USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot 76:sc= -1.2 USER MOD Set 1.2: A 133 GLN : amide:sc= -0.124 X(o=-1.3,f=-1.8) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.91 K(o=-1.9,f=-3!) USER MOD Single : A 61 GLN : amide:sc= -1.04 K(o=-1,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc=-0.00337 (180deg=-0.0954) USER MOD Single : A 71 GLN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 73 THR OG1 : rot -102:sc= 0.0426 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 82 MET CE :methyl -130:sc= -1.68 (180deg=-1.97) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.633 K(o=-0.63,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -34:sc= 0.298 USER MOD Single : A 100 MET CE :methyl 166:sc= -0.302 (180deg=-0.548) USER MOD Single : A 101 SER OG : rot 180:sc= -0.337 USER MOD Single : A 110 LYS NZ :NH3+ 176:sc= -0.0537 (180deg=-0.0706) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.652 -7.116 7.267 1.00 0.00 N ATOM 414 CA GLY A 55 6.938 -7.755 5.991 1.00 0.00 C ATOM 415 C GLY A 55 7.429 -6.768 4.936 1.00 0.00 C ATOM 416 O GLY A 55 7.866 -7.176 3.859 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.692 -8.529 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.038 -8.251 5.628 1.00 0.00 H new ATOM 420 N PHE A 56 7.360 -5.470 5.252 1.00 0.00 N ATOM 421 CA PHE A 56 7.802 -4.423 4.337 1.00 0.00 C ATOM 422 C PHE A 56 9.206 -3.950 4.701 1.00 0.00 C ATOM 423 O PHE A 56 10.068 -3.833 3.833 1.00 0.00 O ATOM 424 CB PHE A 56 6.826 -3.240 4.348 1.00 0.00 C ATOM 425 CG PHE A 56 7.096 -2.223 3.271 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.300 -2.620 1.958 1.00 0.00 C ATOM 427 CD2 PHE A 56 7.146 -0.871 3.572 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.549 -1.689 0.967 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.394 0.065 2.583 1.00 0.00 C ATOM 430 CZ PHE A 56 7.595 -0.346 1.280 1.00 0.00 C ATOM 0 H PHE A 56 6.999 -5.123 6.141 1.00 0.00 H new ATOM 0 HA PHE A 56 7.824 -4.842 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.810 -3.617 4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.875 -2.749 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.264 -3.670 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.990 -0.544 4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.707 -2.013 -0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.430 1.116 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.788 0.383 0.507 1.00 0.00 H new ATOM 440 N THR A 57 9.425 -3.683 5.993 1.00 0.00 N ATOM 441 CA THR A 57 10.728 -3.231 6.482 1.00 0.00 C ATOM 442 C THR A 57 11.839 -4.210 6.093 1.00 0.00 C ATOM 443 O THR A 57 12.974 -3.798 5.852 1.00 0.00 O ATOM 444 CB THR A 57 10.725 -3.040 8.014 1.00 0.00 C ATOM 445 OG1 THR A 57 9.638 -2.189 8.401 1.00 0.00 O ATOM 446 CG2 THR A 57 12.037 -2.436 8.495 1.00 0.00 C ATOM 0 H THR A 57 8.714 -3.773 6.719 1.00 0.00 H new ATOM 0 HA THR A 57 10.923 -2.268 6.010 1.00 0.00 H new ATOM 0 HB THR A 57 10.605 -4.021 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.643 -2.075 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.006 -2.313 9.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.861 -3.097 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.185 -1.464 8.024 1.00 0.00 H new ATOM 454 N LYS A 58 11.509 -5.505 6.031 1.00 0.00 N ATOM 455 CA LYS A 58 12.483 -6.527 5.639 1.00 0.00 C ATOM 456 C LYS A 58 12.999 -6.255 4.228 1.00 0.00 C ATOM 457 O LYS A 58 14.150 -6.556 3.905 1.00 0.00 O ATOM 458 CB LYS A 58 11.866 -7.930 5.718 1.00 0.00 C ATOM 459 CG LYS A 58 10.596 -8.102 4.890 1.00 0.00 C ATOM 460 CD LYS A 58 10.899 -8.567 3.472 1.00 0.00 C ATOM 461 CE LYS A 58 11.442 -9.988 3.449 1.00 0.00 C ATOM 462 NZ LYS A 58 11.744 -10.447 2.065 1.00 0.00 N ATOM 0 H LYS A 58 10.580 -5.868 6.246 1.00 0.00 H new ATOM 0 HA LYS A 58 13.321 -6.483 6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.605 -8.659 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.641 -8.158 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.941 -8.825 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.056 -7.156 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.992 -8.515 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.624 -7.893 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.347 -10.040 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.715 -10.661 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.111 -11.419 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.875 -10.422 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.456 -9.820 1.639 1.00 0.00 H new ATOM 476 N GLU A 59 12.130 -5.689 3.390 1.00 0.00 N ATOM 477 CA GLU A 59 12.486 -5.344 2.022 1.00 0.00 C ATOM 478 C GLU A 59 13.205 -3.996 1.996 1.00 0.00 C ATOM 479 O GLU A 59 14.169 -3.811 1.254 1.00 0.00 O ATOM 480 CB GLU A 59 11.230 -5.283 1.148 1.00 0.00 C ATOM 481 CG GLU A 59 11.505 -4.842 -0.281 1.00 0.00 C ATOM 482 CD GLU A 59 10.259 -4.811 -1.141 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.424 -3.900 -0.945 1.00 0.00 O ATOM 484 OE2 GLU A 59 10.122 -5.690 -2.017 1.00 0.00 O ATOM 0 H GLU A 59 11.168 -5.460 3.642 1.00 0.00 H new ATOM 0 HA GLU A 59 13.152 -6.111 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.760 -6.266 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.515 -4.596 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.956 -3.850 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.233 -5.518 -0.730 1.00 0.00 H new ATOM 491 N GLN A 60 12.716 -3.060 2.815 1.00 0.00 N ATOM 492 CA GLN A 60 13.301 -1.722 2.913 1.00 0.00 C ATOM 493 C GLN A 60 14.770 -1.788 3.328 1.00 0.00 C ATOM 494 O GLN A 60 15.564 -0.927 2.954 1.00 0.00 O ATOM 495 CB GLN A 60 12.521 -0.875 3.924 1.00 0.00 C ATOM 496 CG GLN A 60 11.026 -0.817 3.653 1.00 0.00 C ATOM 497 CD GLN A 60 10.686 -0.049 2.393 1.00 0.00 C ATOM 498 OE1 GLN A 60 10.639 -0.615 1.302 1.00 0.00 O ATOM 499 NE2 GLN A 60 10.438 1.248 2.538 1.00 0.00 N ATOM 0 H GLN A 60 11.911 -3.207 3.423 1.00 0.00 H new ATOM 0 HA GLN A 60 13.241 -1.261 1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.684 -1.278 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.921 0.139 3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.637 -1.832 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.525 -0.352 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.488 1.677 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.197 1.815 1.725 1.00 0.00 H new ATOM 508 N GLN A 61 15.122 -2.806 4.116 1.00 0.00 N ATOM 509 CA GLN A 61 16.503 -2.981 4.573 1.00 0.00 C ATOM 510 C GLN A 61 17.338 -3.734 3.537 1.00 0.00 C ATOM 511 O GLN A 61 18.510 -3.416 3.328 1.00 0.00 O ATOM 512 CB GLN A 61 16.537 -3.713 5.919 1.00 0.00 C ATOM 513 CG GLN A 61 15.973 -5.125 5.873 1.00 0.00 C ATOM 514 CD GLN A 61 15.933 -5.782 7.239 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.884 -6.448 7.649 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.829 -5.595 7.955 1.00 0.00 N ATOM 0 H GLN A 61 14.474 -3.519 4.450 1.00 0.00 H new ATOM 0 HA GLN A 61 16.939 -1.990 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.568 -3.756 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.975 -3.132 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.965 -5.096 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.578 -5.732 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.064 -5.036 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.746 -6.011 8.883 1.00 0.00 H new ATOM 525 N ARG A 62 16.732 -4.731 2.891 1.00 0.00 N ATOM 526 CA ARG A 62 17.420 -5.523 1.872 1.00 0.00 C ATOM 527 C ARG A 62 17.739 -4.679 0.634 1.00 0.00 C ATOM 528 O ARG A 62 18.817 -4.802 0.050 1.00 0.00 O ATOM 529 CB ARG A 62 16.562 -6.725 1.467 1.00 0.00 C ATOM 530 CG ARG A 62 17.255 -7.674 0.502 1.00 0.00 C ATOM 531 CD ARG A 62 16.337 -8.812 0.078 1.00 0.00 C ATOM 532 NE ARG A 62 15.974 -9.678 1.201 1.00 0.00 N ATOM 533 CZ ARG A 62 15.118 -10.698 1.112 1.00 0.00 C ATOM 534 NH1 ARG A 62 14.521 -10.983 -0.043 1.00 0.00 N ATOM 535 NH2 ARG A 62 14.857 -11.438 2.185 1.00 0.00 N ATOM 0 H ARG A 62 15.765 -5.009 3.056 1.00 0.00 H new ATOM 0 HA ARG A 62 18.359 -5.874 2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.278 -7.276 2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.641 -6.365 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.582 -7.122 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.149 -8.083 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.432 -8.399 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.829 -9.406 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 62 16.402 -9.490 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.716 -10.420 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.868 -11.765 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.311 -11.226 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.203 -12.218 2.120 1.00 0.00 H new ATOM 549 N LEU A 63 16.793 -3.822 0.245 1.00 0.00 N ATOM 550 CA LEU A 63 16.948 -2.958 -0.926 1.00 0.00 C ATOM 551 C LEU A 63 17.436 -1.557 -0.550 1.00 0.00 C ATOM 552 O LEU A 63 18.142 -0.915 -1.330 1.00 0.00 O ATOM 553 CB LEU A 63 15.609 -2.843 -1.664 1.00 0.00 C ATOM 554 CG LEU A 63 14.935 -4.173 -2.008 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.599 -3.933 -2.690 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.840 -5.019 -2.891 1.00 0.00 C ATOM 0 H LEU A 63 15.903 -3.708 0.730 1.00 0.00 H new ATOM 0 HA LEU A 63 17.701 -3.414 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.925 -2.256 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.769 -2.286 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 63 14.755 -4.716 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.134 -4.890 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.947 -3.368 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.756 -3.368 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.343 -5.961 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.052 -4.482 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.774 -5.222 -2.367 1.00 0.00 H new ATOM 568 N GLY A 64 17.061 -1.086 0.641 1.00 0.00 N ATOM 569 CA GLY A 64 17.455 0.246 1.075 1.00 0.00 C ATOM 570 C GLY A 64 16.341 1.274 0.904 1.00 0.00 C ATOM 571 O GLY A 64 16.509 2.440 1.267 1.00 0.00 O ATOM 0 H GLY A 64 16.492 -1.603 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.752 0.209 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.329 0.565 0.507 1.00 0.00 H new ATOM 575 N ILE A 65 15.203 0.837 0.347 1.00 0.00 N ATOM 576 CA ILE A 65 14.051 1.716 0.127 1.00 0.00 C ATOM 577 C ILE A 65 13.641 2.424 1.420 1.00 0.00 C ATOM 578 O ILE A 65 13.464 1.781 2.456 1.00 0.00 O ATOM 579 CB ILE A 65 12.835 0.930 -0.416 1.00 0.00 C ATOM 580 CG1 ILE A 65 13.209 0.154 -1.684 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.673 1.875 -0.697 1.00 0.00 C ATOM 582 CD1 ILE A 65 12.128 -0.797 -2.149 1.00 0.00 C ATOM 0 H ILE A 65 15.058 -0.125 0.040 1.00 0.00 H new ATOM 0 HA ILE A 65 14.359 2.456 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 65 12.526 0.213 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.427 0.862 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.123 -0.410 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.825 1.306 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.385 2.381 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.976 2.615 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.460 -1.312 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.926 -1.528 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.219 -0.236 -2.366 1.00 0.00 H new ATOM 594 N PRO A 66 13.487 3.763 1.375 1.00 0.00 N ATOM 595 CA PRO A 66 13.093 4.550 2.549 1.00 0.00 C ATOM 596 C PRO A 66 11.599 4.429 2.849 1.00 0.00 C ATOM 597 O PRO A 66 10.831 3.945 2.016 1.00 0.00 O ATOM 598 CB PRO A 66 13.444 5.980 2.138 1.00 0.00 C ATOM 599 CG PRO A 66 13.307 5.991 0.655 1.00 0.00 C ATOM 600 CD PRO A 66 13.691 4.611 0.184 1.00 0.00 C ATOM 0 HA PRO A 66 13.592 4.217 3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.773 6.702 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.457 6.243 2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.286 6.232 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.954 6.747 0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.069 4.286 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.725 4.578 -0.158 1.00 0.00 H new ATOM 608 N LYS A 67 11.188 4.873 4.034 1.00 0.00 N ATOM 609 CA LYS A 67 9.779 4.814 4.424 1.00 0.00 C ATOM 610 C LYS A 67 9.096 6.159 4.165 1.00 0.00 C ATOM 611 O LYS A 67 8.461 6.730 5.055 1.00 0.00 O ATOM 612 CB LYS A 67 9.647 4.417 5.900 1.00 0.00 C ATOM 613 CG LYS A 67 10.366 3.123 6.251 1.00 0.00 C ATOM 614 CD LYS A 67 10.195 2.767 7.720 1.00 0.00 C ATOM 615 CE LYS A 67 10.958 1.502 8.084 1.00 0.00 C ATOM 616 NZ LYS A 67 12.435 1.697 8.016 1.00 0.00 N ATOM 0 H LYS A 67 11.806 5.276 4.739 1.00 0.00 H new ATOM 0 HA LYS A 67 9.284 4.055 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.042 5.222 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.590 4.314 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.980 2.313 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.427 3.222 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.545 3.594 8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.136 2.630 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.680 1.189 9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.668 0.697 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.914 0.872 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.726 1.803 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.697 2.552 8.547 1.00 0.00 H new ATOM 630 N ASP A 68 9.235 6.660 2.934 1.00 0.00 N ATOM 631 CA ASP A 68 8.643 7.940 2.547 1.00 0.00 C ATOM 632 C ASP A 68 8.159 7.908 1.096 1.00 0.00 C ATOM 633 O ASP A 68 8.953 8.075 0.168 1.00 0.00 O ATOM 634 CB ASP A 68 9.661 9.071 2.727 1.00 0.00 C ATOM 635 CG ASP A 68 10.115 9.226 4.166 1.00 0.00 C ATOM 636 OD1 ASP A 68 11.096 8.560 4.555 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.490 10.016 4.904 1.00 0.00 O ATOM 0 H ASP A 68 9.754 6.196 2.188 1.00 0.00 H new ATOM 0 HA ASP A 68 7.784 8.120 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.528 8.878 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.221 10.008 2.386 1.00 0.00 H new ATOM 642 N PRO A 69 6.846 7.688 0.886 1.00 0.00 N ATOM 643 CA PRO A 69 6.249 7.646 -0.457 1.00 0.00 C ATOM 644 C PRO A 69 6.471 8.943 -1.231 1.00 0.00 C ATOM 645 O PRO A 69 6.712 8.914 -2.436 1.00 0.00 O ATOM 646 CB PRO A 69 4.756 7.430 -0.189 1.00 0.00 C ATOM 647 CG PRO A 69 4.692 6.856 1.183 1.00 0.00 C ATOM 648 CD PRO A 69 5.843 7.457 1.938 1.00 0.00 C ATOM 0 HA PRO A 69 6.697 6.866 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.204 8.368 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.317 6.753 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.743 7.096 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.769 5.769 1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.559 8.384 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.215 6.783 2.709 1.00 0.00 H new ATOM 656 N ARG A 70 6.383 10.081 -0.538 1.00 0.00 N ATOM 657 CA ARG A 70 6.602 11.379 -1.175 1.00 0.00 C ATOM 658 C ARG A 70 8.061 11.506 -1.618 1.00 0.00 C ATOM 659 O ARG A 70 8.352 12.097 -2.660 1.00 0.00 O ATOM 660 CB ARG A 70 6.238 12.518 -0.218 1.00 0.00 C ATOM 661 CG ARG A 70 4.795 12.477 0.265 1.00 0.00 C ATOM 662 CD ARG A 70 4.706 12.657 1.773 1.00 0.00 C ATOM 663 NE ARG A 70 3.322 12.748 2.239 1.00 0.00 N ATOM 664 CZ ARG A 70 2.971 12.835 3.524 1.00 0.00 C ATOM 665 NH1 ARG A 70 3.898 12.835 4.481 1.00 0.00 N ATOM 666 NH2 ARG A 70 1.686 12.915 3.856 1.00 0.00 N ATOM 0 H ARG A 70 6.163 10.129 0.457 1.00 0.00 H new ATOM 0 HA ARG A 70 5.958 11.448 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.902 12.480 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.418 13.470 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.222 13.261 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.343 11.526 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.199 11.820 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.245 13.560 2.062 1.00 0.00 H new ATOM 0 HE ARG A 70 2.580 12.745 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.886 12.768 4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.620 12.902 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.970 12.910 3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.416 12.982 4.837 1.00 0.00 H new ATOM 680 N GLN A 71 8.969 10.940 -0.819 1.00 0.00 N ATOM 681 CA GLN A 71 10.399 10.961 -1.125 1.00 0.00 C ATOM 682 C GLN A 71 10.835 9.645 -1.780 1.00 0.00 C ATOM 683 O GLN A 71 11.880 9.083 -1.443 1.00 0.00 O ATOM 684 CB GLN A 71 11.208 11.214 0.151 1.00 0.00 C ATOM 685 CG GLN A 71 10.898 12.546 0.813 1.00 0.00 C ATOM 686 CD GLN A 71 11.523 12.674 2.189 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.650 13.150 2.330 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.795 12.246 3.215 1.00 0.00 N ATOM 0 H GLN A 71 8.736 10.459 0.050 1.00 0.00 H new ATOM 0 HA GLN A 71 10.588 11.771 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.012 10.410 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.271 11.175 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.258 13.355 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.818 12.663 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.865 11.858 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.166 12.305 4.163 1.00 0.00 H new ATOM 697 N TRP A 72 10.020 9.163 -2.723 1.00 0.00 N ATOM 698 CA TRP A 72 10.305 7.926 -3.447 1.00 0.00 C ATOM 699 C TRP A 72 10.539 8.221 -4.926 1.00 0.00 C ATOM 700 O TRP A 72 10.384 9.362 -5.367 1.00 0.00 O ATOM 701 CB TRP A 72 9.131 6.956 -3.315 1.00 0.00 C ATOM 702 CG TRP A 72 9.295 5.926 -2.242 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.287 5.852 -1.307 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.429 4.816 -2.000 1.00 0.00 C ATOM 705 NE1 TRP A 72 10.088 4.761 -0.498 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.954 4.108 -0.904 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.260 4.352 -2.607 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.346 2.961 -0.402 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.658 3.215 -2.108 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.202 2.530 -1.015 1.00 0.00 C ATOM 0 H TRP A 72 9.151 9.617 -3.003 1.00 0.00 H new ATOM 0 HA TRP A 72 11.201 7.478 -3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.224 7.528 -3.117 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.986 6.449 -4.269 1.00 0.00 H new ATOM 0 HD1 TRP A 72 11.107 6.549 -1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.687 4.482 0.279 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.835 4.874 -3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.763 2.430 0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.753 2.848 -2.568 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.708 1.643 -0.648 1.00 0.00 H new ATOM 721 N THR A 73 10.917 7.195 -5.690 1.00 0.00 N ATOM 722 CA THR A 73 11.128 7.356 -7.125 1.00 0.00 C ATOM 723 C THR A 73 10.446 6.218 -7.894 1.00 0.00 C ATOM 724 O THR A 73 9.823 5.345 -7.287 1.00 0.00 O ATOM 725 CB THR A 73 12.631 7.424 -7.478 1.00 0.00 C ATOM 726 OG1 THR A 73 12.803 7.746 -8.864 1.00 0.00 O ATOM 727 CG2 THR A 73 13.326 6.104 -7.170 1.00 0.00 C ATOM 0 H THR A 73 11.082 6.251 -5.340 1.00 0.00 H new ATOM 0 HA THR A 73 10.679 8.304 -7.422 1.00 0.00 H new ATOM 0 HB THR A 73 13.083 8.205 -6.867 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.026 6.933 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.382 6.180 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.227 5.880 -6.108 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.867 5.306 -7.753 1.00 0.00 H new ATOM 735 N GLU A 74 10.567 6.226 -9.223 1.00 0.00 N ATOM 736 CA GLU A 74 9.942 5.201 -10.065 1.00 0.00 C ATOM 737 C GLU A 74 10.261 3.786 -9.578 1.00 0.00 C ATOM 738 O GLU A 74 9.373 2.934 -9.513 1.00 0.00 O ATOM 739 CB GLU A 74 10.385 5.360 -11.522 1.00 0.00 C ATOM 740 CG GLU A 74 10.012 6.704 -12.127 1.00 0.00 C ATOM 741 CD GLU A 74 10.296 6.777 -13.616 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.443 7.099 -13.987 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.369 6.511 -14.410 1.00 0.00 O ATOM 0 H GLU A 74 11.092 6.931 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 74 8.864 5.343 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.466 5.232 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.937 4.565 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.953 6.894 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.565 7.493 -11.617 1.00 0.00 H new ATOM 750 N THR A 75 11.526 3.540 -9.236 1.00 0.00 N ATOM 751 CA THR A 75 11.949 2.222 -8.764 1.00 0.00 C ATOM 752 C THR A 75 11.257 1.850 -7.451 1.00 0.00 C ATOM 753 O THR A 75 10.716 0.753 -7.319 1.00 0.00 O ATOM 754 CB THR A 75 13.478 2.152 -8.569 1.00 0.00 C ATOM 755 OG1 THR A 75 14.149 2.618 -9.748 1.00 0.00 O ATOM 756 CG2 THR A 75 13.921 0.727 -8.261 1.00 0.00 C ATOM 0 H THR A 75 12.273 4.233 -9.277 1.00 0.00 H new ATOM 0 HA THR A 75 11.658 1.508 -9.535 1.00 0.00 H new ATOM 0 HB THR A 75 13.741 2.791 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.118 2.571 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.003 0.703 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.435 0.384 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.643 0.073 -9.087 1.00 0.00 H new ATOM 764 N HIS A 76 11.280 2.772 -6.483 1.00 0.00 N ATOM 765 CA HIS A 76 10.653 2.539 -5.179 1.00 0.00 C ATOM 766 C HIS A 76 9.145 2.331 -5.319 1.00 0.00 C ATOM 767 O HIS A 76 8.570 1.459 -4.666 1.00 0.00 O ATOM 768 CB HIS A 76 10.927 3.707 -4.227 1.00 0.00 C ATOM 769 CG HIS A 76 12.376 3.889 -3.891 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.922 5.108 -3.549 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.393 2.996 -3.836 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.210 4.957 -3.300 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.520 3.685 -3.466 1.00 0.00 N ATOM 0 H HIS A 76 11.725 3.685 -6.578 1.00 0.00 H new ATOM 0 HA HIS A 76 11.092 1.632 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.550 4.626 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.367 3.551 -3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.329 1.938 -4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.894 5.741 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.447 3.280 -3.340 1.00 0.00 H new ATOM 782 N VAL A 77 8.514 3.140 -6.169 1.00 0.00 N ATOM 783 CA VAL A 77 7.076 3.052 -6.410 1.00 0.00 C ATOM 784 C VAL A 77 6.687 1.681 -6.961 1.00 0.00 C ATOM 785 O VAL A 77 5.766 1.038 -6.455 1.00 0.00 O ATOM 786 CB VAL A 77 6.612 4.144 -7.400 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.176 3.899 -7.852 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.743 5.519 -6.762 1.00 0.00 C ATOM 0 H VAL A 77 8.982 3.870 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 77 6.583 3.202 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 77 7.252 4.102 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.875 4.682 -8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.110 2.930 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.515 3.910 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.413 6.281 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.125 5.564 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.784 5.698 -6.495 1.00 0.00 H new ATOM 798 N ARG A 78 7.404 1.245 -8.000 1.00 0.00 N ATOM 799 CA ARG A 78 7.140 -0.040 -8.642 1.00 0.00 C ATOM 800 C ARG A 78 7.561 -1.208 -7.752 1.00 0.00 C ATOM 801 O ARG A 78 6.847 -2.208 -7.668 1.00 0.00 O ATOM 802 CB ARG A 78 7.857 -0.126 -9.990 1.00 0.00 C ATOM 803 CG ARG A 78 7.489 -1.362 -10.794 1.00 0.00 C ATOM 804 CD ARG A 78 8.387 -1.526 -12.007 1.00 0.00 C ATOM 805 NE ARG A 78 8.037 -2.712 -12.790 1.00 0.00 N ATOM 806 CZ ARG A 78 8.697 -3.109 -13.881 1.00 0.00 C ATOM 807 NH1 ARG A 78 9.741 -2.416 -14.329 1.00 0.00 N ATOM 808 NH2 ARG A 78 8.309 -4.203 -14.528 1.00 0.00 N ATOM 0 H ARG A 78 8.175 1.768 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 78 6.065 -0.109 -8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.621 0.762 -10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.934 -0.119 -9.821 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.567 -2.246 -10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.450 -1.291 -11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.311 -0.640 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.425 -1.599 -11.683 1.00 0.00 H new ATOM 0 HE ARG A 78 7.240 -3.270 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.043 -1.574 -13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.239 -2.727 -15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.508 -4.738 -14.191 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.812 -4.508 -15.361 1.00 0.00 H new ATOM 822 N ASP A 79 8.717 -1.094 -7.100 1.00 0.00 N ATOM 823 CA ASP A 79 9.189 -2.163 -6.226 1.00 0.00 C ATOM 824 C ASP A 79 8.211 -2.379 -5.067 1.00 0.00 C ATOM 825 O ASP A 79 8.005 -3.511 -4.625 1.00 0.00 O ATOM 826 CB ASP A 79 10.591 -1.859 -5.691 1.00 0.00 C ATOM 827 CG ASP A 79 11.168 -3.015 -4.893 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.823 -3.142 -3.699 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.959 -3.793 -5.463 1.00 0.00 O ATOM 0 H ASP A 79 9.335 -0.285 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 79 9.243 -3.079 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.254 -1.630 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.552 -0.970 -5.062 1.00 0.00 H new ATOM 834 N TRP A 80 7.613 -1.285 -4.584 1.00 0.00 N ATOM 835 CA TRP A 80 6.652 -1.370 -3.488 1.00 0.00 C ATOM 836 C TRP A 80 5.375 -2.057 -3.971 1.00 0.00 C ATOM 837 O TRP A 80 5.030 -3.135 -3.488 1.00 0.00 O ATOM 838 CB TRP A 80 6.348 0.018 -2.909 1.00 0.00 C ATOM 839 CG TRP A 80 5.059 0.079 -2.145 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.812 -0.438 -0.906 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.836 0.683 -2.580 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.510 -0.193 -0.545 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.890 0.495 -1.555 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.449 1.367 -3.736 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.583 0.963 -1.653 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.152 1.832 -3.832 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.233 1.628 -2.796 1.00 0.00 C ATOM 0 H TRP A 80 7.777 -0.341 -4.933 1.00 0.00 H new ATOM 0 HA TRP A 80 7.088 -1.967 -2.687 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.165 0.315 -2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.313 0.743 -3.723 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.535 -0.963 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.075 -0.477 0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.152 1.529 -4.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.871 0.807 -0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.842 2.362 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.226 2.004 -2.901 1.00 0.00 H new ATOM 858 N VAL A 81 4.660 -1.407 -4.901 1.00 0.00 N ATOM 859 CA VAL A 81 3.438 -1.975 -5.477 1.00 0.00 C ATOM 860 C VAL A 81 3.612 -3.465 -5.784 1.00 0.00 C ATOM 861 O VAL A 81 2.756 -4.279 -5.440 1.00 0.00 O ATOM 862 CB VAL A 81 3.009 -1.223 -6.762 1.00 0.00 C ATOM 863 CG1 VAL A 81 4.117 -1.221 -7.802 1.00 0.00 C ATOM 864 CG2 VAL A 81 1.737 -1.825 -7.340 1.00 0.00 C ATOM 0 H VAL A 81 4.909 -0.489 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 81 2.652 -1.858 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 81 2.809 -0.188 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.782 -0.685 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.999 -0.729 -7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.366 -2.248 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.454 -1.281 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.910 -2.872 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.934 -1.753 -6.606 1.00 0.00 H new ATOM 874 N MET A 82 4.735 -3.810 -6.424 1.00 0.00 N ATOM 875 CA MET A 82 5.042 -5.199 -6.767 1.00 0.00 C ATOM 876 C MET A 82 5.135 -6.051 -5.504 1.00 0.00 C ATOM 877 O MET A 82 4.552 -7.135 -5.429 1.00 0.00 O ATOM 878 CB MET A 82 6.360 -5.269 -7.542 1.00 0.00 C ATOM 879 CG MET A 82 6.632 -6.626 -8.171 1.00 0.00 C ATOM 880 SD MET A 82 8.083 -6.611 -9.242 1.00 0.00 S ATOM 881 CE MET A 82 7.592 -5.397 -10.465 1.00 0.00 C ATOM 0 H MET A 82 5.448 -3.141 -6.715 1.00 0.00 H new ATOM 0 HA MET A 82 4.239 -5.588 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.350 -4.511 -8.326 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.180 -5.020 -6.868 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.773 -7.366 -7.384 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.761 -6.937 -8.748 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.751 -5.803 -11.464 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.537 -5.155 -10.335 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.189 -4.494 -10.341 1.00 0.00 H new ATOM 891 N TRP A 83 5.878 -5.547 -4.516 1.00 0.00 N ATOM 892 CA TRP A 83 6.047 -6.234 -3.238 1.00 0.00 C ATOM 893 C TRP A 83 4.690 -6.524 -2.591 1.00 0.00 C ATOM 894 O TRP A 83 4.499 -7.582 -1.993 1.00 0.00 O ATOM 895 CB TRP A 83 6.927 -5.388 -2.306 1.00 0.00 C ATOM 896 CG TRP A 83 6.844 -5.781 -0.863 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.664 -6.647 -0.198 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.887 -5.318 0.096 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.277 -6.749 1.114 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.186 -5.943 1.320 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.806 -4.433 0.038 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.442 -5.713 2.473 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.069 -4.205 1.184 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.390 -4.843 2.388 1.00 0.00 C ATOM 0 H TRP A 83 6.375 -4.658 -4.580 1.00 0.00 H new ATOM 0 HA TRP A 83 6.540 -7.190 -3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.964 -5.465 -2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.639 -4.341 -2.403 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.496 -7.175 -0.641 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.727 -7.330 1.821 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.552 -3.936 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.687 -6.204 3.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.232 -3.524 1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.795 -4.644 3.267 1.00 0.00 H new ATOM 915 N ALA A 84 3.751 -5.582 -2.724 1.00 0.00 N ATOM 916 CA ALA A 84 2.414 -5.751 -2.162 1.00 0.00 C ATOM 917 C ALA A 84 1.682 -6.865 -2.903 1.00 0.00 C ATOM 918 O ALA A 84 1.119 -7.768 -2.288 1.00 0.00 O ATOM 919 CB ALA A 84 1.629 -4.448 -2.232 1.00 0.00 C ATOM 0 H ALA A 84 3.894 -4.699 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 84 2.505 -6.027 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.636 -4.598 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.153 -3.677 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.536 -4.135 -3.272 1.00 0.00 H new ATOM 925 N VAL A 85 1.694 -6.778 -4.236 1.00 0.00 N ATOM 926 CA VAL A 85 1.067 -7.786 -5.092 1.00 0.00 C ATOM 927 C VAL A 85 1.502 -9.201 -4.694 1.00 0.00 C ATOM 928 O VAL A 85 0.724 -10.148 -4.801 1.00 0.00 O ATOM 929 CB VAL A 85 1.417 -7.552 -6.579 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.860 -8.669 -7.452 1.00 0.00 C ATOM 931 CG2 VAL A 85 0.894 -6.203 -7.045 1.00 0.00 C ATOM 0 H VAL A 85 2.135 -6.014 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.010 -7.691 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 85 2.503 -7.555 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.120 -8.481 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.285 -9.622 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.225 -8.704 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.150 -6.056 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.189 -6.173 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.346 -5.411 -6.447 1.00 0.00 H new ATOM 941 N ASN A 86 2.752 -9.335 -4.241 1.00 0.00 N ATOM 942 CA ASN A 86 3.291 -10.630 -3.824 1.00 0.00 C ATOM 943 C ASN A 86 2.819 -11.000 -2.416 1.00 0.00 C ATOM 944 O ASN A 86 2.459 -12.150 -2.159 1.00 0.00 O ATOM 945 CB ASN A 86 4.824 -10.606 -3.869 1.00 0.00 C ATOM 946 CG ASN A 86 5.366 -10.221 -5.236 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.770 -10.534 -6.266 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.504 -9.532 -5.251 1.00 0.00 N ATOM 0 H ASN A 86 3.410 -8.560 -4.154 1.00 0.00 H new ATOM 0 HA ASN A 86 2.921 -11.385 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.194 -9.901 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.207 -11.589 -3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.914 -9.243 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.967 -9.292 -4.374 1.00 0.00 H new ATOM 955 N GLU A 87 2.822 -10.018 -1.511 1.00 0.00 N ATOM 956 CA GLU A 87 2.398 -10.234 -0.124 1.00 0.00 C ATOM 957 C GLU A 87 0.896 -10.514 -0.032 1.00 0.00 C ATOM 958 O GLU A 87 0.459 -11.318 0.794 1.00 0.00 O ATOM 959 CB GLU A 87 2.742 -9.012 0.735 1.00 0.00 C ATOM 960 CG GLU A 87 4.231 -8.701 0.802 1.00 0.00 C ATOM 961 CD GLU A 87 4.982 -9.608 1.757 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.307 -10.748 1.362 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.247 -9.178 2.899 1.00 0.00 O ATOM 0 H GLU A 87 3.114 -9.062 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 87 2.934 -11.107 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.217 -8.143 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.370 -9.175 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.662 -8.795 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.367 -7.665 1.111 1.00 0.00 H new ATOM 970 N PHE A 88 0.111 -9.848 -0.883 1.00 0.00 N ATOM 971 CA PHE A 88 -1.343 -10.018 -0.890 1.00 0.00 C ATOM 972 C PHE A 88 -1.824 -10.848 -2.087 1.00 0.00 C ATOM 973 O PHE A 88 -3.030 -10.991 -2.293 1.00 0.00 O ATOM 974 CB PHE A 88 -2.032 -8.648 -0.914 1.00 0.00 C ATOM 975 CG PHE A 88 -1.698 -7.773 0.261 1.00 0.00 C ATOM 976 CD1 PHE A 88 -2.381 -7.908 1.459 1.00 0.00 C ATOM 977 CD2 PHE A 88 -0.705 -6.811 0.164 1.00 0.00 C ATOM 978 CE1 PHE A 88 -2.079 -7.100 2.538 1.00 0.00 C ATOM 979 CE2 PHE A 88 -0.398 -6.002 1.240 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.087 -6.146 2.428 1.00 0.00 C ATOM 0 H PHE A 88 0.459 -9.186 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.608 -10.557 0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.753 -8.129 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.111 -8.797 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.158 -8.653 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.165 -6.693 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.618 -7.214 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.380 -5.258 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.850 -5.513 3.270 1.00 0.00 H new ATOM 990 N SER A 89 -0.881 -11.407 -2.862 1.00 0.00 N ATOM 991 CA SER A 89 -1.220 -12.206 -4.045 1.00 0.00 C ATOM 992 C SER A 89 -2.316 -11.525 -4.870 1.00 0.00 C ATOM 993 O SER A 89 -3.343 -12.132 -5.183 1.00 0.00 O ATOM 994 CB SER A 89 -1.660 -13.614 -3.629 1.00 0.00 C ATOM 995 OG SER A 89 -0.625 -14.290 -2.935 1.00 0.00 O ATOM 0 H SER A 89 0.120 -11.319 -2.689 1.00 0.00 H new ATOM 0 HA SER A 89 -0.329 -12.287 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.544 -13.549 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.943 -14.186 -4.513 1.00 0.00 H new ATOM 0 HG SER A 89 -0.933 -15.185 -2.680 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.085 -10.259 -5.224 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.058 -9.486 -5.993 1.00 0.00 C ATOM 1003 C LEU A 90 -2.987 -9.819 -7.482 1.00 0.00 C ATOM 1004 O LEU A 90 -2.037 -10.455 -7.944 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.834 -7.985 -5.775 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.856 -7.531 -4.312 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.656 -6.025 -4.216 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.161 -7.942 -3.644 1.00 0.00 C ATOM 0 H LEU A 90 -1.233 -9.749 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.053 -9.755 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.873 -7.710 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.601 -7.436 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.034 -8.020 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.675 -5.721 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.695 -5.757 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.455 -5.517 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.158 -7.611 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.999 -7.483 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.262 -9.027 -3.679 1.00 0.00 H new ATOM 1020 N LYS A 91 -4.001 -9.380 -8.228 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.068 -9.631 -9.666 1.00 0.00 C ATOM 1022 C LYS A 91 -4.743 -8.475 -10.410 1.00 0.00 C ATOM 1023 O LYS A 91 -5.491 -7.691 -9.820 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.808 -10.947 -9.951 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.958 -11.245 -8.994 1.00 0.00 C ATOM 1026 CD LYS A 91 -7.063 -10.205 -9.091 1.00 0.00 C ATOM 1027 CE LYS A 91 -8.236 -10.554 -8.189 1.00 0.00 C ATOM 1028 NZ LYS A 91 -9.286 -9.498 -8.206 1.00 0.00 N ATOM 0 H LYS A 91 -4.789 -8.848 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.044 -9.713 -10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.197 -10.917 -10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.093 -11.768 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.367 -12.231 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.580 -11.278 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.669 -9.227 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.405 -10.131 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.670 -11.502 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.879 -10.694 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.067 -9.775 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.880 -8.599 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.645 -9.381 -9.175 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.458 -8.372 -11.711 1.00 0.00 N ATOM 1043 CA GLY A 92 -5.039 -7.316 -12.530 1.00 0.00 C ATOM 1044 C GLY A 92 -4.308 -5.983 -12.419 1.00 0.00 C ATOM 1045 O GLY A 92 -4.632 -5.039 -13.142 1.00 0.00 O ATOM 0 H GLY A 92 -3.833 -9.003 -12.212 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.039 -7.635 -13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.080 -7.175 -12.240 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.321 -5.899 -11.520 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.559 -4.667 -11.327 1.00 0.00 C ATOM 1051 C VAL A 93 -1.454 -4.528 -12.371 1.00 0.00 C ATOM 1052 O VAL A 93 -0.827 -5.514 -12.764 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.939 -4.607 -9.912 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.905 -5.707 -9.725 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.329 -3.238 -9.646 1.00 0.00 C ATOM 0 H VAL A 93 -3.034 -6.670 -10.917 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.259 -3.840 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.737 -4.768 -9.187 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.483 -5.643 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.380 -6.679 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.110 -5.588 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.899 -3.220 -8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.548 -3.039 -10.380 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.103 -2.474 -9.723 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.227 -3.294 -12.818 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.205 -3.013 -13.819 1.00 0.00 C ATOM 1067 C ASP A 94 0.888 -2.111 -13.253 1.00 0.00 C ATOM 1068 O ASP A 94 0.612 -1.191 -12.479 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.845 -2.353 -15.042 1.00 0.00 C ATOM 1070 CG ASP A 94 -1.861 -3.253 -15.721 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.048 -3.205 -15.334 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -1.470 -4.006 -16.638 1.00 0.00 O ATOM 0 H ASP A 94 -1.740 -2.472 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 94 0.254 -3.957 -14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.331 -1.426 -14.738 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.066 -2.086 -15.756 1.00 0.00 H new ATOM 1077 N PHE A 95 2.133 -2.383 -13.649 1.00 0.00 N ATOM 1078 CA PHE A 95 3.280 -1.599 -13.190 1.00 0.00 C ATOM 1079 C PHE A 95 3.554 -0.425 -14.135 1.00 0.00 C ATOM 1080 O PHE A 95 4.160 0.570 -13.731 1.00 0.00 O ATOM 1081 CB PHE A 95 4.521 -2.486 -13.054 1.00 0.00 C ATOM 1082 CG PHE A 95 4.332 -3.632 -12.098 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.166 -3.400 -10.742 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.311 -4.939 -12.559 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.986 -4.450 -9.862 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.130 -5.994 -11.683 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.967 -5.748 -10.334 1.00 0.00 C ATOM 0 H PHE A 95 2.372 -3.142 -14.288 1.00 0.00 H new ATOM 0 HA PHE A 95 3.040 -1.192 -12.208 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.786 -2.880 -14.035 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.360 -1.876 -12.718 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.177 -2.387 -10.369 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.437 -5.136 -13.613 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.860 -4.256 -8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.116 -7.008 -12.053 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.825 -6.570 -9.648 1.00 0.00 H new ATOM 1097 N GLN A 96 3.110 -0.546 -15.392 1.00 0.00 N ATOM 1098 CA GLN A 96 3.274 0.524 -16.374 1.00 0.00 C ATOM 1099 C GLN A 96 2.553 1.785 -15.893 1.00 0.00 C ATOM 1100 O GLN A 96 3.023 2.906 -16.107 1.00 0.00 O ATOM 1101 CB GLN A 96 2.718 0.083 -17.731 1.00 0.00 C ATOM 1102 CG GLN A 96 2.934 1.100 -18.841 1.00 0.00 C ATOM 1103 CD GLN A 96 2.308 0.688 -20.166 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.845 1.535 -20.930 1.00 0.00 O ATOM 1105 NE2 GLN A 96 2.298 -0.613 -20.457 1.00 0.00 N ATOM 0 H GLN A 96 2.635 -1.375 -15.749 1.00 0.00 H new ATOM 0 HA GLN A 96 4.336 0.744 -16.486 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.187 -0.859 -18.017 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.650 -0.110 -17.630 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.516 2.058 -18.532 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.004 1.250 -18.984 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.691 -1.286 -19.799 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.897 -0.936 -21.338 1.00 0.00 H new ATOM 1114 N LYS A 97 1.407 1.582 -15.239 1.00 0.00 N ATOM 1115 CA LYS A 97 0.604 2.673 -14.690 1.00 0.00 C ATOM 1116 C LYS A 97 1.329 3.371 -13.540 1.00 0.00 C ATOM 1117 O LYS A 97 1.211 4.586 -13.372 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.741 2.132 -14.194 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.768 1.934 -15.299 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.284 0.943 -16.345 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.358 0.652 -17.381 1.00 0.00 C ATOM 1122 NZ LYS A 97 -1.895 -0.326 -18.404 1.00 0.00 N ATOM 0 H LYS A 97 1.011 0.656 -15.076 1.00 0.00 H new ATOM 0 HA LYS A 97 0.439 3.401 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.575 1.180 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.147 2.819 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.704 1.579 -14.867 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.980 2.891 -15.775 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.398 1.340 -16.840 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.987 0.014 -15.857 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.246 0.263 -16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.649 1.580 -17.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.657 -0.497 -19.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.063 0.056 -18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.642 -1.221 -17.939 1.00 0.00 H new ATOM 1136 N PHE A 98 2.082 2.598 -12.751 1.00 0.00 N ATOM 1137 CA PHE A 98 2.823 3.150 -11.617 1.00 0.00 C ATOM 1138 C PHE A 98 4.279 3.450 -11.988 1.00 0.00 C ATOM 1139 O PHE A 98 5.175 3.348 -11.146 1.00 0.00 O ATOM 1140 CB PHE A 98 2.772 2.184 -10.427 1.00 0.00 C ATOM 1141 CG PHE A 98 1.379 1.910 -9.931 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.564 2.949 -9.510 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.885 0.616 -9.889 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.717 2.702 -9.055 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.395 0.364 -9.435 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.196 1.409 -9.018 1.00 0.00 C ATOM 0 H PHE A 98 2.193 1.592 -12.878 1.00 0.00 H new ATOM 0 HA PHE A 98 2.347 4.090 -11.337 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.238 1.242 -10.715 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.365 2.596 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.934 3.963 -9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.507 -0.204 -10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.342 3.520 -8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.769 -0.649 -9.406 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.197 1.214 -8.663 1.00 0.00 H new ATOM 1156 N CYS A 99 4.510 3.825 -13.249 1.00 0.00 N ATOM 1157 CA CYS A 99 5.854 4.149 -13.718 1.00 0.00 C ATOM 1158 C CYS A 99 6.140 5.636 -13.513 1.00 0.00 C ATOM 1159 O CYS A 99 6.263 6.401 -14.475 1.00 0.00 O ATOM 1160 CB CYS A 99 6.008 3.770 -15.195 1.00 0.00 C ATOM 1161 SG CYS A 99 7.696 3.919 -15.827 1.00 0.00 S ATOM 0 H CYS A 99 3.784 3.911 -13.960 1.00 0.00 H new ATOM 0 HA CYS A 99 6.576 3.574 -13.138 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.670 2.743 -15.332 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.352 4.404 -15.791 1.00 0.00 H new ATOM 0 HG CYS A 99 8.287 4.925 -15.253 1.00 0.00 H new ATOM 1167 N MET A 100 6.238 6.040 -12.246 1.00 0.00 N ATOM 1168 CA MET A 100 6.499 7.435 -11.898 1.00 0.00 C ATOM 1169 C MET A 100 7.123 7.546 -10.507 1.00 0.00 C ATOM 1170 O MET A 100 7.111 6.590 -9.731 1.00 0.00 O ATOM 1171 CB MET A 100 5.200 8.244 -11.952 1.00 0.00 C ATOM 1172 CG MET A 100 4.249 7.951 -10.800 1.00 0.00 C ATOM 1173 SD MET A 100 2.586 8.580 -11.092 1.00 0.00 S ATOM 1174 CE MET A 100 2.009 7.438 -12.347 1.00 0.00 C ATOM 0 H MET A 100 6.140 5.419 -11.443 1.00 0.00 H new ATOM 0 HA MET A 100 7.205 7.838 -12.624 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.444 9.306 -11.949 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.691 8.036 -12.893 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.202 6.874 -10.638 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.645 8.394 -9.886 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.928 7.532 -12.455 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.490 7.668 -13.297 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.257 6.418 -12.053 1.00 0.00 H new ATOM 1184 N SER A 101 7.654 8.728 -10.200 1.00 0.00 N ATOM 1185 CA SER A 101 8.285 8.977 -8.907 1.00 0.00 C ATOM 1186 C SER A 101 7.248 9.005 -7.784 1.00 0.00 C ATOM 1187 O SER A 101 6.061 9.241 -8.026 1.00 0.00 O ATOM 1188 CB SER A 101 9.061 10.297 -8.942 1.00 0.00 C ATOM 1189 OG SER A 101 9.769 10.511 -7.734 1.00 0.00 O ATOM 0 H SER A 101 7.659 9.529 -10.831 1.00 0.00 H new ATOM 0 HA SER A 101 8.979 8.161 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.760 10.288 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.370 11.123 -9.112 1.00 0.00 H new ATOM 0 HG SER A 101 10.256 11.360 -7.786 1.00 0.00 H new ATOM 1195 N GLY A 102 7.707 8.761 -6.558 1.00 0.00 N ATOM 1196 CA GLY A 102 6.822 8.756 -5.404 1.00 0.00 C ATOM 1197 C GLY A 102 6.039 10.048 -5.263 1.00 0.00 C ATOM 1198 O GLY A 102 4.824 10.022 -5.056 1.00 0.00 O ATOM 0 H GLY A 102 8.685 8.565 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.126 7.921 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.410 8.591 -4.501 1.00 0.00 H new ATOM 1202 N ALA A 103 6.739 11.181 -5.375 1.00 0.00 N ATOM 1203 CA ALA A 103 6.107 12.497 -5.277 1.00 0.00 C ATOM 1204 C ALA A 103 4.930 12.618 -6.245 1.00 0.00 C ATOM 1205 O ALA A 103 3.911 13.231 -5.922 1.00 0.00 O ATOM 1206 CB ALA A 103 7.129 13.592 -5.548 1.00 0.00 C ATOM 0 H ALA A 103 7.746 11.211 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 103 5.722 12.613 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.647 14.567 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.934 13.528 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.539 13.467 -6.550 1.00 0.00 H new ATOM 1212 N ALA A 104 5.078 12.025 -7.435 1.00 0.00 N ATOM 1213 CA ALA A 104 4.027 12.053 -8.449 1.00 0.00 C ATOM 1214 C ALA A 104 2.836 11.199 -8.019 1.00 0.00 C ATOM 1215 O ALA A 104 1.688 11.641 -8.088 1.00 0.00 O ATOM 1216 CB ALA A 104 4.567 11.565 -9.784 1.00 0.00 C ATOM 0 H ALA A 104 5.918 11.520 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 104 3.689 13.083 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.772 11.592 -10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.386 12.210 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.931 10.543 -9.678 1.00 0.00 H new ATOM 1222 N LEU A 105 3.126 9.974 -7.572 1.00 0.00 N ATOM 1223 CA LEU A 105 2.096 9.040 -7.120 1.00 0.00 C ATOM 1224 C LEU A 105 1.262 9.643 -5.988 1.00 0.00 C ATOM 1225 O LEU A 105 0.032 9.565 -6.007 1.00 0.00 O ATOM 1226 CB LEU A 105 2.741 7.732 -6.655 1.00 0.00 C ATOM 1227 CG LEU A 105 1.777 6.562 -6.463 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.247 6.080 -7.804 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.462 5.429 -5.714 1.00 0.00 C ATOM 0 H LEU A 105 4.075 9.605 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 105 1.432 8.836 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.499 7.441 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.257 7.915 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 105 0.931 6.904 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.562 5.247 -7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.719 6.894 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.079 5.753 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.763 4.603 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.326 5.087 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.788 5.784 -4.737 1.00 0.00 H new ATOM 1241 N CYS A 106 1.936 10.243 -5.004 1.00 0.00 N ATOM 1242 CA CYS A 106 1.251 10.868 -3.870 1.00 0.00 C ATOM 1243 C CYS A 106 0.393 12.047 -4.336 1.00 0.00 C ATOM 1244 O CYS A 106 -0.714 12.255 -3.837 1.00 0.00 O ATOM 1245 CB CYS A 106 2.266 11.335 -2.823 1.00 0.00 C ATOM 1246 SG CYS A 106 3.257 10.003 -2.106 1.00 0.00 S ATOM 0 H CYS A 106 2.953 10.309 -4.969 1.00 0.00 H new ATOM 0 HA CYS A 106 0.597 10.123 -3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.934 12.064 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.735 11.849 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 106 4.164 9.630 -2.959 1.00 0.00 H new ATOM 1252 N ALA A 107 0.918 12.811 -5.299 1.00 0.00 N ATOM 1253 CA ALA A 107 0.206 13.965 -5.850 1.00 0.00 C ATOM 1254 C ALA A 107 -1.060 13.535 -6.597 1.00 0.00 C ATOM 1255 O ALA A 107 -2.061 14.253 -6.597 1.00 0.00 O ATOM 1256 CB ALA A 107 1.120 14.755 -6.776 1.00 0.00 C ATOM 0 H ALA A 107 1.836 12.649 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.095 14.601 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.578 15.611 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.988 15.105 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.449 14.115 -7.595 1.00 0.00 H new ATOM 1262 N LEU A 108 -1.003 12.361 -7.233 1.00 0.00 N ATOM 1263 CA LEU A 108 -2.137 11.824 -7.987 1.00 0.00 C ATOM 1264 C LEU A 108 -3.380 11.651 -7.111 1.00 0.00 C ATOM 1265 O LEU A 108 -4.504 11.868 -7.569 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.767 10.475 -8.616 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.837 10.550 -9.829 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.526 9.154 -10.345 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.455 11.400 -10.930 1.00 0.00 C ATOM 0 H LEU A 108 -0.177 11.762 -7.240 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.372 12.546 -8.769 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.294 9.856 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.685 9.968 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 108 0.095 11.021 -9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.136 9.224 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.039 8.576 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.452 8.660 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.777 11.440 -11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.403 10.960 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.628 12.409 -10.557 1.00 0.00 H new ATOM 1281 N GLY A 109 -3.172 11.268 -5.849 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.286 11.057 -4.938 1.00 0.00 C ATOM 1283 C GLY A 109 -4.963 9.714 -5.150 1.00 0.00 C ATOM 1284 O GLY A 109 -4.597 8.964 -6.055 1.00 0.00 O ATOM 0 H GLY A 109 -2.251 11.101 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.928 11.122 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.017 11.854 -5.072 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.953 9.413 -4.310 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.692 8.152 -4.401 1.00 0.00 C ATOM 1290 C LYS A 110 -7.379 8.001 -5.760 1.00 0.00 C ATOM 1291 O LYS A 110 -7.288 6.949 -6.389 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.731 8.063 -3.279 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.618 6.833 -3.361 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.577 6.767 -2.186 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.724 5.809 -2.456 1.00 0.00 C ATOM 1296 NZ LYS A 110 -10.270 4.390 -2.517 1.00 0.00 N ATOM 0 H LYS A 110 -6.263 10.027 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.974 7.339 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.216 8.064 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.358 8.954 -3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.182 6.850 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.999 5.936 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.039 6.449 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.973 7.762 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.475 5.915 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.204 6.076 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.094 3.767 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.624 4.267 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.775 4.146 -1.636 1.00 0.00 H new ATOM 1310 N GLU A 111 -8.069 9.057 -6.199 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.774 9.050 -7.483 1.00 0.00 C ATOM 1312 C GLU A 111 -7.861 8.587 -8.618 1.00 0.00 C ATOM 1313 O GLU A 111 -8.072 7.514 -9.188 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.317 10.450 -7.791 1.00 0.00 C ATOM 1315 CG GLU A 111 -10.451 10.466 -8.807 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.054 9.885 -10.152 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.283 10.543 -10.881 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.515 8.770 -10.474 1.00 0.00 O ATOM 0 H GLU A 111 -8.154 9.932 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.603 8.346 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.667 10.904 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.502 11.071 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.295 9.902 -8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.791 11.492 -8.947 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.844 9.392 -8.933 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.909 9.065 -10.008 1.00 0.00 C ATOM 1327 C CYS A 112 -5.234 7.713 -9.769 1.00 0.00 C ATOM 1328 O CYS A 112 -5.007 6.953 -10.714 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.851 10.160 -10.147 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.499 11.750 -10.718 1.00 0.00 S ATOM 0 H CYS A 112 -6.648 10.274 -8.459 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.480 9.000 -10.934 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.365 10.304 -9.182 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.084 9.822 -10.844 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.528 12.610 -10.801 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.920 7.414 -8.505 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.279 6.150 -8.154 1.00 0.00 C ATOM 1338 C PHE A 113 -5.184 4.968 -8.505 1.00 0.00 C ATOM 1339 O PHE A 113 -4.716 3.958 -9.036 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.934 6.123 -6.664 1.00 0.00 C ATOM 1341 CG PHE A 113 -3.117 4.929 -6.266 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.735 4.974 -6.321 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.732 3.764 -5.842 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.980 3.877 -5.962 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.983 2.663 -5.481 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.603 2.720 -5.541 1.00 0.00 C ATOM 0 H PHE A 113 -5.100 8.030 -7.712 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.358 6.064 -8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.387 7.031 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.857 6.133 -6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.242 5.878 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.810 3.716 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.098 3.924 -6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.474 1.759 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.013 1.860 -5.259 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.478 5.099 -8.201 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.449 4.049 -8.501 1.00 0.00 C ATOM 1358 C LEU A 114 -7.600 3.868 -10.013 1.00 0.00 C ATOM 1359 O LEU A 114 -8.005 2.804 -10.475 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.805 4.357 -7.855 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.067 3.641 -6.526 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -7.997 3.991 -5.503 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.449 3.994 -5.995 1.00 0.00 C ATOM 0 H LEU A 114 -6.875 5.922 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.078 3.115 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.877 5.432 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.594 4.088 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.028 2.566 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.204 3.471 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.020 3.686 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.999 5.067 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -10.619 3.477 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.514 5.070 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.206 3.688 -6.717 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.291 4.919 -10.779 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.351 4.846 -12.238 1.00 0.00 C ATOM 1377 C GLU A 115 -6.166 4.042 -12.784 1.00 0.00 C ATOM 1378 O GLU A 115 -6.228 3.503 -13.892 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.350 6.251 -12.854 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.469 7.150 -12.352 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.842 6.517 -12.487 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.464 6.669 -13.560 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -10.295 5.870 -11.519 1.00 0.00 O ATOM 0 H GLU A 115 -6.998 5.825 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.279 4.344 -12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.393 6.728 -12.643 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.429 6.161 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.289 7.395 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.451 8.088 -12.907 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.086 3.964 -11.995 1.00 0.00 N ATOM 1391 CA LEU A 116 -3.881 3.228 -12.385 1.00 0.00 C ATOM 1392 C LEU A 116 -4.002 1.736 -12.063 1.00 0.00 C ATOM 1393 O LEU A 116 -3.577 0.890 -12.850 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.658 3.809 -11.667 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.314 5.256 -12.025 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.154 5.751 -11.176 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -1.984 5.376 -13.506 1.00 0.00 C ATOM 0 H LEU A 116 -5.025 4.405 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.763 3.334 -13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.826 3.749 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.795 3.182 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.183 5.880 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.922 6.782 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.428 5.702 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.280 5.124 -11.353 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.742 6.412 -13.742 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.130 4.741 -13.741 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.844 5.061 -14.097 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.584 1.422 -10.903 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.750 0.032 -10.476 1.00 0.00 C ATOM 1411 C ALA A 117 -6.203 -0.420 -10.613 1.00 0.00 C ATOM 1412 O ALA A 117 -7.114 0.406 -10.637 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.275 -0.140 -9.039 1.00 0.00 C ATOM 0 H ALA A 117 -4.947 2.111 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.141 -0.595 -11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.404 -1.179 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.221 0.130 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.859 0.506 -8.383 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.439 -1.744 -10.713 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.792 -2.301 -10.843 1.00 0.00 C ATOM 1421 C PRO A 118 -8.721 -1.887 -9.698 1.00 0.00 C ATOM 1422 O PRO A 118 -8.299 -1.254 -8.727 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.574 -3.821 -10.834 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.188 -4.022 -10.326 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.415 -2.799 -10.728 1.00 0.00 C ATOM 0 HA PRO A 118 -8.281 -1.936 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -8.303 -4.318 -10.193 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.690 -4.240 -11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.184 -4.147 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.743 -4.921 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.605 -2.586 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.965 -2.911 -11.714 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.989 -2.267 -9.831 1.00 0.00 N ATOM 1434 CA ASP A 119 -11.024 -1.949 -8.843 1.00 0.00 C ATOM 1435 C ASP A 119 -10.770 -2.575 -7.465 1.00 0.00 C ATOM 1436 O ASP A 119 -11.408 -2.173 -6.490 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.388 -2.421 -9.358 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.421 -3.911 -9.656 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -12.728 -4.694 -8.732 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -12.138 -4.293 -10.811 1.00 0.00 O ATOM 0 H ASP A 119 -10.331 -2.805 -10.627 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.003 -0.867 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.152 -2.186 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.641 -1.868 -10.263 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.854 -3.544 -7.370 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.606 -4.191 -6.081 1.00 0.00 C ATOM 1447 C PHE A 120 -8.261 -3.788 -5.464 1.00 0.00 C ATOM 1448 O PHE A 120 -8.224 -3.241 -4.361 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.730 -5.713 -6.200 1.00 0.00 C ATOM 1450 CG PHE A 120 -9.485 -6.445 -4.911 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -10.492 -6.570 -3.967 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -8.247 -7.008 -4.644 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -10.270 -7.241 -2.781 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -8.019 -7.682 -3.459 1.00 0.00 C ATOM 1455 CZ PHE A 120 -9.031 -7.798 -2.526 1.00 0.00 C ATOM 0 H PHE A 120 -9.288 -3.889 -8.145 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.377 -3.836 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.728 -5.959 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.022 -6.068 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.462 -6.137 -4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -7.452 -6.919 -5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.063 -7.331 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.050 -8.118 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.854 -8.323 -1.599 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.163 -4.062 -6.175 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.818 -3.744 -5.670 1.00 0.00 C ATOM 1467 C VAL A 121 -5.648 -2.251 -5.370 1.00 0.00 C ATOM 1468 O VAL A 121 -4.891 -1.881 -4.469 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.704 -4.189 -6.649 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -4.971 -5.587 -7.188 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.543 -3.189 -7.783 1.00 0.00 C ATOM 0 H VAL A 121 -7.175 -4.500 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.718 -4.305 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.767 -4.220 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.172 -5.872 -7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.009 -6.295 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.923 -5.597 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.754 -3.526 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.480 -3.109 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.279 -2.214 -7.374 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.347 -1.399 -6.128 1.00 0.00 N ATOM 1482 CA GLY A 122 -6.257 0.041 -5.924 1.00 0.00 C ATOM 1483 C GLY A 122 -6.523 0.458 -4.486 1.00 0.00 C ATOM 1484 O GLY A 122 -5.949 1.437 -4.006 1.00 0.00 O ATOM 0 H GLY A 122 -6.974 -1.683 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.264 0.382 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.971 0.540 -6.579 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.394 -0.284 -3.798 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.734 0.013 -2.407 1.00 0.00 C ATOM 1490 C ASP A 123 -6.585 -0.348 -1.464 1.00 0.00 C ATOM 1491 O ASP A 123 -6.227 0.436 -0.587 1.00 0.00 O ATOM 1492 CB ASP A 123 -9.001 -0.743 -1.994 1.00 0.00 C ATOM 1493 CG ASP A 123 -10.190 -0.408 -2.875 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.862 0.610 -2.604 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.449 -1.164 -3.835 1.00 0.00 O ATOM 0 H ASP A 123 -7.877 -1.096 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.914 1.085 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.811 -1.815 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.242 -0.504 -0.958 1.00 0.00 H new ATOM 1500 N ILE A 124 -6.013 -1.540 -1.648 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.907 -2.006 -0.807 1.00 0.00 C ATOM 1502 C ILE A 124 -3.679 -1.109 -0.943 1.00 0.00 C ATOM 1503 O ILE A 124 -3.195 -0.551 0.042 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.492 -3.450 -1.162 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.675 -4.405 -1.005 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.322 -3.896 -0.292 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.329 -5.843 -1.316 1.00 0.00 C ATOM 0 H ILE A 124 -6.297 -2.200 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.273 -1.972 0.219 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.174 -3.471 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.051 -4.342 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.483 -4.083 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.041 -4.916 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.473 -3.232 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.614 -3.859 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.213 -6.467 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.981 -5.919 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.543 -6.182 -0.642 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.180 -0.992 -2.172 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.995 -0.187 -2.456 1.00 0.00 C ATOM 1521 C LEU A 125 -2.117 1.225 -1.882 1.00 0.00 C ATOM 1522 O LEU A 125 -1.295 1.624 -1.063 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.730 -0.132 -3.961 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.541 -1.490 -4.641 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.488 -1.327 -6.152 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.280 -2.173 -4.128 1.00 0.00 C ATOM 0 H LEU A 125 -3.581 -1.448 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.148 -0.669 -1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.561 0.384 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.838 0.470 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.395 -2.121 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.353 -2.303 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.419 -0.882 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.653 -0.679 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.162 -3.137 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.586 -1.547 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.361 -2.325 -3.052 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.144 1.976 -2.293 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.326 3.340 -1.792 1.00 0.00 C ATOM 1540 C TRP A 126 -3.534 3.352 -0.271 1.00 0.00 C ATOM 1541 O TRP A 126 -3.130 4.306 0.394 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.473 4.059 -2.524 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.286 4.964 -1.643 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.100 6.301 -1.445 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.403 4.589 -0.832 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.035 6.781 -0.560 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.847 5.748 -0.169 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.072 3.384 -0.603 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.928 5.735 0.709 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.144 3.373 0.268 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.564 4.542 0.914 1.00 0.00 C ATOM 0 H TRP A 126 -3.851 1.668 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.410 3.893 -2.001 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.057 4.644 -3.344 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.132 3.313 -2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.330 6.895 -1.915 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.112 7.748 -0.245 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.757 2.477 -1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.252 6.635 1.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.667 2.447 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.407 4.501 1.588 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.148 2.304 0.282 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.355 2.231 1.729 1.00 0.00 C ATOM 1564 C GLU A 127 -3.007 2.289 2.451 1.00 0.00 C ATOM 1565 O GLU A 127 -2.775 3.170 3.281 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.102 0.948 2.110 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.395 0.828 3.597 1.00 0.00 C ATOM 1568 CD GLU A 127 -5.890 -0.553 3.984 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.119 -0.775 3.951 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.048 -1.412 4.321 1.00 0.00 O ATOM 0 H GLU A 127 -4.506 1.505 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.963 3.083 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.042 0.909 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.512 0.088 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.491 1.057 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.143 1.570 3.877 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.117 1.351 2.114 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.784 1.300 2.712 1.00 0.00 C ATOM 1579 C HIS A 128 0.076 2.466 2.214 1.00 0.00 C ATOM 1580 O HIS A 128 0.962 2.939 2.926 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.103 -0.034 2.382 1.00 0.00 C ATOM 1582 CG HIS A 128 1.199 -0.247 3.097 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.191 -1.081 2.622 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.670 0.267 4.260 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.213 -1.069 3.460 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.922 -0.259 4.460 1.00 0.00 N ATOM 0 H HIS A 128 -2.298 0.617 1.429 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.891 1.384 3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.782 -0.849 2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.072 -0.085 1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.156 0.961 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.130 -1.627 3.346 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.530 -0.056 5.254 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.195 2.921 0.986 1.00 0.00 N ATOM 1596 CA LEU A 129 0.539 4.035 0.388 1.00 0.00 C ATOM 1597 C LEU A 129 0.433 5.284 1.260 1.00 0.00 C ATOM 1598 O LEU A 129 1.443 5.914 1.573 1.00 0.00 O ATOM 1599 CB LEU A 129 0.003 4.332 -1.018 1.00 0.00 C ATOM 1600 CG LEU A 129 0.789 5.378 -1.815 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.240 4.952 -1.987 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.136 5.608 -3.170 1.00 0.00 C ATOM 0 H LEU A 129 -0.922 2.531 0.386 1.00 0.00 H new ATOM 0 HA LEU A 129 1.589 3.750 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -0.011 3.402 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.030 4.668 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 129 0.776 6.314 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.777 5.711 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.704 4.837 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.280 4.003 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.705 6.353 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.120 4.673 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.885 5.963 -3.027 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.796 5.635 1.655 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.020 6.807 2.499 1.00 0.00 C ATOM 1616 C GLU A 130 -0.436 6.577 3.892 1.00 0.00 C ATOM 1617 O GLU A 130 0.066 7.506 4.526 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.515 7.138 2.602 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.209 7.341 1.260 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.389 8.159 0.279 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.335 9.396 0.435 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -1.803 7.559 -0.648 1.00 0.00 O ATOM 0 H GLU A 130 -1.644 5.126 1.404 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.515 7.655 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.017 6.333 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.634 8.042 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.425 6.368 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.166 7.836 1.425 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.510 5.325 4.362 1.00 0.00 N ATOM 1630 CA ILE A 131 0.022 4.951 5.671 1.00 0.00 C ATOM 1631 C ILE A 131 1.537 5.169 5.720 1.00 0.00 C ATOM 1632 O ILE A 131 2.083 5.579 6.745 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.311 3.477 6.002 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.809 3.319 6.275 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.504 2.987 7.189 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.265 1.876 6.327 1.00 0.00 C ATOM 0 H ILE A 131 -0.936 4.553 3.849 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.450 5.589 6.418 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.047 2.866 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.051 3.802 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.369 3.841 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.251 1.948 7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.566 3.061 6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.280 3.600 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.336 1.840 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -2.055 1.393 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.732 1.354 7.122 1.00 0.00 H new ATOM 1648 N LEU A 132 2.207 4.881 4.604 1.00 0.00 N ATOM 1649 CA LEU A 132 3.652 5.072 4.497 1.00 0.00 C ATOM 1650 C LEU A 132 4.002 6.561 4.553 1.00 0.00 C ATOM 1651 O LEU A 132 5.022 6.945 5.130 1.00 0.00 O ATOM 1652 CB LEU A 132 4.170 4.463 3.189 1.00 0.00 C ATOM 1653 CG LEU A 132 4.174 2.932 3.138 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.503 2.445 1.735 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.165 2.366 4.146 1.00 0.00 C ATOM 0 H LEU A 132 1.770 4.513 3.759 1.00 0.00 H new ATOM 0 HA LEU A 132 4.129 4.569 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.560 4.836 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.186 4.819 3.019 1.00 0.00 H new ATOM 0 HG LEU A 132 3.177 2.577 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.501 1.355 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.756 2.820 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.488 2.811 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.154 1.277 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.166 2.730 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.885 2.685 5.150 1.00 0.00 H new ATOM 1667 N GLN A 133 3.145 7.392 3.949 1.00 0.00 N ATOM 1668 CA GLN A 133 3.344 8.840 3.927 1.00 0.00 C ATOM 1669 C GLN A 133 3.365 9.419 5.340 1.00 0.00 C ATOM 1670 O GLN A 133 4.326 10.083 5.727 1.00 0.00 O ATOM 1671 CB GLN A 133 2.247 9.513 3.099 1.00 0.00 C ATOM 1672 CG GLN A 133 2.246 9.090 1.641 1.00 0.00 C ATOM 1673 CD GLN A 133 1.160 9.769 0.828 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.755 10.894 1.123 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.686 9.088 -0.209 1.00 0.00 N ATOM 0 H GLN A 133 2.302 7.080 3.467 1.00 0.00 H new ATOM 0 HA GLN A 133 4.312 9.038 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 133 1.277 9.280 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 133 2.371 10.594 3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 133 3.217 9.318 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.115 8.010 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 133 1.050 8.158 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.042 9.495 -0.797 1.00 0.00 H new