USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 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= 0.161 K(o=1.3,f=-4.3!) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.4: A 81 ASN : amide:sc= 1.11 K(o=1.3,f=-4.8) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 37:sc= 0.0618 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+ -176:sc= 0 (180deg=-0.01) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0238 K(o=-0.024,f=-0.75) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.535 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.24) USER MOD Single : A 78 ASN : amide:sc= -0.0181 K(o=-0.018,f=-5.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.863 -5.934 -4.609 1.00 0.00 N ATOM 291 CA LYS A 20 -8.948 -6.359 -6.004 1.00 0.00 C ATOM 292 C LYS A 20 -7.842 -7.371 -6.297 1.00 0.00 C ATOM 293 O LYS A 20 -6.811 -7.388 -5.616 1.00 0.00 O ATOM 294 CB LYS A 20 -8.829 -5.117 -6.914 1.00 0.00 C ATOM 295 CG LYS A 20 -9.363 -5.341 -8.340 1.00 0.00 C ATOM 296 CD LYS A 20 -9.141 -4.125 -9.256 1.00 0.00 C ATOM 297 CE LYS A 20 -9.886 -2.848 -8.831 1.00 0.00 C ATOM 298 NZ LYS A 20 -11.363 -2.976 -8.936 1.00 0.00 N ATOM 0 HA LYS A 20 -9.906 -6.841 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.373 -4.290 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.782 -4.818 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.872 -6.212 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.429 -5.566 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.073 -3.909 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.451 -4.389 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.620 -2.604 -7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.554 -2.016 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.811 -2.086 -8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.624 -3.181 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.689 -3.750 -8.323 1.00 0.00 H new ATOM 312 N THR A 21 -8.069 -8.215 -7.295 1.00 0.00 N ATOM 313 CA THR A 21 -7.075 -9.099 -7.869 1.00 0.00 C ATOM 314 C THR A 21 -6.093 -8.273 -8.713 1.00 0.00 C ATOM 315 O THR A 21 -6.487 -7.300 -9.363 1.00 0.00 O ATOM 316 CB THR A 21 -7.784 -10.184 -8.703 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.926 -9.658 -9.368 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.255 -11.329 -7.799 1.00 0.00 C ATOM 0 H THR A 21 -8.983 -8.302 -7.739 1.00 0.00 H new ATOM 0 HA THR A 21 -6.504 -9.599 -7.087 1.00 0.00 H new ATOM 0 HB THR A 21 -7.064 -10.546 -9.437 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.739 -8.743 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.754 -12.087 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.396 -11.773 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.951 -10.942 -7.055 1.00 0.00 H new ATOM 326 N PHE A 22 -4.818 -8.665 -8.725 1.00 0.00 N ATOM 327 CA PHE A 22 -3.766 -8.068 -9.539 1.00 0.00 C ATOM 328 C PHE A 22 -2.853 -9.182 -10.063 1.00 0.00 C ATOM 329 O PHE A 22 -2.839 -10.291 -9.523 1.00 0.00 O ATOM 330 CB PHE A 22 -2.967 -7.040 -8.718 1.00 0.00 C ATOM 331 CG PHE A 22 -3.775 -5.847 -8.232 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.031 -4.767 -9.098 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.286 -5.821 -6.920 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.789 -3.668 -8.656 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.042 -4.722 -6.477 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.297 -3.647 -7.345 1.00 0.00 C ATOM 0 H PHE A 22 -4.481 -9.434 -8.147 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.209 -7.540 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.533 -7.544 -7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.138 -6.677 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.644 -4.783 -10.106 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.096 -6.648 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.981 -2.841 -9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.427 -4.704 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.883 -2.805 -7.006 1.00 0.00 H new ATOM 346 N SER A 23 -2.081 -8.856 -11.097 1.00 0.00 N ATOM 347 CA SER A 23 -1.093 -9.697 -11.765 1.00 0.00 C ATOM 348 C SER A 23 0.017 -8.763 -12.268 1.00 0.00 C ATOM 349 O SER A 23 -0.119 -7.542 -12.147 1.00 0.00 O ATOM 350 CB SER A 23 -1.729 -10.454 -12.941 1.00 0.00 C ATOM 351 OG SER A 23 -2.823 -11.260 -12.529 1.00 0.00 O ATOM 0 H SER A 23 -2.134 -7.929 -11.520 1.00 0.00 H new ATOM 0 HA SER A 23 -0.695 -10.445 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.068 -9.739 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.976 -11.082 -13.417 1.00 0.00 H new ATOM 0 HG SER A 23 -3.200 -11.723 -13.307 1.00 0.00 H new ATOM 357 N TYR A 24 1.095 -9.304 -12.844 1.00 0.00 N ATOM 358 CA TYR A 24 2.217 -8.515 -13.347 1.00 0.00 C ATOM 359 C TYR A 24 2.669 -9.071 -14.709 1.00 0.00 C ATOM 360 O TYR A 24 2.473 -10.265 -14.955 1.00 0.00 O ATOM 361 CB TYR A 24 3.364 -8.568 -12.326 1.00 0.00 C ATOM 362 CG TYR A 24 2.978 -8.117 -10.929 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.701 -6.759 -10.680 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.832 -9.065 -9.896 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.250 -6.348 -9.413 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.370 -8.664 -8.628 1.00 0.00 C ATOM 367 CZ TYR A 24 2.069 -7.304 -8.386 1.00 0.00 C ATOM 368 OH TYR A 24 1.603 -6.924 -7.165 1.00 0.00 O ATOM 0 H TYR A 24 1.212 -10.309 -12.974 1.00 0.00 H new ATOM 0 HA TYR A 24 1.915 -7.477 -13.484 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.742 -9.589 -12.274 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.182 -7.943 -12.684 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.835 -6.030 -11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.075 -10.101 -10.078 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.042 -5.305 -9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.246 -9.394 -7.842 1.00 0.00 H new ATOM 0 HH TYR A 24 0.858 -7.504 -6.904 1.00 0.00 H new ATOM 378 N PRO A 25 3.277 -8.255 -15.594 1.00 0.00 N ATOM 379 CA PRO A 25 3.385 -6.800 -15.496 1.00 0.00 C ATOM 380 C PRO A 25 2.003 -6.147 -15.665 1.00 0.00 C ATOM 381 O PRO A 25 1.107 -6.716 -16.296 1.00 0.00 O ATOM 382 CB PRO A 25 4.349 -6.392 -16.617 1.00 0.00 C ATOM 383 CG PRO A 25 4.140 -7.469 -17.679 1.00 0.00 C ATOM 384 CD PRO A 25 3.843 -8.721 -16.854 1.00 0.00 C ATOM 0 HA PRO A 25 3.754 -6.474 -14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.119 -5.399 -17.002 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.382 -6.367 -16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.314 -7.221 -18.346 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.025 -7.598 -18.301 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.144 -9.374 -17.376 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.751 -9.298 -16.682 1.00 0.00 H new ATOM 392 N LEU A 26 1.821 -4.965 -15.072 1.00 0.00 N ATOM 393 CA LEU A 26 0.553 -4.238 -15.011 1.00 0.00 C ATOM 394 C LEU A 26 0.860 -2.767 -14.697 1.00 0.00 C ATOM 395 O LEU A 26 2.000 -2.428 -14.366 1.00 0.00 O ATOM 396 CB LEU A 26 -0.329 -4.894 -13.923 1.00 0.00 C ATOM 397 CG LEU A 26 -1.777 -4.389 -13.764 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.571 -4.447 -15.074 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.500 -5.231 -12.708 1.00 0.00 C ATOM 0 H LEU A 26 2.581 -4.471 -14.604 1.00 0.00 H new ATOM 0 HA LEU A 26 0.011 -4.278 -15.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.369 -5.964 -14.126 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.175 -4.770 -12.965 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.719 -3.345 -13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.583 -4.080 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.082 -3.826 -15.824 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.614 -5.477 -15.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.524 -4.874 -12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.512 -6.275 -13.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.979 -5.144 -11.754 1.00 0.00 H new ATOM 411 N ASP A 27 -0.146 -1.894 -14.781 1.00 0.00 N ATOM 412 CA ASP A 27 -0.049 -0.482 -14.396 1.00 0.00 C ATOM 413 C ASP A 27 0.369 -0.309 -12.929 1.00 0.00 C ATOM 414 O ASP A 27 1.088 0.634 -12.602 1.00 0.00 O ATOM 415 CB ASP A 27 -1.402 0.200 -14.629 1.00 0.00 C ATOM 416 CG ASP A 27 -1.356 1.690 -14.264 1.00 0.00 C ATOM 417 OD1 ASP A 27 -0.769 2.476 -15.039 1.00 0.00 O ATOM 418 OD2 ASP A 27 -1.963 2.085 -13.246 1.00 0.00 O ATOM 0 H ASP A 27 -1.070 -2.153 -15.126 1.00 0.00 H new ATOM 0 HA ASP A 27 0.722 -0.020 -15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.690 0.090 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.168 -0.297 -14.034 1.00 0.00 H new ATOM 423 N LEU A 28 -0.047 -1.231 -12.050 1.00 0.00 N ATOM 424 CA LEU A 28 0.356 -1.251 -10.647 1.00 0.00 C ATOM 425 C LEU A 28 1.872 -1.452 -10.544 1.00 0.00 C ATOM 426 O LEU A 28 2.407 -2.423 -11.085 1.00 0.00 O ATOM 427 CB LEU A 28 -0.398 -2.370 -9.901 1.00 0.00 C ATOM 428 CG LEU A 28 -0.014 -2.497 -8.410 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.310 -1.213 -7.626 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.777 -3.660 -7.769 1.00 0.00 C ATOM 0 H LEU A 28 -0.680 -1.990 -12.301 1.00 0.00 H new ATOM 0 HA LEU A 28 0.103 -0.298 -10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.470 -2.185 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.203 -3.320 -10.398 1.00 0.00 H new ATOM 0 HG LEU A 28 1.060 -2.680 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.024 -1.349 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.258 -0.387 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.375 -0.989 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.500 -3.742 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.849 -3.480 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.526 -4.587 -8.284 1.00 0.00 H new ATOM 442 N LEU A 29 2.548 -0.583 -9.790 1.00 0.00 N ATOM 443 CA LEU A 29 3.962 -0.677 -9.439 1.00 0.00 C ATOM 444 C LEU A 29 4.103 -0.190 -8.000 1.00 0.00 C ATOM 445 O LEU A 29 3.333 0.669 -7.565 1.00 0.00 O ATOM 446 CB LEU A 29 4.789 0.189 -10.407 1.00 0.00 C ATOM 447 CG LEU A 29 6.317 0.137 -10.205 1.00 0.00 C ATOM 448 CD1 LEU A 29 6.889 -1.269 -10.429 1.00 0.00 C ATOM 449 CD2 LEU A 29 6.990 1.116 -11.170 1.00 0.00 C ATOM 0 H LEU A 29 2.102 0.243 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 29 4.329 -1.700 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.564 -0.122 -11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.462 1.224 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 29 6.520 0.414 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.968 -1.252 -10.275 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.433 -1.964 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.673 -1.592 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.070 1.081 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.749 0.839 -12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.631 2.126 -10.973 1.00 0.00 H new ATOM 461 N LEU A 30 5.085 -0.705 -7.261 1.00 0.00 N ATOM 462 CA LEU A 30 5.230 -0.504 -5.821 1.00 0.00 C ATOM 463 C LEU A 30 6.676 -0.118 -5.493 1.00 0.00 C ATOM 464 O LEU A 30 7.588 -0.486 -6.239 1.00 0.00 O ATOM 465 CB LEU A 30 4.881 -1.809 -5.084 1.00 0.00 C ATOM 466 CG LEU A 30 3.454 -2.360 -5.273 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.307 -3.657 -4.477 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.372 -1.374 -4.829 1.00 0.00 C ATOM 0 H LEU A 30 5.821 -1.289 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 30 4.558 0.294 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.586 -2.577 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.044 -1.650 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 30 3.314 -2.536 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.299 -4.051 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.032 -4.388 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.485 -3.458 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.389 -1.818 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.501 -1.144 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.454 -0.457 -5.413 1.00 0.00 H new ATOM 480 N LYS A 31 6.901 0.573 -4.368 1.00 0.00 N ATOM 481 CA LYS A 31 8.243 0.876 -3.849 1.00 0.00 C ATOM 482 C LYS A 31 8.252 0.799 -2.327 1.00 0.00 C ATOM 483 O LYS A 31 7.208 0.995 -1.708 1.00 0.00 O ATOM 484 CB LYS A 31 8.735 2.244 -4.374 1.00 0.00 C ATOM 485 CG LYS A 31 7.944 3.497 -3.933 1.00 0.00 C ATOM 486 CD LYS A 31 8.401 4.108 -2.594 1.00 0.00 C ATOM 487 CE LYS A 31 7.709 5.452 -2.304 1.00 0.00 C ATOM 488 NZ LYS A 31 8.194 6.558 -3.171 1.00 0.00 N ATOM 0 H LYS A 31 6.149 0.942 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 31 8.945 0.126 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.772 2.372 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.732 2.209 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.029 4.256 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.889 3.235 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.187 3.409 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.481 4.254 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.634 5.337 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.871 5.719 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.741 7.449 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.226 6.647 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.955 6.353 -4.162 1.00 0.00 H new ATOM 502 N LEU A 32 9.418 0.547 -1.728 1.00 0.00 N ATOM 503 CA LEU A 32 9.628 0.525 -0.278 1.00 0.00 C ATOM 504 C LEU A 32 10.121 1.907 0.144 1.00 0.00 C ATOM 505 O LEU A 32 11.059 2.431 -0.462 1.00 0.00 O ATOM 506 CB LEU A 32 10.651 -0.586 0.057 1.00 0.00 C ATOM 507 CG LEU A 32 11.174 -0.755 1.505 1.00 0.00 C ATOM 508 CD1 LEU A 32 12.291 0.217 1.903 1.00 0.00 C ATOM 509 CD2 LEU A 32 10.078 -0.721 2.571 1.00 0.00 C ATOM 0 H LEU A 32 10.268 0.346 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 32 8.709 0.304 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.204 -1.536 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.519 -0.429 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 32 11.601 -1.758 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.592 0.023 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.147 0.078 1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.929 1.242 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.525 -0.846 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.557 0.236 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.369 -1.529 2.390 1.00 0.00 H new ATOM 521 N HIS A 33 9.515 2.490 1.180 1.00 0.00 N ATOM 522 CA HIS A 33 9.992 3.697 1.843 1.00 0.00 C ATOM 523 C HIS A 33 9.501 3.662 3.292 1.00 0.00 C ATOM 524 O HIS A 33 8.354 3.296 3.543 1.00 0.00 O ATOM 525 CB HIS A 33 9.471 4.949 1.118 1.00 0.00 C ATOM 526 CG HIS A 33 9.958 6.238 1.733 1.00 0.00 C ATOM 527 ND1 HIS A 33 9.283 7.012 2.652 1.00 0.00 N ATOM 528 CD2 HIS A 33 11.164 6.845 1.502 1.00 0.00 C ATOM 529 CE1 HIS A 33 10.065 8.057 2.969 1.00 0.00 C ATOM 530 NE2 HIS A 33 11.228 8.002 2.290 1.00 0.00 N ATOM 0 H HIS A 33 8.656 2.123 1.589 1.00 0.00 H new ATOM 0 HA HIS A 33 11.081 3.738 1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.782 4.912 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.381 4.939 1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.932 6.493 0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.799 8.834 3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.999 8.668 2.340 1.00 0.00 H new ATOM 538 N ASP A 34 10.362 4.058 4.236 1.00 0.00 N ATOM 539 CA ASP A 34 10.082 4.115 5.676 1.00 0.00 C ATOM 540 C ASP A 34 9.350 2.864 6.192 1.00 0.00 C ATOM 541 O ASP A 34 8.317 2.942 6.857 1.00 0.00 O ATOM 542 CB ASP A 34 9.384 5.434 6.040 1.00 0.00 C ATOM 543 CG ASP A 34 9.246 5.597 7.563 1.00 0.00 C ATOM 544 OD1 ASP A 34 10.270 5.534 8.282 1.00 0.00 O ATOM 545 OD2 ASP A 34 8.117 5.842 8.043 1.00 0.00 O ATOM 0 H ASP A 34 11.310 4.359 4.010 1.00 0.00 H new ATOM 0 HA ASP A 34 11.036 4.106 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.951 6.271 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.397 5.464 5.579 1.00 0.00 H new ATOM 550 N GLU A 35 9.884 1.692 5.829 1.00 0.00 N ATOM 551 CA GLU A 35 9.390 0.364 6.211 1.00 0.00 C ATOM 552 C GLU A 35 7.949 0.058 5.758 1.00 0.00 C ATOM 553 O GLU A 35 7.362 -0.928 6.208 1.00 0.00 O ATOM 554 CB GLU A 35 9.604 0.115 7.724 1.00 0.00 C ATOM 555 CG GLU A 35 11.078 0.163 8.163 1.00 0.00 C ATOM 556 CD GLU A 35 11.953 -0.864 7.427 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.512 -2.009 7.197 1.00 0.00 O ATOM 558 OE2 GLU A 35 13.097 -0.539 7.039 1.00 0.00 O ATOM 0 H GLU A 35 10.710 1.641 5.233 1.00 0.00 H new ATOM 0 HA GLU A 35 9.995 -0.353 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.043 0.861 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.190 -0.859 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.473 1.163 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.139 -0.018 9.236 1.00 0.00 H new ATOM 565 N ARG A 36 7.375 0.840 4.839 1.00 0.00 N ATOM 566 CA ARG A 36 6.094 0.546 4.201 1.00 0.00 C ATOM 567 C ARG A 36 6.322 0.356 2.710 1.00 0.00 C ATOM 568 O ARG A 36 7.278 0.895 2.153 1.00 0.00 O ATOM 569 CB ARG A 36 5.088 1.693 4.434 1.00 0.00 C ATOM 570 CG ARG A 36 4.217 1.528 5.689 1.00 0.00 C ATOM 571 CD ARG A 36 4.940 1.712 7.033 1.00 0.00 C ATOM 572 NE ARG A 36 5.494 3.066 7.221 1.00 0.00 N ATOM 573 CZ ARG A 36 4.804 4.182 7.492 1.00 0.00 C ATOM 574 NH1 ARG A 36 3.475 4.187 7.514 1.00 0.00 N ATOM 575 NH2 ARG A 36 5.430 5.318 7.751 1.00 0.00 N ATOM 0 H ARG A 36 7.797 1.710 4.514 1.00 0.00 H new ATOM 0 HA ARG A 36 5.678 -0.362 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.637 2.632 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.438 1.772 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.398 2.246 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.771 0.534 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.244 1.497 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.748 0.984 7.105 1.00 0.00 H new ATOM 0 HE ARG A 36 6.506 3.163 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.959 3.329 7.322 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.972 5.049 7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.449 5.351 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.893 6.161 7.956 1.00 0.00 H new ATOM 589 N VAL A 37 5.429 -0.379 2.053 1.00 0.00 N ATOM 590 CA VAL A 37 5.395 -0.456 0.602 1.00 0.00 C ATOM 591 C VAL A 37 4.243 0.445 0.165 1.00 0.00 C ATOM 592 O VAL A 37 3.137 0.368 0.713 1.00 0.00 O ATOM 593 CB VAL A 37 5.289 -1.911 0.116 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.124 -1.994 -1.403 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.557 -2.685 0.491 1.00 0.00 C ATOM 0 H VAL A 37 4.710 -0.937 2.515 1.00 0.00 H new ATOM 0 HA VAL A 37 6.320 -0.106 0.144 1.00 0.00 H new ATOM 0 HB VAL A 37 4.411 -2.342 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.053 -3.039 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.217 -1.468 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.985 -1.534 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.472 -3.714 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.422 -2.214 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.681 -2.678 1.574 1.00 0.00 H new ATOM 605 N LEU A 38 4.520 1.320 -0.800 1.00 0.00 N ATOM 606 CA LEU A 38 3.609 2.339 -1.291 1.00 0.00 C ATOM 607 C LEU A 38 3.374 2.084 -2.773 1.00 0.00 C ATOM 608 O LEU A 38 4.265 1.588 -3.470 1.00 0.00 O ATOM 609 CB LEU A 38 4.186 3.761 -1.126 1.00 0.00 C ATOM 610 CG LEU A 38 4.449 4.307 0.293 1.00 0.00 C ATOM 611 CD1 LEU A 38 3.260 4.114 1.237 1.00 0.00 C ATOM 612 CD2 LEU A 38 5.713 3.724 0.933 1.00 0.00 C ATOM 0 H LEU A 38 5.422 1.335 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 38 2.686 2.282 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.129 3.798 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.504 4.451 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 38 4.601 5.377 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.506 4.518 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.390 4.635 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.036 3.051 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.844 4.146 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.617 2.641 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.579 3.970 0.318 1.00 0.00 H new ATOM 624 N VAL A 39 2.194 2.464 -3.260 1.00 0.00 N ATOM 625 CA VAL A 39 1.852 2.433 -4.672 1.00 0.00 C ATOM 626 C VAL A 39 2.693 3.500 -5.382 1.00 0.00 C ATOM 627 O VAL A 39 2.462 4.698 -5.201 1.00 0.00 O ATOM 628 CB VAL A 39 0.329 2.617 -4.852 1.00 0.00 C ATOM 629 CG1 VAL A 39 -0.065 2.509 -6.331 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.476 1.557 -4.076 1.00 0.00 C ATOM 0 H VAL A 39 1.437 2.808 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 39 2.085 1.469 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 39 0.095 3.608 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.142 2.642 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.451 3.281 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.216 1.527 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.542 1.724 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.209 0.563 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.248 1.633 -3.013 1.00 0.00 H new ATOM 640 N ALA A 40 3.684 3.065 -6.163 1.00 0.00 N ATOM 641 CA ALA A 40 4.587 3.930 -6.914 1.00 0.00 C ATOM 642 C ALA A 40 4.003 4.316 -8.271 1.00 0.00 C ATOM 643 O ALA A 40 4.287 5.405 -8.771 1.00 0.00 O ATOM 644 CB ALA A 40 5.925 3.211 -7.116 1.00 0.00 C ATOM 0 H ALA A 40 3.883 2.073 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 40 4.732 4.846 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.603 3.854 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.364 2.980 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.761 2.286 -7.669 1.00 0.00 H new ATOM 650 N PHE A 41 3.177 3.448 -8.858 1.00 0.00 N ATOM 651 CA PHE A 41 2.379 3.754 -10.036 1.00 0.00 C ATOM 652 C PHE A 41 1.076 2.970 -9.907 1.00 0.00 C ATOM 653 O PHE A 41 1.062 1.874 -9.341 1.00 0.00 O ATOM 654 CB PHE A 41 3.138 3.451 -11.337 1.00 0.00 C ATOM 655 CG PHE A 41 2.774 4.398 -12.466 1.00 0.00 C ATOM 656 CD1 PHE A 41 3.246 5.725 -12.439 1.00 0.00 C ATOM 657 CD2 PHE A 41 1.963 3.972 -13.535 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.911 6.619 -13.471 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.635 4.864 -14.571 1.00 0.00 C ATOM 660 CZ PHE A 41 2.105 6.188 -14.540 1.00 0.00 C ATOM 0 H PHE A 41 3.045 2.496 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 41 2.161 4.821 -10.091 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.210 3.512 -11.149 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.926 2.427 -11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.868 6.057 -11.621 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.592 2.958 -13.559 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.272 7.636 -13.443 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.020 4.531 -15.394 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.848 6.873 -15.335 1.00 0.00 H new ATOM 780 N VAL A 49 -1.772 5.799 -6.608 1.00 0.00 N ATOM 781 CA VAL A 49 -0.450 6.268 -6.194 1.00 0.00 C ATOM 782 C VAL A 49 -0.453 6.876 -4.783 1.00 0.00 C ATOM 783 O VAL A 49 -1.387 7.577 -4.389 1.00 0.00 O ATOM 784 CB VAL A 49 0.139 7.245 -7.235 1.00 0.00 C ATOM 785 CG1 VAL A 49 0.776 6.456 -8.382 1.00 0.00 C ATOM 786 CG2 VAL A 49 -0.880 8.243 -7.813 1.00 0.00 C ATOM 0 HA VAL A 49 0.198 5.393 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 49 0.882 7.837 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.190 7.149 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.572 5.823 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.019 5.833 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.384 8.892 -8.535 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.684 7.697 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.294 8.848 -7.007 1.00 0.00 H new ATOM 796 N GLY A 50 0.614 6.607 -4.024 1.00 0.00 N ATOM 797 CA GLY A 50 0.866 7.188 -2.711 1.00 0.00 C ATOM 798 C GLY A 50 0.199 6.434 -1.557 1.00 0.00 C ATOM 799 O GLY A 50 0.586 6.646 -0.406 1.00 0.00 O ATOM 0 H GLY A 50 1.345 5.959 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.942 7.217 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.515 8.220 -2.708 1.00 0.00 H new ATOM 803 N HIS A 51 -0.775 5.558 -1.829 1.00 0.00 N ATOM 804 CA HIS A 51 -1.407 4.737 -0.798 1.00 0.00 C ATOM 805 C HIS A 51 -0.438 3.647 -0.332 1.00 0.00 C ATOM 806 O HIS A 51 0.491 3.291 -1.062 1.00 0.00 O ATOM 807 CB HIS A 51 -2.716 4.150 -1.339 1.00 0.00 C ATOM 808 CG HIS A 51 -3.760 5.215 -1.578 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.934 5.951 -2.727 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.648 5.701 -0.659 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.909 6.848 -2.509 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.383 6.734 -1.254 1.00 0.00 N ATOM 0 H HIS A 51 -1.144 5.401 -2.767 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.650 5.350 0.070 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.518 3.622 -2.271 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.103 3.416 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.763 5.348 0.355 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.263 7.561 -3.238 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.125 7.287 -0.825 1.00 0.00 H new ATOM 820 N ALA A 52 -0.663 3.105 0.867 1.00 0.00 N ATOM 821 CA ALA A 52 0.184 2.100 1.495 1.00 0.00 C ATOM 822 C ALA A 52 -0.521 0.748 1.450 1.00 0.00 C ATOM 823 O ALA A 52 -1.745 0.681 1.594 1.00 0.00 O ATOM 824 CB ALA A 52 0.461 2.503 2.949 1.00 0.00 C ATOM 0 H ALA A 52 -1.465 3.364 1.441 1.00 0.00 H new ATOM 0 HA ALA A 52 1.131 2.027 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.095 1.752 3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.966 3.469 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.481 2.575 3.492 1.00 0.00 H new ATOM 830 N VAL A 53 0.243 -0.330 1.266 1.00 0.00 N ATOM 831 CA VAL A 53 -0.289 -1.689 1.320 1.00 0.00 C ATOM 832 C VAL A 53 -0.824 -1.988 2.733 1.00 0.00 C ATOM 833 O VAL A 53 -0.336 -1.428 3.720 1.00 0.00 O ATOM 834 CB VAL A 53 0.781 -2.681 0.814 1.00 0.00 C ATOM 835 CG1 VAL A 53 1.955 -2.855 1.788 1.00 0.00 C ATOM 836 CG2 VAL A 53 0.170 -4.043 0.462 1.00 0.00 C ATOM 0 H VAL A 53 1.244 -0.284 1.076 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.144 -1.802 0.654 1.00 0.00 H new ATOM 0 HB VAL A 53 1.186 -2.236 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.670 -3.565 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.445 -1.894 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.584 -3.230 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.954 -4.713 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.302 -4.470 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.577 -3.915 -0.322 1.00 0.00 H new ATOM 846 N LEU A 54 -1.813 -2.882 2.834 1.00 0.00 N ATOM 847 CA LEU A 54 -2.466 -3.262 4.087 1.00 0.00 C ATOM 848 C LEU A 54 -2.571 -4.783 4.200 1.00 0.00 C ATOM 849 O LEU A 54 -2.293 -5.322 5.272 1.00 0.00 O ATOM 850 CB LEU A 54 -3.868 -2.623 4.176 1.00 0.00 C ATOM 851 CG LEU A 54 -3.888 -1.084 4.280 1.00 0.00 C ATOM 852 CD1 LEU A 54 -5.333 -0.587 4.169 1.00 0.00 C ATOM 853 CD2 LEU A 54 -3.285 -0.577 5.594 1.00 0.00 C ATOM 0 H LEU A 54 -2.190 -3.373 2.024 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.860 -2.895 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.440 -2.918 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.382 -3.036 5.044 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.278 -0.695 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.350 0.500 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.750 -0.893 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.928 -1.014 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.324 0.512 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.853 -0.977 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.248 -0.905 5.669 1.00 0.00 H new ATOM 865 N ALA A 55 -2.910 -5.500 3.121 1.00 0.00 N ATOM 866 CA ALA A 55 -2.913 -6.964 3.117 1.00 0.00 C ATOM 867 C ALA A 55 -2.640 -7.492 1.711 1.00 0.00 C ATOM 868 O ALA A 55 -2.879 -6.789 0.728 1.00 0.00 O ATOM 869 CB ALA A 55 -4.258 -7.503 3.629 1.00 0.00 C ATOM 0 H ALA A 55 -3.188 -5.083 2.233 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.122 -7.309 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.241 -8.593 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.427 -7.152 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.062 -7.147 2.985 1.00 0.00 H new ATOM 875 N ILE A 56 -2.187 -8.743 1.621 1.00 0.00 N ATOM 876 CA ILE A 56 -1.946 -9.455 0.368 1.00 0.00 C ATOM 877 C ILE A 56 -2.460 -10.876 0.583 1.00 0.00 C ATOM 878 O ILE A 56 -2.255 -11.445 1.652 1.00 0.00 O ATOM 879 CB ILE A 56 -0.442 -9.447 -0.007 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.079 -8.004 -0.184 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.203 -10.271 -1.292 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.580 -7.908 -0.454 1.00 0.00 C ATOM 0 H ILE A 56 -1.971 -9.305 2.444 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.461 -8.973 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 56 0.113 -9.907 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.458 -7.535 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.154 -7.433 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.858 -10.256 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.522 -11.300 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.776 -9.839 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.863 -6.861 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.128 -8.345 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.820 -8.449 -1.369 1.00 0.00 H new ATOM 894 N ASN A 57 -3.111 -11.452 -0.430 1.00 0.00 N ATOM 895 CA ASN A 57 -3.657 -12.813 -0.465 1.00 0.00 C ATOM 896 C ASN A 57 -4.452 -13.168 0.804 1.00 0.00 C ATOM 897 O ASN A 57 -4.491 -14.328 1.224 1.00 0.00 O ATOM 898 CB ASN A 57 -2.553 -13.836 -0.810 1.00 0.00 C ATOM 899 CG ASN A 57 -1.953 -13.664 -2.207 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.472 -12.931 -3.045 1.00 0.00 O ATOM 901 ND2 ASN A 57 -0.843 -14.334 -2.480 1.00 0.00 N ATOM 0 H ASN A 57 -3.282 -10.951 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.391 -12.858 -1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.755 -13.756 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.966 -14.841 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.406 -14.245 -3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.425 -14.938 -1.773 1.00 0.00 H new ATOM 908 N GLY A 58 -5.090 -12.169 1.426 1.00 0.00 N ATOM 909 CA GLY A 58 -5.943 -12.352 2.593 1.00 0.00 C ATOM 910 C GLY A 58 -5.175 -12.422 3.915 1.00 0.00 C ATOM 911 O GLY A 58 -5.744 -12.884 4.907 1.00 0.00 O ATOM 0 H GLY A 58 -5.023 -11.197 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.657 -11.530 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.520 -13.269 2.470 1.00 0.00 H new ATOM 915 N MET A 59 -3.923 -11.954 3.964 1.00 0.00 N ATOM 916 CA MET A 59 -3.168 -11.774 5.200 1.00 0.00 C ATOM 917 C MET A 59 -2.673 -10.334 5.280 1.00 0.00 C ATOM 918 O MET A 59 -2.142 -9.797 4.308 1.00 0.00 O ATOM 919 CB MET A 59 -1.995 -12.765 5.318 1.00 0.00 C ATOM 920 CG MET A 59 -1.043 -12.820 4.118 1.00 0.00 C ATOM 921 SD MET A 59 0.480 -13.758 4.416 1.00 0.00 S ATOM 922 CE MET A 59 1.198 -13.638 2.758 1.00 0.00 C ATOM 0 H MET A 59 -3.401 -11.686 3.130 1.00 0.00 H new ATOM 0 HA MET A 59 -3.833 -11.981 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.416 -12.509 6.205 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.402 -13.763 5.480 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.569 -13.263 3.272 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.779 -11.802 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.154 -14.162 2.737 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.520 -14.091 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.353 -12.589 2.504 1.00 0.00 H new ATOM 932 N ASP A 60 -2.863 -9.715 6.444 1.00 0.00 N ATOM 933 CA ASP A 60 -2.276 -8.425 6.798 1.00 0.00 C ATOM 934 C ASP A 60 -0.772 -8.456 6.530 1.00 0.00 C ATOM 935 O ASP A 60 -0.120 -9.470 6.803 1.00 0.00 O ATOM 936 CB ASP A 60 -2.536 -8.143 8.285 1.00 0.00 C ATOM 937 CG ASP A 60 -1.649 -7.006 8.814 1.00 0.00 C ATOM 938 OD1 ASP A 60 -1.794 -5.867 8.322 1.00 0.00 O ATOM 939 OD2 ASP A 60 -0.834 -7.247 9.732 1.00 0.00 O ATOM 0 H ASP A 60 -3.444 -10.107 7.185 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.728 -7.637 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.585 -7.882 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.351 -9.048 8.864 1.00 0.00 H new ATOM 944 N VAL A 61 -0.213 -7.349 6.039 1.00 0.00 N ATOM 945 CA VAL A 61 1.225 -7.224 5.852 1.00 0.00 C ATOM 946 C VAL A 61 1.760 -6.132 6.783 1.00 0.00 C ATOM 947 O VAL A 61 1.243 -5.013 6.848 1.00 0.00 O ATOM 948 CB VAL A 61 1.605 -7.084 4.364 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.130 -8.306 3.559 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.057 -5.826 3.685 1.00 0.00 C ATOM 0 H VAL A 61 -0.743 -6.522 5.763 1.00 0.00 H new ATOM 0 HA VAL A 61 1.728 -8.145 6.145 1.00 0.00 H new ATOM 0 HB VAL A 61 2.692 -7.009 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.410 -8.184 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.597 -9.207 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.046 -8.394 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.372 -5.809 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.032 -5.831 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.440 -4.942 4.194 1.00 0.00 H new ATOM 960 N ASN A 62 2.798 -6.490 7.536 1.00 0.00 N ATOM 961 CA ASN A 62 3.526 -5.654 8.474 1.00 0.00 C ATOM 962 C ASN A 62 4.450 -4.717 7.692 1.00 0.00 C ATOM 963 O ASN A 62 5.656 -4.958 7.588 1.00 0.00 O ATOM 964 CB ASN A 62 4.300 -6.554 9.453 1.00 0.00 C ATOM 965 CG ASN A 62 5.132 -5.763 10.462 1.00 0.00 C ATOM 966 OD1 ASN A 62 4.892 -4.587 10.727 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.116 -6.407 11.066 1.00 0.00 N ATOM 0 H ASN A 62 3.174 -7.437 7.501 1.00 0.00 H new ATOM 0 HA ASN A 62 2.845 -5.037 9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.595 -7.188 9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.957 -7.215 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.687 -5.928 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.304 -7.383 10.836 1.00 0.00 H new ATOM 974 N GLY A 63 3.858 -3.692 7.075 1.00 0.00 N ATOM 975 CA GLY A 63 4.527 -2.586 6.398 1.00 0.00 C ATOM 976 C GLY A 63 5.178 -3.001 5.080 1.00 0.00 C ATOM 977 O GLY A 63 4.722 -2.594 4.010 1.00 0.00 O ATOM 0 H GLY A 63 2.842 -3.610 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.804 -1.793 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.288 -2.170 7.058 1.00 0.00 H new ATOM 981 N ARG A 64 6.213 -3.841 5.151 1.00 0.00 N ATOM 982 CA ARG A 64 6.903 -4.423 4.004 1.00 0.00 C ATOM 983 C ARG A 64 7.263 -5.890 4.223 1.00 0.00 C ATOM 984 O ARG A 64 7.969 -6.449 3.387 1.00 0.00 O ATOM 985 CB ARG A 64 8.129 -3.573 3.621 1.00 0.00 C ATOM 986 CG ARG A 64 9.279 -3.540 4.641 1.00 0.00 C ATOM 987 CD ARG A 64 10.639 -3.938 4.035 1.00 0.00 C ATOM 988 NE ARG A 64 11.746 -3.334 4.791 1.00 0.00 N ATOM 989 CZ ARG A 64 13.020 -3.214 4.410 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.485 -3.835 3.331 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.829 -2.434 5.118 1.00 0.00 N ATOM 0 H ARG A 64 6.606 -4.144 6.042 1.00 0.00 H new ATOM 0 HA ARG A 64 6.211 -4.410 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.521 -3.945 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.796 -2.550 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.355 -2.537 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.045 -4.214 5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.740 -5.023 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.686 -3.617 2.994 1.00 0.00 H new ATOM 0 HE ARG A 64 11.514 -2.964 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.864 -4.420 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.463 -3.726 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.474 -1.940 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.806 -2.329 4.843 1.00 0.00 H new ATOM 1005 N TYR A 65 6.772 -6.528 5.287 1.00 0.00 N ATOM 1006 CA TYR A 65 6.950 -7.957 5.523 1.00 0.00 C ATOM 1007 C TYR A 65 5.561 -8.581 5.620 1.00 0.00 C ATOM 1008 O TYR A 65 4.646 -7.942 6.140 1.00 0.00 O ATOM 1009 CB TYR A 65 7.767 -8.181 6.805 1.00 0.00 C ATOM 1010 CG TYR A 65 9.176 -7.612 6.748 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.416 -6.271 7.109 1.00 0.00 C ATOM 1012 CD2 TYR A 65 10.244 -8.413 6.300 1.00 0.00 C ATOM 1013 CE1 TYR A 65 10.704 -5.718 6.983 1.00 0.00 C ATOM 1014 CE2 TYR A 65 11.543 -7.880 6.210 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.778 -6.525 6.540 1.00 0.00 C ATOM 1016 OH TYR A 65 13.025 -5.986 6.427 1.00 0.00 O ATOM 0 H TYR A 65 6.234 -6.059 6.016 1.00 0.00 H new ATOM 0 HA TYR A 65 7.503 -8.426 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.238 -7.730 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.826 -9.251 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.606 -5.664 7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.065 -9.442 6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.872 -4.679 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.362 -8.507 5.888 1.00 0.00 H new ATOM 0 HH TYR A 65 13.650 -6.671 6.112 1.00 0.00 H new ATOM 1026 N THR A 66 5.359 -9.798 5.123 1.00 0.00 N ATOM 1027 CA THR A 66 4.091 -10.487 5.293 1.00 0.00 C ATOM 1028 C THR A 66 3.924 -10.933 6.748 1.00 0.00 C ATOM 1029 O THR A 66 4.847 -10.838 7.564 1.00 0.00 O ATOM 1030 CB THR A 66 3.972 -11.678 4.326 1.00 0.00 C ATOM 1031 OG1 THR A 66 5.006 -12.619 4.540 1.00 0.00 O ATOM 1032 CG2 THR A 66 4.020 -11.232 2.864 1.00 0.00 C ATOM 0 H THR A 66 6.059 -10.324 4.600 1.00 0.00 H new ATOM 0 HA THR A 66 3.286 -9.793 5.052 1.00 0.00 H new ATOM 0 HB THR A 66 3.005 -12.139 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.904 -13.365 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.933 -12.103 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.195 -10.547 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.966 -10.727 2.669 1.00 0.00 H new ATOM 1040 N ALA A 67 2.743 -11.468 7.057 1.00 0.00 N ATOM 1041 CA ALA A 67 2.490 -12.141 8.321 1.00 0.00 C ATOM 1042 C ALA A 67 3.463 -13.314 8.509 1.00 0.00 C ATOM 1043 O ALA A 67 3.936 -13.561 9.620 1.00 0.00 O ATOM 1044 CB ALA A 67 1.051 -12.657 8.305 1.00 0.00 C ATOM 0 H ALA A 67 1.936 -11.444 6.433 1.00 0.00 H new ATOM 0 HA ALA A 67 2.636 -11.445 9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.837 -13.167 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.365 -11.819 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.924 -13.354 7.477 1.00 0.00 H new ATOM 1050 N ASP A 68 3.762 -14.028 7.419 1.00 0.00 N ATOM 1051 CA ASP A 68 4.718 -15.136 7.404 1.00 0.00 C ATOM 1052 C ASP A 68 6.158 -14.635 7.568 1.00 0.00 C ATOM 1053 O ASP A 68 6.938 -15.249 8.299 1.00 0.00 O ATOM 1054 CB ASP A 68 4.587 -15.928 6.100 1.00 0.00 C ATOM 1055 CG ASP A 68 5.635 -17.047 6.040 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.427 -18.112 6.664 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.662 -16.867 5.348 1.00 0.00 O ATOM 0 H ASP A 68 3.339 -13.848 6.509 1.00 0.00 H new ATOM 0 HA ASP A 68 4.488 -15.787 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.587 -16.355 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.712 -15.260 5.248 1.00 0.00 H new ATOM 1062 N GLY A 69 6.498 -13.507 6.932 1.00 0.00 N ATOM 1063 CA GLY A 69 7.777 -12.817 7.090 1.00 0.00 C ATOM 1064 C GLY A 69 8.519 -12.561 5.774 1.00 0.00 C ATOM 1065 O GLY A 69 9.613 -11.996 5.804 1.00 0.00 O ATOM 0 H GLY A 69 5.872 -13.039 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.603 -11.863 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.417 -13.407 7.746 1.00 0.00 H new ATOM 1069 N LYS A 70 7.970 -12.973 4.624 1.00 0.00 N ATOM 1070 CA LYS A 70 8.525 -12.662 3.305 1.00 0.00 C ATOM 1071 C LYS A 70 8.521 -11.147 3.123 1.00 0.00 C ATOM 1072 O LYS A 70 7.576 -10.497 3.567 1.00 0.00 O ATOM 1073 CB LYS A 70 7.650 -13.301 2.209 1.00 0.00 C ATOM 1074 CG LYS A 70 7.469 -14.823 2.333 1.00 0.00 C ATOM 1075 CD LYS A 70 8.748 -15.594 1.986 1.00 0.00 C ATOM 1076 CE LYS A 70 8.551 -17.103 2.176 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.666 -17.533 3.591 1.00 0.00 N ATOM 0 H LYS A 70 7.121 -13.536 4.585 1.00 0.00 H new ATOM 0 HA LYS A 70 9.540 -13.053 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.667 -12.830 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.091 -13.080 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.165 -15.068 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.663 -15.145 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.032 -15.388 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.567 -15.249 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.569 -17.386 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.290 -17.638 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.591 -18.569 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.586 -17.232 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.902 -17.100 4.148 1.00 0.00 H new ATOM 1091 N GLU A 71 9.526 -10.566 2.466 1.00 0.00 N ATOM 1092 CA GLU A 71 9.431 -9.162 2.086 1.00 0.00 C ATOM 1093 C GLU A 71 8.368 -9.063 0.998 1.00 0.00 C ATOM 1094 O GLU A 71 8.369 -9.855 0.058 1.00 0.00 O ATOM 1095 CB GLU A 71 10.764 -8.596 1.582 1.00 0.00 C ATOM 1096 CG GLU A 71 11.653 -8.151 2.747 1.00 0.00 C ATOM 1097 CD GLU A 71 12.800 -7.255 2.259 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.554 -6.050 2.025 1.00 0.00 O ATOM 1099 OE2 GLU A 71 13.946 -7.740 2.120 1.00 0.00 O ATOM 0 H GLU A 71 10.391 -11.033 2.193 1.00 0.00 H new ATOM 0 HA GLU A 71 9.165 -8.569 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.283 -9.352 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.576 -7.750 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.053 -7.612 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.061 -9.027 3.251 1.00 0.00 H new ATOM 1106 N VAL A 72 7.479 -8.081 1.111 1.00 0.00 N ATOM 1107 CA VAL A 72 6.345 -7.877 0.214 1.00 0.00 C ATOM 1108 C VAL A 72 6.809 -7.772 -1.244 1.00 0.00 C ATOM 1109 O VAL A 72 6.224 -8.417 -2.116 1.00 0.00 O ATOM 1110 CB VAL A 72 5.559 -6.639 0.704 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.648 -6.027 -0.367 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.723 -7.005 1.942 1.00 0.00 C ATOM 0 H VAL A 72 7.529 -7.383 1.853 1.00 0.00 H new ATOM 0 HA VAL A 72 5.673 -8.735 0.237 1.00 0.00 H new ATOM 0 HB VAL A 72 6.303 -5.883 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.128 -5.163 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.249 -5.714 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.918 -6.769 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.172 -6.128 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.020 -7.798 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.383 -7.349 2.738 1.00 0.00 H new ATOM 1122 N LEU A 73 7.863 -6.996 -1.524 1.00 0.00 N ATOM 1123 CA LEU A 73 8.312 -6.794 -2.901 1.00 0.00 C ATOM 1124 C LEU A 73 8.873 -8.093 -3.482 1.00 0.00 C ATOM 1125 O LEU A 73 8.649 -8.376 -4.656 1.00 0.00 O ATOM 1126 CB LEU A 73 9.360 -5.668 -2.989 1.00 0.00 C ATOM 1127 CG LEU A 73 8.830 -4.258 -2.653 1.00 0.00 C ATOM 1128 CD1 LEU A 73 9.971 -3.242 -2.761 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.683 -3.813 -3.572 1.00 0.00 C ATOM 0 H LEU A 73 8.414 -6.503 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 73 7.446 -6.494 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.181 -5.902 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.773 -5.654 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 73 8.439 -4.303 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.596 -2.247 -2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.763 -3.508 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.368 -3.247 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.354 -2.814 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.029 -3.798 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.850 -4.510 -3.478 1.00 0.00 H new ATOM 1141 N GLU A 74 9.562 -8.905 -2.675 1.00 0.00 N ATOM 1142 CA GLU A 74 10.080 -10.197 -3.116 1.00 0.00 C ATOM 1143 C GLU A 74 8.920 -11.178 -3.319 1.00 0.00 C ATOM 1144 O GLU A 74 8.867 -11.881 -4.327 1.00 0.00 O ATOM 1145 CB GLU A 74 11.095 -10.714 -2.082 1.00 0.00 C ATOM 1146 CG GLU A 74 11.774 -12.015 -2.533 1.00 0.00 C ATOM 1147 CD GLU A 74 12.864 -12.454 -1.540 1.00 0.00 C ATOM 1148 OE1 GLU A 74 12.553 -13.176 -0.565 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.051 -12.103 -1.737 1.00 0.00 O ATOM 0 H GLU A 74 9.774 -8.684 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 74 10.593 -10.093 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.854 -9.951 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.589 -10.881 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.027 -12.803 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.215 -11.874 -3.520 1.00 0.00 H new ATOM 1156 N TYR A 75 7.962 -11.190 -2.386 1.00 0.00 N ATOM 1157 CA TYR A 75 6.809 -12.075 -2.401 1.00 0.00 C ATOM 1158 C TYR A 75 5.970 -11.848 -3.658 1.00 0.00 C ATOM 1159 O TYR A 75 5.578 -12.811 -4.316 1.00 0.00 O ATOM 1160 CB TYR A 75 5.980 -11.833 -1.130 1.00 0.00 C ATOM 1161 CG TYR A 75 4.865 -12.832 -0.896 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.185 -14.182 -0.666 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.519 -12.415 -0.862 1.00 0.00 C ATOM 1164 CE1 TYR A 75 4.174 -15.115 -0.388 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.498 -13.342 -0.582 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.824 -14.699 -0.339 1.00 0.00 C ATOM 1167 OH TYR A 75 1.857 -15.614 -0.046 1.00 0.00 O ATOM 0 H TYR A 75 7.974 -10.564 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 75 7.144 -13.112 -2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.649 -11.848 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.548 -10.834 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.216 -14.503 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.271 -11.381 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.427 -16.150 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.468 -13.019 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 75 0.980 -15.176 -0.049 1.00 0.00 H new ATOM 1177 N LEU A 76 5.720 -10.584 -4.007 1.00 0.00 N ATOM 1178 CA LEU A 76 4.977 -10.207 -5.205 1.00 0.00 C ATOM 1179 C LEU A 76 5.836 -10.379 -6.460 1.00 0.00 C ATOM 1180 O LEU A 76 5.308 -10.709 -7.521 1.00 0.00 O ATOM 1181 CB LEU A 76 4.521 -8.743 -5.085 1.00 0.00 C ATOM 1182 CG LEU A 76 3.440 -8.498 -4.012 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.201 -6.995 -3.872 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.130 -9.209 -4.357 1.00 0.00 C ATOM 0 H LEU A 76 6.033 -9.785 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 76 4.108 -10.859 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.388 -8.123 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.138 -8.414 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 76 3.795 -8.908 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.438 -6.817 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.128 -6.505 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.866 -6.589 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.393 -9.013 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.756 -8.839 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.306 -10.282 -4.428 1.00 0.00 H new ATOM 1196 N GLY A 77 7.149 -10.157 -6.352 1.00 0.00 N ATOM 1197 CA GLY A 77 8.083 -10.263 -7.463 1.00 0.00 C ATOM 1198 C GLY A 77 8.258 -11.703 -7.943 1.00 0.00 C ATOM 1199 O GLY A 77 8.497 -11.918 -9.130 1.00 0.00 O ATOM 0 H GLY A 77 7.595 -9.894 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.730 -9.648 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.051 -9.864 -7.159 1.00 0.00 H new ATOM 1203 N ASN A 78 8.127 -12.687 -7.046 1.00 0.00 N ATOM 1204 CA ASN A 78 8.151 -14.110 -7.376 1.00 0.00 C ATOM 1205 C ASN A 78 7.003 -14.436 -8.345 1.00 0.00 C ATOM 1206 O ASN A 78 5.845 -14.349 -7.932 1.00 0.00 O ATOM 1207 CB ASN A 78 8.007 -14.934 -6.082 1.00 0.00 C ATOM 1208 CG ASN A 78 7.932 -16.440 -6.330 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.089 -16.927 -7.445 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.683 -17.214 -5.289 1.00 0.00 N ATOM 0 H ASN A 78 7.999 -12.509 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 78 9.097 -14.361 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.853 -14.722 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.109 -14.614 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.620 -18.225 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.554 -16.801 -4.365 1.00 0.00 H new ATOM 1217 N PRO A 79 7.259 -14.843 -9.603 1.00 0.00 N ATOM 1218 CA PRO A 79 6.190 -15.065 -10.566 1.00 0.00 C ATOM 1219 C PRO A 79 5.337 -16.300 -10.269 1.00 0.00 C ATOM 1220 O PRO A 79 4.221 -16.388 -10.783 1.00 0.00 O ATOM 1221 CB PRO A 79 6.854 -15.075 -11.938 1.00 0.00 C ATOM 1222 CG PRO A 79 8.254 -15.607 -11.630 1.00 0.00 C ATOM 1223 CD PRO A 79 8.554 -15.038 -10.241 1.00 0.00 C ATOM 0 HA PRO A 79 5.450 -14.266 -10.512 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.322 -15.717 -12.640 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.887 -14.079 -12.379 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.279 -16.697 -11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.983 -15.271 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.175 -15.723 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.100 -14.097 -10.313 1.00 0.00 H new ATOM 1231 N ALA A 80 5.781 -17.211 -9.390 1.00 0.00 N ATOM 1232 CA ALA A 80 4.925 -18.289 -8.889 1.00 0.00 C ATOM 1233 C ALA A 80 3.736 -17.719 -8.088 1.00 0.00 C ATOM 1234 O ALA A 80 2.766 -18.428 -7.821 1.00 0.00 O ATOM 1235 CB ALA A 80 5.741 -19.233 -8.001 1.00 0.00 C ATOM 0 H ALA A 80 6.729 -17.220 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 80 4.534 -18.841 -9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.098 -20.032 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.558 -19.663 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.149 -18.677 -7.157 1.00 0.00 H new ATOM 1241 N ASN A 81 3.822 -16.439 -7.709 1.00 0.00 N ATOM 1242 CA ASN A 81 2.868 -15.675 -6.921 1.00 0.00 C ATOM 1243 C ASN A 81 2.647 -14.311 -7.602 1.00 0.00 C ATOM 1244 O ASN A 81 2.484 -13.294 -6.935 1.00 0.00 O ATOM 1245 CB ASN A 81 3.426 -15.562 -5.495 1.00 0.00 C ATOM 1246 CG ASN A 81 2.490 -14.844 -4.526 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.304 -15.147 -4.421 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.031 -13.912 -3.764 1.00 0.00 N ATOM 0 H ASN A 81 4.628 -15.872 -7.970 1.00 0.00 H new ATOM 0 HA ASN A 81 1.893 -16.158 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.631 -16.562 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.378 -15.032 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.462 -13.427 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.018 -13.677 -3.869 1.00 0.00 H new ATOM 1255 N TYR A 82 2.705 -14.261 -8.943 1.00 0.00 N ATOM 1256 CA TYR A 82 2.297 -13.080 -9.702 1.00 0.00 C ATOM 1257 C TYR A 82 0.790 -12.815 -9.547 1.00 0.00 C ATOM 1258 O TYR A 82 0.453 -11.684 -9.200 1.00 0.00 O ATOM 1259 CB TYR A 82 2.678 -13.194 -11.194 1.00 0.00 C ATOM 1260 CG TYR A 82 3.920 -12.465 -11.696 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.884 -11.894 -10.835 1.00 0.00 C ATOM 1262 CD2 TYR A 82 4.097 -12.354 -13.088 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.999 -11.218 -11.361 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.207 -11.675 -13.622 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.166 -11.102 -12.759 1.00 0.00 C ATOM 1266 OH TYR A 82 7.236 -10.441 -13.285 1.00 0.00 O ATOM 0 H TYR A 82 3.034 -15.034 -9.522 1.00 0.00 H new ATOM 0 HA TYR A 82 2.840 -12.231 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.803 -14.253 -11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.829 -12.840 -11.779 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.763 -11.977 -9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.371 -12.796 -13.755 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.730 -10.786 -10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.326 -11.592 -14.692 1.00 0.00 H new ATOM 0 HH TYR A 82 7.186 -10.464 -14.263 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.130 -13.775 -9.787 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.552 -13.542 -9.558 1.00 0.00 C ATOM 1278 C PRO A 83 -1.820 -13.495 -8.049 1.00 0.00 C ATOM 1279 O PRO A 83 -1.472 -14.430 -7.322 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.286 -14.689 -10.257 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.265 -15.824 -10.267 1.00 0.00 C ATOM 1282 CD PRO A 83 0.077 -15.099 -10.367 1.00 0.00 C ATOM 0 HA PRO A 83 -1.899 -12.590 -9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.192 -14.971 -9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.588 -14.414 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.328 -16.428 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.421 -16.497 -11.110 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.854 -15.642 -9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.402 -15.023 -11.405 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.438 -12.411 -7.580 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.599 -12.079 -6.166 1.00 0.00 C ATOM 1292 C VAL A 84 -3.879 -11.273 -5.958 1.00 0.00 C ATOM 1293 O VAL A 84 -4.507 -10.830 -6.922 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.382 -11.264 -5.657 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.122 -12.126 -5.590 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.098 -10.004 -6.491 1.00 0.00 C ATOM 0 H VAL A 84 -2.855 -11.715 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.663 -13.008 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.654 -10.936 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.712 -11.524 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.288 -12.961 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.110 -12.509 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.234 -9.482 -6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.892 -10.289 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.967 -9.346 -6.463 1.00 0.00 H new ATOM 1306 N SER A 85 -4.236 -11.048 -4.697 1.00 0.00 N ATOM 1307 CA SER A 85 -5.283 -10.128 -4.274 1.00 0.00 C ATOM 1308 C SER A 85 -4.622 -9.193 -3.265 1.00 0.00 C ATOM 1309 O SER A 85 -3.808 -9.660 -2.466 1.00 0.00 O ATOM 1310 CB SER A 85 -6.447 -10.899 -3.646 1.00 0.00 C ATOM 1311 OG SER A 85 -6.967 -11.862 -4.549 1.00 0.00 O ATOM 0 H SER A 85 -3.786 -11.520 -3.913 1.00 0.00 H new ATOM 0 HA SER A 85 -5.702 -9.568 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.110 -11.394 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.235 -10.203 -3.358 1.00 0.00 H new ATOM 0 HG SER A 85 -7.708 -12.342 -4.124 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.908 -7.891 -3.302 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.214 -6.914 -2.465 1.00 0.00 C ATOM 1319 C ILE A 86 -5.246 -5.923 -1.934 1.00 0.00 C ATOM 1320 O ILE A 86 -6.182 -5.538 -2.644 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.081 -6.202 -3.261 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.084 -7.219 -3.874 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.322 -5.188 -2.378 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.912 -6.599 -4.643 1.00 0.00 C ATOM 0 H ILE A 86 -5.622 -7.487 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.731 -7.414 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.563 -5.661 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.684 -7.840 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.631 -7.880 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.538 -4.709 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.017 -4.431 -2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.875 -5.707 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.273 -7.391 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.295 -6.002 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.334 -5.962 -3.974 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.036 -5.491 -0.688 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.751 -4.389 -0.065 1.00 0.00 C ATOM 1338 C ARG A 87 -4.697 -3.351 0.258 1.00 0.00 C ATOM 1339 O ARG A 87 -3.655 -3.685 0.833 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.493 -4.803 1.215 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.672 -5.741 0.933 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.614 -5.856 2.141 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.016 -6.601 3.264 1.00 0.00 N ATOM 1344 CZ ARG A 87 -8.069 -7.929 3.448 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.602 -8.729 2.528 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -7.581 -8.454 4.568 1.00 0.00 N ATOM 0 H ARG A 87 -4.342 -5.915 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.521 -4.016 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.795 -5.295 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.857 -3.911 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.230 -5.374 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.295 -6.730 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.887 -4.856 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.535 -6.351 1.832 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.516 -6.056 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.979 -8.335 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.634 -9.736 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.171 -7.848 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.617 -9.462 4.716 1.00 0.00 H new ATOM 1360 N PHE A 88 -4.977 -2.103 -0.089 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.141 -0.950 0.188 1.00 0.00 C ATOM 1362 C PHE A 88 -5.069 0.229 0.458 1.00 0.00 C ATOM 1363 O PHE A 88 -6.270 0.155 0.179 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.184 -0.681 -0.990 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.826 -0.403 -2.335 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -4.268 0.899 -2.637 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -3.919 -1.415 -3.310 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -4.796 1.191 -3.904 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -4.440 -1.119 -4.581 1.00 0.00 C ATOM 1370 CZ PHE A 88 -4.880 0.182 -4.880 1.00 0.00 C ATOM 0 H PHE A 88 -5.830 -1.859 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.509 -1.122 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.555 0.170 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.526 -1.543 -1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.200 1.676 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.590 -2.418 -3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.138 2.190 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.503 -1.894 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.282 0.406 -5.857 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.536 1.316 1.005 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.314 2.494 1.341 1.00 0.00 C ATOM 1382 C GLY A 89 -4.486 3.457 2.171 1.00 0.00 C ATOM 1383 O GLY A 89 -3.256 3.460 2.089 1.00 0.00 O ATOM 0 H GLY A 89 -3.544 1.401 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.651 2.987 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.207 2.202 1.894 1.00 0.00 H new ATOM 1387 N ARG A 90 -5.159 4.317 2.934 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.479 5.133 3.932 1.00 0.00 C ATOM 1389 C ARG A 90 -3.991 4.203 5.057 1.00 0.00 C ATOM 1390 O ARG A 90 -4.545 3.111 5.224 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.432 6.221 4.470 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.599 7.413 3.514 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.663 7.216 2.425 1.00 0.00 C ATOM 1394 NE ARG A 90 -6.677 8.368 1.505 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.729 8.842 0.825 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -8.920 8.253 0.894 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -7.584 9.929 0.073 1.00 0.00 N ATOM 0 H ARG A 90 -6.167 4.464 2.879 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.623 5.645 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.409 5.777 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.056 6.582 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.855 8.297 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.641 7.614 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.458 6.301 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.644 7.097 2.884 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.791 8.856 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.046 7.423 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.707 8.631 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.678 10.394 0.018 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.379 10.298 -0.449 1.00 0.00 H new