USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 28 ASN : amide:sc= -0.0583 X(o=0.41,f=0.43) USER MOD Set 1.2: A 48 MET CE :methyl -158:sc= -0.121 (180deg=-0.347) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.592 K(o=0.41,f=-6.6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0425 K(o=-0.043,f=-0.67) USER MOD Single : A 30 MET CE :methyl 159:sc= 0 (180deg=-0.86) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 37 MET CE :methyl -163:sc= -0.317 (180deg=-1.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc=-0.00506 (180deg=-0.128) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.725) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.468 (180deg=0.23) USER MOD Single : A 53 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.082) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.0815) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 1.1 K(o=1.1,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.167 6.235 13.692 1.00 0.00 N ATOM 331 CA ASP A 23 -14.843 5.117 14.376 1.00 0.00 C ATOM 332 C ASP A 23 -14.041 3.796 14.323 1.00 0.00 C ATOM 333 O ASP A 23 -14.181 2.931 15.192 1.00 0.00 O ATOM 334 CB ASP A 23 -16.248 4.956 13.774 1.00 0.00 C ATOM 335 CG ASP A 23 -17.163 4.059 14.629 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.339 4.345 15.838 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.762 3.102 14.084 1.00 0.00 O ATOM 0 HA ASP A 23 -14.918 5.357 15.437 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.707 5.939 13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.163 4.532 12.773 1.00 0.00 H new ATOM 342 N THR A 24 -13.118 3.678 13.360 1.00 0.00 N ATOM 343 CA THR A 24 -12.129 2.593 13.243 1.00 0.00 C ATOM 344 C THR A 24 -11.207 2.477 14.468 1.00 0.00 C ATOM 345 O THR A 24 -10.790 1.371 14.815 1.00 0.00 O ATOM 346 CB THR A 24 -11.288 2.775 11.966 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.132 2.970 10.849 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.404 1.571 11.636 1.00 0.00 C ATOM 0 H THR A 24 -13.035 4.363 12.609 1.00 0.00 H new ATOM 0 HA THR A 24 -12.695 1.663 13.187 1.00 0.00 H new ATOM 0 HB THR A 24 -10.652 3.638 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.587 3.086 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.841 1.772 10.724 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.711 1.392 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.029 0.690 11.490 1.00 0.00 H new ATOM 356 N ILE A 25 -10.926 3.585 15.166 1.00 0.00 N ATOM 357 CA ILE A 25 -10.137 3.614 16.413 1.00 0.00 C ATOM 358 C ILE A 25 -10.822 2.777 17.505 1.00 0.00 C ATOM 359 O ILE A 25 -10.177 1.951 18.152 1.00 0.00 O ATOM 360 CB ILE A 25 -9.892 5.079 16.861 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.975 5.799 15.838 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.281 5.146 18.273 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.919 7.321 15.979 1.00 0.00 C ATOM 0 H ILE A 25 -11.246 4.509 14.876 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.162 3.163 16.230 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.856 5.586 16.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.964 5.403 15.937 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.316 5.555 14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.124 6.188 18.552 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.960 4.678 18.986 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.326 4.620 18.282 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.253 7.732 15.221 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.918 7.736 15.848 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.546 7.581 16.969 1.00 0.00 H new ATOM 375 N PHE A 26 -12.132 2.966 17.700 1.00 0.00 N ATOM 376 CA PHE A 26 -12.921 2.219 18.684 1.00 0.00 C ATOM 377 C PHE A 26 -13.146 0.753 18.272 1.00 0.00 C ATOM 378 O PHE A 26 -13.021 -0.144 19.110 1.00 0.00 O ATOM 379 CB PHE A 26 -14.251 2.953 18.926 1.00 0.00 C ATOM 380 CG PHE A 26 -15.177 2.328 19.962 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.678 1.870 21.200 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.557 2.231 19.699 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.545 1.300 22.149 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.427 1.671 20.653 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.921 1.201 21.877 1.00 0.00 C ATOM 0 H PHE A 26 -12.678 3.648 17.174 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.357 2.178 19.616 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.029 3.975 19.235 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.787 3.016 17.979 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.624 1.958 21.420 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.950 2.589 18.759 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.154 0.938 23.088 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.484 1.602 20.444 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.587 0.765 22.607 1.00 0.00 H new ATOM 395 N GLN A 27 -13.456 0.484 16.995 1.00 0.00 N ATOM 396 CA GLN A 27 -13.791 -0.873 16.529 1.00 0.00 C ATOM 397 C GLN A 27 -12.599 -1.854 16.503 1.00 0.00 C ATOM 398 O GLN A 27 -12.818 -3.068 16.485 1.00 0.00 O ATOM 399 CB GLN A 27 -14.519 -0.809 15.167 1.00 0.00 C ATOM 400 CG GLN A 27 -13.599 -0.902 13.935 1.00 0.00 C ATOM 401 CD GLN A 27 -14.289 -0.570 12.606 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.415 -0.096 12.527 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.629 -0.807 11.491 1.00 0.00 N ATOM 0 H GLN A 27 -13.482 1.192 16.261 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.468 -1.292 17.274 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.246 -1.620 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.079 0.125 15.114 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.757 -0.224 14.073 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.190 -1.911 13.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.689 -1.202 11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.058 -0.596 10.590 1.00 0.00 H new ATOM 412 N ASN A 28 -11.351 -1.359 16.481 1.00 0.00 N ATOM 413 CA ASN A 28 -10.147 -2.167 16.259 1.00 0.00 C ATOM 414 C ASN A 28 -9.035 -1.884 17.303 1.00 0.00 C ATOM 415 O ASN A 28 -8.269 -0.929 17.139 1.00 0.00 O ATOM 416 CB ASN A 28 -9.691 -1.976 14.799 1.00 0.00 C ATOM 417 CG ASN A 28 -8.829 -3.144 14.361 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.309 -4.147 13.856 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.543 -3.080 14.593 1.00 0.00 N ATOM 0 H ASN A 28 -11.150 -0.369 16.620 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.383 -3.220 16.410 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.561 -1.892 14.147 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.131 -1.046 14.704 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.941 -3.868 14.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.142 -2.242 15.015 1.00 0.00 H new ATOM 426 N PRO A 29 -8.898 -2.695 18.373 1.00 0.00 N ATOM 427 CA PRO A 29 -8.073 -2.366 19.547 1.00 0.00 C ATOM 428 C PRO A 29 -6.555 -2.338 19.295 1.00 0.00 C ATOM 429 O PRO A 29 -5.816 -1.744 20.084 1.00 0.00 O ATOM 430 CB PRO A 29 -8.443 -3.410 20.609 1.00 0.00 C ATOM 431 CG PRO A 29 -8.889 -4.614 19.781 1.00 0.00 C ATOM 432 CD PRO A 29 -9.582 -3.964 18.586 1.00 0.00 C ATOM 0 HA PRO A 29 -8.286 -1.343 19.858 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.593 -3.653 21.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.240 -3.054 21.262 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.043 -5.229 19.473 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.566 -5.260 20.339 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.514 -4.598 17.702 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.642 -3.808 18.786 1.00 0.00 H new ATOM 440 N MET A 30 -6.079 -2.910 18.181 1.00 0.00 N ATOM 441 CA MET A 30 -4.677 -2.829 17.732 1.00 0.00 C ATOM 442 C MET A 30 -4.201 -1.379 17.539 1.00 0.00 C ATOM 443 O MET A 30 -3.008 -1.098 17.654 1.00 0.00 O ATOM 444 CB MET A 30 -4.501 -3.582 16.404 1.00 0.00 C ATOM 445 CG MET A 30 -4.860 -5.072 16.474 1.00 0.00 C ATOM 446 SD MET A 30 -5.088 -5.884 14.864 1.00 0.00 S ATOM 447 CE MET A 30 -3.536 -5.467 14.025 1.00 0.00 C ATOM 0 H MET A 30 -6.668 -3.454 17.551 1.00 0.00 H new ATOM 0 HA MET A 30 -4.073 -3.285 18.517 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.121 -3.106 15.644 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.465 -3.484 16.078 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.074 -5.594 17.019 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.777 -5.183 17.053 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.361 -6.172 13.213 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.601 -4.457 13.621 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.712 -5.521 14.736 1.00 0.00 H new ATOM 457 N VAL A 31 -5.130 -0.450 17.275 1.00 0.00 N ATOM 458 CA VAL A 31 -4.847 0.983 17.136 1.00 0.00 C ATOM 459 C VAL A 31 -4.192 1.538 18.400 1.00 0.00 C ATOM 460 O VAL A 31 -3.092 2.077 18.322 1.00 0.00 O ATOM 461 CB VAL A 31 -6.118 1.770 16.761 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.859 3.279 16.744 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.628 1.365 15.370 1.00 0.00 C ATOM 0 H VAL A 31 -6.116 -0.679 17.150 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.137 1.107 16.318 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.864 1.532 17.520 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.777 3.803 16.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.532 3.603 17.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.084 3.507 16.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.525 1.936 15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.858 1.571 14.626 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.863 0.301 15.364 1.00 0.00 H new ATOM 473 N GLN A 32 -4.813 1.364 19.569 1.00 0.00 N ATOM 474 CA GLN A 32 -4.325 1.927 20.837 1.00 0.00 C ATOM 475 C GLN A 32 -2.884 1.488 21.154 1.00 0.00 C ATOM 476 O GLN A 32 -2.052 2.305 21.545 1.00 0.00 O ATOM 477 CB GLN A 32 -5.273 1.548 21.991 1.00 0.00 C ATOM 478 CG GLN A 32 -6.760 1.881 21.764 1.00 0.00 C ATOM 479 CD GLN A 32 -7.018 3.364 21.489 1.00 0.00 C ATOM 480 OE1 GLN A 32 -6.786 3.874 20.405 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.517 4.115 22.450 1.00 0.00 N ATOM 0 H GLN A 32 -5.674 0.826 19.666 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.312 3.011 20.727 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.182 0.478 22.176 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.939 2.057 22.895 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.132 1.294 20.924 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.330 1.578 22.642 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.718 3.708 23.363 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.702 5.104 22.281 1.00 0.00 H new ATOM 490 N GLU A 33 -2.569 0.209 20.928 1.00 0.00 N ATOM 491 CA GLU A 33 -1.221 -0.355 21.069 1.00 0.00 C ATOM 492 C GLU A 33 -0.191 0.273 20.109 1.00 0.00 C ATOM 493 O GLU A 33 0.956 0.487 20.505 1.00 0.00 O ATOM 494 CB GLU A 33 -1.306 -1.884 20.903 1.00 0.00 C ATOM 495 CG GLU A 33 0.027 -2.638 20.736 1.00 0.00 C ATOM 496 CD GLU A 33 1.028 -2.500 21.902 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.718 -1.845 22.922 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.129 -3.097 21.818 1.00 0.00 O ATOM 0 H GLU A 33 -3.261 -0.481 20.635 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.853 -0.112 22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.821 -2.292 21.773 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.929 -2.098 20.034 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.192 -3.696 20.593 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.510 -2.286 19.824 1.00 0.00 H new ATOM 505 N ALA A 34 -0.578 0.623 18.876 1.00 0.00 N ATOM 506 CA ALA A 34 0.294 1.348 17.952 1.00 0.00 C ATOM 507 C ALA A 34 0.680 2.734 18.512 1.00 0.00 C ATOM 508 O ALA A 34 1.871 3.009 18.678 1.00 0.00 O ATOM 509 CB ALA A 34 -0.348 1.412 16.560 1.00 0.00 C ATOM 0 H ALA A 34 -1.500 0.412 18.495 1.00 0.00 H new ATOM 0 HA ALA A 34 1.232 0.803 17.845 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.310 1.954 15.880 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.504 0.401 16.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.307 1.927 16.625 1.00 0.00 H new ATOM 515 N ILE A 35 -0.287 3.590 18.884 1.00 0.00 N ATOM 516 CA ILE A 35 0.018 4.883 19.536 1.00 0.00 C ATOM 517 C ILE A 35 0.891 4.696 20.791 1.00 0.00 C ATOM 518 O ILE A 35 1.835 5.461 21.002 1.00 0.00 O ATOM 519 CB ILE A 35 -1.258 5.705 19.852 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.950 6.203 18.560 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.946 6.939 20.721 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.214 5.407 18.244 1.00 0.00 C ATOM 0 H ILE A 35 -1.282 3.415 18.747 1.00 0.00 H new ATOM 0 HA ILE A 35 0.594 5.463 18.815 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.919 5.029 20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.203 7.258 18.668 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.255 6.126 17.724 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.867 7.487 20.919 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.505 6.617 21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.245 7.587 20.195 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.667 5.791 17.330 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.958 4.356 18.109 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.921 5.505 19.068 1.00 0.00 H new ATOM 534 N ARG A 36 0.639 3.656 21.598 1.00 0.00 N ATOM 535 CA ARG A 36 1.402 3.339 22.820 1.00 0.00 C ATOM 536 C ARG A 36 2.903 3.085 22.585 1.00 0.00 C ATOM 537 O ARG A 36 3.694 3.326 23.497 1.00 0.00 O ATOM 538 CB ARG A 36 0.710 2.173 23.555 1.00 0.00 C ATOM 539 CG ARG A 36 1.192 2.012 25.006 1.00 0.00 C ATOM 540 CD ARG A 36 0.303 1.058 25.814 1.00 0.00 C ATOM 541 NE ARG A 36 0.417 -0.346 25.368 1.00 0.00 N ATOM 542 CZ ARG A 36 0.261 -1.436 26.094 1.00 0.00 C ATOM 543 NH1 ARG A 36 -0.045 -1.406 27.362 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.414 -2.600 25.531 1.00 0.00 N ATOM 0 H ARG A 36 -0.117 2.995 21.418 1.00 0.00 H new ATOM 0 HA ARG A 36 1.391 4.226 23.454 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.368 2.336 23.551 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.894 1.247 23.011 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.216 1.639 25.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.208 2.988 25.491 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.573 1.123 26.868 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.736 1.378 25.730 1.00 0.00 H new ATOM 0 HE ARG A 36 0.643 -0.489 24.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.174 -0.511 27.834 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.155 -2.277 27.881 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.651 -2.660 24.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.296 -3.452 26.080 1.00 0.00 H new ATOM 558 N MET A 37 3.324 2.677 21.381 1.00 0.00 N ATOM 559 CA MET A 37 4.749 2.565 21.011 1.00 0.00 C ATOM 560 C MET A 37 5.413 3.902 20.614 1.00 0.00 C ATOM 561 O MET A 37 6.635 3.949 20.448 1.00 0.00 O ATOM 562 CB MET A 37 4.950 1.552 19.873 1.00 0.00 C ATOM 563 CG MET A 37 4.465 0.137 20.214 1.00 0.00 C ATOM 564 SD MET A 37 5.438 -1.211 19.476 1.00 0.00 S ATOM 565 CE MET A 37 5.592 -0.633 17.765 1.00 0.00 C ATOM 0 H MET A 37 2.686 2.413 20.630 1.00 0.00 H new ATOM 0 HA MET A 37 5.242 2.221 21.921 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.421 1.904 18.987 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.009 1.512 19.617 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.472 0.018 21.298 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.429 0.037 19.889 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.888 -1.464 17.125 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.634 -0.238 17.427 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.347 0.152 17.713 1.00 0.00 H new ATOM 575 N GLY A 38 4.643 4.987 20.458 1.00 0.00 N ATOM 576 CA GLY A 38 5.120 6.337 20.122 1.00 0.00 C ATOM 577 C GLY A 38 4.629 6.896 18.777 1.00 0.00 C ATOM 578 O GLY A 38 4.956 8.041 18.445 1.00 0.00 O ATOM 0 H GLY A 38 3.630 4.948 20.567 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.812 7.020 20.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.210 6.327 20.116 1.00 0.00 H new ATOM 582 N PHE A 39 3.854 6.133 17.997 1.00 0.00 N ATOM 583 CA PHE A 39 3.191 6.618 16.779 1.00 0.00 C ATOM 584 C PHE A 39 2.084 7.658 17.085 1.00 0.00 C ATOM 585 O PHE A 39 1.597 7.761 18.214 1.00 0.00 O ATOM 586 CB PHE A 39 2.594 5.428 16.016 1.00 0.00 C ATOM 587 CG PHE A 39 3.584 4.467 15.377 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.215 4.812 14.167 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.829 3.200 15.940 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.085 3.905 13.537 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.683 2.287 15.303 1.00 0.00 C ATOM 592 CZ PHE A 39 5.309 2.636 14.098 1.00 0.00 C ATOM 0 H PHE A 39 3.667 5.150 18.195 1.00 0.00 H new ATOM 0 HA PHE A 39 3.943 7.119 16.169 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.965 4.863 16.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.942 5.817 15.234 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.030 5.778 13.721 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.355 2.928 16.871 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.582 4.184 12.620 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.858 1.315 15.741 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.961 1.932 13.603 1.00 0.00 H new ATOM 602 N SER A 40 1.649 8.405 16.067 1.00 0.00 N ATOM 603 CA SER A 40 0.576 9.412 16.155 1.00 0.00 C ATOM 604 C SER A 40 -0.794 8.825 15.798 1.00 0.00 C ATOM 605 O SER A 40 -0.901 8.072 14.829 1.00 0.00 O ATOM 606 CB SER A 40 0.877 10.570 15.187 1.00 0.00 C ATOM 607 OG SER A 40 2.098 11.208 15.521 1.00 0.00 O ATOM 0 H SER A 40 2.042 8.327 15.129 1.00 0.00 H new ATOM 0 HA SER A 40 0.543 9.763 17.186 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.928 10.191 14.166 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.064 11.295 15.218 1.00 0.00 H new ATOM 0 HG SER A 40 2.268 11.939 14.891 1.00 0.00 H new ATOM 613 N PHE A 41 -1.860 9.226 16.506 1.00 0.00 N ATOM 614 CA PHE A 41 -3.254 8.818 16.236 1.00 0.00 C ATOM 615 C PHE A 41 -3.650 8.989 14.764 1.00 0.00 C ATOM 616 O PHE A 41 -4.209 8.068 14.163 1.00 0.00 O ATOM 617 CB PHE A 41 -4.235 9.582 17.153 1.00 0.00 C ATOM 618 CG PHE A 41 -4.678 8.812 18.383 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.667 7.816 18.260 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.122 9.088 19.647 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.090 7.096 19.390 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.546 8.365 20.778 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.528 7.367 20.650 1.00 0.00 C ATOM 0 H PHE A 41 -1.779 9.858 17.302 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.315 7.752 16.457 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.764 10.512 17.472 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.117 9.854 16.573 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.101 7.605 17.294 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.369 9.856 19.749 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.848 6.333 19.291 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.116 8.577 21.746 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.850 6.810 21.517 1.00 0.00 H new ATOM 633 N LYS A 42 -3.319 10.151 14.180 1.00 0.00 N ATOM 634 CA LYS A 42 -3.579 10.490 12.774 1.00 0.00 C ATOM 635 C LYS A 42 -3.002 9.461 11.802 1.00 0.00 C ATOM 636 O LYS A 42 -3.696 9.040 10.883 1.00 0.00 O ATOM 637 CB LYS A 42 -3.084 11.919 12.480 1.00 0.00 C ATOM 638 CG LYS A 42 -3.509 12.411 11.082 1.00 0.00 C ATOM 639 CD LYS A 42 -2.414 12.311 10.002 1.00 0.00 C ATOM 640 CE LYS A 42 -1.391 13.457 10.048 1.00 0.00 C ATOM 641 NZ LYS A 42 -1.999 14.771 9.691 1.00 0.00 N ATOM 0 H LYS A 42 -2.850 10.901 14.688 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.657 10.461 12.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.476 12.599 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.997 11.948 12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.375 11.834 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.829 13.450 11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.889 11.363 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.886 12.297 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.961 13.518 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.573 13.239 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.246 15.471 9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.561 14.669 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.615 15.090 10.466 1.00 0.00 H new ATOM 655 N ASP A 43 -1.761 9.027 12.013 1.00 0.00 N ATOM 656 CA ASP A 43 -1.116 8.024 11.162 1.00 0.00 C ATOM 657 C ASP A 43 -1.807 6.653 11.255 1.00 0.00 C ATOM 658 O ASP A 43 -1.958 5.991 10.230 1.00 0.00 O ATOM 659 CB ASP A 43 0.378 7.894 11.497 1.00 0.00 C ATOM 660 CG ASP A 43 1.235 9.106 11.048 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.829 9.887 10.156 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.348 9.251 11.591 1.00 0.00 O ATOM 0 H ASP A 43 -1.173 9.359 12.777 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.215 8.372 10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.488 7.764 12.574 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.768 6.992 11.025 1.00 0.00 H new ATOM 667 N ILE A 44 -2.263 6.239 12.443 1.00 0.00 N ATOM 668 CA ILE A 44 -2.935 4.937 12.591 1.00 0.00 C ATOM 669 C ILE A 44 -4.302 4.925 11.895 1.00 0.00 C ATOM 670 O ILE A 44 -4.563 4.039 11.083 1.00 0.00 O ATOM 671 CB ILE A 44 -3.082 4.452 14.048 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.935 4.806 15.013 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.252 2.922 14.000 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.529 4.454 14.539 1.00 0.00 C ATOM 0 H ILE A 44 -2.182 6.776 13.306 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.267 4.229 12.099 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.942 4.981 14.459 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.972 5.877 15.212 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.115 4.299 15.961 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.360 2.536 15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.141 2.673 13.420 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.376 2.473 13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.195 4.749 15.298 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.460 3.379 14.370 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.316 4.982 13.610 1.00 0.00 H new ATOM 686 N LYS A 45 -5.180 5.905 12.171 1.00 0.00 N ATOM 687 CA LYS A 45 -6.494 5.997 11.499 1.00 0.00 C ATOM 688 C LYS A 45 -6.358 6.108 9.976 1.00 0.00 C ATOM 689 O LYS A 45 -7.078 5.417 9.256 1.00 0.00 O ATOM 690 CB LYS A 45 -7.390 7.086 12.128 1.00 0.00 C ATOM 691 CG LYS A 45 -6.847 8.527 12.130 1.00 0.00 C ATOM 692 CD LYS A 45 -7.261 9.401 10.931 1.00 0.00 C ATOM 693 CE LYS A 45 -8.678 9.986 11.039 1.00 0.00 C ATOM 694 NZ LYS A 45 -8.789 11.044 12.082 1.00 0.00 N ATOM 0 H LYS A 45 -5.007 6.644 12.852 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.016 5.056 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.344 7.085 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.595 6.801 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.178 9.018 13.045 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.758 8.485 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.549 10.220 10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.194 8.805 10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.969 10.402 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.381 9.184 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.741 11.461 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.622 10.626 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.081 11.784 11.902 1.00 0.00 H new ATOM 708 N LYS A 46 -5.382 6.888 9.494 1.00 0.00 N ATOM 709 CA LYS A 46 -5.020 7.038 8.075 1.00 0.00 C ATOM 710 C LYS A 46 -4.565 5.716 7.449 1.00 0.00 C ATOM 711 O LYS A 46 -5.096 5.331 6.408 1.00 0.00 O ATOM 712 CB LYS A 46 -3.969 8.155 7.966 1.00 0.00 C ATOM 713 CG LYS A 46 -3.386 8.442 6.579 1.00 0.00 C ATOM 714 CD LYS A 46 -4.386 8.827 5.473 1.00 0.00 C ATOM 715 CE LYS A 46 -4.571 7.678 4.470 1.00 0.00 C ATOM 716 NZ LYS A 46 -4.933 8.157 3.111 1.00 0.00 N ATOM 0 H LYS A 46 -4.797 7.457 10.106 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.898 7.323 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.416 9.076 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.144 7.907 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.659 9.249 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.839 7.558 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.347 9.082 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.031 9.716 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.649 7.099 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.348 7.006 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.567 7.492 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.968 8.217 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.518 9.097 2.952 1.00 0.00 H new ATOM 730 N ILE A 47 -3.610 5.002 8.052 1.00 0.00 N ATOM 731 CA ILE A 47 -3.146 3.728 7.483 1.00 0.00 C ATOM 732 C ILE A 47 -4.214 2.627 7.552 1.00 0.00 C ATOM 733 O ILE A 47 -4.330 1.841 6.615 1.00 0.00 O ATOM 734 CB ILE A 47 -1.787 3.285 8.071 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.042 2.496 6.975 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.917 2.483 9.381 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.362 2.038 7.365 1.00 0.00 C ATOM 0 H ILE A 47 -3.148 5.276 8.919 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.974 3.907 6.422 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.217 4.169 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.635 1.621 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.972 3.117 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.925 2.205 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.415 3.094 10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.503 1.582 9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.810 1.492 6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.976 2.907 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.303 1.388 8.238 1.00 0.00 H new ATOM 749 N MET A 48 -5.033 2.592 8.611 1.00 0.00 N ATOM 750 CA MET A 48 -6.178 1.684 8.734 1.00 0.00 C ATOM 751 C MET A 48 -7.208 1.925 7.627 1.00 0.00 C ATOM 752 O MET A 48 -7.507 1.002 6.870 1.00 0.00 O ATOM 753 CB MET A 48 -6.837 1.814 10.115 1.00 0.00 C ATOM 754 CG MET A 48 -6.022 1.136 11.222 1.00 0.00 C ATOM 755 SD MET A 48 -6.847 -0.308 11.943 1.00 0.00 S ATOM 756 CE MET A 48 -5.416 -1.128 12.686 1.00 0.00 C ATOM 0 H MET A 48 -4.916 3.204 9.419 1.00 0.00 H new ATOM 0 HA MET A 48 -5.799 0.668 8.625 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.963 2.870 10.356 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.834 1.374 10.081 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.058 0.829 10.817 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.820 1.861 12.010 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.636 -2.186 12.828 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.554 -1.022 12.028 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.195 -0.671 13.651 1.00 0.00 H new ATOM 766 N GLU A 49 -7.743 3.146 7.503 1.00 0.00 N ATOM 767 CA GLU A 49 -8.740 3.454 6.470 1.00 0.00 C ATOM 768 C GLU A 49 -8.206 3.184 5.054 1.00 0.00 C ATOM 769 O GLU A 49 -8.918 2.597 4.242 1.00 0.00 O ATOM 770 CB GLU A 49 -9.331 4.871 6.628 1.00 0.00 C ATOM 771 CG GLU A 49 -8.417 6.021 6.184 1.00 0.00 C ATOM 772 CD GLU A 49 -9.056 7.400 6.441 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.048 7.749 5.753 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.545 8.163 7.296 1.00 0.00 O ATOM 0 H GLU A 49 -7.503 3.935 8.103 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.572 2.765 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.258 4.925 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.593 5.022 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.468 5.956 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.194 5.917 5.122 1.00 0.00 H new ATOM 781 N GLU A 50 -6.943 3.525 4.765 1.00 0.00 N ATOM 782 CA GLU A 50 -6.329 3.239 3.466 1.00 0.00 C ATOM 783 C GLU A 50 -6.146 1.735 3.213 1.00 0.00 C ATOM 784 O GLU A 50 -6.521 1.258 2.144 1.00 0.00 O ATOM 785 CB GLU A 50 -5.010 4.007 3.305 1.00 0.00 C ATOM 786 CG GLU A 50 -4.483 3.878 1.866 1.00 0.00 C ATOM 787 CD GLU A 50 -3.496 5.003 1.513 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.936 6.174 1.437 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.294 4.712 1.281 1.00 0.00 O ATOM 0 H GLU A 50 -6.324 4.003 5.420 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.022 3.590 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.162 5.058 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.270 3.621 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.991 2.913 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.321 3.899 1.169 1.00 0.00 H new ATOM 796 N LYS A 51 -5.629 0.963 4.180 1.00 0.00 N ATOM 797 CA LYS A 51 -5.482 -0.498 4.059 1.00 0.00 C ATOM 798 C LYS A 51 -6.815 -1.172 3.732 1.00 0.00 C ATOM 799 O LYS A 51 -6.886 -1.947 2.778 1.00 0.00 O ATOM 800 CB LYS A 51 -4.845 -1.071 5.338 1.00 0.00 C ATOM 801 CG LYS A 51 -4.597 -2.589 5.307 1.00 0.00 C ATOM 802 CD LYS A 51 -3.670 -3.026 4.160 1.00 0.00 C ATOM 803 CE LYS A 51 -3.219 -4.486 4.307 1.00 0.00 C ATOM 804 NZ LYS A 51 -2.111 -4.632 5.286 1.00 0.00 N ATOM 0 H LYS A 51 -5.300 1.334 5.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.815 -0.711 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.896 -0.565 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.491 -0.839 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.161 -2.899 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.552 -3.105 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.187 -2.901 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.794 -2.377 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.065 -5.096 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.898 -4.865 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.156 -5.575 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.199 -4.520 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.201 -3.904 6.023 1.00 0.00 H new ATOM 818 N ILE A 52 -7.874 -0.848 4.476 1.00 0.00 N ATOM 819 CA ILE A 52 -9.223 -1.388 4.256 1.00 0.00 C ATOM 820 C ILE A 52 -9.775 -0.948 2.885 1.00 0.00 C ATOM 821 O ILE A 52 -10.309 -1.779 2.152 1.00 0.00 O ATOM 822 CB ILE A 52 -10.169 -1.000 5.416 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.634 -1.465 6.795 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.563 -1.621 5.199 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.262 -0.688 7.961 1.00 0.00 C ATOM 0 H ILE A 52 -7.822 -0.196 5.258 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.161 -2.476 4.243 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.229 0.088 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.837 -2.529 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.551 -1.342 6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.219 -1.340 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.982 -1.256 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.475 -2.707 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.853 -1.053 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.037 0.373 7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.342 -0.832 7.954 1.00 0.00 H new ATOM 837 N GLN A 53 -9.620 0.326 2.504 1.00 0.00 N ATOM 838 CA GLN A 53 -10.081 0.873 1.219 1.00 0.00 C ATOM 839 C GLN A 53 -9.388 0.221 0.003 1.00 0.00 C ATOM 840 O GLN A 53 -10.054 -0.116 -0.978 1.00 0.00 O ATOM 841 CB GLN A 53 -9.877 2.401 1.230 1.00 0.00 C ATOM 842 CG GLN A 53 -10.463 3.139 0.015 1.00 0.00 C ATOM 843 CD GLN A 53 -11.986 3.030 -0.089 1.00 0.00 C ATOM 844 OE1 GLN A 53 -12.723 3.117 0.885 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.529 2.834 -1.273 1.00 0.00 N ATOM 0 H GLN A 53 -9.161 1.021 3.092 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.140 0.640 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.327 2.807 2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.809 2.610 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.185 4.191 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.015 2.738 -0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.936 2.758 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.542 2.758 -1.363 1.00 0.00 H new ATOM 854 N ILE A 54 -8.061 0.054 0.052 1.00 0.00 N ATOM 855 CA ILE A 54 -7.231 -0.491 -1.035 1.00 0.00 C ATOM 856 C ILE A 54 -7.300 -2.029 -1.091 1.00 0.00 C ATOM 857 O ILE A 54 -7.613 -2.591 -2.142 1.00 0.00 O ATOM 858 CB ILE A 54 -5.776 0.028 -0.901 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.674 1.572 -1.019 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.827 -0.631 -1.919 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.080 2.180 -2.369 1.00 0.00 C ATOM 0 H ILE A 54 -7.515 0.302 0.877 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.629 -0.137 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.463 -0.255 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.297 2.016 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.645 1.864 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.820 -0.236 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.817 -1.710 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.171 -0.415 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.966 3.263 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.442 1.777 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.120 1.932 -2.582 1.00 0.00 H new ATOM 873 N SER A 55 -6.997 -2.722 0.016 1.00 0.00 N ATOM 874 CA SER A 55 -6.917 -4.195 0.079 1.00 0.00 C ATOM 875 C SER A 55 -8.294 -4.870 0.186 1.00 0.00 C ATOM 876 O SER A 55 -8.557 -5.862 -0.499 1.00 0.00 O ATOM 877 CB SER A 55 -6.049 -4.623 1.270 1.00 0.00 C ATOM 878 OG SER A 55 -5.776 -6.013 1.218 1.00 0.00 O ATOM 0 H SER A 55 -6.797 -2.271 0.909 1.00 0.00 H new ATOM 0 HA SER A 55 -6.468 -4.522 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.114 -4.063 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.559 -4.382 2.203 1.00 0.00 H new ATOM 0 HG SER A 55 -5.220 -6.266 1.985 1.00 0.00 H new ATOM 884 N GLY A 56 -9.183 -4.329 1.028 1.00 0.00 N ATOM 885 CA GLY A 56 -10.544 -4.830 1.287 1.00 0.00 C ATOM 886 C GLY A 56 -10.794 -5.323 2.723 1.00 0.00 C ATOM 887 O GLY A 56 -11.945 -5.572 3.086 1.00 0.00 O ATOM 0 H GLY A 56 -8.967 -3.494 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.256 -4.036 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.751 -5.648 0.597 1.00 0.00 H new ATOM 891 N SER A 57 -9.750 -5.461 3.551 1.00 0.00 N ATOM 892 CA SER A 57 -9.824 -5.919 4.951 1.00 0.00 C ATOM 893 C SER A 57 -8.788 -5.235 5.861 1.00 0.00 C ATOM 894 O SER A 57 -7.867 -4.563 5.388 1.00 0.00 O ATOM 895 CB SER A 57 -9.675 -7.448 5.008 1.00 0.00 C ATOM 896 OG SER A 57 -8.400 -7.872 4.549 1.00 0.00 O ATOM 0 H SER A 57 -8.796 -5.250 3.257 1.00 0.00 H new ATOM 0 HA SER A 57 -10.803 -5.633 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.824 -7.790 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.452 -7.912 4.401 1.00 0.00 H new ATOM 0 HG SER A 57 -8.342 -8.849 4.601 1.00 0.00 H new ATOM 902 N ASN A 58 -8.947 -5.384 7.182 1.00 0.00 N ATOM 903 CA ASN A 58 -8.052 -4.822 8.203 1.00 0.00 C ATOM 904 C ASN A 58 -6.803 -5.714 8.439 1.00 0.00 C ATOM 905 O ASN A 58 -6.725 -6.854 7.970 1.00 0.00 O ATOM 906 CB ASN A 58 -8.886 -4.585 9.485 1.00 0.00 C ATOM 907 CG ASN A 58 -8.373 -3.439 10.351 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.184 -3.226 10.516 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.242 -2.625 10.901 1.00 0.00 N ATOM 0 H ASN A 58 -9.722 -5.913 7.582 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.645 -3.869 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.919 -4.380 9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.893 -5.500 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.918 -1.832 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.241 -2.785 10.775 1.00 0.00 H new ATOM 916 N TYR A 59 -5.823 -5.202 9.184 1.00 0.00 N ATOM 917 CA TYR A 59 -4.573 -5.850 9.591 1.00 0.00 C ATOM 918 C TYR A 59 -4.779 -7.137 10.414 1.00 0.00 C ATOM 919 O TYR A 59 -5.753 -7.282 11.156 1.00 0.00 O ATOM 920 CB TYR A 59 -3.735 -4.828 10.378 1.00 0.00 C ATOM 921 CG TYR A 59 -3.107 -3.760 9.504 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.868 -4.024 8.895 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.751 -2.525 9.281 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.272 -3.064 8.060 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.157 -1.562 8.439 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.920 -1.838 7.821 1.00 0.00 C ATOM 927 OH TYR A 59 -1.368 -0.954 6.951 1.00 0.00 O ATOM 0 H TYR A 59 -5.886 -4.251 9.547 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.053 -6.170 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.368 -4.349 11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.948 -5.354 10.918 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.373 -4.968 9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.699 -2.317 9.755 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.316 -3.267 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.648 -0.616 8.268 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.822 -1.020 6.085 1.00 0.00 H new ATOM 937 N LYS A 60 -3.827 -8.075 10.292 1.00 0.00 N ATOM 938 CA LYS A 60 -3.813 -9.377 10.987 1.00 0.00 C ATOM 939 C LYS A 60 -3.281 -9.277 12.422 1.00 0.00 C ATOM 940 O LYS A 60 -3.948 -9.717 13.361 1.00 0.00 O ATOM 941 CB LYS A 60 -2.982 -10.389 10.172 1.00 0.00 C ATOM 942 CG LYS A 60 -3.467 -10.667 8.737 1.00 0.00 C ATOM 943 CD LYS A 60 -4.848 -11.343 8.631 1.00 0.00 C ATOM 944 CE LYS A 60 -6.047 -10.382 8.692 1.00 0.00 C ATOM 945 NZ LYS A 60 -6.188 -9.579 7.450 1.00 0.00 N ATOM 0 H LYS A 60 -3.017 -7.946 9.686 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.845 -9.720 11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.955 -10.028 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.962 -11.333 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.499 -9.723 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.732 -11.298 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.893 -11.898 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.943 -12.070 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.960 -10.954 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.930 -9.712 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.387 -8.589 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.305 -9.628 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.971 -9.957 6.879 1.00 0.00 H new ATOM 959 N SER A 61 -2.091 -8.696 12.579 1.00 0.00 N ATOM 960 CA SER A 61 -1.358 -8.542 13.845 1.00 0.00 C ATOM 961 C SER A 61 -0.569 -7.228 13.860 1.00 0.00 C ATOM 962 O SER A 61 -0.357 -6.615 12.810 1.00 0.00 O ATOM 963 CB SER A 61 -0.378 -9.712 14.041 1.00 0.00 C ATOM 964 OG SER A 61 -1.043 -10.966 14.046 1.00 0.00 O ATOM 0 H SER A 61 -1.583 -8.298 11.789 1.00 0.00 H new ATOM 0 HA SER A 61 -2.089 -8.533 14.654 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.366 -9.699 13.245 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.159 -9.582 14.981 1.00 0.00 H new ATOM 0 HG SER A 61 -0.387 -11.684 14.171 1.00 0.00 H new ATOM 970 N LEU A 62 -0.090 -6.814 15.041 1.00 0.00 N ATOM 971 CA LEU A 62 0.712 -5.597 15.204 1.00 0.00 C ATOM 972 C LEU A 62 1.971 -5.616 14.331 1.00 0.00 C ATOM 973 O LEU A 62 2.327 -4.579 13.791 1.00 0.00 O ATOM 974 CB LEU A 62 1.103 -5.370 16.682 1.00 0.00 C ATOM 975 CG LEU A 62 0.028 -4.809 17.634 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.544 -3.477 17.145 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.128 -5.774 17.889 1.00 0.00 C ATOM 0 H LEU A 62 -0.250 -7.318 15.914 1.00 0.00 H new ATOM 0 HA LEU A 62 0.083 -4.769 14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.445 -6.322 17.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.955 -4.691 16.702 1.00 0.00 H new ATOM 0 HG LEU A 62 0.557 -4.656 18.575 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.297 -3.124 17.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.257 -2.742 17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.001 -3.615 16.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.845 -5.312 18.567 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.621 -6.009 16.945 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.745 -6.691 18.336 1.00 0.00 H new ATOM 989 N GLU A 63 2.600 -6.779 14.128 1.00 0.00 N ATOM 990 CA GLU A 63 3.786 -6.954 13.274 1.00 0.00 C ATOM 991 C GLU A 63 3.605 -6.337 11.876 1.00 0.00 C ATOM 992 O GLU A 63 4.447 -5.561 11.425 1.00 0.00 O ATOM 993 CB GLU A 63 4.122 -8.451 13.130 1.00 0.00 C ATOM 994 CG GLU A 63 4.461 -9.160 14.449 1.00 0.00 C ATOM 995 CD GLU A 63 5.677 -8.540 15.164 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.792 -8.528 14.585 1.00 0.00 O ATOM 997 OE2 GLU A 63 5.532 -8.069 16.319 1.00 0.00 O ATOM 0 H GLU A 63 2.292 -7.649 14.563 1.00 0.00 H new ATOM 0 HA GLU A 63 4.606 -6.429 13.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.274 -8.957 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.966 -8.556 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.596 -9.119 15.111 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.660 -10.213 14.250 1.00 0.00 H new ATOM 1004 N VAL A 64 2.492 -6.655 11.204 1.00 0.00 N ATOM 1005 CA VAL A 64 2.153 -6.119 9.874 1.00 0.00 C ATOM 1006 C VAL A 64 1.802 -4.631 9.961 1.00 0.00 C ATOM 1007 O VAL A 64 2.256 -3.843 9.130 1.00 0.00 O ATOM 1008 CB VAL A 64 0.997 -6.905 9.218 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.838 -6.526 7.740 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.217 -8.422 9.272 1.00 0.00 C ATOM 0 H VAL A 64 1.791 -7.299 11.570 1.00 0.00 H new ATOM 0 HA VAL A 64 3.035 -6.236 9.244 1.00 0.00 H new ATOM 0 HB VAL A 64 0.106 -6.642 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.017 -7.095 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.624 -5.460 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.760 -6.753 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.376 -8.929 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.137 -8.675 8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.294 -8.742 10.311 1.00 0.00 H new ATOM 1020 N LEU A 65 1.028 -4.236 10.982 1.00 0.00 N ATOM 1021 CA LEU A 65 0.604 -2.852 11.222 1.00 0.00 C ATOM 1022 C LEU A 65 1.811 -1.905 11.379 1.00 0.00 C ATOM 1023 O LEU A 65 1.928 -0.923 10.649 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.336 -2.802 12.451 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.514 -1.804 12.371 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -2.036 -1.545 13.787 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.195 -0.450 11.745 1.00 0.00 C ATOM 0 H LEU A 65 0.671 -4.888 11.681 1.00 0.00 H new ATOM 0 HA LEU A 65 0.052 -2.499 10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.743 -3.800 12.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.261 -2.557 13.329 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.243 -2.280 11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.868 -0.842 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.375 -2.483 14.227 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.237 -1.126 14.398 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.092 0.169 11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.416 0.045 12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.849 -0.595 10.722 1.00 0.00 H new ATOM 1039 N VAL A 66 2.725 -2.198 12.311 1.00 0.00 N ATOM 1040 CA VAL A 66 3.896 -1.359 12.635 1.00 0.00 C ATOM 1041 C VAL A 66 4.943 -1.343 11.521 1.00 0.00 C ATOM 1042 O VAL A 66 5.550 -0.299 11.279 1.00 0.00 O ATOM 1043 CB VAL A 66 4.529 -1.707 13.999 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.471 -1.678 15.115 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.296 -3.035 14.021 1.00 0.00 C ATOM 0 H VAL A 66 2.674 -3.045 12.878 1.00 0.00 H new ATOM 0 HA VAL A 66 3.505 -0.345 12.718 1.00 0.00 H new ATOM 0 HB VAL A 66 5.274 -0.932 14.178 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.940 -1.926 16.067 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.033 -0.682 15.175 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.690 -2.405 14.895 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.708 -3.201 15.017 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.619 -3.851 13.768 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.108 -2.999 13.294 1.00 0.00 H new ATOM 1055 N ALA A 67 5.119 -2.454 10.797 1.00 0.00 N ATOM 1056 CA ALA A 67 5.952 -2.514 9.597 1.00 0.00 C ATOM 1057 C ALA A 67 5.410 -1.586 8.495 1.00 0.00 C ATOM 1058 O ALA A 67 6.146 -0.747 7.970 1.00 0.00 O ATOM 1059 CB ALA A 67 6.049 -3.968 9.117 1.00 0.00 C ATOM 0 H ALA A 67 4.681 -3.345 11.033 1.00 0.00 H new ATOM 0 HA ALA A 67 6.954 -2.160 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.670 -4.015 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.495 -4.581 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.052 -4.342 8.887 1.00 0.00 H new ATOM 1065 N ASP A 68 4.119 -1.702 8.164 1.00 0.00 N ATOM 1066 CA ASP A 68 3.476 -0.847 7.160 1.00 0.00 C ATOM 1067 C ASP A 68 3.421 0.630 7.602 1.00 0.00 C ATOM 1068 O ASP A 68 3.594 1.506 6.756 1.00 0.00 O ATOM 1069 CB ASP A 68 2.090 -1.396 6.769 1.00 0.00 C ATOM 1070 CG ASP A 68 2.132 -2.655 5.867 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.231 -3.139 5.502 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.048 -3.146 5.463 1.00 0.00 O ATOM 0 H ASP A 68 3.492 -2.389 8.583 1.00 0.00 H new ATOM 0 HA ASP A 68 4.096 -0.870 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.537 -1.633 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.535 -0.613 6.253 1.00 0.00 H new ATOM 1077 N LEU A 69 3.279 0.928 8.903 1.00 0.00 N ATOM 1078 CA LEU A 69 3.404 2.280 9.470 1.00 0.00 C ATOM 1079 C LEU A 69 4.770 2.910 9.181 1.00 0.00 C ATOM 1080 O LEU A 69 4.817 3.956 8.530 1.00 0.00 O ATOM 1081 CB LEU A 69 3.135 2.282 10.986 1.00 0.00 C ATOM 1082 CG LEU A 69 1.651 2.313 11.380 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.502 1.925 12.849 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.051 3.714 11.208 1.00 0.00 C ATOM 0 H LEU A 69 3.069 0.219 9.606 1.00 0.00 H new ATOM 0 HA LEU A 69 2.645 2.888 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.593 1.395 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.631 3.147 11.427 1.00 0.00 H new ATOM 0 HG LEU A 69 1.128 1.612 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.448 1.948 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.896 0.920 13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.056 2.630 13.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.000 3.698 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.589 4.420 11.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.137 4.021 10.166 1.00 0.00 H new ATOM 1096 N VAL A 70 5.878 2.313 9.645 1.00 0.00 N ATOM 1097 CA VAL A 70 7.215 2.890 9.394 1.00 0.00 C ATOM 1098 C VAL A 70 7.523 2.984 7.898 1.00 0.00 C ATOM 1099 O VAL A 70 8.075 3.989 7.459 1.00 0.00 O ATOM 1100 CB VAL A 70 8.366 2.194 10.149 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.144 2.247 11.662 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.617 0.737 9.747 1.00 0.00 C ATOM 0 H VAL A 70 5.881 1.448 10.186 1.00 0.00 H new ATOM 0 HA VAL A 70 7.160 3.898 9.805 1.00 0.00 H new ATOM 0 HB VAL A 70 9.252 2.760 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.971 1.749 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.093 3.286 11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.210 1.743 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.444 0.335 10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.719 0.148 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.866 0.690 8.687 1.00 0.00 H new ATOM 1112 N ASN A 71 7.105 1.995 7.099 1.00 0.00 N ATOM 1113 CA ASN A 71 7.213 2.006 5.639 1.00 0.00 C ATOM 1114 C ASN A 71 6.467 3.199 5.008 1.00 0.00 C ATOM 1115 O ASN A 71 7.044 3.933 4.206 1.00 0.00 O ATOM 1116 CB ASN A 71 6.703 0.659 5.105 1.00 0.00 C ATOM 1117 CG ASN A 71 6.753 0.585 3.589 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.812 0.530 2.980 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.616 0.592 2.930 1.00 0.00 N ATOM 0 H ASN A 71 6.672 1.145 7.461 1.00 0.00 H new ATOM 0 HA ASN A 71 8.258 2.136 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.304 -0.147 5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.678 0.502 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.617 0.552 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.733 0.638 3.438 1.00 0.00 H new ATOM 1126 N ALA A 72 5.202 3.419 5.378 1.00 0.00 N ATOM 1127 CA ALA A 72 4.388 4.539 4.906 1.00 0.00 C ATOM 1128 C ALA A 72 4.980 5.905 5.307 1.00 0.00 C ATOM 1129 O ALA A 72 5.076 6.801 4.469 1.00 0.00 O ATOM 1130 CB ALA A 72 2.955 4.371 5.427 1.00 0.00 C ATOM 0 H ALA A 72 4.706 2.809 6.028 1.00 0.00 H new ATOM 0 HA ALA A 72 4.381 4.526 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.342 5.202 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.540 3.434 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.963 4.357 6.517 1.00 0.00 H new ATOM 1136 N GLN A 73 5.422 6.058 6.562 1.00 0.00 N ATOM 1137 CA GLN A 73 6.033 7.289 7.091 1.00 0.00 C ATOM 1138 C GLN A 73 7.343 7.706 6.387 1.00 0.00 C ATOM 1139 O GLN A 73 7.732 8.874 6.483 1.00 0.00 O ATOM 1140 CB GLN A 73 6.301 7.133 8.597 1.00 0.00 C ATOM 1141 CG GLN A 73 5.034 7.194 9.472 1.00 0.00 C ATOM 1142 CD GLN A 73 5.367 7.053 10.957 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.283 6.352 11.371 1.00 0.00 O ATOM 1144 NE2 GLN A 73 4.684 7.722 11.855 1.00 0.00 N ATOM 0 H GLN A 73 5.364 5.313 7.256 1.00 0.00 H new ATOM 0 HA GLN A 73 5.311 8.082 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.803 6.181 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.988 7.917 8.916 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.519 8.140 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.348 6.400 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.911 8.321 11.566 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.926 7.643 12.843 1.00 0.00 H new