USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 THR OG1 : rot 87:sc= 1.27 USER MOD Set 2.1: A 48 SER OG : rot 180:sc= -0.134 USER MOD Set 2.2: A 50 GLN : amide:sc= -0.27 K(o=-0.4,f=-3.4!) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 35 CYS SG : rot 62:sc= 0.915 USER MOD Set 4.1: A 30 SER OG : rot 82:sc= 0.953 USER MOD Set 4.2: A 33 GLN : amide:sc= 0.612 K(o=1.6,f=-3.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.34) USER MOD Single : A 44 GLN : amide:sc= -0.225 K(o=-0.22,f=-3.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.85 K(o=-2.9,f=-1.9) USER MOD Single : A 52 MET CE :methyl -174:sc= -1.12 (180deg=-1.26) USER MOD Single : A 53 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.25) USER MOD Single : A 56 SER OG : rot 11:sc= 0.427 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.2) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.18) USER MOD Single : A 71 GLN : amide:sc= -1.66! C(o=-1.7!,f=-3.8!) USER MOD Single : A 72 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.6!) USER MOD Single : A 73 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.19) USER MOD Single : A 75 MET CE :methyl -162:sc= -0.132 (180deg=-0.585) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0124 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 9.282 1.353 4.292 1.00 0.00 N ATOM 479 CA SER A 30 9.558 2.118 5.495 1.00 0.00 C ATOM 480 C SER A 30 8.259 2.386 6.249 1.00 0.00 C ATOM 481 O SER A 30 7.171 2.182 5.704 1.00 0.00 O ATOM 482 CB SER A 30 10.249 3.432 5.127 1.00 0.00 C ATOM 483 OG SER A 30 11.322 3.197 4.232 1.00 0.00 O ATOM 0 HA SER A 30 10.222 1.546 6.143 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.530 4.112 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.620 3.919 6.029 1.00 0.00 H new ATOM 0 HG SER A 30 10.975 3.116 3.319 1.00 0.00 H new ATOM 489 N SER A 31 8.373 2.850 7.490 1.00 0.00 N ATOM 490 CA SER A 31 7.205 3.094 8.329 1.00 0.00 C ATOM 491 C SER A 31 6.217 4.038 7.645 1.00 0.00 C ATOM 492 O SER A 31 5.059 3.683 7.442 1.00 0.00 O ATOM 493 CB SER A 31 7.634 3.679 9.679 1.00 0.00 C ATOM 494 OG SER A 31 6.513 3.914 10.513 1.00 0.00 O ATOM 0 H SER A 31 9.264 3.065 7.937 1.00 0.00 H new ATOM 0 HA SER A 31 6.707 2.138 8.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.322 2.993 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.174 4.612 9.519 1.00 0.00 H new ATOM 0 HG SER A 31 6.814 4.286 11.368 1.00 0.00 H new ATOM 500 N THR A 32 6.693 5.220 7.262 1.00 0.00 N ATOM 501 CA THR A 32 5.846 6.221 6.625 1.00 0.00 C ATOM 502 C THR A 32 5.165 5.659 5.378 1.00 0.00 C ATOM 503 O THR A 32 3.988 5.915 5.142 1.00 0.00 O ATOM 504 CB THR A 32 6.665 7.468 6.252 1.00 0.00 C ATOM 505 OG1 THR A 32 7.414 7.901 7.391 1.00 0.00 O ATOM 506 CG2 THR A 32 5.759 8.595 5.781 1.00 0.00 C ATOM 0 H THR A 32 7.664 5.507 7.383 1.00 0.00 H new ATOM 0 HA THR A 32 5.075 6.502 7.343 1.00 0.00 H new ATOM 0 HB THR A 32 7.341 7.208 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.938 8.695 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.364 9.465 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.200 8.270 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.063 8.860 6.577 1.00 0.00 H new ATOM 514 N GLN A 33 5.900 4.866 4.600 1.00 0.00 N ATOM 515 CA GLN A 33 5.349 4.256 3.394 1.00 0.00 C ATOM 516 C GLN A 33 4.151 3.375 3.737 1.00 0.00 C ATOM 517 O GLN A 33 3.092 3.488 3.123 1.00 0.00 O ATOM 518 CB GLN A 33 6.415 3.435 2.668 1.00 0.00 C ATOM 519 CG GLN A 33 7.525 4.279 2.066 1.00 0.00 C ATOM 520 CD GLN A 33 8.618 3.445 1.431 1.00 0.00 C ATOM 521 OE1 GLN A 33 9.583 3.065 2.088 1.00 0.00 O ATOM 522 NE2 GLN A 33 8.472 3.156 0.150 1.00 0.00 N ATOM 0 H GLN A 33 6.876 4.632 4.784 1.00 0.00 H new ATOM 0 HA GLN A 33 5.016 5.056 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.851 2.721 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.940 2.856 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.101 4.947 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.959 4.908 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.654 3.492 -0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.177 2.597 -0.330 1.00 0.00 H new ATOM 531 N LEU A 34 4.326 2.513 4.731 1.00 0.00 N ATOM 532 CA LEU A 34 3.254 1.635 5.181 1.00 0.00 C ATOM 533 C LEU A 34 2.108 2.439 5.794 1.00 0.00 C ATOM 534 O LEU A 34 0.936 2.138 5.561 1.00 0.00 O ATOM 535 CB LEU A 34 3.795 0.621 6.190 1.00 0.00 C ATOM 536 CG LEU A 34 4.833 -0.359 5.631 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.350 -1.280 6.724 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.239 -1.173 4.490 1.00 0.00 C ATOM 0 H LEU A 34 5.202 2.403 5.242 1.00 0.00 H new ATOM 0 HA LEU A 34 2.863 1.099 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.241 1.163 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.958 0.050 6.593 1.00 0.00 H new ATOM 0 HG LEU A 34 5.672 0.220 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.085 -1.966 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.816 -0.686 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.520 -1.849 7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.990 -1.863 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.380 -1.737 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.920 -0.502 3.692 1.00 0.00 H new ATOM 550 N CYS A 35 2.450 3.466 6.566 1.00 0.00 N ATOM 551 CA CYS A 35 1.447 4.332 7.178 1.00 0.00 C ATOM 552 C CYS A 35 0.595 5.020 6.112 1.00 0.00 C ATOM 553 O CYS A 35 -0.625 5.092 6.240 1.00 0.00 O ATOM 554 CB CYS A 35 2.111 5.384 8.069 1.00 0.00 C ATOM 555 SG CYS A 35 3.071 4.701 9.439 1.00 0.00 S ATOM 0 H CYS A 35 3.414 3.719 6.783 1.00 0.00 H new ATOM 0 HA CYS A 35 0.799 3.706 7.792 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.766 6.002 7.455 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.340 6.040 8.473 1.00 0.00 H new ATOM 0 HG CYS A 35 4.047 3.982 8.969 1.00 0.00 H new ATOM 561 N VAL A 36 1.240 5.507 5.057 1.00 0.00 N ATOM 562 CA VAL A 36 0.534 6.172 3.965 1.00 0.00 C ATOM 563 C VAL A 36 -0.366 5.186 3.219 1.00 0.00 C ATOM 564 O VAL A 36 -1.500 5.516 2.870 1.00 0.00 O ATOM 565 CB VAL A 36 1.512 6.855 2.979 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.768 7.440 1.788 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.298 7.948 3.687 1.00 0.00 C ATOM 0 H VAL A 36 2.251 5.454 4.934 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.087 6.949 4.410 1.00 0.00 H new ATOM 0 HB VAL A 36 2.204 6.097 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.479 7.914 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.241 6.644 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.050 8.182 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.982 8.420 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.609 8.696 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.867 7.513 4.508 1.00 0.00 H new ATOM 577 N LEU A 37 0.132 3.973 2.993 1.00 0.00 N ATOM 578 CA LEU A 37 -0.669 2.924 2.364 1.00 0.00 C ATOM 579 C LEU A 37 -1.940 2.681 3.171 1.00 0.00 C ATOM 580 O LEU A 37 -3.044 2.614 2.623 1.00 0.00 O ATOM 581 CB LEU A 37 0.130 1.623 2.258 1.00 0.00 C ATOM 582 CG LEU A 37 1.360 1.679 1.349 1.00 0.00 C ATOM 583 CD1 LEU A 37 2.120 0.363 1.398 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.953 1.999 -0.080 1.00 0.00 C ATOM 0 H LEU A 37 1.082 3.692 3.235 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.936 3.253 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.451 1.332 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.533 0.838 1.895 1.00 0.00 H new ATOM 0 HG LEU A 37 2.015 2.472 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.991 0.421 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.445 0.168 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.470 -0.445 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.841 2.035 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.277 1.227 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.449 2.965 -0.107 1.00 0.00 H new ATOM 596 N ASN A 38 -1.769 2.574 4.482 1.00 0.00 N ATOM 597 CA ASN A 38 -2.886 2.381 5.397 1.00 0.00 C ATOM 598 C ASN A 38 -3.802 3.594 5.367 1.00 0.00 C ATOM 599 O ASN A 38 -5.019 3.457 5.309 1.00 0.00 O ATOM 600 CB ASN A 38 -2.362 2.140 6.818 1.00 0.00 C ATOM 601 CG ASN A 38 -3.466 1.904 7.834 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.525 1.368 7.513 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.214 2.292 9.076 1.00 0.00 N ATOM 0 H ASN A 38 -0.858 2.618 4.939 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.457 1.508 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.695 1.278 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.769 3.000 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.912 2.149 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.322 2.733 9.301 1.00 0.00 H new ATOM 610 N ASP A 39 -3.197 4.779 5.375 1.00 0.00 N ATOM 611 CA ASP A 39 -3.937 6.039 5.325 1.00 0.00 C ATOM 612 C ASP A 39 -4.860 6.080 4.118 1.00 0.00 C ATOM 613 O ASP A 39 -6.033 6.426 4.238 1.00 0.00 O ATOM 614 CB ASP A 39 -2.969 7.226 5.278 1.00 0.00 C ATOM 615 CG ASP A 39 -3.678 8.546 5.039 1.00 0.00 C ATOM 616 OD1 ASP A 39 -3.881 8.913 3.859 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.041 9.216 6.028 1.00 0.00 O ATOM 0 H ASP A 39 -2.184 4.894 5.416 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.543 6.108 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.418 7.278 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.237 7.062 4.487 1.00 0.00 H new ATOM 622 N ARG A 40 -4.324 5.714 2.959 1.00 0.00 N ATOM 623 CA ARG A 40 -5.103 5.666 1.729 1.00 0.00 C ATOM 624 C ARG A 40 -6.356 4.825 1.912 1.00 0.00 C ATOM 625 O ARG A 40 -7.453 5.258 1.564 1.00 0.00 O ATOM 626 CB ARG A 40 -4.268 5.096 0.583 1.00 0.00 C ATOM 627 CG ARG A 40 -3.589 6.138 -0.298 1.00 0.00 C ATOM 628 CD ARG A 40 -2.534 6.940 0.449 1.00 0.00 C ATOM 629 NE ARG A 40 -3.102 8.054 1.209 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.175 9.302 0.757 1.00 0.00 C ATOM 631 NH1 ARG A 40 -2.772 9.591 -0.477 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.641 10.259 1.546 1.00 0.00 N ATOM 0 H ARG A 40 -3.347 5.445 2.846 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.396 6.687 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.503 4.441 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.911 4.477 -0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.126 5.641 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.342 6.818 -0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.996 6.279 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.805 7.326 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.464 7.861 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.406 8.854 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.829 10.550 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.941 10.036 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.699 11.218 1.204 1.00 0.00 H new ATOM 646 N PHE A 41 -6.189 3.633 2.478 1.00 0.00 N ATOM 647 CA PHE A 41 -7.311 2.728 2.697 1.00 0.00 C ATOM 648 C PHE A 41 -8.197 3.198 3.850 1.00 0.00 C ATOM 649 O PHE A 41 -9.364 2.817 3.946 1.00 0.00 O ATOM 650 CB PHE A 41 -6.811 1.310 2.949 1.00 0.00 C ATOM 651 CG PHE A 41 -6.289 0.674 1.700 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.071 0.658 0.561 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.021 0.117 1.650 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.608 0.101 -0.603 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.549 -0.451 0.481 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.345 -0.458 -0.650 1.00 0.00 C ATOM 0 H PHE A 41 -5.288 3.272 2.793 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.919 2.730 1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.024 1.331 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.623 0.705 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.060 1.090 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.397 0.127 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.231 0.099 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.562 -0.888 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.981 -0.899 -1.566 1.00 0.00 H new ATOM 666 N GLN A 42 -7.639 4.011 4.737 1.00 0.00 N ATOM 667 CA GLN A 42 -8.420 4.582 5.830 1.00 0.00 C ATOM 668 C GLN A 42 -9.364 5.667 5.319 1.00 0.00 C ATOM 669 O GLN A 42 -10.548 5.678 5.655 1.00 0.00 O ATOM 670 CB GLN A 42 -7.513 5.155 6.925 1.00 0.00 C ATOM 671 CG GLN A 42 -6.718 4.107 7.684 1.00 0.00 C ATOM 672 CD GLN A 42 -7.591 2.997 8.228 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.107 3.086 9.341 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.753 1.939 7.451 1.00 0.00 N ATOM 0 H GLN A 42 -6.658 4.289 4.724 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.012 3.774 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.820 5.864 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.125 5.714 7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.963 3.680 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.188 4.584 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.307 1.906 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.324 1.156 7.768 1.00 0.00 H new ATOM 683 N ARG A 43 -8.845 6.568 4.493 1.00 0.00 N ATOM 684 CA ARG A 43 -9.643 7.681 3.991 1.00 0.00 C ATOM 685 C ARG A 43 -10.662 7.184 2.973 1.00 0.00 C ATOM 686 O ARG A 43 -11.794 7.668 2.922 1.00 0.00 O ATOM 687 CB ARG A 43 -8.752 8.760 3.364 1.00 0.00 C ATOM 688 CG ARG A 43 -7.521 9.095 4.188 1.00 0.00 C ATOM 689 CD ARG A 43 -7.873 9.412 5.630 1.00 0.00 C ATOM 690 NE ARG A 43 -6.682 9.416 6.474 1.00 0.00 N ATOM 691 CZ ARG A 43 -6.680 9.164 7.780 1.00 0.00 C ATOM 692 NH1 ARG A 43 -7.810 8.912 8.425 1.00 0.00 N ATOM 693 NH2 ARG A 43 -5.531 9.151 8.440 1.00 0.00 N ATOM 0 H ARG A 43 -7.882 6.551 4.158 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.172 8.125 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.436 8.427 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.340 9.667 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.826 8.256 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.008 9.948 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.363 10.384 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.585 8.676 6.004 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.788 9.627 6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.696 8.910 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.794 8.720 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.657 9.333 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.520 8.959 9.442 1.00 0.00 H new ATOM 707 N GLN A 44 -10.255 6.216 2.170 1.00 0.00 N ATOM 708 CA GLN A 44 -11.147 5.598 1.206 1.00 0.00 C ATOM 709 C GLN A 44 -10.853 4.107 1.171 1.00 0.00 C ATOM 710 O GLN A 44 -9.693 3.710 1.132 1.00 0.00 O ATOM 711 CB GLN A 44 -10.945 6.227 -0.179 1.00 0.00 C ATOM 712 CG GLN A 44 -12.236 6.437 -0.960 1.00 0.00 C ATOM 713 CD GLN A 44 -12.887 5.143 -1.400 1.00 0.00 C ATOM 714 OE1 GLN A 44 -13.693 4.559 -0.676 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.552 4.691 -2.596 1.00 0.00 N ATOM 0 H GLN A 44 -9.307 5.840 2.167 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.186 5.758 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.444 7.188 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.280 5.590 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.938 6.998 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.026 7.047 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.880 5.205 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.966 3.828 -2.949 1.00 0.00 H new ATOM 724 N LYS A 45 -11.896 3.287 1.167 1.00 0.00 N ATOM 725 CA LYS A 45 -11.734 1.847 1.350 1.00 0.00 C ATOM 726 C LYS A 45 -10.948 1.203 0.208 1.00 0.00 C ATOM 727 O LYS A 45 -10.370 0.133 0.379 1.00 0.00 O ATOM 728 CB LYS A 45 -13.096 1.164 1.519 1.00 0.00 C ATOM 729 CG LYS A 45 -14.075 1.414 0.383 1.00 0.00 C ATOM 730 CD LYS A 45 -15.394 0.701 0.628 1.00 0.00 C ATOM 731 CE LYS A 45 -15.206 -0.804 0.704 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.481 -1.514 0.969 1.00 0.00 N ATOM 0 H LYS A 45 -12.861 3.591 1.040 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.154 1.705 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.939 0.090 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.546 1.506 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.251 2.485 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.642 1.070 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.837 1.061 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.093 0.942 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.780 -1.163 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.490 -1.040 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.305 -2.538 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.876 -1.191 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.157 -1.311 0.205 1.00 0.00 H new ATOM 746 N TYR A 46 -10.927 1.853 -0.951 1.00 0.00 N ATOM 747 CA TYR A 46 -10.142 1.371 -2.082 1.00 0.00 C ATOM 748 C TYR A 46 -9.438 2.532 -2.771 1.00 0.00 C ATOM 749 O TYR A 46 -9.731 3.696 -2.496 1.00 0.00 O ATOM 750 CB TYR A 46 -11.019 0.613 -3.085 1.00 0.00 C ATOM 751 CG TYR A 46 -11.584 -0.679 -2.535 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.744 -1.681 -2.061 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.954 -0.892 -2.478 1.00 0.00 C ATOM 754 CE1 TYR A 46 -11.256 -2.858 -1.546 1.00 0.00 C ATOM 755 CE2 TYR A 46 -13.474 -2.064 -1.964 1.00 0.00 C ATOM 756 CZ TYR A 46 -12.623 -3.045 -1.501 1.00 0.00 C ATOM 757 OH TYR A 46 -13.144 -4.214 -0.987 1.00 0.00 O ATOM 0 H TYR A 46 -11.444 2.714 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.392 0.679 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.842 1.257 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.431 0.393 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.674 -1.538 -2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.625 -0.128 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.590 -3.626 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -14.543 -2.211 -1.925 1.00 0.00 H new ATOM 0 HH TYR A 46 -14.123 -4.182 -1.029 1.00 0.00 H new ATOM 767 N LEU A 47 -8.507 2.214 -3.658 1.00 0.00 N ATOM 768 CA LEU A 47 -7.739 3.236 -4.346 1.00 0.00 C ATOM 769 C LEU A 47 -8.418 3.657 -5.638 1.00 0.00 C ATOM 770 O LEU A 47 -8.771 2.825 -6.474 1.00 0.00 O ATOM 771 CB LEU A 47 -6.315 2.753 -4.641 1.00 0.00 C ATOM 772 CG LEU A 47 -5.438 2.524 -3.411 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.074 1.984 -3.819 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.283 3.816 -2.625 1.00 0.00 C ATOM 0 H LEU A 47 -8.267 1.257 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.685 4.100 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.374 1.822 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.826 3.484 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.924 1.785 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.464 1.827 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.200 1.037 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.581 2.700 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.656 3.638 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.818 4.573 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.264 4.165 -2.302 1.00 0.00 H new ATOM 786 N SER A 48 -8.601 4.957 -5.781 1.00 0.00 N ATOM 787 CA SER A 48 -9.127 5.531 -6.997 1.00 0.00 C ATOM 788 C SER A 48 -7.978 5.772 -7.966 1.00 0.00 C ATOM 789 O SER A 48 -6.813 5.553 -7.623 1.00 0.00 O ATOM 790 CB SER A 48 -9.852 6.845 -6.678 1.00 0.00 C ATOM 791 OG SER A 48 -10.378 7.449 -7.845 1.00 0.00 O ATOM 0 H SER A 48 -8.388 5.641 -5.055 1.00 0.00 H new ATOM 0 HA SER A 48 -9.843 4.848 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.660 6.653 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.161 7.533 -6.192 1.00 0.00 H new ATOM 0 HG SER A 48 -10.834 8.282 -7.605 1.00 0.00 H new ATOM 797 N LEU A 49 -8.305 6.255 -9.153 1.00 0.00 N ATOM 798 CA LEU A 49 -7.323 6.501 -10.189 1.00 0.00 C ATOM 799 C LEU A 49 -6.405 7.630 -9.757 1.00 0.00 C ATOM 800 O LEU A 49 -5.207 7.624 -10.027 1.00 0.00 O ATOM 801 CB LEU A 49 -8.027 6.862 -11.502 1.00 0.00 C ATOM 802 CG LEU A 49 -8.594 5.688 -12.318 1.00 0.00 C ATOM 803 CD1 LEU A 49 -7.509 4.665 -12.619 1.00 0.00 C ATOM 804 CD2 LEU A 49 -9.771 5.039 -11.600 1.00 0.00 C ATOM 0 H LEU A 49 -9.261 6.487 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.730 5.600 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.844 7.547 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.321 7.406 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.959 6.083 -13.266 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.933 3.844 -13.197 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.712 5.138 -13.192 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.103 4.279 -11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.152 4.212 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.444 4.664 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.561 5.776 -11.456 1.00 0.00 H new ATOM 816 N GLN A 50 -6.993 8.588 -9.065 1.00 0.00 N ATOM 817 CA GLN A 50 -6.269 9.711 -8.518 1.00 0.00 C ATOM 818 C GLN A 50 -5.441 9.283 -7.308 1.00 0.00 C ATOM 819 O GLN A 50 -4.296 9.695 -7.147 1.00 0.00 O ATOM 820 CB GLN A 50 -7.260 10.809 -8.127 1.00 0.00 C ATOM 821 CG GLN A 50 -7.822 11.602 -9.305 1.00 0.00 C ATOM 822 CD GLN A 50 -8.673 10.769 -10.253 1.00 0.00 C ATOM 823 OE1 GLN A 50 -9.329 9.807 -9.848 1.00 0.00 O ATOM 824 NE2 GLN A 50 -8.660 11.135 -11.525 1.00 0.00 N ATOM 0 H GLN A 50 -7.994 8.605 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.583 10.095 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.088 10.356 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.767 11.499 -7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.422 12.428 -8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.995 12.041 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.103 11.938 -11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.207 10.614 -12.211 1.00 0.00 H new ATOM 833 N GLN A 51 -6.017 8.427 -6.475 1.00 0.00 N ATOM 834 CA GLN A 51 -5.354 7.982 -5.260 1.00 0.00 C ATOM 835 C GLN A 51 -4.123 7.140 -5.574 1.00 0.00 C ATOM 836 O GLN A 51 -3.084 7.294 -4.937 1.00 0.00 O ATOM 837 CB GLN A 51 -6.320 7.180 -4.393 1.00 0.00 C ATOM 838 CG GLN A 51 -7.506 7.981 -3.881 1.00 0.00 C ATOM 839 CD GLN A 51 -8.480 7.136 -3.080 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.678 7.396 -3.073 1.00 0.00 O ATOM 841 NE2 GLN A 51 -7.972 6.126 -2.390 1.00 0.00 N ATOM 0 H GLN A 51 -6.944 8.027 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.031 8.869 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.690 6.332 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.775 6.773 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.145 8.800 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.029 8.429 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.969 5.941 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.583 5.534 -1.828 1.00 0.00 H new ATOM 850 N MET A 52 -4.238 6.251 -6.555 1.00 0.00 N ATOM 851 CA MET A 52 -3.126 5.375 -6.913 1.00 0.00 C ATOM 852 C MET A 52 -1.969 6.165 -7.525 1.00 0.00 C ATOM 853 O MET A 52 -0.808 5.891 -7.227 1.00 0.00 O ATOM 854 CB MET A 52 -3.586 4.262 -7.864 1.00 0.00 C ATOM 855 CG MET A 52 -4.077 4.754 -9.216 1.00 0.00 C ATOM 856 SD MET A 52 -4.683 3.424 -10.273 1.00 0.00 S ATOM 857 CE MET A 52 -6.092 2.846 -9.332 1.00 0.00 C ATOM 0 H MET A 52 -5.082 6.118 -7.113 1.00 0.00 H new ATOM 0 HA MET A 52 -2.765 4.911 -5.995 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.758 3.570 -8.021 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.386 3.698 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.874 5.482 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.264 5.273 -9.724 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.506 1.956 -9.806 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.777 2.604 -8.317 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.852 3.626 -9.299 1.00 0.00 H new ATOM 867 N GLN A 53 -2.284 7.161 -8.356 1.00 0.00 N ATOM 868 CA GLN A 53 -1.246 7.973 -8.986 1.00 0.00 C ATOM 869 C GLN A 53 -0.595 8.894 -7.957 1.00 0.00 C ATOM 870 O GLN A 53 0.607 9.163 -8.021 1.00 0.00 O ATOM 871 CB GLN A 53 -1.808 8.783 -10.165 1.00 0.00 C ATOM 872 CG GLN A 53 -2.908 9.764 -9.791 1.00 0.00 C ATOM 873 CD GLN A 53 -3.515 10.471 -10.990 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.983 11.603 -10.883 1.00 0.00 O ATOM 875 NE2 GLN A 53 -3.512 9.812 -12.140 1.00 0.00 N ATOM 0 H GLN A 53 -3.238 7.421 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.485 7.300 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.992 9.334 -10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.195 8.091 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.694 9.231 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.504 10.509 -9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.114 8.874 -12.189 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.907 10.243 -12.976 1.00 0.00 H new ATOM 884 N GLU A 54 -1.394 9.359 -6.998 1.00 0.00 N ATOM 885 CA GLU A 54 -0.877 10.156 -5.895 1.00 0.00 C ATOM 886 C GLU A 54 0.089 9.318 -5.071 1.00 0.00 C ATOM 887 O GLU A 54 1.219 9.730 -4.817 1.00 0.00 O ATOM 888 CB GLU A 54 -2.025 10.660 -5.012 1.00 0.00 C ATOM 889 CG GLU A 54 -1.589 11.647 -3.937 1.00 0.00 C ATOM 890 CD GLU A 54 -2.739 12.106 -3.063 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.639 12.802 -3.577 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.751 11.766 -1.861 1.00 0.00 O ATOM 0 H GLU A 54 -2.400 9.196 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.350 11.021 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.775 11.135 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.505 9.806 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.826 11.183 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.129 12.514 -4.411 1.00 0.00 H new ATOM 899 N LEU A 55 -0.356 8.122 -4.697 1.00 0.00 N ATOM 900 CA LEU A 55 0.434 7.211 -3.880 1.00 0.00 C ATOM 901 C LEU A 55 1.788 6.942 -4.529 1.00 0.00 C ATOM 902 O LEU A 55 2.834 7.080 -3.889 1.00 0.00 O ATOM 903 CB LEU A 55 -0.347 5.902 -3.668 1.00 0.00 C ATOM 904 CG LEU A 55 0.187 4.944 -2.587 1.00 0.00 C ATOM 905 CD1 LEU A 55 1.422 4.192 -3.062 1.00 0.00 C ATOM 906 CD2 LEU A 55 0.496 5.705 -1.309 1.00 0.00 C ATOM 0 H LEU A 55 -1.274 7.759 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 55 0.620 7.670 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.377 6.157 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.373 5.364 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.593 4.210 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.769 3.526 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.173 3.606 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.209 4.904 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.872 5.013 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.250 6.466 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.412 6.183 -0.941 1.00 0.00 H new ATOM 918 N SER A 56 1.759 6.571 -5.801 1.00 0.00 N ATOM 919 CA SER A 56 2.980 6.254 -6.528 1.00 0.00 C ATOM 920 C SER A 56 3.940 7.440 -6.571 1.00 0.00 C ATOM 921 O SER A 56 5.152 7.267 -6.449 1.00 0.00 O ATOM 922 CB SER A 56 2.659 5.779 -7.951 1.00 0.00 C ATOM 923 OG SER A 56 1.759 6.657 -8.610 1.00 0.00 O ATOM 0 H SER A 56 0.904 6.482 -6.351 1.00 0.00 H new ATOM 0 HA SER A 56 3.474 5.446 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.582 5.706 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.228 4.779 -7.912 1.00 0.00 H new ATOM 0 HG SER A 56 1.656 7.476 -8.082 1.00 0.00 H new ATOM 929 N ASN A 57 3.397 8.643 -6.708 1.00 0.00 N ATOM 930 CA ASN A 57 4.227 9.837 -6.838 1.00 0.00 C ATOM 931 C ASN A 57 4.867 10.206 -5.502 1.00 0.00 C ATOM 932 O ASN A 57 5.990 10.709 -5.462 1.00 0.00 O ATOM 933 CB ASN A 57 3.407 11.016 -7.375 1.00 0.00 C ATOM 934 CG ASN A 57 4.258 12.249 -7.645 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.442 13.100 -6.775 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.785 12.355 -8.859 1.00 0.00 N ATOM 0 H ASN A 57 2.393 8.819 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 57 5.021 9.613 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.907 10.716 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.627 11.268 -6.656 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.364 13.161 -9.095 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.611 11.630 -9.555 1.00 0.00 H new ATOM 943 N ILE A 58 4.163 9.936 -4.405 1.00 0.00 N ATOM 944 CA ILE A 58 4.672 10.273 -3.083 1.00 0.00 C ATOM 945 C ILE A 58 5.810 9.341 -2.687 1.00 0.00 C ATOM 946 O ILE A 58 6.847 9.783 -2.187 1.00 0.00 O ATOM 947 CB ILE A 58 3.569 10.201 -2.003 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.368 11.052 -2.421 1.00 0.00 C ATOM 949 CG2 ILE A 58 4.114 10.665 -0.657 1.00 0.00 C ATOM 950 CD1 ILE A 58 1.293 11.171 -1.358 1.00 0.00 C ATOM 0 H ILE A 58 3.246 9.489 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 58 5.036 11.299 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 58 3.242 9.166 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.718 12.051 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.928 10.623 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.326 10.609 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.944 10.024 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.462 11.694 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.478 11.790 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.913 10.179 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.715 11.630 -0.464 1.00 0.00 H new ATOM 962 N LEU A 59 5.627 8.049 -2.932 1.00 0.00 N ATOM 963 CA LEU A 59 6.601 7.060 -2.494 1.00 0.00 C ATOM 964 C LEU A 59 7.634 6.780 -3.580 1.00 0.00 C ATOM 965 O LEU A 59 8.544 5.975 -3.386 1.00 0.00 O ATOM 966 CB LEU A 59 5.902 5.761 -2.078 1.00 0.00 C ATOM 967 CG LEU A 59 4.815 5.919 -1.009 1.00 0.00 C ATOM 968 CD1 LEU A 59 4.322 4.558 -0.547 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.327 6.730 0.175 1.00 0.00 C ATOM 0 H LEU A 59 4.821 7.666 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 59 7.123 7.470 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.456 5.308 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.654 5.064 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 59 3.980 6.460 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.551 4.689 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.908 4.014 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.154 3.994 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.536 6.827 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.183 6.223 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.628 7.721 -0.166 1.00 0.00 H new ATOM 981 N ASN A 60 7.486 7.470 -4.708 1.00 0.00 N ATOM 982 CA ASN A 60 8.360 7.291 -5.870 1.00 0.00 C ATOM 983 C ASN A 60 8.326 5.832 -6.331 1.00 0.00 C ATOM 984 O ASN A 60 9.353 5.218 -6.636 1.00 0.00 O ATOM 985 CB ASN A 60 9.793 7.743 -5.563 1.00 0.00 C ATOM 986 CG ASN A 60 10.657 7.833 -6.812 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.157 8.051 -7.916 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.963 7.692 -6.643 1.00 0.00 N ATOM 0 H ASN A 60 6.757 8.170 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 60 7.990 7.919 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.766 8.716 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.248 7.045 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.591 7.763 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.340 7.512 -5.713 1.00 0.00 H new ATOM 995 N LEU A 61 7.121 5.294 -6.382 1.00 0.00 N ATOM 996 CA LEU A 61 6.897 3.935 -6.831 1.00 0.00 C ATOM 997 C LEU A 61 6.214 3.983 -8.185 1.00 0.00 C ATOM 998 O LEU A 61 5.759 5.043 -8.613 1.00 0.00 O ATOM 999 CB LEU A 61 6.038 3.173 -5.811 1.00 0.00 C ATOM 1000 CG LEU A 61 5.890 1.670 -6.062 1.00 0.00 C ATOM 1001 CD1 LEU A 61 7.247 0.983 -6.002 1.00 0.00 C ATOM 1002 CD2 LEU A 61 4.938 1.055 -5.050 1.00 0.00 C ATOM 0 H LEU A 61 6.271 5.789 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 61 7.847 3.409 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.469 3.317 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.044 3.620 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 61 5.475 1.526 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.123 -0.085 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.903 1.406 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.689 1.135 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.844 -0.014 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.327 1.210 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.959 1.527 -5.137 1.00 0.00 H new ATOM 1014 N SER A 62 6.148 2.853 -8.859 1.00 0.00 N ATOM 1015 CA SER A 62 5.538 2.794 -10.165 1.00 0.00 C ATOM 1016 C SER A 62 4.023 2.830 -10.037 1.00 0.00 C ATOM 1017 O SER A 62 3.452 2.168 -9.169 1.00 0.00 O ATOM 1018 CB SER A 62 5.986 1.524 -10.887 1.00 0.00 C ATOM 1019 OG SER A 62 5.250 1.324 -12.081 1.00 0.00 O ATOM 0 H SER A 62 6.511 1.962 -8.520 1.00 0.00 H new ATOM 0 HA SER A 62 5.854 3.659 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.049 1.591 -11.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.857 0.664 -10.229 1.00 0.00 H new ATOM 0 HG SER A 62 5.559 0.506 -12.523 1.00 0.00 H new ATOM 1025 N TYR A 63 3.387 3.608 -10.901 1.00 0.00 N ATOM 1026 CA TYR A 63 1.932 3.660 -10.980 1.00 0.00 C ATOM 1027 C TYR A 63 1.385 2.267 -11.249 1.00 0.00 C ATOM 1028 O TYR A 63 0.337 1.876 -10.735 1.00 0.00 O ATOM 1029 CB TYR A 63 1.518 4.636 -12.090 1.00 0.00 C ATOM 1030 CG TYR A 63 0.071 4.530 -12.526 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.955 5.072 -11.765 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.263 3.887 -13.712 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.271 4.975 -12.173 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.576 3.788 -14.127 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.577 4.331 -13.354 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.888 4.239 -13.766 1.00 0.00 O ATOM 0 H TYR A 63 3.862 4.219 -11.565 1.00 0.00 H new ATOM 0 HA TYR A 63 1.520 4.013 -10.035 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.705 5.654 -11.747 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.157 4.469 -12.957 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.721 5.577 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.519 3.457 -14.320 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.058 5.402 -11.569 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.816 3.287 -15.053 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.930 3.756 -14.618 1.00 0.00 H new ATOM 1046 N LYS A 64 2.137 1.508 -12.030 1.00 0.00 N ATOM 1047 CA LYS A 64 1.766 0.156 -12.373 1.00 0.00 C ATOM 1048 C LYS A 64 1.900 -0.746 -11.154 1.00 0.00 C ATOM 1049 O LYS A 64 1.075 -1.629 -10.932 1.00 0.00 O ATOM 1050 CB LYS A 64 2.652 -0.343 -13.507 1.00 0.00 C ATOM 1051 CG LYS A 64 2.710 0.614 -14.687 1.00 0.00 C ATOM 1052 CD LYS A 64 3.545 0.061 -15.832 1.00 0.00 C ATOM 1053 CE LYS A 64 3.731 1.097 -16.926 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.378 0.526 -18.135 1.00 0.00 N ATOM 0 H LYS A 64 3.019 1.816 -12.440 1.00 0.00 H new ATOM 0 HA LYS A 64 0.727 0.137 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.661 -0.503 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.283 -1.310 -13.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.699 0.815 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.128 1.566 -14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.519 -0.254 -15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.061 -0.824 -16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.761 1.514 -17.198 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.337 1.920 -16.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.485 1.269 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.315 0.151 -17.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.788 -0.242 -18.515 1.00 0.00 H new ATOM 1068 N GLN A 65 2.937 -0.507 -10.357 1.00 0.00 N ATOM 1069 CA GLN A 65 3.150 -1.274 -9.138 1.00 0.00 C ATOM 1070 C GLN A 65 2.067 -0.962 -8.111 1.00 0.00 C ATOM 1071 O GLN A 65 1.544 -1.868 -7.467 1.00 0.00 O ATOM 1072 CB GLN A 65 4.537 -0.988 -8.552 1.00 0.00 C ATOM 1073 CG GLN A 65 5.680 -1.589 -9.355 1.00 0.00 C ATOM 1074 CD GLN A 65 5.611 -3.102 -9.424 1.00 0.00 C ATOM 1075 OE1 GLN A 65 6.142 -3.796 -8.561 1.00 0.00 O ATOM 1076 NE2 GLN A 65 4.964 -3.626 -10.454 1.00 0.00 N ATOM 0 H GLN A 65 3.640 0.210 -10.534 1.00 0.00 H new ATOM 0 HA GLN A 65 3.094 -2.333 -9.390 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.678 0.091 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.578 -1.376 -7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.663 -1.182 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.629 -1.292 -8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.536 -3.017 -11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.894 -4.639 -10.550 1.00 0.00 H new ATOM 1085 N VAL A 66 1.717 0.316 -7.978 1.00 0.00 N ATOM 1086 CA VAL A 66 0.682 0.721 -7.027 1.00 0.00 C ATOM 1087 C VAL A 66 -0.667 0.119 -7.419 1.00 0.00 C ATOM 1088 O VAL A 66 -1.384 -0.440 -6.583 1.00 0.00 O ATOM 1089 CB VAL A 66 0.558 2.258 -6.925 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.586 2.651 -5.998 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.864 2.852 -6.435 1.00 0.00 C ATOM 0 H VAL A 66 2.129 1.082 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 66 0.979 0.344 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 66 0.339 2.653 -7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.653 3.738 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.522 2.249 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.402 2.248 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.768 3.936 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.102 2.446 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.662 2.602 -7.134 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.987 0.219 -8.703 1.00 0.00 N ATOM 1102 CA LYS A 67 -2.225 -0.324 -9.243 1.00 0.00 C ATOM 1103 C LYS A 67 -2.290 -1.846 -9.059 1.00 0.00 C ATOM 1104 O LYS A 67 -3.324 -2.392 -8.679 1.00 0.00 O ATOM 1105 CB LYS A 67 -2.347 0.097 -10.723 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.184 -0.817 -11.610 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.331 -1.925 -12.215 1.00 0.00 C ATOM 1108 CE LYS A 67 -3.096 -2.745 -13.233 1.00 0.00 C ATOM 1109 NZ LYS A 67 -2.306 -3.917 -13.691 1.00 0.00 N ATOM 0 H LYS A 67 -0.397 0.678 -9.397 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.077 0.080 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.775 1.099 -10.761 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.344 0.162 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.993 -1.255 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.646 -0.233 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.453 -1.487 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.971 -2.579 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.035 -3.086 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.351 -2.120 -14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.858 -4.457 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.422 -3.590 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.084 -4.526 -12.877 1.00 0.00 H new ATOM 1123 N THR A 68 -1.176 -2.515 -9.289 1.00 0.00 N ATOM 1124 CA THR A 68 -1.117 -3.968 -9.192 1.00 0.00 C ATOM 1125 C THR A 68 -1.182 -4.413 -7.730 1.00 0.00 C ATOM 1126 O THR A 68 -1.779 -5.445 -7.405 1.00 0.00 O ATOM 1127 CB THR A 68 0.171 -4.511 -9.855 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.201 -4.132 -11.238 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.259 -6.025 -9.745 1.00 0.00 C ATOM 0 H THR A 68 -0.292 -2.075 -9.546 1.00 0.00 H new ATOM 0 HA THR A 68 -1.978 -4.376 -9.721 1.00 0.00 H new ATOM 0 HB THR A 68 1.024 -4.080 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.613 -3.247 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.176 -6.372 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.264 -6.314 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.600 -6.476 -10.241 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.587 -3.613 -6.851 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.551 -3.921 -5.430 1.00 0.00 C ATOM 1139 C TRP A 69 -1.955 -4.036 -4.850 1.00 0.00 C ATOM 1140 O TRP A 69 -2.320 -5.075 -4.291 1.00 0.00 O ATOM 1141 CB TRP A 69 0.230 -2.842 -4.680 1.00 0.00 C ATOM 1142 CG TRP A 69 1.549 -3.315 -4.155 1.00 0.00 C ATOM 1143 CD1 TRP A 69 2.727 -3.395 -4.839 1.00 0.00 C ATOM 1144 CD2 TRP A 69 1.820 -3.779 -2.830 1.00 0.00 C ATOM 1145 NE1 TRP A 69 3.716 -3.878 -4.017 1.00 0.00 N ATOM 1146 CE2 TRP A 69 3.183 -4.124 -2.778 1.00 0.00 C ATOM 1147 CE3 TRP A 69 1.042 -3.942 -1.683 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 3.783 -4.616 -1.622 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 1.638 -4.426 -0.536 1.00 0.00 C ATOM 1150 CH2 TRP A 69 2.996 -4.761 -0.513 1.00 0.00 C ATOM 0 H TRP A 69 -0.121 -2.741 -7.103 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.053 -4.883 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.396 -1.995 -5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.374 -2.479 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.862 -3.119 -5.874 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.689 -4.029 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.009 -3.694 -1.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.832 -4.874 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 1.046 -4.548 0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.432 -5.142 0.399 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.755 -2.988 -5.012 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.075 -2.963 -4.403 1.00 0.00 C ATOM 1163 C PHE A 70 -5.009 -3.948 -5.101 1.00 0.00 C ATOM 1164 O PHE A 70 -5.881 -4.537 -4.465 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.668 -1.539 -4.387 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.446 -1.147 -5.615 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -4.811 -0.581 -6.704 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.821 -1.333 -5.668 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -5.527 -0.210 -7.826 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.543 -0.963 -6.786 1.00 0.00 C ATOM 1171 CZ PHE A 70 -6.894 -0.401 -7.868 1.00 0.00 C ATOM 0 H PHE A 70 -2.515 -2.157 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.969 -3.276 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.321 -1.446 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.854 -0.827 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.742 -0.427 -6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.332 -1.773 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.017 0.230 -8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.612 -1.113 -6.814 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.454 -0.112 -8.745 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.814 -4.142 -6.408 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.660 -5.061 -7.156 1.00 0.00 C ATOM 1183 C GLN A 71 -5.471 -6.496 -6.679 1.00 0.00 C ATOM 1184 O GLN A 71 -6.441 -7.177 -6.370 1.00 0.00 O ATOM 1185 CB GLN A 71 -5.401 -4.975 -8.661 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.940 -3.707 -9.296 1.00 0.00 C ATOM 1187 CD GLN A 71 -5.842 -3.724 -10.807 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -4.967 -4.369 -11.382 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -6.739 -3.001 -11.459 1.00 0.00 N ATOM 0 H GLN A 71 -4.089 -3.681 -6.958 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.691 -4.761 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.328 -5.034 -8.841 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.854 -5.838 -9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.982 -3.574 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.389 -2.849 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.448 -2.481 -10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.721 -2.964 -12.478 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.222 -6.941 -6.590 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.928 -8.326 -6.231 1.00 0.00 C ATOM 1200 C ASN A 72 -4.352 -8.639 -4.803 1.00 0.00 C ATOM 1201 O ASN A 72 -4.756 -9.766 -4.506 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.444 -8.651 -6.421 1.00 0.00 C ATOM 1203 CG ASN A 72 -2.099 -9.000 -7.859 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.932 -9.524 -8.603 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.867 -8.719 -8.259 1.00 0.00 N ATOM 0 H ASN A 72 -3.398 -6.365 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.509 -8.955 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.846 -7.796 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.173 -9.485 -5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.578 -8.936 -9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.207 -8.285 -7.613 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.272 -7.648 -3.922 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.733 -7.824 -2.552 1.00 0.00 C ATOM 1214 C GLN A 73 -6.227 -8.125 -2.536 1.00 0.00 C ATOM 1215 O GLN A 73 -6.666 -9.127 -1.966 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.430 -6.582 -1.707 1.00 0.00 C ATOM 1217 CG GLN A 73 -2.947 -6.359 -1.450 1.00 0.00 C ATOM 1218 CD GLN A 73 -2.295 -7.516 -0.710 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -2.266 -7.549 0.518 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -1.754 -8.470 -1.455 1.00 0.00 N ATOM 0 H GLN A 73 -3.896 -6.723 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.197 -8.668 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.838 -5.705 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.945 -6.670 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.437 -6.209 -2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.817 -5.445 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.797 -8.409 -2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.294 -9.265 -1.011 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.014 -7.266 -3.183 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.454 -7.480 -3.248 1.00 0.00 C ATOM 1231 C ARG A 74 -8.805 -8.637 -4.187 1.00 0.00 C ATOM 1232 O ARG A 74 -9.920 -9.150 -4.142 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.212 -6.188 -3.618 1.00 0.00 C ATOM 1234 CG ARG A 74 -8.860 -5.561 -4.963 1.00 0.00 C ATOM 1235 CD ARG A 74 -9.617 -6.204 -6.117 1.00 0.00 C ATOM 1236 NE ARG A 74 -9.789 -5.280 -7.239 1.00 0.00 N ATOM 1237 CZ ARG A 74 -9.455 -5.552 -8.499 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -8.881 -6.707 -8.803 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -9.702 -4.670 -9.457 1.00 0.00 N ATOM 0 H ARG A 74 -6.683 -6.429 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.785 -7.762 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.280 -6.404 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.030 -5.449 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.084 -4.495 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.788 -5.657 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.079 -7.090 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.594 -6.538 -5.769 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.193 -4.364 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.693 -7.392 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.627 -6.911 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.148 -3.782 -9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.446 -4.880 -10.422 1.00 0.00 H new ATOM 1253 N MET A 75 -7.855 -9.052 -5.030 1.00 0.00 N ATOM 1254 CA MET A 75 -8.060 -10.220 -5.889 1.00 0.00 C ATOM 1255 C MET A 75 -8.249 -11.465 -5.043 1.00 0.00 C ATOM 1256 O MET A 75 -9.205 -12.212 -5.232 1.00 0.00 O ATOM 1257 CB MET A 75 -6.885 -10.432 -6.848 1.00 0.00 C ATOM 1258 CG MET A 75 -6.936 -9.562 -8.089 1.00 0.00 C ATOM 1259 SD MET A 75 -8.430 -9.829 -9.068 1.00 0.00 S ATOM 1260 CE MET A 75 -8.289 -11.576 -9.452 1.00 0.00 C ATOM 0 H MET A 75 -6.946 -8.602 -5.135 1.00 0.00 H new ATOM 0 HA MET A 75 -8.956 -10.035 -6.482 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.955 -10.233 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.861 -11.479 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.882 -8.514 -7.795 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.061 -9.765 -8.706 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.939 -11.817 -10.293 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.257 -11.809 -9.713 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.585 -12.164 -8.584 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.343 -11.671 -4.094 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.413 -12.835 -3.218 1.00 0.00 C ATOM 1272 C LYS A 76 -8.614 -12.737 -2.289 1.00 0.00 C ATOM 1273 O LYS A 76 -9.270 -13.737 -2.002 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.130 -12.990 -2.390 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.892 -13.304 -3.216 1.00 0.00 C ATOM 1276 CD LYS A 76 -5.115 -14.497 -4.132 1.00 0.00 C ATOM 1277 CE LYS A 76 -3.801 -15.048 -4.660 1.00 0.00 C ATOM 1278 NZ LYS A 76 -3.036 -15.754 -3.597 1.00 0.00 N ATOM 0 H LYS A 76 -6.554 -11.050 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.522 -13.714 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.957 -12.070 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.276 -13.784 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.622 -12.433 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.053 -13.508 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.647 -15.279 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.749 -14.201 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.998 -15.734 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.199 -14.233 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.296 -16.341 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.596 -15.056 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.680 -16.360 -3.050 1.00 0.00 H new