USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 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= 0.0181 X(o=-0.33,f=-0.4) USER MOD Set 1.2: A 48 MET CE :methyl 174:sc= -0.0224 (180deg=-0.032) USER MOD Set 1.3: A 58 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.8) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -165:sc= 1.45 (180deg=0.385) USER MOD Set 2.2: A 55 SER OG : rot -15:sc= 0.504 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 MET CE :methyl 170:sc= -0.0298 (180deg=-0.333) USER MOD Single : A 32 GLN : amide:sc= 0.0164 K(o=0.016,f=-1.1) USER MOD Single : A 37 MET CE :methyl -168:sc= -0.276 (180deg=-0.854) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 0.26 (180deg=0.0118) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 12:sc= 0.104 USER MOD Single : A 59 TYR OH : rot -10:sc= 0.361 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0064) 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= -0.0369 X(o=-0.037,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 330 N ASP A 23 -14.053 6.377 13.106 1.00 0.00 N ATOM 331 CA ASP A 23 -14.787 5.264 13.726 1.00 0.00 C ATOM 332 C ASP A 23 -14.007 3.931 13.803 1.00 0.00 C ATOM 333 O ASP A 23 -14.296 3.111 14.681 1.00 0.00 O ATOM 334 CB ASP A 23 -16.154 5.088 13.048 1.00 0.00 C ATOM 335 CG ASP A 23 -16.059 4.722 11.557 1.00 0.00 C ATOM 336 OD1 ASP A 23 -15.994 5.651 10.713 1.00 0.00 O ATOM 337 OD2 ASP A 23 -16.089 3.515 11.221 1.00 0.00 O ATOM 0 HA ASP A 23 -14.933 5.546 14.769 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.712 4.310 13.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.723 6.012 13.151 1.00 0.00 H new ATOM 342 N THR A 24 -12.974 3.716 12.975 1.00 0.00 N ATOM 343 CA THR A 24 -12.107 2.525 13.074 1.00 0.00 C ATOM 344 C THR A 24 -11.279 2.499 14.371 1.00 0.00 C ATOM 345 O THR A 24 -10.971 1.419 14.877 1.00 0.00 O ATOM 346 CB THR A 24 -11.199 2.377 11.835 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.984 2.263 10.663 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.308 1.130 11.868 1.00 0.00 C ATOM 0 H THR A 24 -12.715 4.355 12.223 1.00 0.00 H new ATOM 0 HA THR A 24 -12.776 1.665 13.108 1.00 0.00 H new ATOM 0 HB THR A 24 -10.572 3.268 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.397 2.171 9.884 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.699 1.094 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.659 1.170 12.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.932 0.238 11.920 1.00 0.00 H new ATOM 356 N ILE A 25 -10.978 3.661 14.966 1.00 0.00 N ATOM 357 CA ILE A 25 -10.241 3.792 16.238 1.00 0.00 C ATOM 358 C ILE A 25 -10.973 3.058 17.378 1.00 0.00 C ATOM 359 O ILE A 25 -10.355 2.321 18.152 1.00 0.00 O ATOM 360 CB ILE A 25 -10.013 5.290 16.574 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.202 5.992 15.454 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.302 5.467 17.928 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.082 7.511 15.627 1.00 0.00 C ATOM 0 H ILE A 25 -11.246 4.562 14.569 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.265 3.320 16.127 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.996 5.756 16.643 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.202 5.561 15.420 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.673 5.782 14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.160 6.529 18.128 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.910 5.027 18.718 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.332 4.971 17.897 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.501 7.926 14.804 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.077 7.957 15.630 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.583 7.731 16.571 1.00 0.00 H new ATOM 375 N PHE A 26 -12.296 3.238 17.466 1.00 0.00 N ATOM 376 CA PHE A 26 -13.142 2.616 18.491 1.00 0.00 C ATOM 377 C PHE A 26 -13.411 1.120 18.220 1.00 0.00 C ATOM 378 O PHE A 26 -13.538 0.342 19.168 1.00 0.00 O ATOM 379 CB PHE A 26 -14.461 3.410 18.624 1.00 0.00 C ATOM 380 CG PHE A 26 -14.829 3.841 20.041 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.761 2.933 21.119 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.260 5.161 20.284 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.101 3.345 22.421 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.609 5.571 21.584 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.525 4.664 22.655 1.00 0.00 C ATOM 0 H PHE A 26 -12.817 3.829 16.817 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.601 2.653 19.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.394 4.300 17.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.273 2.801 18.226 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.446 1.915 20.944 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.323 5.863 19.466 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.036 2.646 23.242 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.942 6.583 21.759 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.786 4.980 23.654 1.00 0.00 H new ATOM 395 N GLN A 27 -13.489 0.694 16.950 1.00 0.00 N ATOM 396 CA GLN A 27 -13.866 -0.686 16.587 1.00 0.00 C ATOM 397 C GLN A 27 -12.699 -1.697 16.606 1.00 0.00 C ATOM 398 O GLN A 27 -12.948 -2.904 16.638 1.00 0.00 O ATOM 399 CB GLN A 27 -14.621 -0.694 15.240 1.00 0.00 C ATOM 400 CG GLN A 27 -13.743 -0.901 13.990 1.00 0.00 C ATOM 401 CD GLN A 27 -14.478 -0.663 12.667 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.675 -0.415 12.596 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.784 -0.742 11.548 1.00 0.00 N ATOM 0 H GLN A 27 -13.294 1.292 16.147 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.534 -1.038 17.373 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.373 -1.482 15.269 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.154 0.251 15.136 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.887 -0.229 14.044 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.351 -1.918 13.998 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.785 -0.947 11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.246 -0.598 10.650 1.00 0.00 H new ATOM 412 N ASN A 28 -11.442 -1.232 16.564 1.00 0.00 N ATOM 413 CA ASN A 28 -10.260 -2.064 16.313 1.00 0.00 C ATOM 414 C ASN A 28 -9.139 -1.822 17.357 1.00 0.00 C ATOM 415 O ASN A 28 -8.417 -0.825 17.254 1.00 0.00 O ATOM 416 CB ASN A 28 -9.803 -1.811 14.864 1.00 0.00 C ATOM 417 CG ASN A 28 -8.863 -2.893 14.367 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.177 -4.073 14.378 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.691 -2.536 13.902 1.00 0.00 N ATOM 0 H ASN A 28 -11.216 -0.248 16.707 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.514 -3.118 16.428 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.675 -1.761 14.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.305 -0.843 14.805 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.045 -3.243 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.425 -1.551 13.891 1.00 0.00 H new ATOM 426 N PRO A 29 -8.955 -2.701 18.365 1.00 0.00 N ATOM 427 CA PRO A 29 -8.072 -2.439 19.513 1.00 0.00 C ATOM 428 C PRO A 29 -6.571 -2.398 19.172 1.00 0.00 C ATOM 429 O PRO A 29 -5.783 -1.830 19.932 1.00 0.00 O ATOM 430 CB PRO A 29 -8.395 -3.540 20.530 1.00 0.00 C ATOM 431 CG PRO A 29 -8.884 -4.697 19.662 1.00 0.00 C ATOM 432 CD PRO A 29 -9.622 -3.986 18.529 1.00 0.00 C ATOM 0 HA PRO A 29 -8.261 -1.439 19.902 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.517 -3.819 21.112 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.159 -3.220 21.239 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.056 -5.300 19.289 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.542 -5.367 20.215 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.580 -4.569 17.609 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.676 -3.851 18.773 1.00 0.00 H new ATOM 440 N MET A 30 -6.168 -2.927 18.009 1.00 0.00 N ATOM 441 CA MET A 30 -4.804 -2.809 17.469 1.00 0.00 C ATOM 442 C MET A 30 -4.371 -1.349 17.246 1.00 0.00 C ATOM 443 O MET A 30 -3.173 -1.063 17.254 1.00 0.00 O ATOM 444 CB MET A 30 -4.700 -3.565 16.136 1.00 0.00 C ATOM 445 CG MET A 30 -4.841 -5.083 16.290 1.00 0.00 C ATOM 446 SD MET A 30 -4.949 -6.010 14.729 1.00 0.00 S ATOM 447 CE MET A 30 -3.447 -5.461 13.872 1.00 0.00 C ATOM 0 H MET A 30 -6.793 -3.460 17.404 1.00 0.00 H new ATOM 0 HA MET A 30 -4.137 -3.243 18.214 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.473 -3.202 15.459 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.739 -3.341 15.673 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.988 -5.456 16.858 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.733 -5.291 16.881 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.289 -6.075 12.986 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.558 -4.418 13.576 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.591 -5.560 14.539 1.00 0.00 H new ATOM 457 N VAL A 31 -5.324 -0.421 17.076 1.00 0.00 N ATOM 458 CA VAL A 31 -5.052 1.019 16.950 1.00 0.00 C ATOM 459 C VAL A 31 -4.349 1.539 18.205 1.00 0.00 C ATOM 460 O VAL A 31 -3.203 1.969 18.122 1.00 0.00 O ATOM 461 CB VAL A 31 -6.329 1.820 16.618 1.00 0.00 C ATOM 462 CG1 VAL A 31 -6.072 3.332 16.575 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.870 1.408 15.241 1.00 0.00 C ATOM 0 H VAL A 31 -6.316 -0.651 17.021 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.377 1.166 16.106 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.045 1.599 17.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.000 3.852 16.338 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.706 3.667 17.546 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.327 3.553 15.811 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.771 1.980 15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.116 1.607 14.479 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.108 0.344 15.247 1.00 0.00 H new ATOM 473 N GLN A 32 -4.990 1.452 19.374 1.00 0.00 N ATOM 474 CA GLN A 32 -4.472 1.974 20.650 1.00 0.00 C ATOM 475 C GLN A 32 -3.061 1.444 20.974 1.00 0.00 C ATOM 476 O GLN A 32 -2.190 2.203 21.405 1.00 0.00 O ATOM 477 CB GLN A 32 -5.459 1.634 21.785 1.00 0.00 C ATOM 478 CG GLN A 32 -6.684 2.566 21.874 1.00 0.00 C ATOM 479 CD GLN A 32 -7.552 2.598 20.616 1.00 0.00 C ATOM 480 OE1 GLN A 32 -7.379 3.434 19.745 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.502 1.703 20.452 1.00 0.00 N ATOM 0 H GLN A 32 -5.904 1.008 19.466 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.382 3.056 20.556 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.808 0.610 21.650 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.925 1.667 22.735 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.301 2.254 22.717 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.340 3.578 22.088 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.664 0.995 21.168 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.076 1.717 19.609 1.00 0.00 H new ATOM 490 N GLU A 33 -2.810 0.157 20.717 1.00 0.00 N ATOM 491 CA GLU A 33 -1.504 -0.494 20.888 1.00 0.00 C ATOM 492 C GLU A 33 -0.391 0.113 20.008 1.00 0.00 C ATOM 493 O GLU A 33 0.758 0.186 20.447 1.00 0.00 O ATOM 494 CB GLU A 33 -1.684 -1.999 20.624 1.00 0.00 C ATOM 495 CG GLU A 33 -0.411 -2.856 20.751 1.00 0.00 C ATOM 496 CD GLU A 33 0.266 -2.799 22.138 1.00 0.00 C ATOM 497 OE1 GLU A 33 -0.415 -2.547 23.163 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.493 -3.051 22.219 1.00 0.00 O ATOM 0 H GLU A 33 -3.529 -0.480 20.374 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.165 -0.325 21.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.430 -2.384 21.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.088 -2.127 19.620 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.663 -3.892 20.526 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.306 -2.532 19.997 1.00 0.00 H new ATOM 505 N ALA A 34 -0.706 0.596 18.800 1.00 0.00 N ATOM 506 CA ALA A 34 0.249 1.297 17.939 1.00 0.00 C ATOM 507 C ALA A 34 0.652 2.667 18.525 1.00 0.00 C ATOM 508 O ALA A 34 1.844 2.919 18.711 1.00 0.00 O ATOM 509 CB ALA A 34 -0.321 1.405 16.520 1.00 0.00 C ATOM 0 H ALA A 34 -1.637 0.510 18.392 1.00 0.00 H new ATOM 0 HA ALA A 34 1.171 0.718 17.888 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.391 1.927 15.881 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.501 0.406 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.259 1.959 16.546 1.00 0.00 H new ATOM 515 N ILE A 35 -0.309 3.536 18.883 1.00 0.00 N ATOM 516 CA ILE A 35 -0.018 4.828 19.547 1.00 0.00 C ATOM 517 C ILE A 35 0.837 4.632 20.808 1.00 0.00 C ATOM 518 O ILE A 35 1.776 5.394 21.044 1.00 0.00 O ATOM 519 CB ILE A 35 -1.306 5.631 19.871 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.007 6.132 18.586 1.00 0.00 C ATOM 521 CG2 ILE A 35 -1.016 6.861 20.755 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.194 5.250 18.208 1.00 0.00 C ATOM 0 H ILE A 35 -1.303 3.369 18.724 1.00 0.00 H new ATOM 0 HA ILE A 35 0.558 5.419 18.835 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.955 4.937 20.406 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.348 7.157 18.734 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.291 6.150 17.764 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.946 7.392 20.956 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.573 6.536 21.696 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.323 7.525 20.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.659 5.635 17.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.849 4.231 18.034 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.923 5.253 19.019 1.00 0.00 H new ATOM 534 N ARG A 36 0.567 3.580 21.593 1.00 0.00 N ATOM 535 CA ARG A 36 1.301 3.234 22.823 1.00 0.00 C ATOM 536 C ARG A 36 2.809 2.985 22.623 1.00 0.00 C ATOM 537 O ARG A 36 3.569 3.148 23.578 1.00 0.00 O ATOM 538 CB ARG A 36 0.575 2.052 23.490 1.00 0.00 C ATOM 539 CG ARG A 36 1.061 1.743 24.912 1.00 0.00 C ATOM 540 CD ARG A 36 0.109 0.749 25.585 1.00 0.00 C ATOM 541 NE ARG A 36 0.566 0.398 26.944 1.00 0.00 N ATOM 542 CZ ARG A 36 -0.142 -0.180 27.897 1.00 0.00 C ATOM 543 NH1 ARG A 36 -1.393 -0.509 27.732 1.00 0.00 N ATOM 544 NH2 ARG A 36 0.399 -0.442 29.053 1.00 0.00 N ATOM 0 H ARG A 36 -0.189 2.927 21.386 1.00 0.00 H new ATOM 0 HA ARG A 36 1.290 4.100 23.485 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.493 2.266 23.521 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.705 1.164 22.872 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.069 1.329 24.879 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.113 2.662 25.496 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.891 1.179 25.636 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.037 -0.154 24.979 1.00 0.00 H new ATOM 0 HE ARG A 36 1.534 0.627 27.172 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.857 -0.321 26.843 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.908 -0.954 28.492 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.375 -0.200 29.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.153 -0.889 29.785 1.00 0.00 H new ATOM 558 N MET A 37 3.271 2.668 21.406 1.00 0.00 N ATOM 559 CA MET A 37 4.708 2.584 21.074 1.00 0.00 C ATOM 560 C MET A 37 5.366 3.938 20.728 1.00 0.00 C ATOM 561 O MET A 37 6.591 4.007 20.610 1.00 0.00 O ATOM 562 CB MET A 37 4.953 1.606 19.914 1.00 0.00 C ATOM 563 CG MET A 37 4.426 0.190 20.174 1.00 0.00 C ATOM 564 SD MET A 37 5.355 -1.142 19.351 1.00 0.00 S ATOM 565 CE MET A 37 5.592 -0.445 17.693 1.00 0.00 C ATOM 0 H MET A 37 2.659 2.461 20.617 1.00 0.00 H new ATOM 0 HA MET A 37 5.178 2.223 21.989 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.481 1.999 19.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.023 1.554 19.715 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.434 0.007 21.249 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.386 0.141 19.850 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.952 -1.223 17.020 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.644 -0.056 17.323 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.323 0.363 17.739 1.00 0.00 H new ATOM 575 N GLY A 38 4.583 5.011 20.559 1.00 0.00 N ATOM 576 CA GLY A 38 5.046 6.375 20.253 1.00 0.00 C ATOM 577 C GLY A 38 4.533 6.969 18.930 1.00 0.00 C ATOM 578 O GLY A 38 4.840 8.126 18.632 1.00 0.00 O ATOM 0 H GLY A 38 3.567 4.953 20.634 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.744 7.033 21.068 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.136 6.373 20.232 1.00 0.00 H new ATOM 582 N PHE A 39 3.766 6.216 18.131 1.00 0.00 N ATOM 583 CA PHE A 39 3.104 6.718 16.916 1.00 0.00 C ATOM 584 C PHE A 39 1.971 7.729 17.218 1.00 0.00 C ATOM 585 O PHE A 39 1.509 7.859 18.355 1.00 0.00 O ATOM 586 CB PHE A 39 2.544 5.536 16.114 1.00 0.00 C ATOM 587 CG PHE A 39 3.559 4.641 15.428 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.245 5.104 14.288 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.760 3.318 15.869 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.125 4.251 13.598 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.631 2.463 15.175 1.00 0.00 C ATOM 592 CZ PHE A 39 5.309 2.928 14.039 1.00 0.00 C ATOM 0 H PHE A 39 3.584 5.229 18.311 1.00 0.00 H new ATOM 0 HA PHE A 39 3.857 7.252 16.336 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.946 4.921 16.786 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.868 5.929 15.355 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.095 6.116 13.943 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.241 2.960 16.746 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.659 4.611 12.731 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.779 1.449 15.516 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.974 2.269 13.501 1.00 0.00 H new ATOM 602 N SER A 40 1.482 8.415 16.180 1.00 0.00 N ATOM 603 CA SER A 40 0.412 9.426 16.245 1.00 0.00 C ATOM 604 C SER A 40 -0.945 8.849 15.819 1.00 0.00 C ATOM 605 O SER A 40 -1.034 8.222 14.762 1.00 0.00 O ATOM 606 CB SER A 40 0.760 10.591 15.307 1.00 0.00 C ATOM 607 OG SER A 40 2.037 11.134 15.612 1.00 0.00 O ATOM 0 H SER A 40 1.832 8.279 15.232 1.00 0.00 H new ATOM 0 HA SER A 40 0.336 9.762 17.279 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.747 10.245 14.273 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.001 11.369 15.393 1.00 0.00 H new ATOM 0 HG SER A 40 2.233 11.873 14.999 1.00 0.00 H new ATOM 613 N PHE A 41 -2.022 9.117 16.574 1.00 0.00 N ATOM 614 CA PHE A 41 -3.403 8.674 16.275 1.00 0.00 C ATOM 615 C PHE A 41 -3.811 8.908 14.813 1.00 0.00 C ATOM 616 O PHE A 41 -4.304 7.999 14.140 1.00 0.00 O ATOM 617 CB PHE A 41 -4.408 9.376 17.214 1.00 0.00 C ATOM 618 CG PHE A 41 -4.792 8.596 18.458 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.731 7.550 18.361 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.246 8.927 19.714 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.111 6.831 19.508 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.626 8.205 20.861 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.555 7.155 20.758 1.00 0.00 C ATOM 0 H PHE A 41 -1.960 9.662 17.434 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.422 7.597 16.444 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.985 10.332 17.522 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.314 9.596 16.649 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.160 7.300 17.402 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.535 9.736 19.797 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.830 6.029 19.429 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.203 8.458 21.822 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.841 6.598 21.638 1.00 0.00 H new ATOM 633 N LYS A 42 -3.561 10.126 14.320 1.00 0.00 N ATOM 634 CA LYS A 42 -3.825 10.576 12.944 1.00 0.00 C ATOM 635 C LYS A 42 -3.147 9.732 11.854 1.00 0.00 C ATOM 636 O LYS A 42 -3.710 9.604 10.770 1.00 0.00 O ATOM 637 CB LYS A 42 -3.534 12.089 12.830 1.00 0.00 C ATOM 638 CG LYS A 42 -2.129 12.564 13.264 1.00 0.00 C ATOM 639 CD LYS A 42 -1.039 12.445 12.195 1.00 0.00 C ATOM 640 CE LYS A 42 -1.208 13.498 11.101 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.231 13.276 10.011 1.00 0.00 N ATOM 0 H LYS A 42 -3.150 10.861 14.895 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.884 10.413 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.688 12.387 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.273 12.623 13.428 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.196 13.606 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.823 11.988 14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.059 12.556 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.071 11.450 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.222 13.457 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.071 14.494 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.659 13.543 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.615 13.857 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.038 12.272 9.985 1.00 0.00 H new ATOM 655 N ASP A 43 -1.992 9.122 12.131 1.00 0.00 N ATOM 656 CA ASP A 43 -1.295 8.235 11.189 1.00 0.00 C ATOM 657 C ASP A 43 -1.832 6.799 11.266 1.00 0.00 C ATOM 658 O ASP A 43 -1.979 6.148 10.228 1.00 0.00 O ATOM 659 CB ASP A 43 0.223 8.254 11.430 1.00 0.00 C ATOM 660 CG ASP A 43 0.885 9.590 11.040 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.497 10.201 10.014 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.807 10.034 11.762 1.00 0.00 O ATOM 0 H ASP A 43 -1.508 9.229 13.022 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.489 8.613 10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.419 8.053 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.685 7.448 10.860 1.00 0.00 H new ATOM 667 N ILE A 44 -2.193 6.313 12.464 1.00 0.00 N ATOM 668 CA ILE A 44 -2.802 4.983 12.617 1.00 0.00 C ATOM 669 C ILE A 44 -4.155 4.923 11.905 1.00 0.00 C ATOM 670 O ILE A 44 -4.386 4.021 11.100 1.00 0.00 O ATOM 671 CB ILE A 44 -2.961 4.533 14.086 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.767 4.836 15.008 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.232 3.015 14.093 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.405 4.425 14.460 1.00 0.00 C ATOM 0 H ILE A 44 -2.074 6.821 13.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.105 4.285 12.153 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.787 5.116 14.494 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.750 5.906 15.215 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.926 4.330 15.960 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.348 2.671 15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.144 2.806 13.535 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.395 2.494 13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.370 4.680 15.183 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.394 3.350 14.281 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.216 4.951 13.524 1.00 0.00 H new ATOM 686 N LYS A 45 -5.051 5.889 12.151 1.00 0.00 N ATOM 687 CA LYS A 45 -6.353 5.926 11.464 1.00 0.00 C ATOM 688 C LYS A 45 -6.210 6.083 9.946 1.00 0.00 C ATOM 689 O LYS A 45 -6.971 5.460 9.209 1.00 0.00 O ATOM 690 CB LYS A 45 -7.312 6.934 12.119 1.00 0.00 C ATOM 691 CG LYS A 45 -7.020 8.432 11.927 1.00 0.00 C ATOM 692 CD LYS A 45 -7.376 8.972 10.527 1.00 0.00 C ATOM 693 CE LYS A 45 -8.291 10.203 10.533 1.00 0.00 C ATOM 694 NZ LYS A 45 -7.667 11.373 11.199 1.00 0.00 N ATOM 0 H LYS A 45 -4.902 6.650 12.814 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.824 4.951 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.315 6.737 11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.331 6.731 13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.576 8.998 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.961 8.611 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.454 9.223 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.860 8.178 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.546 10.467 9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.224 9.956 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.326 12.178 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.447 11.134 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.790 11.629 10.701 1.00 0.00 H new ATOM 708 N LYS A 46 -5.209 6.844 9.475 1.00 0.00 N ATOM 709 CA LYS A 46 -4.907 7.021 8.046 1.00 0.00 C ATOM 710 C LYS A 46 -4.475 5.708 7.394 1.00 0.00 C ATOM 711 O LYS A 46 -5.018 5.345 6.350 1.00 0.00 O ATOM 712 CB LYS A 46 -3.870 8.146 7.844 1.00 0.00 C ATOM 713 CG LYS A 46 -3.438 8.357 6.379 1.00 0.00 C ATOM 714 CD LYS A 46 -4.577 8.809 5.440 1.00 0.00 C ATOM 715 CE LYS A 46 -4.598 8.026 4.119 1.00 0.00 C ATOM 716 NZ LYS A 46 -3.457 8.373 3.229 1.00 0.00 N ATOM 0 H LYS A 46 -4.577 7.361 10.086 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.823 7.327 7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.285 9.079 8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.987 7.921 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.642 9.102 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.017 7.426 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.533 8.683 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.467 9.872 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.574 6.958 4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.534 8.226 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.519 7.817 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.492 9.387 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.562 8.158 3.713 1.00 0.00 H new ATOM 730 N ILE A 47 -3.517 4.988 7.986 1.00 0.00 N ATOM 731 CA ILE A 47 -3.077 3.702 7.427 1.00 0.00 C ATOM 732 C ILE A 47 -4.173 2.629 7.518 1.00 0.00 C ATOM 733 O ILE A 47 -4.338 1.855 6.581 1.00 0.00 O ATOM 734 CB ILE A 47 -1.717 3.255 8.013 1.00 0.00 C ATOM 735 CG1 ILE A 47 -0.988 2.404 6.955 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.830 2.521 9.359 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.453 2.055 7.331 1.00 0.00 C ATOM 0 H ILE A 47 -3.036 5.267 8.841 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.903 3.848 6.361 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.138 4.149 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.546 1.481 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.986 2.942 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.835 2.240 9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.297 3.177 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.438 1.625 9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.901 1.455 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.028 2.972 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.459 1.488 8.262 1.00 0.00 H new ATOM 749 N MET A 48 -4.976 2.626 8.590 1.00 0.00 N ATOM 750 CA MET A 48 -6.156 1.765 8.748 1.00 0.00 C ATOM 751 C MET A 48 -7.196 1.996 7.648 1.00 0.00 C ATOM 752 O MET A 48 -7.548 1.053 6.939 1.00 0.00 O ATOM 753 CB MET A 48 -6.792 1.977 10.131 1.00 0.00 C ATOM 754 CG MET A 48 -6.026 1.246 11.235 1.00 0.00 C ATOM 755 SD MET A 48 -6.319 -0.541 11.249 1.00 0.00 S ATOM 756 CE MET A 48 -5.036 -1.047 12.419 1.00 0.00 C ATOM 0 H MET A 48 -4.819 3.237 9.391 1.00 0.00 H new ATOM 0 HA MET A 48 -5.814 0.734 8.661 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.822 3.043 10.356 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.824 1.626 10.113 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.959 1.431 11.111 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.311 1.661 12.202 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.137 -2.111 12.632 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.054 -0.855 11.987 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.143 -0.480 13.344 1.00 0.00 H new ATOM 766 N GLU A 49 -7.702 3.225 7.485 1.00 0.00 N ATOM 767 CA GLU A 49 -8.721 3.515 6.467 1.00 0.00 C ATOM 768 C GLU A 49 -8.215 3.218 5.046 1.00 0.00 C ATOM 769 O GLU A 49 -8.946 2.631 4.251 1.00 0.00 O ATOM 770 CB GLU A 49 -9.298 4.939 6.610 1.00 0.00 C ATOM 771 CG GLU A 49 -8.385 6.076 6.128 1.00 0.00 C ATOM 772 CD GLU A 49 -9.016 7.462 6.358 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.008 7.803 5.667 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.500 8.240 7.197 1.00 0.00 O ATOM 0 H GLU A 49 -7.424 4.032 8.043 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.552 2.833 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.235 4.989 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.539 5.110 7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.431 6.021 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.174 5.946 5.067 1.00 0.00 H new ATOM 781 N GLU A 50 -6.956 3.550 4.732 1.00 0.00 N ATOM 782 CA GLU A 50 -6.341 3.270 3.429 1.00 0.00 C ATOM 783 C GLU A 50 -6.176 1.761 3.180 1.00 0.00 C ATOM 784 O GLU A 50 -6.584 1.275 2.122 1.00 0.00 O ATOM 785 CB GLU A 50 -5.024 4.054 3.306 1.00 0.00 C ATOM 786 CG GLU A 50 -4.480 4.157 1.868 1.00 0.00 C ATOM 787 CD GLU A 50 -3.455 3.075 1.453 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.235 2.081 2.183 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.834 3.240 0.374 1.00 0.00 O ATOM 0 H GLU A 50 -6.330 4.025 5.382 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.008 3.613 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.175 5.060 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.271 3.578 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.323 4.115 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.016 5.136 1.745 1.00 0.00 H new ATOM 796 N LYS A 51 -5.681 0.998 4.168 1.00 0.00 N ATOM 797 CA LYS A 51 -5.607 -0.473 4.139 1.00 0.00 C ATOM 798 C LYS A 51 -6.972 -1.082 3.831 1.00 0.00 C ATOM 799 O LYS A 51 -7.097 -1.808 2.851 1.00 0.00 O ATOM 800 CB LYS A 51 -5.011 -0.997 5.461 1.00 0.00 C ATOM 801 CG LYS A 51 -4.992 -2.528 5.619 1.00 0.00 C ATOM 802 CD LYS A 51 -4.092 -3.247 4.601 1.00 0.00 C ATOM 803 CE LYS A 51 -3.925 -4.735 4.951 1.00 0.00 C ATOM 804 NZ LYS A 51 -5.161 -5.531 4.722 1.00 0.00 N ATOM 0 H LYS A 51 -5.312 1.397 5.031 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.941 -0.783 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.989 -0.627 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.578 -0.571 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.655 -2.776 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.009 -2.906 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.521 -3.152 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.114 -2.766 4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.115 -5.154 4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.630 -4.825 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.077 -6.449 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.981 -5.016 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.291 -5.685 3.702 1.00 0.00 H new ATOM 818 N ILE A 52 -7.996 -0.786 4.634 1.00 0.00 N ATOM 819 CA ILE A 52 -9.350 -1.340 4.466 1.00 0.00 C ATOM 820 C ILE A 52 -9.942 -0.955 3.098 1.00 0.00 C ATOM 821 O ILE A 52 -10.488 -1.814 2.406 1.00 0.00 O ATOM 822 CB ILE A 52 -10.263 -0.913 5.641 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.715 -1.426 6.997 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.695 -1.449 5.446 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.332 -0.700 8.201 1.00 0.00 C ATOM 0 H ILE A 52 -7.913 -0.150 5.427 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.284 -2.428 4.485 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.279 0.177 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.912 -2.495 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.633 -1.299 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.318 -1.136 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.109 -1.053 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.673 -2.538 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.911 -1.101 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.112 0.366 8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.412 -0.848 8.201 1.00 0.00 H new ATOM 837 N GLN A 53 -9.802 0.305 2.671 1.00 0.00 N ATOM 838 CA GLN A 53 -10.288 0.813 1.380 1.00 0.00 C ATOM 839 C GLN A 53 -9.657 0.097 0.168 1.00 0.00 C ATOM 840 O GLN A 53 -10.373 -0.286 -0.761 1.00 0.00 O ATOM 841 CB GLN A 53 -10.051 2.333 1.344 1.00 0.00 C ATOM 842 CG GLN A 53 -10.540 3.026 0.064 1.00 0.00 C ATOM 843 CD GLN A 53 -10.490 4.547 0.208 1.00 0.00 C ATOM 844 OE1 GLN A 53 -11.503 5.223 0.344 1.00 0.00 O ATOM 845 NE2 GLN A 53 -9.319 5.152 0.201 1.00 0.00 N ATOM 0 H GLN A 53 -9.335 1.020 3.228 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.354 0.601 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.551 2.786 2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.984 2.524 1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.922 2.717 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.560 2.712 -0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.464 4.607 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.268 6.165 0.308 1.00 0.00 H new ATOM 854 N ILE A 54 -8.331 -0.083 0.160 1.00 0.00 N ATOM 855 CA ILE A 54 -7.575 -0.695 -0.948 1.00 0.00 C ATOM 856 C ILE A 54 -7.628 -2.235 -0.908 1.00 0.00 C ATOM 857 O ILE A 54 -7.960 -2.873 -1.909 1.00 0.00 O ATOM 858 CB ILE A 54 -6.120 -0.160 -0.939 1.00 0.00 C ATOM 859 CG1 ILE A 54 -6.046 1.375 -1.149 1.00 0.00 C ATOM 860 CG2 ILE A 54 -5.233 -0.869 -1.979 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.521 1.901 -2.512 1.00 0.00 C ATOM 0 H ILE A 54 -7.737 0.198 0.940 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.045 -0.408 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.736 -0.384 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.640 1.855 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.013 1.691 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.223 -0.460 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.202 -1.937 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.645 -0.712 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.421 2.986 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.914 1.462 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.566 1.629 -2.663 1.00 0.00 H new ATOM 873 N SER A 55 -7.286 -2.841 0.233 1.00 0.00 N ATOM 874 CA SER A 55 -7.141 -4.296 0.431 1.00 0.00 C ATOM 875 C SER A 55 -8.473 -5.028 0.674 1.00 0.00 C ATOM 876 O SER A 55 -8.602 -6.212 0.352 1.00 0.00 O ATOM 877 CB SER A 55 -6.205 -4.511 1.629 1.00 0.00 C ATOM 878 OG SER A 55 -5.861 -5.865 1.863 1.00 0.00 O ATOM 0 H SER A 55 -7.093 -2.313 1.084 1.00 0.00 H new ATOM 0 HA SER A 55 -6.736 -4.720 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.291 -3.938 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.680 -4.109 2.524 1.00 0.00 H new ATOM 0 HG SER A 55 -6.469 -6.448 1.362 1.00 0.00 H new ATOM 884 N GLY A 56 -9.477 -4.338 1.229 1.00 0.00 N ATOM 885 CA GLY A 56 -10.809 -4.873 1.554 1.00 0.00 C ATOM 886 C GLY A 56 -10.966 -5.415 2.985 1.00 0.00 C ATOM 887 O GLY A 56 -12.082 -5.759 3.380 1.00 0.00 O ATOM 0 H GLY A 56 -9.382 -3.353 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.547 -4.086 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.043 -5.673 0.852 1.00 0.00 H new ATOM 891 N SER A 57 -9.882 -5.497 3.768 1.00 0.00 N ATOM 892 CA SER A 57 -9.857 -5.960 5.171 1.00 0.00 C ATOM 893 C SER A 57 -8.779 -5.247 5.999 1.00 0.00 C ATOM 894 O SER A 57 -7.829 -4.682 5.451 1.00 0.00 O ATOM 895 CB SER A 57 -9.603 -7.478 5.222 1.00 0.00 C ATOM 896 OG SER A 57 -10.754 -8.208 4.823 1.00 0.00 O ATOM 0 H SER A 57 -8.956 -5.232 3.431 1.00 0.00 H new ATOM 0 HA SER A 57 -10.829 -5.722 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.766 -7.731 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.319 -7.767 6.234 1.00 0.00 H new ATOM 0 HG SER A 57 -11.407 -7.596 4.424 1.00 0.00 H new ATOM 902 N ASN A 58 -8.908 -5.308 7.330 1.00 0.00 N ATOM 903 CA ASN A 58 -7.975 -4.757 8.325 1.00 0.00 C ATOM 904 C ASN A 58 -6.585 -5.448 8.301 1.00 0.00 C ATOM 905 O ASN A 58 -6.345 -6.385 7.531 1.00 0.00 O ATOM 906 CB ASN A 58 -8.670 -4.857 9.705 1.00 0.00 C ATOM 907 CG ASN A 58 -8.160 -3.841 10.715 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.129 -4.004 11.350 1.00 0.00 O ATOM 909 ND2 ASN A 58 -8.843 -2.735 10.876 1.00 0.00 N ATOM 0 H ASN A 58 -9.708 -5.767 7.767 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.754 -3.716 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.743 -4.720 9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.524 -5.860 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.513 -2.022 11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.705 -2.587 10.352 1.00 0.00 H new ATOM 916 N TYR A 59 -5.654 -4.994 9.144 1.00 0.00 N ATOM 917 CA TYR A 59 -4.370 -5.654 9.402 1.00 0.00 C ATOM 918 C TYR A 59 -4.529 -6.969 10.193 1.00 0.00 C ATOM 919 O TYR A 59 -5.451 -7.132 10.996 1.00 0.00 O ATOM 920 CB TYR A 59 -3.440 -4.670 10.135 1.00 0.00 C ATOM 921 CG TYR A 59 -2.803 -3.671 9.189 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.784 -4.122 8.331 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.249 -2.334 9.113 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.226 -3.256 7.377 1.00 0.00 C ATOM 925 CE2 TYR A 59 -2.683 -1.459 8.163 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.678 -1.924 7.285 1.00 0.00 C ATOM 927 OH TYR A 59 -1.164 -1.106 6.329 1.00 0.00 O ATOM 0 H TYR A 59 -5.775 -4.135 9.680 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.929 -5.933 8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.007 -4.136 10.897 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.659 -5.227 10.652 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.429 -5.139 8.406 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.022 -1.982 9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.451 -3.610 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.017 -0.434 8.106 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.392 -1.539 5.909 1.00 0.00 H new ATOM 937 N LYS A 60 -3.601 -7.909 9.968 1.00 0.00 N ATOM 938 CA LYS A 60 -3.568 -9.255 10.576 1.00 0.00 C ATOM 939 C LYS A 60 -3.105 -9.225 12.038 1.00 0.00 C ATOM 940 O LYS A 60 -3.818 -9.693 12.927 1.00 0.00 O ATOM 941 CB LYS A 60 -2.654 -10.169 9.733 1.00 0.00 C ATOM 942 CG LYS A 60 -3.243 -10.504 8.349 1.00 0.00 C ATOM 943 CD LYS A 60 -4.319 -11.605 8.387 1.00 0.00 C ATOM 944 CE LYS A 60 -3.738 -13.015 8.586 1.00 0.00 C ATOM 945 NZ LYS A 60 -3.054 -13.517 7.363 1.00 0.00 N ATOM 0 H LYS A 60 -2.819 -7.750 9.332 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.584 -9.649 10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.687 -9.684 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.474 -11.095 10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.675 -9.600 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.437 -10.818 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.020 -11.391 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.887 -11.581 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.032 -13.002 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.539 -13.701 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.722 -14.489 7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.720 -13.507 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.241 -12.906 7.144 1.00 0.00 H new ATOM 959 N SER A 61 -1.916 -8.664 12.265 1.00 0.00 N ATOM 960 CA SER A 61 -1.227 -8.551 13.559 1.00 0.00 C ATOM 961 C SER A 61 -0.447 -7.235 13.639 1.00 0.00 C ATOM 962 O SER A 61 -0.210 -6.583 12.616 1.00 0.00 O ATOM 963 CB SER A 61 -0.247 -9.723 13.744 1.00 0.00 C ATOM 964 OG SER A 61 -0.925 -10.971 13.728 1.00 0.00 O ATOM 0 H SER A 61 -1.373 -8.251 11.507 1.00 0.00 H new ATOM 0 HA SER A 61 -1.981 -8.574 14.346 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.501 -9.703 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.286 -9.608 14.688 1.00 0.00 H new ATOM 0 HG SER A 61 -0.277 -11.697 13.846 1.00 0.00 H new ATOM 970 N LEU A 62 0.000 -6.859 14.844 1.00 0.00 N ATOM 971 CA LEU A 62 0.781 -5.634 15.065 1.00 0.00 C ATOM 972 C LEU A 62 2.071 -5.609 14.234 1.00 0.00 C ATOM 973 O LEU A 62 2.436 -4.548 13.747 1.00 0.00 O ATOM 974 CB LEU A 62 1.106 -5.433 16.561 1.00 0.00 C ATOM 975 CG LEU A 62 -0.026 -4.940 17.489 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.683 -3.655 16.984 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.118 -5.983 17.726 1.00 0.00 C ATOM 0 H LEU A 62 -0.170 -7.396 15.695 1.00 0.00 H new ATOM 0 HA LEU A 62 0.155 -4.806 14.731 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.470 -6.382 16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.929 -4.722 16.631 1.00 0.00 H new ATOM 0 HG LEU A 62 0.476 -4.743 18.436 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.471 -3.354 17.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.065 -2.865 16.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.112 -3.829 15.997 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.880 -5.569 18.386 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.573 -6.256 16.774 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.681 -6.869 18.187 1.00 0.00 H new ATOM 989 N GLU A 63 2.722 -6.755 14.007 1.00 0.00 N ATOM 990 CA GLU A 63 3.935 -6.868 13.176 1.00 0.00 C ATOM 991 C GLU A 63 3.757 -6.247 11.779 1.00 0.00 C ATOM 992 O GLU A 63 4.570 -5.421 11.358 1.00 0.00 O ATOM 993 CB GLU A 63 4.357 -8.339 13.030 1.00 0.00 C ATOM 994 CG GLU A 63 4.794 -8.975 14.356 1.00 0.00 C ATOM 995 CD GLU A 63 5.345 -10.399 14.130 1.00 0.00 C ATOM 996 OE1 GLU A 63 4.559 -11.314 13.779 1.00 0.00 O ATOM 997 OE2 GLU A 63 6.569 -10.619 14.312 1.00 0.00 O ATOM 0 H GLU A 63 2.420 -7.646 14.400 1.00 0.00 H new ATOM 0 HA GLU A 63 4.715 -6.308 13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.525 -8.910 12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.176 -8.406 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.558 -8.356 14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.948 -9.013 15.042 1.00 0.00 H new ATOM 1004 N VAL A 64 2.681 -6.615 11.071 1.00 0.00 N ATOM 1005 CA VAL A 64 2.344 -6.072 9.743 1.00 0.00 C ATOM 1006 C VAL A 64 2.000 -4.582 9.845 1.00 0.00 C ATOM 1007 O VAL A 64 2.494 -3.775 9.057 1.00 0.00 O ATOM 1008 CB VAL A 64 1.178 -6.838 9.081 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.036 -6.445 7.605 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.370 -8.360 9.125 1.00 0.00 C ATOM 0 H VAL A 64 2.010 -7.306 11.406 1.00 0.00 H new ATOM 0 HA VAL A 64 3.224 -6.198 9.112 1.00 0.00 H new ATOM 0 HB VAL A 64 0.289 -6.568 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.208 -6.997 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.840 -5.375 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.958 -6.683 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.521 -8.848 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.286 -8.627 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.439 -8.688 10.162 1.00 0.00 H new ATOM 1020 N LEU A 65 1.186 -4.213 10.841 1.00 0.00 N ATOM 1021 CA LEU A 65 0.742 -2.842 11.101 1.00 0.00 C ATOM 1022 C LEU A 65 1.940 -1.884 11.278 1.00 0.00 C ATOM 1023 O LEU A 65 2.063 -0.897 10.551 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.191 -2.844 12.335 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.331 -1.804 12.345 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.784 -1.589 13.790 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -0.975 -0.440 11.759 1.00 0.00 C ATOM 0 H LEU A 65 0.807 -4.884 11.509 1.00 0.00 H new ATOM 0 HA LEU A 65 0.185 -2.471 10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.635 -3.836 12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.420 -2.687 13.224 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.110 -2.219 11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.590 -0.856 13.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.140 -2.533 14.204 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.945 -1.225 14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.843 0.217 11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.153 -0.003 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.674 -0.559 10.718 1.00 0.00 H new ATOM 1039 N VAL A 66 2.842 -2.172 12.226 1.00 0.00 N ATOM 1040 CA VAL A 66 3.992 -1.313 12.568 1.00 0.00 C ATOM 1041 C VAL A 66 5.056 -1.278 11.470 1.00 0.00 C ATOM 1042 O VAL A 66 5.635 -0.219 11.232 1.00 0.00 O ATOM 1043 CB VAL A 66 4.611 -1.639 13.944 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.540 -1.607 15.045 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.390 -2.960 13.992 1.00 0.00 C ATOM 0 H VAL A 66 2.795 -3.022 12.788 1.00 0.00 H new ATOM 0 HA VAL A 66 3.578 -0.308 12.644 1.00 0.00 H new ATOM 0 HB VAL A 66 5.347 -0.855 14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.999 -1.840 16.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.092 -0.614 15.088 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.768 -2.344 14.823 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.790 -3.110 14.995 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.723 -3.785 13.740 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.210 -2.925 13.275 1.00 0.00 H new ATOM 1055 N ALA A 67 5.274 -2.386 10.752 1.00 0.00 N ATOM 1056 CA ALA A 67 6.134 -2.419 9.567 1.00 0.00 C ATOM 1057 C ALA A 67 5.604 -1.485 8.463 1.00 0.00 C ATOM 1058 O ALA A 67 6.347 -0.657 7.932 1.00 0.00 O ATOM 1059 CB ALA A 67 6.257 -3.865 9.074 1.00 0.00 C ATOM 0 H ALA A 67 4.856 -3.288 10.979 1.00 0.00 H new ATOM 0 HA ALA A 67 7.125 -2.053 9.834 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.896 -3.895 8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.693 -4.481 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.269 -4.248 8.819 1.00 0.00 H new ATOM 1065 N ASP A 68 4.311 -1.581 8.139 1.00 0.00 N ATOM 1066 CA ASP A 68 3.669 -0.708 7.154 1.00 0.00 C ATOM 1067 C ASP A 68 3.625 0.763 7.611 1.00 0.00 C ATOM 1068 O ASP A 68 3.808 1.644 6.776 1.00 0.00 O ATOM 1069 CB ASP A 68 2.268 -1.230 6.797 1.00 0.00 C ATOM 1070 CG ASP A 68 2.265 -2.371 5.760 1.00 0.00 C ATOM 1071 OD1 ASP A 68 3.282 -3.087 5.582 1.00 0.00 O ATOM 1072 OD2 ASP A 68 1.225 -2.533 5.077 1.00 0.00 O ATOM 0 H ASP A 68 3.680 -2.267 8.553 1.00 0.00 H new ATOM 0 HA ASP A 68 4.282 -0.731 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.780 -1.579 7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.671 -0.403 6.413 1.00 0.00 H new ATOM 1077 N LEU A 69 3.467 1.053 8.910 1.00 0.00 N ATOM 1078 CA LEU A 69 3.588 2.408 9.475 1.00 0.00 C ATOM 1079 C LEU A 69 4.973 3.019 9.233 1.00 0.00 C ATOM 1080 O LEU A 69 5.064 4.091 8.628 1.00 0.00 O ATOM 1081 CB LEU A 69 3.274 2.406 10.981 1.00 0.00 C ATOM 1082 CG LEU A 69 1.778 2.394 11.326 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.604 2.027 12.798 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.138 3.769 11.108 1.00 0.00 C ATOM 0 H LEU A 69 3.248 0.344 9.610 1.00 0.00 H new ATOM 0 HA LEU A 69 2.856 3.027 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.744 1.534 11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.730 3.286 11.434 1.00 0.00 H new ATOM 0 HG LEU A 69 1.294 1.667 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.543 2.017 13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.029 1.040 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.116 2.762 13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.079 3.722 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.631 4.505 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.248 4.060 10.063 1.00 0.00 H new ATOM 1096 N VAL A 70 6.054 2.371 9.695 1.00 0.00 N ATOM 1097 CA VAL A 70 7.419 2.910 9.516 1.00 0.00 C ATOM 1098 C VAL A 70 7.822 3.022 8.042 1.00 0.00 C ATOM 1099 O VAL A 70 8.627 3.886 7.701 1.00 0.00 O ATOM 1100 CB VAL A 70 8.509 2.165 10.314 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.219 2.172 11.815 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.754 0.721 9.866 1.00 0.00 C ATOM 0 H VAL A 70 6.015 1.481 10.191 1.00 0.00 H new ATOM 0 HA VAL A 70 7.359 3.914 9.936 1.00 0.00 H new ATOM 0 HB VAL A 70 9.418 2.727 10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.010 1.637 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.177 3.201 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.263 1.683 12.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.536 0.277 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.835 0.145 9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.066 0.712 8.822 1.00 0.00 H new ATOM 1112 N ASN A 71 7.252 2.195 7.161 1.00 0.00 N ATOM 1113 CA ASN A 71 7.366 2.327 5.710 1.00 0.00 C ATOM 1114 C ASN A 71 6.608 3.569 5.194 1.00 0.00 C ATOM 1115 O ASN A 71 7.216 4.458 4.598 1.00 0.00 O ATOM 1116 CB ASN A 71 6.878 1.021 5.062 1.00 0.00 C ATOM 1117 CG ASN A 71 7.057 1.043 3.554 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.162 0.954 3.039 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.987 1.166 2.801 1.00 0.00 N ATOM 0 H ASN A 71 6.685 1.396 7.446 1.00 0.00 H new ATOM 0 HA ASN A 71 8.408 2.486 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.428 0.179 5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.826 0.866 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.078 1.187 1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.066 1.240 3.232 1.00 0.00 H new ATOM 1126 N ALA A 72 5.299 3.657 5.453 1.00 0.00 N ATOM 1127 CA ALA A 72 4.415 4.724 4.979 1.00 0.00 C ATOM 1128 C ALA A 72 4.850 6.134 5.423 1.00 0.00 C ATOM 1129 O ALA A 72 4.697 7.091 4.662 1.00 0.00 O ATOM 1130 CB ALA A 72 2.983 4.421 5.437 1.00 0.00 C ATOM 0 H ALA A 72 4.810 2.963 6.018 1.00 0.00 H new ATOM 0 HA ALA A 72 4.472 4.737 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.315 5.209 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.663 3.465 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.952 4.373 6.525 1.00 0.00 H new ATOM 1136 N GLN A 73 5.410 6.282 6.631 1.00 0.00 N ATOM 1137 CA GLN A 73 5.940 7.565 7.114 1.00 0.00 C ATOM 1138 C GLN A 73 7.347 7.905 6.572 1.00 0.00 C ATOM 1139 O GLN A 73 7.735 9.076 6.600 1.00 0.00 O ATOM 1140 CB GLN A 73 5.835 7.635 8.648 1.00 0.00 C ATOM 1141 CG GLN A 73 6.851 6.780 9.427 1.00 0.00 C ATOM 1142 CD GLN A 73 8.125 7.543 9.793 1.00 0.00 C ATOM 1143 OE1 GLN A 73 9.194 7.329 9.240 1.00 0.00 O ATOM 1144 NE2 GLN A 73 8.069 8.451 10.745 1.00 0.00 N ATOM 0 H GLN A 73 5.508 5.518 7.300 1.00 0.00 H new ATOM 0 HA GLN A 73 5.313 8.356 6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.952 8.674 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.831 7.328 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.382 6.411 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.116 5.908 8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.185 8.642 11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.910 8.964 11.011 1.00 0.00 H new