USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 507 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 57 ASN : amide:sc= 0.62 K(o=2.6,f=-0.17) USER MOD Set 1.2: A 75 TYR OH : rot 130:sc= 0.525 USER MOD Set 1.3: A 81 ASN : amide:sc= 1.5 K(o=2.6,f=-0.24) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.97 USER MOD Set 2.2: A 85 SER OG : rot -74:sc= 1.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00159) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.431 K(o=0.43,f=-3.6!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.488 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.554 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.21) USER MOD Single : A 78 ASN : amide:sc= 0.048 K(o=0.048,f=-5.8!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.279 -5.099 -4.410 1.00 0.00 N ATOM 291 CA LYS A 20 -8.240 -5.439 -5.836 1.00 0.00 C ATOM 292 C LYS A 20 -7.532 -6.785 -6.016 1.00 0.00 C ATOM 293 O LYS A 20 -6.946 -7.310 -5.068 1.00 0.00 O ATOM 294 CB LYS A 20 -7.468 -4.348 -6.611 1.00 0.00 C ATOM 295 CG LYS A 20 -8.195 -3.008 -6.803 1.00 0.00 C ATOM 296 CD LYS A 20 -9.453 -3.132 -7.680 1.00 0.00 C ATOM 297 CE LYS A 20 -10.014 -1.760 -8.077 1.00 0.00 C ATOM 298 NZ LYS A 20 -10.599 -1.012 -6.937 1.00 0.00 N ATOM 0 HA LYS A 20 -9.258 -5.503 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.530 -4.157 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.212 -4.743 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.475 -2.609 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.511 -2.291 -7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.214 -3.700 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.216 -3.694 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.217 -1.165 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.777 -1.895 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.959 -0.096 -7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.380 -1.562 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.868 -0.854 -6.214 1.00 0.00 H new ATOM 312 N THR A 21 -7.537 -7.307 -7.242 1.00 0.00 N ATOM 313 CA THR A 21 -6.833 -8.519 -7.643 1.00 0.00 C ATOM 314 C THR A 21 -6.067 -8.197 -8.932 1.00 0.00 C ATOM 315 O THR A 21 -6.564 -7.447 -9.778 1.00 0.00 O ATOM 316 CB THR A 21 -7.855 -9.667 -7.764 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.431 -9.909 -6.491 1.00 0.00 O ATOM 318 CG2 THR A 21 -7.282 -11.001 -8.250 1.00 0.00 C ATOM 0 H THR A 21 -8.052 -6.879 -8.011 1.00 0.00 H new ATOM 0 HA THR A 21 -6.099 -8.856 -6.911 1.00 0.00 H new ATOM 0 HB THR A 21 -8.572 -9.329 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.083 -10.637 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.079 -11.742 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.844 -10.870 -9.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.514 -11.342 -7.556 1.00 0.00 H new ATOM 326 N PHE A 22 -4.850 -8.730 -9.056 1.00 0.00 N ATOM 327 CA PHE A 22 -3.879 -8.392 -10.092 1.00 0.00 C ATOM 328 C PHE A 22 -3.067 -9.635 -10.473 1.00 0.00 C ATOM 329 O PHE A 22 -3.052 -10.629 -9.744 1.00 0.00 O ATOM 330 CB PHE A 22 -2.902 -7.320 -9.568 1.00 0.00 C ATOM 331 CG PHE A 22 -3.513 -6.022 -9.070 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.120 -5.129 -9.974 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.425 -5.681 -7.706 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.633 -3.901 -9.517 1.00 0.00 C ATOM 335 CE2 PHE A 22 -3.926 -4.449 -7.252 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.528 -3.557 -8.158 1.00 0.00 C ATOM 0 H PHE A 22 -4.502 -9.438 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.419 -8.015 -10.961 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.323 -7.757 -8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.200 -7.081 -10.367 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.192 -5.387 -11.020 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.971 -6.368 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.108 -3.223 -10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.849 -4.187 -6.207 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.909 -2.608 -7.810 1.00 0.00 H new ATOM 346 N SER A 23 -2.337 -9.516 -11.580 1.00 0.00 N ATOM 347 CA SER A 23 -1.319 -10.435 -12.078 1.00 0.00 C ATOM 348 C SER A 23 -0.228 -9.563 -12.722 1.00 0.00 C ATOM 349 O SER A 23 -0.406 -8.345 -12.826 1.00 0.00 O ATOM 350 CB SER A 23 -1.918 -11.408 -13.104 1.00 0.00 C ATOM 351 OG SER A 23 -3.001 -12.150 -12.565 1.00 0.00 O ATOM 0 H SER A 23 -2.452 -8.713 -12.198 1.00 0.00 H new ATOM 0 HA SER A 23 -0.910 -11.044 -11.272 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.259 -10.850 -13.976 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.144 -12.094 -13.448 1.00 0.00 H new ATOM 0 HG SER A 23 -3.355 -12.756 -13.249 1.00 0.00 H new ATOM 357 N TYR A 24 0.880 -10.157 -13.174 1.00 0.00 N ATOM 358 CA TYR A 24 1.999 -9.432 -13.772 1.00 0.00 C ATOM 359 C TYR A 24 2.459 -10.159 -15.051 1.00 0.00 C ATOM 360 O TYR A 24 2.142 -11.345 -15.198 1.00 0.00 O ATOM 361 CB TYR A 24 3.143 -9.346 -12.748 1.00 0.00 C ATOM 362 CG TYR A 24 2.769 -8.727 -11.412 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.469 -7.354 -11.326 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.703 -9.533 -10.259 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.082 -6.789 -10.098 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.311 -8.977 -9.027 1.00 0.00 C ATOM 367 CZ TYR A 24 1.994 -7.602 -8.943 1.00 0.00 C ATOM 368 OH TYR A 24 1.613 -7.070 -7.748 1.00 0.00 O ATOM 0 H TYR A 24 1.025 -11.166 -13.133 1.00 0.00 H new ATOM 0 HA TYR A 24 1.693 -8.422 -14.044 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.527 -10.351 -12.570 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.957 -8.767 -13.184 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.536 -6.732 -12.207 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.954 -10.582 -10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.852 -5.736 -10.036 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.252 -9.600 -8.147 1.00 0.00 H new ATOM 0 HH TYR A 24 0.900 -7.618 -7.358 1.00 0.00 H new ATOM 378 N PRO A 25 3.218 -9.518 -15.965 1.00 0.00 N ATOM 379 CA PRO A 25 3.529 -8.088 -16.021 1.00 0.00 C ATOM 380 C PRO A 25 2.267 -7.216 -16.079 1.00 0.00 C ATOM 381 O PRO A 25 1.237 -7.637 -16.611 1.00 0.00 O ATOM 382 CB PRO A 25 4.373 -7.891 -17.288 1.00 0.00 C ATOM 383 CG PRO A 25 4.972 -9.271 -17.547 1.00 0.00 C ATOM 384 CD PRO A 25 3.865 -10.206 -17.073 1.00 0.00 C ATOM 0 HA PRO A 25 4.059 -7.782 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.763 -7.556 -18.127 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.149 -7.140 -17.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.206 -9.421 -18.601 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.897 -9.423 -16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.156 -10.411 -17.875 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.272 -11.166 -16.754 1.00 0.00 H new ATOM 392 N LEU A 26 2.349 -6.006 -15.522 1.00 0.00 N ATOM 393 CA LEU A 26 1.270 -5.024 -15.470 1.00 0.00 C ATOM 394 C LEU A 26 1.915 -3.652 -15.275 1.00 0.00 C ATOM 395 O LEU A 26 2.976 -3.556 -14.653 1.00 0.00 O ATOM 396 CB LEU A 26 0.333 -5.362 -14.291 1.00 0.00 C ATOM 397 CG LEU A 26 -0.860 -4.410 -14.076 1.00 0.00 C ATOM 398 CD1 LEU A 26 -1.798 -4.361 -15.290 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.663 -4.862 -12.851 1.00 0.00 C ATOM 0 H LEU A 26 3.204 -5.672 -15.078 1.00 0.00 H new ATOM 0 HA LEU A 26 0.678 -5.030 -16.385 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.055 -6.370 -14.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.926 -5.381 -13.377 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.450 -3.411 -13.927 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.621 -3.676 -15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.245 -4.014 -16.163 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.195 -5.358 -15.484 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.506 -4.188 -12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.032 -5.875 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.022 -4.845 -11.969 1.00 0.00 H new ATOM 411 N ASP A 27 1.280 -2.590 -15.773 1.00 0.00 N ATOM 412 CA ASP A 27 1.720 -1.205 -15.586 1.00 0.00 C ATOM 413 C ASP A 27 1.301 -0.692 -14.199 1.00 0.00 C ATOM 414 O ASP A 27 0.517 0.249 -14.060 1.00 0.00 O ATOM 415 CB ASP A 27 1.211 -0.322 -16.732 1.00 0.00 C ATOM 416 CG ASP A 27 1.748 1.113 -16.611 1.00 0.00 C ATOM 417 OD1 ASP A 27 2.982 1.301 -16.512 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.927 2.055 -16.654 1.00 0.00 O ATOM 0 H ASP A 27 0.428 -2.669 -16.329 1.00 0.00 H new ATOM 0 HA ASP A 27 2.809 -1.162 -15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.518 -0.748 -17.687 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.121 -0.307 -16.726 1.00 0.00 H new ATOM 423 N LEU A 28 1.787 -1.379 -13.164 1.00 0.00 N ATOM 424 CA LEU A 28 1.556 -1.140 -11.744 1.00 0.00 C ATOM 425 C LEU A 28 2.901 -1.382 -11.065 1.00 0.00 C ATOM 426 O LEU A 28 3.582 -2.356 -11.397 1.00 0.00 O ATOM 427 CB LEU A 28 0.488 -2.128 -11.232 1.00 0.00 C ATOM 428 CG LEU A 28 0.288 -2.148 -9.701 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.161 -0.789 -9.151 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.756 -3.209 -9.334 1.00 0.00 C ATOM 0 H LEU A 28 2.401 -2.180 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 28 1.193 -0.133 -11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.464 -1.884 -11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.758 -3.132 -11.560 1.00 0.00 H new ATOM 0 HG LEU A 28 1.252 -2.385 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.287 -0.857 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.593 -0.036 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.108 -0.506 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.897 -3.223 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.702 -2.972 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.412 -4.188 -9.667 1.00 0.00 H new ATOM 442 N LEU A 29 3.300 -0.507 -10.140 1.00 0.00 N ATOM 443 CA LEU A 29 4.621 -0.545 -9.517 1.00 0.00 C ATOM 444 C LEU A 29 4.467 -0.079 -8.074 1.00 0.00 C ATOM 445 O LEU A 29 3.640 0.790 -7.787 1.00 0.00 O ATOM 446 CB LEU A 29 5.579 0.337 -10.354 1.00 0.00 C ATOM 447 CG LEU A 29 7.105 0.171 -10.158 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.684 1.061 -9.055 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.546 -1.283 -9.952 1.00 0.00 C ATOM 0 H LEU A 29 2.710 0.253 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 29 5.050 -1.547 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.360 0.157 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.331 1.379 -10.151 1.00 0.00 H new ATOM 0 HG LEU A 29 7.522 0.509 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.758 0.890 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.500 2.108 -9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.207 0.820 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.628 -1.320 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.059 -1.689 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.265 -1.875 -10.823 1.00 0.00 H new ATOM 461 N LEU A 30 5.254 -0.657 -7.167 1.00 0.00 N ATOM 462 CA LEU A 30 5.215 -0.419 -5.726 1.00 0.00 C ATOM 463 C LEU A 30 6.652 -0.142 -5.267 1.00 0.00 C ATOM 464 O LEU A 30 7.593 -0.629 -5.901 1.00 0.00 O ATOM 465 CB LEU A 30 4.686 -1.661 -4.983 1.00 0.00 C ATOM 466 CG LEU A 30 3.352 -2.282 -5.449 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.078 -3.536 -4.616 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.153 -1.340 -5.320 1.00 0.00 C ATOM 0 H LEU A 30 5.969 -1.335 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 30 4.555 0.420 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.451 -2.435 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.580 -1.398 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 30 3.464 -2.508 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.138 -3.986 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.889 -4.251 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.012 -3.266 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.253 -1.847 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.028 -1.051 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.323 -0.449 -5.925 1.00 0.00 H new ATOM 480 N LYS A 31 6.841 0.596 -4.168 1.00 0.00 N ATOM 481 CA LYS A 31 8.171 0.946 -3.653 1.00 0.00 C ATOM 482 C LYS A 31 8.189 0.906 -2.131 1.00 0.00 C ATOM 483 O LYS A 31 7.144 1.064 -1.504 1.00 0.00 O ATOM 484 CB LYS A 31 8.626 2.307 -4.226 1.00 0.00 C ATOM 485 CG LYS A 31 7.774 3.547 -3.877 1.00 0.00 C ATOM 486 CD LYS A 31 8.117 4.197 -2.523 1.00 0.00 C ATOM 487 CE LYS A 31 7.356 5.515 -2.297 1.00 0.00 C ATOM 488 NZ LYS A 31 7.861 6.632 -3.140 1.00 0.00 N ATOM 0 H LYS A 31 6.074 0.969 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 31 8.894 0.203 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.645 2.492 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.664 2.219 -5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.898 4.291 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.722 3.260 -3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.880 3.501 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.189 4.387 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.298 5.358 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.433 5.797 -1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.321 7.496 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.867 6.794 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.748 6.387 -4.144 1.00 0.00 H new ATOM 502 N LEU A 32 9.373 0.717 -1.545 1.00 0.00 N ATOM 503 CA LEU A 32 9.604 0.732 -0.100 1.00 0.00 C ATOM 504 C LEU A 32 9.951 2.164 0.312 1.00 0.00 C ATOM 505 O LEU A 32 10.865 2.754 -0.269 1.00 0.00 O ATOM 506 CB LEU A 32 10.774 -0.224 0.214 1.00 0.00 C ATOM 507 CG LEU A 32 11.203 -0.305 1.696 1.00 0.00 C ATOM 508 CD1 LEU A 32 10.084 -0.850 2.590 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.427 -1.221 1.822 1.00 0.00 C ATOM 0 H LEU A 32 10.224 0.544 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 32 8.721 0.405 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.499 -1.225 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.637 0.083 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 32 11.439 0.707 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.430 -0.890 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.214 -0.196 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.811 -1.852 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.732 -1.280 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.174 -2.218 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.246 -0.817 1.227 1.00 0.00 H new ATOM 521 N HIS A 33 9.267 2.717 1.315 1.00 0.00 N ATOM 522 CA HIS A 33 9.615 3.982 1.958 1.00 0.00 C ATOM 523 C HIS A 33 9.000 3.989 3.360 1.00 0.00 C ATOM 524 O HIS A 33 7.918 3.438 3.558 1.00 0.00 O ATOM 525 CB HIS A 33 9.111 5.180 1.136 1.00 0.00 C ATOM 526 CG HIS A 33 9.527 6.514 1.706 1.00 0.00 C ATOM 527 ND1 HIS A 33 10.771 7.097 1.602 1.00 0.00 N ATOM 528 CD2 HIS A 33 8.745 7.363 2.443 1.00 0.00 C ATOM 529 CE1 HIS A 33 10.738 8.270 2.257 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.518 8.479 2.790 1.00 0.00 N ATOM 0 H HIS A 33 8.433 2.284 1.712 1.00 0.00 H new ATOM 0 HA HIS A 33 10.699 4.074 2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.487 5.096 0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.023 5.141 1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.711 7.200 2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.572 8.950 2.344 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.218 9.287 3.336 1.00 0.00 H new ATOM 538 N ASP A 34 9.682 4.595 4.336 1.00 0.00 N ATOM 539 CA ASP A 34 9.260 4.622 5.746 1.00 0.00 C ATOM 540 C ASP A 34 8.953 3.206 6.268 1.00 0.00 C ATOM 541 O ASP A 34 7.999 2.978 7.012 1.00 0.00 O ATOM 542 CB ASP A 34 8.116 5.633 5.939 1.00 0.00 C ATOM 543 CG ASP A 34 7.729 5.812 7.416 1.00 0.00 C ATOM 544 OD1 ASP A 34 8.613 6.114 8.251 1.00 0.00 O ATOM 545 OD2 ASP A 34 6.522 5.713 7.736 1.00 0.00 O ATOM 0 H ASP A 34 10.558 5.090 4.169 1.00 0.00 H new ATOM 0 HA ASP A 34 10.084 4.975 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.414 6.597 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.244 5.301 5.376 1.00 0.00 H new ATOM 550 N GLU A 35 9.765 2.237 5.819 1.00 0.00 N ATOM 551 CA GLU A 35 9.673 0.800 6.098 1.00 0.00 C ATOM 552 C GLU A 35 8.312 0.169 5.747 1.00 0.00 C ATOM 553 O GLU A 35 8.011 -0.938 6.199 1.00 0.00 O ATOM 554 CB GLU A 35 10.125 0.493 7.539 1.00 0.00 C ATOM 555 CG GLU A 35 11.550 0.986 7.836 1.00 0.00 C ATOM 556 CD GLU A 35 12.069 0.468 9.189 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.359 0.596 10.211 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.205 -0.056 9.245 1.00 0.00 O ATOM 0 H GLU A 35 10.555 2.453 5.211 1.00 0.00 H new ATOM 0 HA GLU A 35 10.369 0.311 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.431 0.959 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.075 -0.583 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.220 0.658 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.564 2.076 7.836 1.00 0.00 H new ATOM 565 N ARG A 36 7.488 0.828 4.925 1.00 0.00 N ATOM 566 CA ARG A 36 6.223 0.303 4.413 1.00 0.00 C ATOM 567 C ARG A 36 6.294 0.290 2.888 1.00 0.00 C ATOM 568 O ARG A 36 7.138 0.962 2.295 1.00 0.00 O ATOM 569 CB ARG A 36 5.034 1.144 4.928 1.00 0.00 C ATOM 570 CG ARG A 36 4.462 0.680 6.282 1.00 0.00 C ATOM 571 CD ARG A 36 5.318 0.992 7.522 1.00 0.00 C ATOM 572 NE ARG A 36 5.291 2.420 7.876 1.00 0.00 N ATOM 573 CZ ARG A 36 4.294 3.041 8.519 1.00 0.00 C ATOM 574 NH1 ARG A 36 3.312 2.341 9.083 1.00 0.00 N ATOM 575 NH2 ARG A 36 4.281 4.365 8.588 1.00 0.00 N ATOM 0 H ARG A 36 7.692 1.769 4.589 1.00 0.00 H new ATOM 0 HA ARG A 36 6.062 -0.714 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.352 2.182 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.238 1.119 4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.483 1.140 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.304 -0.398 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.958 0.404 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.347 0.686 7.336 1.00 0.00 H new ATOM 0 HE ARG A 36 6.098 2.983 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.315 1.323 9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.557 2.823 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.028 4.906 8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.524 4.843 9.077 1.00 0.00 H new ATOM 589 N VAL A 37 5.419 -0.477 2.239 1.00 0.00 N ATOM 590 CA VAL A 37 5.333 -0.482 0.784 1.00 0.00 C ATOM 591 C VAL A 37 4.192 0.454 0.398 1.00 0.00 C ATOM 592 O VAL A 37 3.110 0.395 0.989 1.00 0.00 O ATOM 593 CB VAL A 37 5.180 -1.918 0.248 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.021 -1.954 -1.277 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.429 -2.734 0.610 1.00 0.00 C ATOM 0 H VAL A 37 4.760 -1.103 2.701 1.00 0.00 H new ATOM 0 HA VAL A 37 6.250 -0.115 0.322 1.00 0.00 H new ATOM 0 HB VAL A 37 4.282 -2.336 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.917 -2.987 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.134 -1.390 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.900 -1.510 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.322 -3.750 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.308 -2.271 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.545 -2.761 1.694 1.00 0.00 H new ATOM 605 N LEU A 38 4.436 1.307 -0.595 1.00 0.00 N ATOM 606 CA LEU A 38 3.484 2.272 -1.125 1.00 0.00 C ATOM 607 C LEU A 38 3.306 1.977 -2.609 1.00 0.00 C ATOM 608 O LEU A 38 4.243 1.523 -3.273 1.00 0.00 O ATOM 609 CB LEU A 38 3.981 3.728 -0.983 1.00 0.00 C ATOM 610 CG LEU A 38 4.249 4.316 0.418 1.00 0.00 C ATOM 611 CD1 LEU A 38 3.088 4.116 1.394 1.00 0.00 C ATOM 612 CD2 LEU A 38 5.540 3.790 1.050 1.00 0.00 C ATOM 0 H LEU A 38 5.339 1.344 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 38 2.554 2.179 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.906 3.812 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.247 4.370 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 38 4.360 5.385 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.344 4.553 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.195 4.602 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.897 3.050 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.673 4.240 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.480 2.706 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.387 4.048 0.415 1.00 0.00 H new ATOM 624 N VAL A 39 2.127 2.277 -3.146 1.00 0.00 N ATOM 625 CA VAL A 39 1.873 2.253 -4.578 1.00 0.00 C ATOM 626 C VAL A 39 2.694 3.387 -5.201 1.00 0.00 C ATOM 627 O VAL A 39 2.480 4.553 -4.872 1.00 0.00 O ATOM 628 CB VAL A 39 0.358 2.381 -4.840 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.036 2.311 -6.340 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.460 1.288 -4.128 1.00 0.00 C ATOM 0 H VAL A 39 1.314 2.546 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 39 2.177 1.312 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 39 0.078 3.355 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.040 2.405 -6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.545 3.123 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.375 1.356 -6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.519 1.426 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.141 0.307 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.300 1.356 -3.052 1.00 0.00 H new ATOM 640 N ALA A 40 3.645 3.057 -6.077 1.00 0.00 N ATOM 641 CA ALA A 40 4.530 4.037 -6.698 1.00 0.00 C ATOM 642 C ALA A 40 3.862 4.716 -7.897 1.00 0.00 C ATOM 643 O ALA A 40 4.165 5.872 -8.193 1.00 0.00 O ATOM 644 CB ALA A 40 5.818 3.345 -7.146 1.00 0.00 C ATOM 0 H ALA A 40 3.821 2.098 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 40 4.757 4.808 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.481 4.075 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.313 2.903 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.579 2.562 -7.866 1.00 0.00 H new ATOM 650 N PHE A 41 2.954 4.013 -8.578 1.00 0.00 N ATOM 651 CA PHE A 41 2.146 4.531 -9.675 1.00 0.00 C ATOM 652 C PHE A 41 0.872 3.693 -9.742 1.00 0.00 C ATOM 653 O PHE A 41 0.939 2.472 -9.588 1.00 0.00 O ATOM 654 CB PHE A 41 2.927 4.426 -10.993 1.00 0.00 C ATOM 655 CG PHE A 41 2.194 5.005 -12.189 1.00 0.00 C ATOM 656 CD1 PHE A 41 2.192 6.397 -12.405 1.00 0.00 C ATOM 657 CD2 PHE A 41 1.511 4.159 -13.086 1.00 0.00 C ATOM 658 CE1 PHE A 41 1.521 6.939 -13.516 1.00 0.00 C ATOM 659 CE2 PHE A 41 0.839 4.704 -14.194 1.00 0.00 C ATOM 660 CZ PHE A 41 0.847 6.093 -14.413 1.00 0.00 C ATOM 0 H PHE A 41 2.757 3.034 -8.370 1.00 0.00 H new ATOM 0 HA PHE A 41 1.900 5.580 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.882 4.940 -10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.151 3.377 -11.189 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.707 7.050 -11.716 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.504 3.092 -12.922 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.524 8.006 -13.680 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.315 4.054 -14.879 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.336 6.509 -15.269 1.00 0.00 H new ATOM 780 N VAL A 49 -1.811 5.596 -6.287 1.00 0.00 N ATOM 781 CA VAL A 49 -0.467 6.088 -5.997 1.00 0.00 C ATOM 782 C VAL A 49 -0.416 6.737 -4.602 1.00 0.00 C ATOM 783 O VAL A 49 -1.355 7.415 -4.175 1.00 0.00 O ATOM 784 CB VAL A 49 -0.001 7.012 -7.141 1.00 0.00 C ATOM 785 CG1 VAL A 49 -0.942 8.199 -7.406 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.425 7.528 -6.917 1.00 0.00 C ATOM 0 HA VAL A 49 0.241 5.260 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.021 6.380 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.546 8.801 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.931 7.827 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.017 8.811 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.712 8.175 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.465 8.093 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.113 6.684 -6.860 1.00 0.00 H new ATOM 796 N GLY A 50 0.665 6.485 -3.862 1.00 0.00 N ATOM 797 CA GLY A 50 0.912 7.070 -2.551 1.00 0.00 C ATOM 798 C GLY A 50 0.229 6.305 -1.416 1.00 0.00 C ATOM 799 O GLY A 50 0.585 6.515 -0.256 1.00 0.00 O ATOM 0 H GLY A 50 1.406 5.855 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.986 7.097 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.562 8.102 -2.548 1.00 0.00 H new ATOM 803 N HIS A 51 -0.739 5.430 -1.715 1.00 0.00 N ATOM 804 CA HIS A 51 -1.425 4.643 -0.699 1.00 0.00 C ATOM 805 C HIS A 51 -0.509 3.501 -0.265 1.00 0.00 C ATOM 806 O HIS A 51 0.295 3.003 -1.055 1.00 0.00 O ATOM 807 CB HIS A 51 -2.775 4.143 -1.229 1.00 0.00 C ATOM 808 CG HIS A 51 -3.740 5.283 -1.466 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.682 6.234 -2.465 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.763 5.649 -0.636 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.650 7.134 -2.246 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.324 6.837 -1.118 1.00 0.00 N ATOM 0 H HIS A 51 -1.063 5.253 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.645 5.257 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.621 3.597 -2.160 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.209 3.441 -0.516 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -3.016 6.249 -3.238 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.084 5.111 0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.861 7.979 -2.884 1.00 0.00 H new ATOM 820 N ALA A 52 -0.622 3.105 1.000 1.00 0.00 N ATOM 821 CA ALA A 52 0.168 2.048 1.601 1.00 0.00 C ATOM 822 C ALA A 52 -0.493 0.706 1.324 1.00 0.00 C ATOM 823 O ALA A 52 -1.719 0.604 1.375 1.00 0.00 O ATOM 824 CB ALA A 52 0.238 2.293 3.112 1.00 0.00 C ATOM 0 H ALA A 52 -1.286 3.526 1.649 1.00 0.00 H new ATOM 0 HA ALA A 52 1.174 2.041 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.829 1.507 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.704 3.260 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.769 2.287 3.529 1.00 0.00 H new ATOM 830 N VAL A 53 0.306 -0.327 1.063 1.00 0.00 N ATOM 831 CA VAL A 53 -0.181 -1.698 1.003 1.00 0.00 C ATOM 832 C VAL A 53 -0.480 -2.121 2.447 1.00 0.00 C ATOM 833 O VAL A 53 0.260 -1.766 3.368 1.00 0.00 O ATOM 834 CB VAL A 53 0.857 -2.602 0.303 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.387 -4.063 0.238 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.127 -2.115 -1.131 1.00 0.00 C ATOM 0 H VAL A 53 1.307 -0.234 0.888 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.091 -1.788 0.410 1.00 0.00 H new ATOM 0 HB VAL A 53 1.770 -2.546 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.144 -4.667 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.230 -4.440 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.548 -4.120 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.861 -2.767 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.200 -2.137 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.512 -1.096 -1.103 1.00 0.00 H new ATOM 846 N LEU A 54 -1.563 -2.877 2.646 1.00 0.00 N ATOM 847 CA LEU A 54 -2.089 -3.237 3.961 1.00 0.00 C ATOM 848 C LEU A 54 -2.312 -4.741 4.071 1.00 0.00 C ATOM 849 O LEU A 54 -2.150 -5.275 5.165 1.00 0.00 O ATOM 850 CB LEU A 54 -3.417 -2.500 4.239 1.00 0.00 C ATOM 851 CG LEU A 54 -3.344 -0.960 4.255 1.00 0.00 C ATOM 852 CD1 LEU A 54 -4.757 -0.376 4.357 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.487 -0.413 5.404 1.00 0.00 C ATOM 0 H LEU A 54 -2.110 -3.264 1.877 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.349 -2.936 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.142 -2.802 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.801 -2.836 5.202 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.868 -0.657 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.701 0.712 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.347 -0.700 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.229 -0.724 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.474 0.676 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.908 -0.734 6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.469 -0.792 5.311 1.00 0.00 H new ATOM 865 N ALA A 55 -2.633 -5.454 2.984 1.00 0.00 N ATOM 866 CA ALA A 55 -2.639 -6.918 2.994 1.00 0.00 C ATOM 867 C ALA A 55 -2.389 -7.452 1.589 1.00 0.00 C ATOM 868 O ALA A 55 -2.644 -6.748 0.610 1.00 0.00 O ATOM 869 CB ALA A 55 -3.963 -7.474 3.545 1.00 0.00 C ATOM 0 H ALA A 55 -2.891 -5.039 2.089 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.838 -7.251 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.931 -8.564 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.108 -7.122 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.789 -7.131 2.922 1.00 0.00 H new ATOM 875 N ILE A 56 -1.941 -8.705 1.489 1.00 0.00 N ATOM 876 CA ILE A 56 -1.776 -9.427 0.228 1.00 0.00 C ATOM 877 C ILE A 56 -2.223 -10.859 0.497 1.00 0.00 C ATOM 878 O ILE A 56 -1.834 -11.437 1.508 1.00 0.00 O ATOM 879 CB ILE A 56 -0.313 -9.404 -0.271 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.211 -7.963 -0.429 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.211 -10.162 -1.613 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.701 -7.886 -0.741 1.00 0.00 C ATOM 0 H ILE A 56 -1.677 -9.259 2.304 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.368 -8.955 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 56 0.309 -9.898 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.345 -7.469 -1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.012 -7.410 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.821 -10.145 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.529 -11.195 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.853 -9.682 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.999 -6.842 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.266 -8.351 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.905 -8.410 -1.675 1.00 0.00 H new ATOM 894 N ASN A 57 -3.012 -11.446 -0.405 1.00 0.00 N ATOM 895 CA ASN A 57 -3.564 -12.803 -0.302 1.00 0.00 C ATOM 896 C ASN A 57 -4.249 -13.049 1.058 1.00 0.00 C ATOM 897 O ASN A 57 -4.266 -14.173 1.562 1.00 0.00 O ATOM 898 CB ASN A 57 -2.482 -13.857 -0.627 1.00 0.00 C ATOM 899 CG ASN A 57 -1.915 -13.760 -2.039 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.567 -13.281 -2.966 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.684 -14.210 -2.227 1.00 0.00 N ATOM 0 H ASN A 57 -3.297 -10.972 -1.262 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.350 -12.905 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.665 -13.754 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.906 -14.851 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.260 -14.163 -3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.160 -14.604 -1.445 1.00 0.00 H new ATOM 908 N GLY A 58 -4.782 -11.989 1.678 1.00 0.00 N ATOM 909 CA GLY A 58 -5.429 -12.027 2.988 1.00 0.00 C ATOM 910 C GLY A 58 -4.449 -11.921 4.162 1.00 0.00 C ATOM 911 O GLY A 58 -4.891 -11.749 5.300 1.00 0.00 O ATOM 0 H GLY A 58 -4.773 -11.056 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.149 -11.211 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.992 -12.956 3.079 1.00 0.00 H new ATOM 915 N MET A 59 -3.136 -12.001 3.922 1.00 0.00 N ATOM 916 CA MET A 59 -2.110 -11.784 4.932 1.00 0.00 C ATOM 917 C MET A 59 -1.962 -10.281 5.157 1.00 0.00 C ATOM 918 O MET A 59 -1.441 -9.571 4.296 1.00 0.00 O ATOM 919 CB MET A 59 -0.758 -12.369 4.498 1.00 0.00 C ATOM 920 CG MET A 59 -0.766 -13.889 4.328 1.00 0.00 C ATOM 921 SD MET A 59 0.886 -14.561 4.000 1.00 0.00 S ATOM 922 CE MET A 59 0.477 -16.320 3.845 1.00 0.00 C ATOM 0 H MET A 59 -2.756 -12.223 3.002 1.00 0.00 H new ATOM 0 HA MET A 59 -2.412 -12.287 5.850 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.460 -11.909 3.556 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.003 -12.100 5.237 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.170 -14.350 5.230 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.433 -14.156 3.508 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.385 -16.888 3.640 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.030 -16.673 4.774 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.230 -16.458 3.027 1.00 0.00 H new ATOM 932 N ASP A 60 -2.421 -9.807 6.312 1.00 0.00 N ATOM 933 CA ASP A 60 -2.194 -8.455 6.820 1.00 0.00 C ATOM 934 C ASP A 60 -0.692 -8.155 6.835 1.00 0.00 C ATOM 935 O ASP A 60 0.074 -8.816 7.536 1.00 0.00 O ATOM 936 CB ASP A 60 -2.792 -8.335 8.227 1.00 0.00 C ATOM 937 CG ASP A 60 -2.476 -6.974 8.867 1.00 0.00 C ATOM 938 OD1 ASP A 60 -3.112 -5.966 8.486 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.643 -6.917 9.798 1.00 0.00 O ATOM 0 H ASP A 60 -2.983 -10.375 6.945 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.681 -7.727 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.872 -8.470 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.400 -9.133 8.858 1.00 0.00 H new ATOM 944 N VAL A 61 -0.258 -7.202 6.016 1.00 0.00 N ATOM 945 CA VAL A 61 1.123 -6.756 5.941 1.00 0.00 C ATOM 946 C VAL A 61 1.423 -5.901 7.173 1.00 0.00 C ATOM 947 O VAL A 61 0.603 -5.100 7.629 1.00 0.00 O ATOM 948 CB VAL A 61 1.338 -6.028 4.597 1.00 0.00 C ATOM 949 CG1 VAL A 61 2.599 -5.163 4.501 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.320 -7.031 3.432 1.00 0.00 C ATOM 0 H VAL A 61 -0.875 -6.708 5.371 1.00 0.00 H new ATOM 0 HA VAL A 61 1.829 -7.587 5.957 1.00 0.00 H new ATOM 0 HB VAL A 61 0.502 -5.332 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.648 -4.700 3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.567 -4.387 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.480 -5.786 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.473 -6.500 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.116 -7.763 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.358 -7.543 3.407 1.00 0.00 H new ATOM 960 N ASN A 62 2.643 -6.062 7.673 1.00 0.00 N ATOM 961 CA ASN A 62 3.241 -5.332 8.766 1.00 0.00 C ATOM 962 C ASN A 62 4.543 -4.772 8.212 1.00 0.00 C ATOM 963 O ASN A 62 5.438 -5.529 7.840 1.00 0.00 O ATOM 964 CB ASN A 62 3.509 -6.279 9.943 1.00 0.00 C ATOM 965 CG ASN A 62 4.407 -5.609 10.973 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.225 -4.440 11.293 1.00 0.00 O ATOM 967 ND2 ASN A 62 5.396 -6.316 11.493 1.00 0.00 N ATOM 0 H ASN A 62 3.281 -6.760 7.291 1.00 0.00 H new ATOM 0 HA ASN A 62 2.593 -4.538 9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.566 -6.568 10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.979 -7.193 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.025 -5.890 12.174 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.530 -7.288 11.213 1.00 0.00 H new ATOM 974 N GLY A 63 4.631 -3.451 8.096 1.00 0.00 N ATOM 975 CA GLY A 63 5.784 -2.799 7.492 1.00 0.00 C ATOM 976 C GLY A 63 5.831 -3.155 6.010 1.00 0.00 C ATOM 977 O GLY A 63 4.915 -2.806 5.263 1.00 0.00 O ATOM 0 H GLY A 63 3.908 -2.806 8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.715 -1.719 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.701 -3.120 7.986 1.00 0.00 H new ATOM 981 N ARG A 64 6.856 -3.900 5.595 1.00 0.00 N ATOM 982 CA ARG A 64 7.006 -4.413 4.232 1.00 0.00 C ATOM 983 C ARG A 64 6.982 -5.939 4.225 1.00 0.00 C ATOM 984 O ARG A 64 7.554 -6.547 3.320 1.00 0.00 O ATOM 985 CB ARG A 64 8.283 -3.844 3.583 1.00 0.00 C ATOM 986 CG ARG A 64 9.587 -4.311 4.256 1.00 0.00 C ATOM 987 CD ARG A 64 10.744 -4.439 3.260 1.00 0.00 C ATOM 988 NE ARG A 64 11.936 -4.987 3.924 1.00 0.00 N ATOM 989 CZ ARG A 64 12.980 -5.591 3.348 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.079 -5.680 2.024 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.920 -6.109 4.131 1.00 0.00 N ATOM 0 H ARG A 64 7.623 -4.170 6.211 1.00 0.00 H new ATOM 0 HA ARG A 64 6.160 -4.079 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.304 -4.133 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.240 -2.755 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.862 -3.605 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.419 -5.273 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.451 -5.087 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.974 -3.463 2.834 1.00 0.00 H new ATOM 0 HE ARG A 64 11.970 -4.896 4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.351 -5.283 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.883 -6.145 1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.834 -6.040 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.728 -6.576 3.718 1.00 0.00 H new ATOM 1005 N TYR A 65 6.385 -6.564 5.234 1.00 0.00 N ATOM 1006 CA TYR A 65 6.474 -7.997 5.460 1.00 0.00 C ATOM 1007 C TYR A 65 5.043 -8.507 5.568 1.00 0.00 C ATOM 1008 O TYR A 65 4.204 -7.818 6.147 1.00 0.00 O ATOM 1009 CB TYR A 65 7.285 -8.260 6.741 1.00 0.00 C ATOM 1010 CG TYR A 65 8.635 -7.555 6.792 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.761 -8.131 6.171 1.00 0.00 C ATOM 1012 CD2 TYR A 65 8.760 -6.300 7.425 1.00 0.00 C ATOM 1013 CE1 TYR A 65 10.999 -7.463 6.191 1.00 0.00 C ATOM 1014 CE2 TYR A 65 9.988 -5.611 7.421 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.121 -6.204 6.819 1.00 0.00 C ATOM 1016 OH TYR A 65 12.319 -5.554 6.787 1.00 0.00 O ATOM 0 H TYR A 65 5.817 -6.078 5.928 1.00 0.00 H new ATOM 0 HA TYR A 65 6.987 -8.517 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.693 -7.946 7.601 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.446 -9.333 6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.673 -9.088 5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.904 -5.863 7.918 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.861 -7.916 5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.064 -4.634 7.876 1.00 0.00 H new ATOM 0 HH TYR A 65 12.241 -4.700 7.262 1.00 0.00 H new ATOM 1026 N THR A 66 4.716 -9.669 5.006 1.00 0.00 N ATOM 1027 CA THR A 66 3.386 -10.241 5.189 1.00 0.00 C ATOM 1028 C THR A 66 3.190 -10.658 6.655 1.00 0.00 C ATOM 1029 O THR A 66 4.116 -10.613 7.472 1.00 0.00 O ATOM 1030 CB THR A 66 3.187 -11.445 4.250 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.178 -12.431 4.476 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.231 -11.036 2.781 1.00 0.00 C ATOM 0 H THR A 66 5.345 -10.226 4.428 1.00 0.00 H new ATOM 0 HA THR A 66 2.640 -9.487 4.940 1.00 0.00 H new ATOM 0 HB THR A 66 2.201 -11.852 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.031 -13.187 3.870 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.086 -11.916 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.440 -10.314 2.581 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.198 -10.586 2.557 1.00 0.00 H new ATOM 1040 N ALA A 67 1.986 -11.137 6.967 1.00 0.00 N ATOM 1041 CA ALA A 67 1.689 -11.775 8.243 1.00 0.00 C ATOM 1042 C ALA A 67 2.622 -12.969 8.487 1.00 0.00 C ATOM 1043 O ALA A 67 3.075 -13.186 9.611 1.00 0.00 O ATOM 1044 CB ALA A 67 0.234 -12.248 8.231 1.00 0.00 C ATOM 0 H ALA A 67 1.186 -11.091 6.335 1.00 0.00 H new ATOM 0 HA ALA A 67 1.843 -11.055 9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.001 -12.728 9.181 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.425 -11.393 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.090 -12.961 7.419 1.00 0.00 H new ATOM 1050 N ASP A 68 2.908 -13.734 7.428 1.00 0.00 N ATOM 1051 CA ASP A 68 3.845 -14.856 7.471 1.00 0.00 C ATOM 1052 C ASP A 68 5.288 -14.364 7.627 1.00 0.00 C ATOM 1053 O ASP A 68 6.053 -14.948 8.398 1.00 0.00 O ATOM 1054 CB ASP A 68 3.715 -15.704 6.203 1.00 0.00 C ATOM 1055 CG ASP A 68 4.743 -16.843 6.211 1.00 0.00 C ATOM 1056 OD1 ASP A 68 4.505 -17.875 6.878 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.785 -16.711 5.533 1.00 0.00 O ATOM 0 H ASP A 68 2.490 -13.588 6.509 1.00 0.00 H new ATOM 0 HA ASP A 68 3.597 -15.469 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.708 -16.116 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.864 -15.078 5.323 1.00 0.00 H new ATOM 1062 N GLY A 69 5.643 -13.269 6.944 1.00 0.00 N ATOM 1063 CA GLY A 69 6.909 -12.559 7.112 1.00 0.00 C ATOM 1064 C GLY A 69 7.646 -12.293 5.796 1.00 0.00 C ATOM 1065 O GLY A 69 8.714 -11.680 5.822 1.00 0.00 O ATOM 0 H GLY A 69 5.039 -12.844 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.719 -11.608 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.556 -13.139 7.770 1.00 0.00 H new ATOM 1069 N LYS A 70 7.124 -12.758 4.654 1.00 0.00 N ATOM 1070 CA LYS A 70 7.754 -12.585 3.348 1.00 0.00 C ATOM 1071 C LYS A 70 7.872 -11.096 3.042 1.00 0.00 C ATOM 1072 O LYS A 70 6.897 -10.363 3.210 1.00 0.00 O ATOM 1073 CB LYS A 70 6.910 -13.275 2.263 1.00 0.00 C ATOM 1074 CG LYS A 70 6.705 -14.784 2.474 1.00 0.00 C ATOM 1075 CD LYS A 70 7.995 -15.581 2.238 1.00 0.00 C ATOM 1076 CE LYS A 70 7.757 -17.082 2.436 1.00 0.00 C ATOM 1077 NZ LYS A 70 7.808 -17.498 3.857 1.00 0.00 N ATOM 0 H LYS A 70 6.243 -13.270 4.615 1.00 0.00 H new ATOM 0 HA LYS A 70 8.747 -13.035 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.934 -12.792 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.387 -13.118 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.350 -14.963 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.929 -15.142 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.361 -15.397 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.769 -15.238 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.785 -17.347 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.506 -17.639 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.980 -18.522 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.577 -16.991 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.903 -17.274 4.317 1.00 0.00 H new ATOM 1091 N GLU A 71 9.040 -10.655 2.581 1.00 0.00 N ATOM 1092 CA GLU A 71 9.255 -9.310 2.075 1.00 0.00 C ATOM 1093 C GLU A 71 8.307 -9.112 0.892 1.00 0.00 C ATOM 1094 O GLU A 71 8.379 -9.858 -0.083 1.00 0.00 O ATOM 1095 CB GLU A 71 10.714 -9.115 1.626 1.00 0.00 C ATOM 1096 CG GLU A 71 11.751 -9.160 2.762 1.00 0.00 C ATOM 1097 CD GLU A 71 12.032 -10.556 3.366 1.00 0.00 C ATOM 1098 OE1 GLU A 71 11.681 -11.598 2.766 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.641 -10.614 4.459 1.00 0.00 O ATOM 0 H GLU A 71 9.877 -11.237 2.550 1.00 0.00 H new ATOM 0 HA GLU A 71 9.058 -8.579 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.961 -9.887 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.797 -8.156 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.690 -8.752 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.414 -8.501 3.562 1.00 0.00 H new ATOM 1106 N VAL A 72 7.419 -8.126 0.976 1.00 0.00 N ATOM 1107 CA VAL A 72 6.315 -7.914 0.046 1.00 0.00 C ATOM 1108 C VAL A 72 6.804 -7.827 -1.403 1.00 0.00 C ATOM 1109 O VAL A 72 6.208 -8.445 -2.285 1.00 0.00 O ATOM 1110 CB VAL A 72 5.541 -6.660 0.512 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.714 -5.993 -0.597 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.633 -7.019 1.699 1.00 0.00 C ATOM 0 H VAL A 72 7.450 -7.428 1.719 1.00 0.00 H new ATOM 0 HA VAL A 72 5.636 -8.767 0.054 1.00 0.00 H new ATOM 0 HB VAL A 72 6.292 -5.930 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.200 -5.121 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.374 -5.682 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.980 -6.702 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.090 -6.131 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.923 -7.788 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.241 -7.393 2.522 1.00 0.00 H new ATOM 1122 N LEU A 73 7.886 -7.087 -1.665 1.00 0.00 N ATOM 1123 CA LEU A 73 8.333 -6.868 -3.037 1.00 0.00 C ATOM 1124 C LEU A 73 8.843 -8.176 -3.647 1.00 0.00 C ATOM 1125 O LEU A 73 8.570 -8.452 -4.815 1.00 0.00 O ATOM 1126 CB LEU A 73 9.400 -5.760 -3.104 1.00 0.00 C ATOM 1127 CG LEU A 73 8.913 -4.364 -2.656 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.067 -3.359 -2.733 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.737 -3.837 -3.491 1.00 0.00 C ATOM 0 H LEU A 73 8.460 -6.636 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 73 7.481 -6.531 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.246 -6.051 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.767 -5.690 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 73 8.562 -4.475 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.716 -2.377 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.877 -3.684 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.430 -3.300 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.443 -2.853 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.038 -3.761 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.894 -4.523 -3.405 1.00 0.00 H new ATOM 1141 N GLU A 74 9.536 -9.011 -2.867 1.00 0.00 N ATOM 1142 CA GLU A 74 10.018 -10.309 -3.336 1.00 0.00 C ATOM 1143 C GLU A 74 8.855 -11.303 -3.436 1.00 0.00 C ATOM 1144 O GLU A 74 8.789 -12.077 -4.390 1.00 0.00 O ATOM 1145 CB GLU A 74 11.116 -10.847 -2.403 1.00 0.00 C ATOM 1146 CG GLU A 74 12.386 -9.984 -2.459 1.00 0.00 C ATOM 1147 CD GLU A 74 13.541 -10.600 -1.648 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.151 -11.594 -2.105 1.00 0.00 O ATOM 1149 OE2 GLU A 74 13.880 -10.074 -0.564 1.00 0.00 O ATOM 0 H GLU A 74 9.777 -8.806 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 74 10.449 -10.182 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.741 -10.876 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.360 -11.872 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.696 -9.863 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.164 -8.988 -2.075 1.00 0.00 H new ATOM 1156 N TYR A 75 7.912 -11.252 -2.491 1.00 0.00 N ATOM 1157 CA TYR A 75 6.723 -12.094 -2.466 1.00 0.00 C ATOM 1158 C TYR A 75 5.903 -11.891 -3.739 1.00 0.00 C ATOM 1159 O TYR A 75 5.472 -12.868 -4.352 1.00 0.00 O ATOM 1160 CB TYR A 75 5.898 -11.760 -1.212 1.00 0.00 C ATOM 1161 CG TYR A 75 4.678 -12.629 -0.971 1.00 0.00 C ATOM 1162 CD1 TYR A 75 4.829 -14.009 -0.735 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.392 -12.052 -0.935 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.707 -14.813 -0.463 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.266 -12.850 -0.664 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.416 -14.235 -0.426 1.00 0.00 C ATOM 1167 OH TYR A 75 1.312 -14.998 -0.181 1.00 0.00 O ATOM 0 H TYR A 75 7.960 -10.605 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 75 7.014 -13.144 -2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.550 -11.833 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.573 -10.722 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.813 -14.453 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.271 -10.994 -1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.831 -15.871 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.283 -12.403 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 75 0.777 -14.581 0.526 1.00 0.00 H new ATOM 1177 N LEU A 76 5.713 -10.637 -4.157 1.00 0.00 N ATOM 1178 CA LEU A 76 5.000 -10.292 -5.384 1.00 0.00 C ATOM 1179 C LEU A 76 5.863 -10.571 -6.616 1.00 0.00 C ATOM 1180 O LEU A 76 5.334 -10.965 -7.655 1.00 0.00 O ATOM 1181 CB LEU A 76 4.615 -8.803 -5.351 1.00 0.00 C ATOM 1182 CG LEU A 76 3.528 -8.460 -4.313 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.364 -6.942 -4.232 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.186 -9.099 -4.671 1.00 0.00 C ATOM 0 H LEU A 76 6.055 -9.824 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 76 4.102 -10.907 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.506 -8.212 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.265 -8.507 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 76 3.844 -8.858 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.596 -6.698 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.309 -6.489 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.070 -6.555 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.445 -8.835 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.858 -8.735 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.297 -10.183 -4.707 1.00 0.00 H new ATOM 1196 N GLY A 77 7.180 -10.367 -6.511 1.00 0.00 N ATOM 1197 CA GLY A 77 8.120 -10.589 -7.601 1.00 0.00 C ATOM 1198 C GLY A 77 8.197 -12.061 -8.013 1.00 0.00 C ATOM 1199 O GLY A 77 8.386 -12.349 -9.194 1.00 0.00 O ATOM 0 H GLY A 77 7.623 -10.039 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.823 -9.989 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.110 -10.247 -7.299 1.00 0.00 H new ATOM 1203 N ASN A 78 8.040 -12.988 -7.061 1.00 0.00 N ATOM 1204 CA ASN A 78 8.019 -14.429 -7.300 1.00 0.00 C ATOM 1205 C ASN A 78 6.863 -14.790 -8.248 1.00 0.00 C ATOM 1206 O ASN A 78 5.706 -14.648 -7.843 1.00 0.00 O ATOM 1207 CB ASN A 78 7.856 -15.161 -5.955 1.00 0.00 C ATOM 1208 CG ASN A 78 7.752 -16.679 -6.101 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.897 -17.243 -7.182 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.491 -17.377 -5.009 1.00 0.00 N ATOM 0 H ASN A 78 7.921 -12.746 -6.077 1.00 0.00 H new ATOM 0 HA ASN A 78 8.955 -14.736 -7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.705 -14.922 -5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.963 -14.789 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.409 -18.392 -5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.372 -16.900 -4.115 1.00 0.00 H new ATOM 1217 N PRO A 79 7.108 -15.295 -9.473 1.00 0.00 N ATOM 1218 CA PRO A 79 6.035 -15.570 -10.418 1.00 0.00 C ATOM 1219 C PRO A 79 5.157 -16.762 -10.030 1.00 0.00 C ATOM 1220 O PRO A 79 4.038 -16.863 -10.534 1.00 0.00 O ATOM 1221 CB PRO A 79 6.700 -15.702 -11.783 1.00 0.00 C ATOM 1222 CG PRO A 79 8.091 -16.231 -11.432 1.00 0.00 C ATOM 1223 CD PRO A 79 8.400 -15.558 -10.093 1.00 0.00 C ATOM 0 HA PRO A 79 5.312 -14.754 -10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.158 -16.389 -12.432 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.750 -14.745 -12.303 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.098 -17.318 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.825 -15.967 -12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.012 -16.204 -9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.959 -14.634 -10.240 1.00 0.00 H new ATOM 1231 N ALA A 80 5.586 -17.616 -9.089 1.00 0.00 N ATOM 1232 CA ALA A 80 4.709 -18.637 -8.509 1.00 0.00 C ATOM 1233 C ALA A 80 3.538 -17.987 -7.746 1.00 0.00 C ATOM 1234 O ALA A 80 2.556 -18.657 -7.421 1.00 0.00 O ATOM 1235 CB ALA A 80 5.509 -19.533 -7.559 1.00 0.00 C ATOM 0 H ALA A 80 6.535 -17.618 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 80 4.301 -19.239 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.851 -20.289 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.313 -20.021 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.933 -18.927 -6.758 1.00 0.00 H new ATOM 1241 N ASN A 81 3.648 -16.685 -7.461 1.00 0.00 N ATOM 1242 CA ASN A 81 2.717 -15.854 -6.717 1.00 0.00 C ATOM 1243 C ASN A 81 2.515 -14.532 -7.481 1.00 0.00 C ATOM 1244 O ASN A 81 2.389 -13.468 -6.881 1.00 0.00 O ATOM 1245 CB ASN A 81 3.292 -15.660 -5.306 1.00 0.00 C ATOM 1246 CG ASN A 81 2.370 -14.870 -4.383 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.187 -15.171 -4.236 1.00 0.00 O ATOM 1248 ND2 ASN A 81 2.915 -13.876 -3.709 1.00 0.00 N ATOM 0 H ASN A 81 4.458 -16.150 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 81 1.733 -16.313 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.488 -16.637 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.250 -15.145 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.353 -13.339 -3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.899 -13.645 -3.848 1.00 0.00 H new ATOM 1255 N TYR A 82 2.550 -14.573 -8.822 1.00 0.00 N ATOM 1256 CA TYR A 82 2.158 -13.434 -9.652 1.00 0.00 C ATOM 1257 C TYR A 82 0.664 -13.105 -9.480 1.00 0.00 C ATOM 1258 O TYR A 82 0.373 -11.943 -9.198 1.00 0.00 O ATOM 1259 CB TYR A 82 2.501 -13.672 -11.138 1.00 0.00 C ATOM 1260 CG TYR A 82 3.763 -13.042 -11.717 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.753 -12.410 -10.929 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.927 -13.081 -13.116 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.874 -11.815 -11.534 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.042 -12.483 -13.728 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.022 -11.842 -12.940 1.00 0.00 C ATOM 1266 OH TYR A 82 7.096 -11.259 -13.543 1.00 0.00 O ATOM 0 H TYR A 82 2.849 -15.391 -9.353 1.00 0.00 H new ATOM 0 HA TYR A 82 2.733 -12.573 -9.312 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.571 -14.749 -11.291 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.656 -13.321 -11.731 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.647 -12.384 -9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.186 -13.577 -13.726 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.625 -11.336 -10.923 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.149 -12.514 -14.802 1.00 0.00 H new ATOM 0 HH TYR A 82 7.031 -11.378 -14.514 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.293 -14.044 -9.642 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.702 -13.740 -9.418 1.00 0.00 C ATOM 1278 C PRO A 83 -1.951 -13.575 -7.914 1.00 0.00 C ATOM 1279 O PRO A 83 -1.659 -14.488 -7.136 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.488 -14.906 -10.025 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.509 -16.078 -9.966 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.144 -15.411 -10.132 1.00 0.00 C ATOM 0 HA PRO A 83 -2.016 -12.806 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.395 -15.114 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.794 -14.692 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.581 -16.614 -9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.701 -16.802 -10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.621 -15.945 -9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.167 -15.418 -11.177 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.491 -12.427 -7.499 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.653 -12.055 -6.094 1.00 0.00 C ATOM 1292 C VAL A 84 -3.854 -11.133 -5.911 1.00 0.00 C ATOM 1293 O VAL A 84 -4.314 -10.501 -6.863 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.396 -11.314 -5.570 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.190 -12.244 -5.458 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.021 -10.087 -6.420 1.00 0.00 C ATOM 0 H VAL A 84 -2.835 -11.716 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.802 -12.978 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.667 -10.961 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.668 -11.684 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.419 -13.056 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.043 -12.657 -6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.134 -9.612 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.816 -10.402 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.848 -9.377 -6.418 1.00 0.00 H new ATOM 1306 N SER A 85 -4.289 -10.990 -4.662 1.00 0.00 N ATOM 1307 CA SER A 85 -5.263 -9.996 -4.240 1.00 0.00 C ATOM 1308 C SER A 85 -4.544 -9.114 -3.225 1.00 0.00 C ATOM 1309 O SER A 85 -3.742 -9.624 -2.441 1.00 0.00 O ATOM 1310 CB SER A 85 -6.511 -10.668 -3.664 1.00 0.00 C ATOM 1311 OG SER A 85 -7.128 -11.513 -4.621 1.00 0.00 O ATOM 0 H SER A 85 -3.963 -11.580 -3.897 1.00 0.00 H new ATOM 0 HA SER A 85 -5.624 -9.393 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.240 -11.250 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.219 -9.906 -3.338 1.00 0.00 H new ATOM 0 HG SER A 85 -7.594 -10.967 -5.288 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.780 -7.803 -3.255 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.042 -6.821 -2.468 1.00 0.00 C ATOM 1319 C ILE A 86 -5.071 -5.850 -1.898 1.00 0.00 C ATOM 1320 O ILE A 86 -6.000 -5.439 -2.597 1.00 0.00 O ATOM 1321 CB ILE A 86 -2.967 -6.096 -3.325 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.030 -7.115 -4.021 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.152 -5.106 -2.463 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.827 -6.510 -4.753 1.00 0.00 C ATOM 0 H ILE A 86 -5.505 -7.387 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.492 -7.305 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.484 -5.529 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.663 -7.816 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.616 -7.692 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.406 -4.611 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.821 -4.360 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.653 -5.648 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.237 -7.308 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.178 -5.833 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.209 -5.959 -4.044 1.00 0.00 H new ATOM 1336 N ARG A 87 -4.873 -5.463 -0.640 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.634 -4.430 0.048 1.00 0.00 C ATOM 1338 C ARG A 87 -4.651 -3.313 0.351 1.00 0.00 C ATOM 1339 O ARG A 87 -3.537 -3.597 0.800 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.246 -5.018 1.329 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.305 -4.096 1.947 1.00 0.00 C ATOM 1342 CD ARG A 87 -7.856 -4.714 3.235 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.938 -3.894 3.795 1.00 0.00 N ATOM 1344 CZ ARG A 87 -10.243 -3.984 3.519 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.726 -4.875 2.656 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -11.053 -3.141 4.143 1.00 0.00 N ATOM 0 H ARG A 87 -4.150 -5.878 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.460 -4.048 -0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.697 -5.984 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.455 -5.198 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.868 -3.120 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.116 -3.934 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.226 -5.719 3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.054 -4.812 3.967 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.664 -3.178 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.094 -5.519 2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.728 -4.914 2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.673 -2.461 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.057 -3.172 3.965 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.050 -2.066 0.121 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.216 -0.880 0.277 1.00 0.00 C ATOM 1362 C PHE A 88 -5.102 0.278 0.737 1.00 0.00 C ATOM 1363 O PHE A 88 -6.327 0.207 0.627 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.498 -0.555 -1.051 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.389 -0.575 -2.281 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.325 0.455 -2.500 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.315 -1.654 -3.185 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -6.218 0.377 -3.582 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.213 -1.733 -4.263 1.00 0.00 C ATOM 1370 CZ PHE A 88 -6.175 -0.727 -4.452 1.00 0.00 C ATOM 0 H PHE A 88 -5.996 -1.846 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.444 -1.054 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.040 0.431 -0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.689 -1.271 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.356 1.306 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.567 -2.421 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.938 1.165 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.163 -2.568 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.882 -0.801 -5.265 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.511 1.355 1.246 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.270 2.478 1.770 1.00 0.00 C ATOM 1382 C GLY A 89 -4.372 3.562 2.331 1.00 0.00 C ATOM 1383 O GLY A 89 -3.160 3.553 2.113 1.00 0.00 O ATOM 0 H GLY A 89 -3.499 1.471 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.891 2.896 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.944 2.126 2.551 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.965 4.526 3.036 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.189 5.524 3.767 1.00 0.00 C ATOM 1389 C ARG A 90 -3.295 4.791 4.779 1.00 0.00 C ATOM 1390 O ARG A 90 -3.755 3.782 5.331 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.112 6.534 4.477 1.00 0.00 C ATOM 1392 CG ARG A 90 -6.106 7.284 3.566 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.504 7.868 2.280 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.369 8.772 2.542 1.00 0.00 N ATOM 1395 CZ ARG A 90 -3.401 9.085 1.670 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.416 8.602 0.429 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -2.408 9.882 2.051 1.00 0.00 N ATOM 0 H ARG A 90 -5.976 4.636 3.115 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.572 6.092 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.678 6.005 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.491 7.269 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.910 6.601 3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.557 8.095 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.173 7.053 1.636 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.277 8.410 1.736 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.316 9.196 3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.171 7.985 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.672 8.849 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.386 10.251 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.668 10.125 1.393 1.00 0.00 H new