3.150 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.456 -3.443 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.250 -2.630 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.520 -2.081 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.345 -0.890 -2.322 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.851 0.917 -1.169 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.369 2.188 -1.658 1.00 0.00 C ATOM 1110 C GLU A 79 -12.667 3.360 -0.979 1.00 0.00 C ATOM 1111 O GLU A 79 -12.266 4.321 -1.635 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.878 2.276 -1.418 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.665 1.158 -2.081 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.092 1.069 -1.573 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.882 1.992 -1.860 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.417 0.075 -0.890 1.00 0.00 O ATOM 0 H GLU A 79 -13.560 0.292 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.174 2.241 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.069 2.257 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.241 3.234 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.676 1.316 -3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.160 0.208 -1.904 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.521 3.272 0.339 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.868 4.326 1.107 1.00 0.00 C ATOM 1125 C GLU A 80 -10.408 4.477 0.691 1.00 0.00 C ATOM 1126 O GLU A 80 -9.922 5.589 0.484 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.954 4.024 2.605 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.374 3.808 3.101 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.128 5.109 3.295 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.488 6.120 3.651 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.360 5.116 3.090 1.00 0.00 O ATOM 0 H GLU A 80 -12.846 2.482 0.897 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.385 5.263 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.363 3.134 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.506 4.848 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.913 3.183 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.346 3.264 4.045 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.713 3.350 0.571 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.309 3.357 0.179 1.00 0.00 C ATOM 1140 C ALA A 81 -8.123 4.019 -1.182 1.00 0.00 C ATOM 1141 O ALA A 81 -7.121 4.694 -1.423 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.761 1.937 0.156 1.00 0.00 C ATOM 0 H ALA A 81 -10.099 2.421 0.740 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.754 3.938 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.712 1.957 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.851 1.496 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.327 1.340 -0.559 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.092 3.822 -2.069 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.034 4.401 -3.407 1.00 0.00 C ATOM 1150 C LEU A 82 -9.017 5.925 -3.341 1.00 0.00 C ATOM 1151 O LEU A 82 -8.465 6.590 -4.218 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.227 3.928 -4.240 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.017 2.646 -5.045 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.928 2.842 -6.088 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.670 1.487 -4.121 1.00 0.00 C ATOM 0 H LEU A 82 -9.927 3.266 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.111 4.067 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.075 3.779 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.502 4.726 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.947 2.408 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.793 1.918 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.216 3.643 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.993 3.105 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.524 0.582 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.754 1.717 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.483 1.331 -3.412 1.00 0.00 H new ATOM 1167 N THR A 83 -9.624 6.474 -2.293 1.00 0.00 N ATOM 1168 CA THR A 83 -9.678 7.919 -2.111 1.00 0.00 C ATOM 1169 C THR A 83 -8.363 8.452 -1.554 1.00 0.00 C ATOM 1170 O THR A 83 -8.035 9.626 -1.730 1.00 0.00 O ATOM 1171 CB THR A 83 -10.825 8.324 -1.166 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.385 8.254 0.195 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.032 7.419 -1.361 1.00 0.00 C ATOM 0 H THR A 83 -10.085 5.939 -1.557 1.00 0.00 H new ATOM 0 HA THR A 83 -9.856 8.355 -3.094 1.00 0.00 H new ATOM 0 HB THR A 83 -11.117 9.347 -1.402 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.153 7.328 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.829 7.724 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.382 7.496 -2.390 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.751 6.387 -1.150 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.614 7.584 -0.884 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.334 7.968 -0.303 1.00 0.00 C ATOM 1183 C ILE A 84 -5.437 8.633 -1.342 1.00 0.00 C ATOM 1184 O ILE A 84 -5.008 7.998 -2.306 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.598 6.754 0.292 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.394 6.170 1.461 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.200 7.150 0.742 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.788 4.910 2.037 1.00 0.00 C ATOM 0 H ILE A 84 -7.872 6.609 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.550 8.678 0.496 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.507 5.989 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.470 6.920 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.409 5.955 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.693 6.281 1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.635 7.524 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.269 7.930 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.406 4.553 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.737 4.144 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.783 5.123 2.402 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.153 9.915 -1.138 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.304 10.666 -2.055 1.00 0.00 C ATOM 1202 C LYS A 85 -2.843 10.599 -1.621 1.00 0.00 C ATOM 1203 O LYS A 85 -2.543 10.364 -0.452 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.760 12.126 -2.124 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.367 12.636 -0.829 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.870 12.415 -0.792 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.570 13.482 0.036 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.817 12.966 0.665 1.00 0.00 N ATOM 0 H LYS A 85 -5.499 10.456 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.392 10.217 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.907 12.752 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.492 12.232 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.903 12.128 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.152 13.699 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.265 12.424 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.084 11.431 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.894 13.841 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.809 14.335 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.264 13.723 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.473 12.646 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.586 12.168 1.291 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.938 10.809 -2.572 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.509 10.773 -2.288 1.00 0.00 C ATOM 1224 C ASN A 86 -0.059 12.057 -1.597 1.00 0.00 C ATOM 1225 O ASN A 86 0.881 12.052 -0.801 1.00 0.00 O ATOM 1226 CB ASN A 86 0.285 10.572 -3.580 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.120 11.550 -4.666 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.269 11.563 -5.108 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.824 12.376 -5.101 1.00 0.00 N ATOM 0 H ASN A 86 -2.170 11.006 -3.546 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.319 9.934 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.349 10.686 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.138 9.553 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.610 13.056 -5.830 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.763 12.330 -4.706 1.00 0.00 H new ATOM 1236 N THR A 87 -0.737 13.158 -1.906 1.00 0.00 N ATOM 1237 CA THR A 87 -0.408 14.449 -1.316 1.00 0.00 C ATOM 1238 C THR A 87 -0.542 14.411 0.202 1.00 0.00 C ATOM 1239 O THR A 87 0.324 14.907 0.924 1.00 0.00 O ATOM 1240 CB THR A 87 -1.311 15.567 -1.871 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.577 15.553 -1.200 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.523 15.398 -3.368 1.00 0.00 C ATOM 0 H THR A 87 -1.518 13.181 -2.562 1.00 0.00 H new ATOM 0 HA THR A 87 0.627 14.662 -1.581 1.00 0.00 H new ATOM 0 HB THR A 87 -0.818 16.523 -1.695 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.145 16.268 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.164 16.199 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.561 15.438 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.997 14.436 -3.562 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.630 13.818 0.681 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.876 13.713 2.114 1.00 0.00 C ATOM 1252 C ASP A 88 -0.716 13.011 2.814 1.00 0.00 C ATOM 1253 O ASP A 88 -0.257 13.452 3.869 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.178 12.955 2.376 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.773 13.277 3.733 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -2.995 13.467 4.692 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.016 13.340 3.836 1.00 0.00 O ATOM 0 H ASP A 88 -2.356 13.403 0.097 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.965 14.722 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.901 13.201 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.991 11.883 2.310 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.248 11.918 2.222 1.00 0.00 N ATOM 1263 CA ILE A 89 0.858 11.157 2.789 1.00 0.00 C ATOM 1264 C ILE A 89 2.125 12.002 2.867 1.00 0.00 C ATOM 1265 O ILE A 89 2.583 12.351 3.955 1.00 0.00 O ATOM 1266 CB ILE A 89 1.151 9.889 1.963 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.118 9.047 1.814 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.259 9.076 2.616 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.026 7.907 0.831 1.00 0.00 C ATOM 0 H ILE A 89 -0.617 11.539 1.350 1.00 0.00 H new ATOM 0 HA ILE A 89 0.556 10.865 3.795 1.00 0.00 H new ATOM 0 HB ILE A 89 1.484 10.189 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.393 8.643 2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.936 9.691 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.455 8.184 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.166 9.678 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.952 8.783 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.911 7.353 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.271 8.305 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.823 7.240 1.161 1.00 0.00 H new ATOM 1281 N ALA A 90 2.684 12.329 1.707 1.00 0.00 N ATOM 1282 CA ALA A 90 3.896 13.137 1.644 1.00 0.00 C ATOM 1283 C ALA A 90 3.916 14.184 2.753 1.00 0.00 C ATOM 1284 O ALA A 90 4.974 14.518 3.286 1.00 0.00 O ATOM 1285 CB ALA A 90 4.014 13.806 0.283 1.00 0.00 C ATOM 0 H ALA A 90 2.317 12.047 0.798 1.00 0.00 H new ATOM 0 HA ALA A 90 4.751 12.476 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.923 14.406 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.054 13.044 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.149 14.448 0.117 1.00 0.00 H new ATOM 1291 N LYS A 91 2.740 14.698 3.096 1.00 0.00 N ATOM 1292 CA LYS A 91 2.621 15.707 4.142 1.00 0.00 C ATOM 1293 C LYS A 91 2.796 15.082 5.523 1.00 0.00 C ATOM 1294 O LYS A 91 3.522 15.609 6.365 1.00 0.00 O ATOM 1295 CB LYS A 91 1.262 16.404 4.055 1.00 0.00 C ATOM 1296 CG LYS A 91 1.235 17.770 4.720 1.00 0.00 C ATOM 1297 CD LYS A 91 0.270 18.712 4.020 1.00 0.00 C ATOM 1298 CE LYS A 91 0.968 19.521 2.937 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.999 18.796 1.636 1.00 0.00 N ATOM 0 H LYS A 91 1.855 14.432 2.664 1.00 0.00 H new ATOM 0 HA LYS A 91 3.410 16.444 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.986 16.514 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.507 15.769 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.945 17.661 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.236 18.200 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.545 18.138 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.175 19.388 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.456 20.475 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.987 19.746 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.228 19.463 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.722 18.049 1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.068 18.368 1.455 1.00 0.00 H new ATOM 1313 N GLU A 92 2.127 13.955 5.746 1.00 0.00 N ATOM 1314 CA GLU A 92 2.210 13.259 7.025 1.00 0.00 C ATOM 1315 C GLU A 92 3.661 12.950 7.383 1.00 0.00 C ATOM 1316 O GLU A 92 4.060 13.047 8.545 1.00 0.00 O ATOM 1317 CB GLU A 92 1.398 11.963 6.979 1.00 0.00 C ATOM 1318 CG GLU A 92 1.184 11.330 8.344 1.00 0.00 C ATOM 1319 CD GLU A 92 0.774 12.340 9.398 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.351 12.875 9.300 1.00 0.00 O ATOM 1321 OE2 GLU A 92 1.577 12.597 10.319 1.00 0.00 O ATOM 0 H GLU A 92 1.522 13.505 5.059 1.00 0.00 H new ATOM 0 HA GLU A 92 1.795 13.912 7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.428 12.168 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.907 11.248 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.417 10.560 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.103 10.835 8.659 1.00 0.00 H new ATOM 1328 N LEU A 93 4.446 12.577 6.378 1.00 0.00 N ATOM 1329 CA LEU A 93 5.853 12.253 6.586 1.00 0.00 C ATOM 1330 C LEU A 93 6.724 13.499 6.454 1.00 0.00 C ATOM 1331 O LEU A 93 7.849 13.537 6.952 1.00 0.00 O ATOM 1332 CB LEU A 93 6.306 11.192 5.582 1.00 0.00 C ATOM 1333 CG LEU A 93 5.640 9.821 5.709 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.314 9.518 7.163 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.383 9.757 4.853 1.00 0.00 C ATOM 0 H LEU A 93 4.132 12.491 5.411 1.00 0.00 H new ATOM 0 HA LEU A 93 5.964 11.860 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.124 11.571 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.383 11.061 5.683 1.00 0.00 H new ATOM 0 HG LEU A 93 6.338 9.065 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.841 8.539 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.233 9.520 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.635 10.278 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.922 8.774 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.680 10.523 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.645 9.928 3.809 1.00 0.00 H new ATOM 1347 N CYS A 94 6.195 14.515 5.782 1.00 0.00 N ATOM 1348 CA CYS A 94 6.923 15.764 5.586 1.00 0.00 C ATOM 1349 C CYS A 94 8.203 15.527 4.792 1.00 0.00 C ATOM 1350 O CYS A 94 9.260 16.067 5.121 1.00 0.00 O ATOM 1351 CB CYS A 94 7.256 16.401 6.936 1.00 0.00 C ATOM 1352 SG CYS A 94 7.632 18.168 6.845 1.00 0.00 S ATOM 0 H CYS A 94 5.265 14.499 5.364 1.00 0.00 H new ATOM 0 HA CYS A 94 6.286 16.443 5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.414 16.254 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.109 15.881 7.371 1.00 0.00 H new ATOM 0 HG CYS A 94 7.899 18.617 8.036 1.00 0.00 H new ATOM 1358 N LEU A 95 8.102 14.715 3.745 1.00 0.00 N ATOM 1359 CA LEU A 95 9.253 14.405 2.903 1.00 0.00 C ATOM 1360 C LEU A 95 9.544 15.548 1.936 1.00 0.00 C ATOM 1361 O LEU A 95 8.655 16.307 1.548 1.00 0.00 O ATOM 1362 CB LEU A 95 9.005 13.113 2.124 1.00 0.00 C ATOM 1363 CG LEU A 95 7.828 13.132 1.148 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.289 13.563 -0.236 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.162 11.765 1.088 1.00 0.00 C ATOM 0 H LEU A 95 7.235 14.260 3.459 1.00 0.00 H new ATOM 0 HA LEU A 95 10.120 14.272 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.909 12.870 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.845 12.306 2.839 1.00 0.00 H new ATOM 0 HG LEU A 95 7.096 13.855 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.438 13.571 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.719 14.563 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.041 12.864 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.327 11.798 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.886 11.022 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.796 11.495 2.078 1.00 0.00 H new ATOM 1377 N PRO A 96 10.817 15.674 1.535 1.00 0.00 N ATOM 1378 CA PRO A 96 11.255 16.720 0.605 1.00 0.00 C ATOM 1379 C PRO A 96 10.729 16.496 -0.808 1.00 0.00 C ATOM 1380 O PRO A 96 10.176 15.445 -1.132 1.00 0.00 O ATOM 1381 CB PRO A 96 12.781 16.604 0.633 1.00 0.00 C ATOM 1382 CG PRO A 96 13.046 15.192 1.028 1.00 0.00 C ATOM 1383 CD PRO A 96 11.929 14.805 1.957 1.00 0.00 C ATOM 0 HA PRO A 96 10.884 17.703 0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.213 16.830 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.218 17.303 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.070 14.541 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.014 15.100 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.673 13.750 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.197 14.974 3.000 1.00 0.00 H new ATOM 1391 N PRO A 97 10.905 17.507 -1.673 1.00 0.00 N ATOM 1392 CA PRO A 97 10.455 17.443 -3.067 1.00 0.00 C ATOM 1393 C PRO A 97 11.276 16.462 -3.896 1.00 0.00 C ATOM 1394 O PRO A 97 10.894 16.104 -5.011 1.00 0.00 O ATOM 1395 CB PRO A 97 10.662 18.873 -3.572 1.00 0.00 C ATOM 1396 CG PRO A 97 11.738 19.429 -2.704 1.00 0.00 C ATOM 1397 CD PRO A 97 11.556 18.789 -1.356 1.00 0.00 C ATOM 0 HA PRO A 97 9.426 17.092 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.955 18.884 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.746 19.458 -3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.723 19.205 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.661 20.514 -2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.510 18.641 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.938 19.402 -0.700 1.00 0.00 H new ATOM 1405 N VAL A 98 12.405 16.028 -3.345 1.00 0.00 N ATOM 1406 CA VAL A 98 13.279 15.086 -4.034 1.00 0.00 C ATOM 1407 C VAL A 98 12.816 13.649 -3.819 1.00 0.00 C ATOM 1408 O VAL A 98 12.973 12.797 -4.693 1.00 0.00 O ATOM 1409 CB VAL A 98 14.737 15.221 -3.556 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.848 14.882 -2.077 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.653 14.333 -4.385 1.00 0.00 C ATOM 0 H VAL A 98 12.736 16.314 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 98 13.229 15.326 -5.096 1.00 0.00 H new ATOM 0 HB VAL A 98 15.051 16.256 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.885 14.983 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.222 15.563 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.516 13.857 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.679 14.441 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.342 13.293 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.595 14.628 -5.433 1.00 0.00 H new ATOM 1421 N LYS A 99 12.245 13.386 -2.649 1.00 0.00 N ATOM 1422 CA LYS A 99 11.756 12.053 -2.317 1.00 0.00 C ATOM 1423 C LYS A 99 10.266 11.929 -2.619 1.00 0.00 C ATOM 1424 O LYS A 99 9.581 11.064 -2.071 1.00 0.00 O ATOM 1425 CB LYS A 99 12.016 11.744 -0.841 1.00 0.00 C ATOM 1426 CG LYS A 99 13.468 11.915 -0.430 1.00 0.00 C ATOM 1427 CD LYS A 99 14.366 10.905 -1.124 1.00 0.00 C ATOM 1428 CE LYS A 99 15.837 11.219 -0.900 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.690 10.005 -1.026 1.00 0.00 N ATOM 0 H LYS A 99 12.109 14.079 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 99 12.295 11.332 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.394 12.396 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.707 10.720 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.799 12.925 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.557 11.801 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.146 9.905 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.153 10.901 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.162 11.968 -1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.969 11.654 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.685 10.262 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.397 9.300 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.585 9.604 -1.980 1.00 0.00 H new ATOM 1443 N LEU A 100 9.771 12.796 -3.495 1.00 0.00 N ATOM 1444 CA LEU A 100 8.361 12.782 -3.871 1.00 0.00 C ATOM 1445 C LEU A 100 7.964 11.425 -4.445 1.00 0.00 C ATOM 1446 O LEU A 100 6.921 10.872 -4.094 1.00 0.00 O ATOM 1447 CB LEU A 100 8.075 13.884 -4.893 1.00 0.00 C ATOM 1448 CG LEU A 100 7.651 15.236 -4.320 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.654 16.301 -5.406 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.277 15.135 -3.674 1.00 0.00 C ATOM 0 H LEU A 100 10.324 13.517 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 100 7.769 12.964 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.970 14.033 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.291 13.534 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 100 8.370 15.525 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.350 17.257 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.657 16.393 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.958 16.018 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.992 16.107 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.546 14.822 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.307 14.403 -2.867 1.00 0.00 H new ATOM 1462 N HIS A 101 8.803 10.893 -5.328 1.00 0.00 N ATOM 1463 CA HIS A 101 8.541 9.599 -5.948 1.00 0.00 C ATOM 1464 C HIS A 101 7.917 8.633 -4.946 1.00 0.00 C ATOM 1465 O HIS A 101 7.030 7.851 -5.293 1.00 0.00 O ATOM 1466 CB HIS A 101 9.835 9.007 -6.508 1.00 0.00 C ATOM 1467 CG HIS A 101 10.843 8.666 -5.454 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.646 9.609 -4.849 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.174 7.478 -4.897 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.430 9.015 -3.966 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.162 7.722 -3.975 1.00 0.00 N ATOM 0 H HIS A 101 9.670 11.338 -5.630 1.00 0.00 H new ATOM 0 HA HIS A 101 7.837 9.751 -6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.597 8.108 -7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.278 9.718 -7.206 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.637 10.609 -5.051 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.742 6.517 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.165 9.504 -3.343 1.00 0.00 H new ATOM 1479 N CYS A 102 8.385 8.691 -3.705 1.00 0.00 N ATOM 1480 CA CYS A 102 7.874 7.820 -2.653 1.00 0.00 C ATOM 1481 C CYS A 102 6.411 8.130 -2.353 1.00 0.00 C ATOM 1482 O CYS A 102 5.578 7.227 -2.276 1.00 0.00 O ATOM 1483 CB CYS A 102 8.711 7.975 -1.382 1.00 0.00 C ATOM 1484 SG CYS A 102 10.416 7.396 -1.546 1.00 0.00 S ATOM 0 H CYS A 102 9.118 9.332 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 102 7.944 6.790 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.722 9.026 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.229 7.427 -0.573 1.00 0.00 H new ATOM 0 HG CYS A 102 10.909 7.812 -2.675 1.00 0.00 H new ATOM 1490 N SER A 103 6.106 9.412 -2.184 1.00 0.00 N ATOM 1491 CA SER A 103 4.744 9.841 -1.888 1.00 0.00 C ATOM 1492 C SER A 103 3.755 9.234 -2.878 1.00 0.00 C ATOM 1493 O SER A 103 2.791 8.578 -2.486 1.00 0.00 O ATOM 1494 CB SER A 103 4.648 11.368 -1.924 1.00 0.00 C ATOM 1495 OG SER A 103 4.523 11.839 -3.255 1.00 0.00 O ATOM 0 H SER A 103 6.783 10.172 -2.247 1.00 0.00 H new ATOM 0 HA SER A 103 4.489 9.492 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.790 11.696 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.535 11.802 -1.463 1.00 0.00 H new ATOM 0 HG SER A 103 5.364 11.689 -3.735 1.00 0.00 H new ATOM 1501 N MET A 104 4.002 9.460 -4.165 1.00 0.00 N ATOM 1502 CA MET A 104 3.135 8.934 -5.213 1.00 0.00 C ATOM 1503 C MET A 104 3.156 7.409 -5.222 1.00 0.00 C ATOM 1504 O MET A 104 2.108 6.764 -5.272 1.00 0.00 O ATOM 1505 CB MET A 104 3.567 9.471 -6.579 1.00 0.00 C ATOM 1506 CG MET A 104 5.012 9.150 -6.928 1.00 0.00 C ATOM 1507 SD MET A 104 5.612 10.099 -8.338 1.00 0.00 S ATOM 1508 CE MET A 104 5.775 11.726 -7.607 1.00 0.00 C ATOM 0 H MET A 104 4.795 10.003 -4.506 1.00 0.00 H new ATOM 0 HA MET A 104 2.117 9.264 -5.007 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.915 9.055 -7.347 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.429 10.552 -6.596 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.644 9.352 -6.063 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.101 8.086 -7.147 1.00 0.00 H new ATOM 0 HE1 MET A 104 6.567 12.276 -8.116 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.834 12.267 -7.709 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.024 11.627 -6.550 1.00 0.00 H new ATOM 1518 N LEU A 105 4.355 6.839 -5.175 1.00 0.00 N ATOM 1519 CA LEU A 105 4.512 5.388 -5.178 1.00 0.00 C ATOM 1520 C LEU A 105 3.550 4.734 -4.192 1.00 0.00 C ATOM 1521 O LEU A 105 2.877 3.758 -4.522 1.00 0.00 O ATOM 1522 CB LEU A 105 5.953 5.011 -4.829 1.00 0.00 C ATOM 1523 CG LEU A 105 6.379 3.586 -5.185 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.669 3.471 -6.673 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.596 3.174 -4.369 1.00 0.00 C ATOM 0 H LEU A 105 5.232 7.358 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 105 4.280 5.024 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.622 5.706 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.096 5.155 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 105 5.558 2.911 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.971 2.450 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.772 3.723 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.472 4.157 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.885 2.157 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.422 3.853 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.353 3.216 -3.307 1.00 0.00 H new ATOM 1537 N ALA A 106 3.490 5.279 -2.982 1.00 0.00 N ATOM 1538 CA ALA A 106 2.607 4.751 -1.949 1.00 0.00 C ATOM 1539 C ALA A 106 1.167 4.673 -2.445 1.00 0.00 C ATOM 1540 O ALA A 106 0.442 3.732 -2.126 1.00 0.00 O ATOM 1541 CB ALA A 106 2.690 5.608 -0.695 1.00 0.00 C ATOM 0 H ALA A 106 4.042 6.086 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 106 2.935 3.740 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.026 5.202 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.714 5.608 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.390 6.629 -0.931 1.00 0.00 H new ATOM 1547 N GLU A 107 0.761 5.670 -3.225 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.594 5.713 -3.763 1.00 0.00 C ATOM 1549 C GLU A 107 -0.803 4.616 -4.802 1.00 0.00 C ATOM 1550 O GLU A 107 -1.693 3.777 -4.665 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.875 7.082 -4.387 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.232 7.175 -5.065 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.277 8.249 -6.134 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.555 8.112 -7.143 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.035 9.227 -5.962 1.00 0.00 O ATOM 0 H GLU A 107 1.349 6.457 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.289 5.546 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.813 7.845 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.097 7.306 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.477 6.212 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.995 7.382 -4.315 1.00 0.00 H new ATOM 1562 N ASP A 108 0.024 4.629 -5.842 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.068 3.635 -6.905 1.00 0.00 C ATOM 1564 C ASP A 108 -0.128 2.224 -6.327 1.00 0.00 C ATOM 1565 O ASP A 108 -0.803 1.349 -6.868 1.00 0.00 O ATOM 1566 CB ASP A 108 1.124 3.760 -7.854 1.00 0.00 C ATOM 1567 CG ASP A 108 0.803 3.276 -9.255 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.090 2.258 -9.382 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.263 3.916 -10.223 1.00 0.00 O ATOM 0 H ASP A 108 0.766 5.317 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.987 3.819 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.443 4.801 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.962 3.186 -7.458 1.00 0.00 H new ATOM 1574 N ALA A 109 0.584 2.012 -5.225 1.00 0.00 N ATOM 1575 CA ALA A 109 0.611 0.708 -4.572 1.00 0.00 C ATOM 1576 C ALA A 109 -0.773 0.322 -4.061 1.00 0.00 C ATOM 1577 O ALA A 109 -1.272 -0.765 -4.355 1.00 0.00 O ATOM 1578 CB ALA A 109 1.616 0.710 -3.431 1.00 0.00 C ATOM 0 H ALA A 109 1.150 2.726 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 109 0.917 -0.034 -5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.625 -0.269 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.609 0.933 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.335 1.468 -2.700 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.387 1.217 -3.294 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.713 0.968 -2.743 1.00 0.00 C ATOM 1586 C ILE A 110 -3.698 0.573 -3.838 1.00 0.00 C ATOM 1587 O ILE A 110 -4.232 -0.536 -3.838 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.255 2.204 -2.001 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.343 2.560 -0.825 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.676 1.952 -1.520 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.426 4.014 -0.415 1.00 0.00 C ATOM 0 H ILE A 110 -0.987 2.121 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.612 0.145 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.271 3.047 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.604 1.935 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.312 2.324 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.045 2.835 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.318 1.742 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.685 1.099 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.754 4.195 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.137 4.646 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.448 4.251 -0.118 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.935 1.489 -4.771 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.854 1.237 -5.875 1.00 0.00 C ATOM 1605 C LYS A 111 -4.598 -0.133 -6.494 1.00 0.00 C ATOM 1606 O LYS A 111 -5.497 -0.970 -6.568 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.712 2.325 -6.942 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.569 3.551 -6.677 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.818 4.591 -5.863 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.761 5.403 -4.990 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.945 4.785 -3.648 1.00 0.00 N ATOM 0 H LYS A 111 -3.503 2.413 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.870 1.254 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.667 2.629 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.980 1.908 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.884 3.988 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.474 3.256 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.075 4.097 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.277 5.258 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.369 6.413 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.728 5.491 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.526 5.411 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.421 3.866 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.017 4.646 -3.200 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.364 -0.357 -6.936 1.00 0.00 N ATOM 1626 CA ALA A 112 -2.990 -1.627 -7.546 1.00 0.00 C ATOM 1627 C ALA A 112 -3.521 -2.803 -6.734 1.00 0.00 C ATOM 1628 O ALA A 112 -3.957 -3.809 -7.293 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.477 -1.719 -7.685 1.00 0.00 C ATOM 0 H ALA A 112 -2.607 0.325 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.439 -1.672 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.211 -2.672 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.119 -0.903 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.016 -1.648 -6.700 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.480 -2.670 -5.412 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.959 -3.722 -4.524 1.00 0.00 C ATOM 1637 C ALA A 113 -5.451 -3.969 -4.719 1.00 0.00 C ATOM 1638 O ALA A 113 -5.854 -4.987 -5.284 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.667 -3.362 -3.075 1.00 0.00 C ATOM 0 H ALA A 113 -3.120 -1.845 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.430 -4.642 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.030 -4.156 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.592 -3.244 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.170 -2.428 -2.824 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.267 -3.033 -4.249 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.716 -3.149 -4.371 1.00 0.00 C ATOM 1647 C LEU A 114 -8.110 -3.600 -5.774 1.00 0.00 C ATOM 1648 O LEU A 114 -8.858 -4.563 -5.940 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.384 -1.811 -4.047 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.014 -1.184 -2.703 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.672 -2.263 -1.687 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.850 -0.217 -2.868 1.00 0.00 C ATOM 0 H LEU A 114 -5.950 -2.185 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.057 -3.900 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.134 -1.102 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.465 -1.951 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.875 -0.626 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.411 -1.798 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.533 -2.917 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.827 -2.848 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.600 0.220 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.985 -0.752 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.131 0.575 -3.562 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.599 -2.899 -6.781 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.893 -3.230 -8.170 1.00 0.00 C ATOM 1666 C ALA A 115 -7.713 -4.722 -8.428 1.00 0.00 C ATOM 1667 O ALA A 115 -8.684 -5.444 -8.656 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.007 -2.420 -9.104 1.00 0.00 C ATOM 0 H ALA A 115 -6.979 -2.098 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.935 -2.977 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.237 -2.677 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.188 -1.357 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.960 -2.645 -8.899 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.466 -5.178 -8.392 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.159 -6.585 -8.622 1.00 0.00 C ATOM 1676 C ASP A 116 -7.212 -7.483 -7.979 1.00 0.00 C ATOM 1677 O ASP A 116 -7.725 -8.406 -8.612 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.774 -6.924 -8.069 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.390 -8.369 -8.317 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -5.301 -9.217 -8.418 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.177 -8.652 -8.410 1.00 0.00 O ATOM 0 H ASP A 116 -5.651 -4.594 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.165 -6.762 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.033 -6.270 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.755 -6.725 -6.998 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.527 -7.207 -6.719 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.516 -7.991 -5.989 1.00 0.00 C ATOM 1688 C TYR A 117 -9.857 -7.989 -6.714 1.00 0.00 C ATOM 1689 O TYR A 117 -10.442 -9.042 -6.969 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.688 -7.442 -4.572 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.053 -7.713 -3.979 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.333 -8.921 -3.354 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.062 -6.760 -4.045 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.579 -9.173 -2.812 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.310 -7.002 -3.505 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.564 -8.210 -2.890 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.805 -8.457 -2.350 1.00 0.00 O ATOM 0 H TYR A 117 -7.112 -6.446 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.157 -9.019 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.927 -7.881 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.514 -6.366 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.564 -9.676 -3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.867 -5.813 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.781 -10.118 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.083 -6.250 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.383 -7.678 -2.488 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.341 -6.796 -7.046 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.613 -6.653 -7.744 1.00 0.00 C ATOM 1709 C LYS A 118 -11.609 -7.443 -9.049 1.00 0.00 C ATOM 1710 O LYS A 118 -12.554 -8.176 -9.345 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.897 -5.177 -8.031 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.091 -4.340 -6.778 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.006 -2.853 -7.082 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.478 -2.070 -5.890 1.00 0.00 C ATOM 1715 NZ LYS A 118 -11.699 -0.606 -6.047 1.00 0.00 N ATOM 0 H LYS A 118 -9.871 -5.914 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.399 -7.050 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.072 -4.763 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.791 -5.101 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.060 -4.567 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.333 -4.606 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.355 -2.693 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.993 -2.480 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.970 -2.416 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.412 -2.266 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.566 -0.134 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.019 -0.224 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.667 -0.435 -6.386 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.541 -7.292 -9.824 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.414 -7.993 -11.097 1.00 0.00 C ATOM 1731 C LEU A 119 -10.817 -9.458 -10.954 1.00 0.00 C ATOM 1732 O LEU A 119 -11.554 -9.994 -11.782 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.978 -7.895 -11.615 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.378 -6.490 -11.668 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.085 -6.491 -12.468 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.375 -5.506 -12.264 1.00 0.00 C ATOM 0 H LEU A 119 -9.750 -6.690 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.085 -7.519 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.342 -8.516 -10.984 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.945 -8.321 -12.618 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.151 -6.175 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.673 -5.482 -12.495 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.367 -7.164 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.287 -6.827 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.931 -4.511 -12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.634 -5.818 -13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.275 -5.483 -11.650 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.329 -10.099 -9.898 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.640 -11.501 -9.643 1.00 0.00 C ATOM 1750 C LYS A 120 -12.118 -11.679 -9.314 1.00 0.00 C ATOM 1751 O LYS A 120 -12.691 -12.743 -9.548 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.782 -12.034 -8.493 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.370 -11.475 -8.478 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.403 -12.421 -7.787 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.893 -13.491 -8.741 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.068 -14.513 -8.038 1.00 0.00 N ATOM 0 H LYS A 120 -9.716 -9.670 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.417 -12.067 -10.547 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.268 -11.795 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.733 -13.121 -8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.038 -11.297 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.365 -10.512 -7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.561 -11.855 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.898 -12.894 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.739 -13.978 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.300 -13.024 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.739 -15.224 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.247 -14.052 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.641 -14.977 -7.304 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.730 -10.631 -8.771 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.142 -10.674 -8.411 1.00 0.00 C ATOM 1772 C GLN A 121 -15.023 -10.597 -9.653 1.00 0.00 C ATOM 1773 O GLN A 121 -16.121 -11.153 -9.682 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.482 -9.526 -7.458 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.674 -9.545 -6.170 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.826 -10.845 -5.406 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.898 -11.147 -4.879 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.753 -11.623 -5.341 1.00 0.00 N ATOM 0 H GLN A 121 -12.270 -9.743 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.335 -11.623 -7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.313 -8.578 -7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.543 -9.571 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.621 -9.386 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.989 -8.716 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.885 -11.334 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.796 -12.510 -4.840 1.00 0.00 H new