USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=15 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 72 ASN : amide:sc= -0.0705 X(o=-0.14,f=-0.0011) USER MOD Set 1.2: A 75 MET CE :methyl -160:sc= -0.0712 (180deg=0) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -128:sc= 0.208 (180deg=-0.0901) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.216 K(o=0.42,f=-4.5!) USER MOD Set 3.1: A 44 GLN : amide:sc= 2.12 K(o=3.7,f=0.58) USER MOD Set 3.2: A 51 GLN : amide:sc= 1.61 K(o=3.7,f=-4.1!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.569 K(o=0.57,f=-1.2) USER MOD Single : A 35 CYS SG : rot -11:sc= 0.655 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 42 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 166:sc= 0.52 USER MOD Single : A 48 SER OG : rot 180:sc= -0.141 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.164 (180deg=-0.71) USER MOD Single : A 53 GLN : amide:sc= -1.03 K(o=-1,f=-0.011) USER MOD Single : A 56 SER OG : rot 71:sc= -0.105 USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.27) USER MOD Single : A 60 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.25) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0712) USER MOD Single : A 65 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6.8!) USER MOD Single : A 68 THR OG1 : rot 55:sc= 1.19 USER MOD Single : A 73 GLN : amide:sc= -2.61! C(o=-2.6!,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= -0.0808 (180deg=-0.381) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 9.510 1.818 3.334 1.00 0.00 N ATOM 479 CA SER A 30 9.744 2.756 4.412 1.00 0.00 C ATOM 480 C SER A 30 8.508 2.815 5.295 1.00 0.00 C ATOM 481 O SER A 30 7.395 2.560 4.827 1.00 0.00 O ATOM 482 CB SER A 30 10.064 4.143 3.846 1.00 0.00 C ATOM 483 OG SER A 30 10.455 5.042 4.870 1.00 0.00 O ATOM 0 HA SER A 30 10.597 2.426 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.862 4.061 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.189 4.537 3.328 1.00 0.00 H new ATOM 0 HG SER A 30 10.654 5.918 4.478 1.00 0.00 H new ATOM 489 N SER A 31 8.695 3.159 6.561 1.00 0.00 N ATOM 490 CA SER A 31 7.578 3.258 7.486 1.00 0.00 C ATOM 491 C SER A 31 6.604 4.337 7.022 1.00 0.00 C ATOM 492 O SER A 31 5.396 4.219 7.208 1.00 0.00 O ATOM 493 CB SER A 31 8.083 3.559 8.895 1.00 0.00 C ATOM 494 OG SER A 31 9.001 2.565 9.322 1.00 0.00 O ATOM 0 H SER A 31 9.605 3.373 6.969 1.00 0.00 H new ATOM 0 HA SER A 31 7.052 2.304 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.564 4.537 8.913 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.241 3.605 9.586 1.00 0.00 H new ATOM 0 HG SER A 31 9.315 2.776 10.226 1.00 0.00 H new ATOM 500 N THR A 32 7.145 5.374 6.391 1.00 0.00 N ATOM 501 CA THR A 32 6.333 6.452 5.858 1.00 0.00 C ATOM 502 C THR A 32 5.424 5.936 4.744 1.00 0.00 C ATOM 503 O THR A 32 4.229 6.225 4.721 1.00 0.00 O ATOM 504 CB THR A 32 7.225 7.587 5.317 1.00 0.00 C ATOM 505 OG1 THR A 32 8.293 7.845 6.244 1.00 0.00 O ATOM 506 CG2 THR A 32 6.419 8.861 5.097 1.00 0.00 C ATOM 0 H THR A 32 8.147 5.487 6.238 1.00 0.00 H new ATOM 0 HA THR A 32 5.716 6.843 6.667 1.00 0.00 H new ATOM 0 HB THR A 32 7.636 7.272 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.860 8.565 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.074 9.644 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.624 8.669 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.981 9.182 6.042 1.00 0.00 H new ATOM 514 N GLN A 33 5.990 5.143 3.839 1.00 0.00 N ATOM 515 CA GLN A 33 5.226 4.581 2.733 1.00 0.00 C ATOM 516 C GLN A 33 4.154 3.627 3.245 1.00 0.00 C ATOM 517 O GLN A 33 3.001 3.686 2.819 1.00 0.00 O ATOM 518 CB GLN A 33 6.159 3.846 1.769 1.00 0.00 C ATOM 519 CG GLN A 33 7.150 4.760 1.063 1.00 0.00 C ATOM 520 CD GLN A 33 8.262 3.993 0.374 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.660 2.920 0.825 1.00 0.00 O ATOM 522 NE2 GLN A 33 8.770 4.533 -0.724 1.00 0.00 N ATOM 0 H GLN A 33 6.974 4.876 3.851 1.00 0.00 H new ATOM 0 HA GLN A 33 4.737 5.400 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.710 3.084 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.559 3.328 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.620 5.364 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.584 5.449 1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.412 5.425 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.519 4.057 -1.227 1.00 0.00 H new ATOM 531 N LEU A 34 4.545 2.766 4.173 1.00 0.00 N ATOM 532 CA LEU A 34 3.643 1.766 4.729 1.00 0.00 C ATOM 533 C LEU A 34 2.458 2.402 5.456 1.00 0.00 C ATOM 534 O LEU A 34 1.312 2.003 5.235 1.00 0.00 O ATOM 535 CB LEU A 34 4.403 0.834 5.673 1.00 0.00 C ATOM 536 CG LEU A 34 5.451 -0.061 5.008 1.00 0.00 C ATOM 537 CD1 LEU A 34 6.195 -0.881 6.052 1.00 0.00 C ATOM 538 CD2 LEU A 34 4.792 -0.975 3.985 1.00 0.00 C ATOM 0 H LEU A 34 5.488 2.740 4.560 1.00 0.00 H new ATOM 0 HA LEU A 34 3.243 1.189 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.896 1.439 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.682 0.199 6.188 1.00 0.00 H new ATOM 0 HG LEU A 34 6.172 0.575 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.936 -1.511 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.695 -0.211 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.487 -1.509 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.549 -1.606 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.052 -1.602 4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.302 -0.372 3.220 1.00 0.00 H new ATOM 550 N CYS A 35 2.721 3.394 6.304 1.00 0.00 N ATOM 551 CA CYS A 35 1.654 4.007 7.091 1.00 0.00 C ATOM 552 C CYS A 35 0.643 4.710 6.188 1.00 0.00 C ATOM 553 O CYS A 35 -0.558 4.690 6.457 1.00 0.00 O ATOM 554 CB CYS A 35 2.216 4.977 8.136 1.00 0.00 C ATOM 555 SG CYS A 35 3.126 6.390 7.462 1.00 0.00 S ATOM 0 H CYS A 35 3.649 3.786 6.463 1.00 0.00 H new ATOM 0 HA CYS A 35 1.138 3.208 7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.391 5.352 8.742 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.877 4.424 8.804 1.00 0.00 H new ATOM 0 HG CYS A 35 3.340 6.203 6.193 1.00 0.00 H new ATOM 561 N VAL A 36 1.131 5.305 5.099 1.00 0.00 N ATOM 562 CA VAL A 36 0.257 5.971 4.140 1.00 0.00 C ATOM 563 C VAL A 36 -0.609 4.945 3.413 1.00 0.00 C ATOM 564 O VAL A 36 -1.812 5.139 3.245 1.00 0.00 O ATOM 565 CB VAL A 36 1.062 6.802 3.114 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.151 7.399 2.054 1.00 0.00 C ATOM 567 CG2 VAL A 36 1.834 7.906 3.813 1.00 0.00 C ATOM 0 H VAL A 36 2.123 5.338 4.862 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.382 6.655 4.698 1.00 0.00 H new ATOM 0 HB VAL A 36 1.766 6.131 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.746 7.978 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.365 6.598 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.582 8.050 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.395 8.481 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.138 8.564 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.525 7.467 4.533 1.00 0.00 H new ATOM 577 N LEU A 37 0.004 3.842 3.001 1.00 0.00 N ATOM 578 CA LEU A 37 -0.729 2.763 2.346 1.00 0.00 C ATOM 579 C LEU A 37 -1.825 2.228 3.260 1.00 0.00 C ATOM 580 O LEU A 37 -2.956 1.998 2.830 1.00 0.00 O ATOM 581 CB LEU A 37 0.217 1.625 1.951 1.00 0.00 C ATOM 582 CG LEU A 37 1.217 1.959 0.845 1.00 0.00 C ATOM 583 CD1 LEU A 37 2.158 0.792 0.614 1.00 0.00 C ATOM 584 CD2 LEU A 37 0.490 2.308 -0.443 1.00 0.00 C ATOM 0 H LEU A 37 1.004 3.670 3.108 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.186 3.168 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.771 1.312 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.382 0.772 1.631 1.00 0.00 H new ATOM 0 HG LEU A 37 1.801 2.824 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.864 1.045 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.704 0.577 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.583 -0.086 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.218 2.543 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.117 1.460 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.153 3.172 -0.275 1.00 0.00 H new ATOM 596 N ASN A 38 -1.480 2.057 4.525 1.00 0.00 N ATOM 597 CA ASN A 38 -2.398 1.506 5.506 1.00 0.00 C ATOM 598 C ASN A 38 -3.560 2.445 5.759 1.00 0.00 C ATOM 599 O ASN A 38 -4.716 2.050 5.630 1.00 0.00 O ATOM 600 CB ASN A 38 -1.665 1.217 6.818 1.00 0.00 C ATOM 601 CG ASN A 38 -2.576 0.619 7.877 1.00 0.00 C ATOM 602 OD1 ASN A 38 -3.189 1.338 8.667 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.667 -0.701 7.905 1.00 0.00 N ATOM 0 H ASN A 38 -0.561 2.295 4.899 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.794 0.573 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.839 0.532 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.230 2.141 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.261 -1.157 8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.143 -1.263 7.234 1.00 0.00 H new ATOM 610 N ASP A 39 -3.260 3.693 6.089 1.00 0.00 N ATOM 611 CA ASP A 39 -4.301 4.619 6.495 1.00 0.00 C ATOM 612 C ASP A 39 -5.251 4.924 5.338 1.00 0.00 C ATOM 613 O ASP A 39 -6.456 5.029 5.542 1.00 0.00 O ATOM 614 CB ASP A 39 -3.710 5.905 7.084 1.00 0.00 C ATOM 615 CG ASP A 39 -3.707 7.070 6.124 1.00 0.00 C ATOM 616 OD1 ASP A 39 -2.823 7.124 5.258 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.605 7.938 6.233 1.00 0.00 O ATOM 0 H ASP A 39 -2.317 4.082 6.083 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.881 4.136 7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.277 6.180 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.687 5.709 7.406 1.00 0.00 H new ATOM 622 N ARG A 40 -4.711 5.051 4.127 1.00 0.00 N ATOM 623 CA ARG A 40 -5.542 5.193 2.929 1.00 0.00 C ATOM 624 C ARG A 40 -6.589 4.086 2.847 1.00 0.00 C ATOM 625 O ARG A 40 -7.780 4.360 2.703 1.00 0.00 O ATOM 626 CB ARG A 40 -4.693 5.147 1.657 1.00 0.00 C ATOM 627 CG ARG A 40 -4.394 6.505 1.041 1.00 0.00 C ATOM 628 CD ARG A 40 -3.311 7.258 1.795 1.00 0.00 C ATOM 629 NE ARG A 40 -3.797 7.913 3.007 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.261 9.159 3.061 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.335 9.899 1.956 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.633 9.671 4.227 1.00 0.00 N ATOM 0 H ARG A 40 -3.707 5.059 3.948 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.037 6.161 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.749 4.651 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.206 4.533 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.085 6.370 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.305 7.103 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.514 6.564 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.874 8.008 1.136 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.779 7.377 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.035 9.511 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.692 10.853 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.563 9.110 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.989 10.626 4.274 1.00 0.00 H new ATOM 646 N PHE A 41 -6.136 2.841 2.957 1.00 0.00 N ATOM 647 CA PHE A 41 -7.026 1.683 2.867 1.00 0.00 C ATOM 648 C PHE A 41 -7.908 1.552 4.108 1.00 0.00 C ATOM 649 O PHE A 41 -8.944 0.886 4.078 1.00 0.00 O ATOM 650 CB PHE A 41 -6.219 0.405 2.640 1.00 0.00 C ATOM 651 CG PHE A 41 -5.736 0.294 1.229 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.626 0.470 0.188 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.407 0.039 0.939 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.207 0.392 -1.116 1.00 0.00 C ATOM 655 CE2 PHE A 41 -3.979 -0.045 -0.371 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.881 0.134 -1.402 1.00 0.00 C ATOM 0 H PHE A 41 -5.155 2.605 3.109 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.685 1.837 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.366 0.389 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.835 -0.461 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.665 0.672 0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.699 -0.095 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.915 0.533 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.941 -0.250 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.550 0.072 -2.428 1.00 0.00 H new ATOM 666 N GLN A 42 -7.479 2.158 5.204 1.00 0.00 N ATOM 667 CA GLN A 42 -8.292 2.185 6.417 1.00 0.00 C ATOM 668 C GLN A 42 -9.379 3.263 6.346 1.00 0.00 C ATOM 669 O GLN A 42 -10.420 3.145 6.993 1.00 0.00 O ATOM 670 CB GLN A 42 -7.416 2.409 7.650 1.00 0.00 C ATOM 671 CG GLN A 42 -6.524 1.227 7.990 1.00 0.00 C ATOM 672 CD GLN A 42 -7.316 -0.011 8.366 1.00 0.00 C ATOM 673 OE1 GLN A 42 -7.663 -0.828 7.515 1.00 0.00 O ATOM 674 NE2 GLN A 42 -7.602 -0.158 9.649 1.00 0.00 N ATOM 0 H GLN A 42 -6.581 2.635 5.282 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.782 1.215 6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.792 3.288 7.487 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.056 2.627 8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.886 1.000 7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.867 1.498 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.295 0.543 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.129 -0.973 9.964 1.00 0.00 H new ATOM 683 N ARG A 43 -9.131 4.321 5.579 1.00 0.00 N ATOM 684 CA ARG A 43 -10.094 5.411 5.440 1.00 0.00 C ATOM 685 C ARG A 43 -11.043 5.163 4.269 1.00 0.00 C ATOM 686 O ARG A 43 -12.232 5.483 4.341 1.00 0.00 O ATOM 687 CB ARG A 43 -9.362 6.739 5.240 1.00 0.00 C ATOM 688 CG ARG A 43 -8.445 7.114 6.394 1.00 0.00 C ATOM 689 CD ARG A 43 -9.223 7.566 7.619 1.00 0.00 C ATOM 690 NE ARG A 43 -9.903 8.843 7.402 1.00 0.00 N ATOM 691 CZ ARG A 43 -10.347 9.626 8.384 1.00 0.00 C ATOM 692 NH1 ARG A 43 -10.163 9.287 9.655 1.00 0.00 N ATOM 693 NH2 ARG A 43 -10.957 10.764 8.094 1.00 0.00 N ATOM 0 H ARG A 43 -8.272 4.447 5.044 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.683 5.457 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.774 6.685 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.098 7.531 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.823 6.258 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.772 7.911 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.958 6.805 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.543 7.658 8.466 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.046 9.153 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.678 8.420 9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.507 9.894 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.086 11.040 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.298 11.365 8.844 1.00 0.00 H new ATOM 707 N GLN A 44 -10.511 4.605 3.192 1.00 0.00 N ATOM 708 CA GLN A 44 -11.300 4.339 1.999 1.00 0.00 C ATOM 709 C GLN A 44 -11.101 2.893 1.564 1.00 0.00 C ATOM 710 O GLN A 44 -10.084 2.284 1.881 1.00 0.00 O ATOM 711 CB GLN A 44 -10.898 5.305 0.878 1.00 0.00 C ATOM 712 CG GLN A 44 -11.825 5.275 -0.327 1.00 0.00 C ATOM 713 CD GLN A 44 -11.489 6.344 -1.348 1.00 0.00 C ATOM 714 OE1 GLN A 44 -12.010 7.457 -1.293 1.00 0.00 O ATOM 715 NE2 GLN A 44 -10.617 6.013 -2.283 1.00 0.00 N ATOM 0 H GLN A 44 -9.532 4.327 3.120 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.356 4.493 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.872 6.319 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.886 5.065 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.768 4.295 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.854 5.408 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.209 5.078 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.352 6.692 -2.996 1.00 0.00 H new ATOM 724 N LYS A 45 -12.075 2.351 0.842 1.00 0.00 N ATOM 725 CA LYS A 45 -12.045 0.947 0.450 1.00 0.00 C ATOM 726 C LYS A 45 -10.849 0.654 -0.451 1.00 0.00 C ATOM 727 O LYS A 45 -10.110 -0.305 -0.226 1.00 0.00 O ATOM 728 CB LYS A 45 -13.337 0.563 -0.279 1.00 0.00 C ATOM 729 CG LYS A 45 -14.609 0.904 0.481 1.00 0.00 C ATOM 730 CD LYS A 45 -14.653 0.236 1.847 1.00 0.00 C ATOM 731 CE LYS A 45 -15.985 0.480 2.538 1.00 0.00 C ATOM 732 NZ LYS A 45 -15.995 -0.033 3.932 1.00 0.00 N ATOM 0 H LYS A 45 -12.895 2.862 0.516 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.954 0.353 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.359 1.067 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.323 -0.508 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.679 1.985 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.475 0.592 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.490 -0.836 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.843 0.619 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.199 1.549 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.781 -0.001 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.922 0.155 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.817 -1.058 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.253 0.444 4.483 1.00 0.00 H new ATOM 746 N TYR A 46 -10.672 1.484 -1.474 1.00 0.00 N ATOM 747 CA TYR A 46 -9.593 1.304 -2.439 1.00 0.00 C ATOM 748 C TYR A 46 -9.044 2.653 -2.883 1.00 0.00 C ATOM 749 O TYR A 46 -9.304 3.674 -2.252 1.00 0.00 O ATOM 750 CB TYR A 46 -10.085 0.531 -3.666 1.00 0.00 C ATOM 751 CG TYR A 46 -10.547 -0.877 -3.369 1.00 0.00 C ATOM 752 CD1 TYR A 46 -9.646 -1.851 -2.963 1.00 0.00 C ATOM 753 CD2 TYR A 46 -11.884 -1.228 -3.498 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.065 -3.141 -2.695 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.311 -2.513 -3.234 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.399 -3.465 -2.832 1.00 0.00 C ATOM 757 OH TYR A 46 -11.824 -4.748 -2.581 1.00 0.00 O ATOM 0 H TYR A 46 -11.266 2.293 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.802 0.734 -1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.907 1.082 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.282 0.490 -4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.602 -1.598 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.601 -0.483 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.353 -3.890 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.354 -2.772 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.800 -4.759 -2.499 1.00 0.00 H new ATOM 767 N LEU A 47 -8.282 2.650 -3.970 1.00 0.00 N ATOM 768 CA LEU A 47 -7.725 3.871 -4.518 1.00 0.00 C ATOM 769 C LEU A 47 -8.266 4.121 -5.917 1.00 0.00 C ATOM 770 O LEU A 47 -8.423 3.188 -6.707 1.00 0.00 O ATOM 771 CB LEU A 47 -6.201 3.782 -4.556 1.00 0.00 C ATOM 772 CG LEU A 47 -5.523 3.708 -3.189 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.031 3.472 -3.351 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.773 4.983 -2.397 1.00 0.00 C ATOM 0 H LEU A 47 -8.037 1.807 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.017 4.703 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.918 2.902 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.815 4.650 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.951 2.871 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.562 3.422 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.866 2.533 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.593 4.291 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.282 4.911 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.371 5.836 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.845 5.117 -2.252 1.00 0.00 H new ATOM 786 N SER A 48 -8.567 5.375 -6.209 1.00 0.00 N ATOM 787 CA SER A 48 -9.044 5.769 -7.517 1.00 0.00 C ATOM 788 C SER A 48 -7.876 5.914 -8.484 1.00 0.00 C ATOM 789 O SER A 48 -6.712 5.790 -8.098 1.00 0.00 O ATOM 790 CB SER A 48 -9.821 7.086 -7.414 1.00 0.00 C ATOM 791 OG SER A 48 -10.386 7.462 -8.659 1.00 0.00 O ATOM 0 H SER A 48 -8.487 6.145 -5.545 1.00 0.00 H new ATOM 0 HA SER A 48 -9.712 4.996 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.612 6.984 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.155 7.875 -7.064 1.00 0.00 H new ATOM 0 HG SER A 48 -10.875 8.305 -8.555 1.00 0.00 H new ATOM 797 N LEU A 49 -8.200 6.207 -9.728 1.00 0.00 N ATOM 798 CA LEU A 49 -7.205 6.329 -10.784 1.00 0.00 C ATOM 799 C LEU A 49 -6.328 7.543 -10.502 1.00 0.00 C ATOM 800 O LEU A 49 -5.106 7.501 -10.657 1.00 0.00 O ATOM 801 CB LEU A 49 -7.910 6.452 -12.148 1.00 0.00 C ATOM 802 CG LEU A 49 -7.031 6.268 -13.398 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.207 7.511 -13.691 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.121 5.061 -13.238 1.00 0.00 C ATOM 0 H LEU A 49 -9.158 6.368 -10.039 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.572 5.442 -10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.712 5.715 -12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.378 7.435 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.697 6.101 -14.245 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.599 7.343 -14.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.873 8.357 -13.861 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.557 7.725 -12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.507 4.947 -14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.476 5.204 -12.371 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.726 4.165 -13.097 1.00 0.00 H new ATOM 816 N GLN A 50 -6.962 8.610 -10.046 1.00 0.00 N ATOM 817 CA GLN A 50 -6.258 9.825 -9.693 1.00 0.00 C ATOM 818 C GLN A 50 -5.381 9.593 -8.469 1.00 0.00 C ATOM 819 O GLN A 50 -4.276 10.122 -8.372 1.00 0.00 O ATOM 820 CB GLN A 50 -7.263 10.935 -9.408 1.00 0.00 C ATOM 821 CG GLN A 50 -7.976 11.457 -10.645 1.00 0.00 C ATOM 822 CD GLN A 50 -8.996 12.529 -10.318 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.856 13.256 -9.335 1.00 0.00 O ATOM 824 NE2 GLN A 50 -10.014 12.650 -11.152 1.00 0.00 N ATOM 0 H GLN A 50 -7.972 8.656 -9.912 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.621 10.119 -10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.006 10.565 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.746 11.763 -8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.241 11.860 -11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.473 10.629 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.092 12.026 -11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.722 13.367 -10.992 1.00 0.00 H new ATOM 833 N GLN A 51 -5.881 8.778 -7.550 1.00 0.00 N ATOM 834 CA GLN A 51 -5.208 8.542 -6.288 1.00 0.00 C ATOM 835 C GLN A 51 -4.000 7.630 -6.461 1.00 0.00 C ATOM 836 O GLN A 51 -2.951 7.881 -5.884 1.00 0.00 O ATOM 837 CB GLN A 51 -6.182 7.932 -5.283 1.00 0.00 C ATOM 838 CG GLN A 51 -7.441 8.758 -5.084 1.00 0.00 C ATOM 839 CD GLN A 51 -8.337 8.202 -3.998 1.00 0.00 C ATOM 840 OE1 GLN A 51 -9.185 7.352 -4.258 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.167 8.688 -2.781 1.00 0.00 N ATOM 0 H GLN A 51 -6.757 8.268 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.853 9.502 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.461 6.933 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.677 7.816 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.163 9.782 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.996 8.800 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.450 9.393 -2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.752 8.358 -2.014 1.00 0.00 H new ATOM 850 N MET A 52 -4.144 6.577 -7.260 1.00 0.00 N ATOM 851 CA MET A 52 -3.067 5.604 -7.429 1.00 0.00 C ATOM 852 C MET A 52 -1.847 6.227 -8.113 1.00 0.00 C ATOM 853 O MET A 52 -0.712 6.002 -7.688 1.00 0.00 O ATOM 854 CB MET A 52 -3.551 4.366 -8.201 1.00 0.00 C ATOM 855 CG MET A 52 -4.035 4.650 -9.615 1.00 0.00 C ATOM 856 SD MET A 52 -4.576 3.161 -10.479 1.00 0.00 S ATOM 857 CE MET A 52 -5.911 2.615 -9.418 1.00 0.00 C ATOM 0 H MET A 52 -4.988 6.375 -7.797 1.00 0.00 H new ATOM 0 HA MET A 52 -2.762 5.284 -6.433 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.737 3.642 -8.248 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.361 3.899 -7.641 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.859 5.362 -9.576 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.232 5.122 -10.181 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.524 1.887 -9.949 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.498 2.155 -8.520 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.526 3.470 -9.137 1.00 0.00 H new ATOM 867 N GLN A 53 -2.071 7.029 -9.150 1.00 0.00 N ATOM 868 CA GLN A 53 -0.959 7.647 -9.863 1.00 0.00 C ATOM 869 C GLN A 53 -0.327 8.755 -9.019 1.00 0.00 C ATOM 870 O GLN A 53 0.895 8.930 -9.013 1.00 0.00 O ATOM 871 CB GLN A 53 -1.406 8.179 -11.231 1.00 0.00 C ATOM 872 CG GLN A 53 -2.438 9.293 -11.173 1.00 0.00 C ATOM 873 CD GLN A 53 -2.881 9.752 -12.551 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.204 10.923 -12.751 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.922 8.834 -13.506 1.00 0.00 N ATOM 0 H GLN A 53 -2.996 7.263 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.202 6.882 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.530 8.542 -11.769 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.816 7.352 -11.811 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.307 8.949 -10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.022 10.141 -10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.646 7.873 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.229 9.088 -14.445 1.00 0.00 H new ATOM 884 N GLU A 54 -1.159 9.478 -8.274 1.00 0.00 N ATOM 885 CA GLU A 54 -0.665 10.534 -7.406 1.00 0.00 C ATOM 886 C GLU A 54 0.102 9.929 -6.239 1.00 0.00 C ATOM 887 O GLU A 54 1.168 10.410 -5.877 1.00 0.00 O ATOM 888 CB GLU A 54 -1.816 11.397 -6.889 1.00 0.00 C ATOM 889 CG GLU A 54 -1.355 12.676 -6.210 1.00 0.00 C ATOM 890 CD GLU A 54 -0.675 13.628 -7.173 1.00 0.00 C ATOM 891 OE1 GLU A 54 0.532 13.455 -7.442 1.00 0.00 O ATOM 892 OE2 GLU A 54 -1.352 14.550 -7.676 1.00 0.00 O ATOM 0 H GLU A 54 -2.171 9.351 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 54 0.005 11.171 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.471 11.653 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.409 10.814 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.213 13.173 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.667 12.428 -5.402 1.00 0.00 H new ATOM 899 N LEU A 55 -0.435 8.856 -5.669 1.00 0.00 N ATOM 900 CA LEU A 55 0.199 8.188 -4.539 1.00 0.00 C ATOM 901 C LEU A 55 1.583 7.687 -4.922 1.00 0.00 C ATOM 902 O LEU A 55 2.507 7.709 -4.109 1.00 0.00 O ATOM 903 CB LEU A 55 -0.661 7.028 -4.037 1.00 0.00 C ATOM 904 CG LEU A 55 -0.177 6.380 -2.738 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.190 7.392 -1.601 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.041 5.181 -2.388 1.00 0.00 C ATOM 0 H LEU A 55 -1.310 8.429 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 55 0.300 8.915 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.679 7.388 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.703 6.264 -4.813 1.00 0.00 H new ATOM 0 HG LEU A 55 0.847 6.038 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.157 6.914 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.468 8.225 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.205 7.762 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.683 4.732 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.075 5.502 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.987 4.446 -3.192 1.00 0.00 H new ATOM 918 N SER A 56 1.716 7.241 -6.163 1.00 0.00 N ATOM 919 CA SER A 56 3.014 6.859 -6.698 1.00 0.00 C ATOM 920 C SER A 56 3.988 8.027 -6.572 1.00 0.00 C ATOM 921 O SER A 56 5.109 7.872 -6.084 1.00 0.00 O ATOM 922 CB SER A 56 2.886 6.448 -8.170 1.00 0.00 C ATOM 923 OG SER A 56 1.902 5.442 -8.345 1.00 0.00 O ATOM 0 H SER A 56 0.941 7.135 -6.818 1.00 0.00 H new ATOM 0 HA SER A 56 3.391 6.010 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.627 7.320 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.848 6.085 -8.532 1.00 0.00 H new ATOM 0 HG SER A 56 1.012 5.828 -8.207 1.00 0.00 H new ATOM 929 N ASN A 57 3.529 9.198 -6.997 1.00 0.00 N ATOM 930 CA ASN A 57 4.306 10.430 -6.895 1.00 0.00 C ATOM 931 C ASN A 57 4.653 10.747 -5.438 1.00 0.00 C ATOM 932 O ASN A 57 5.783 11.130 -5.128 1.00 0.00 O ATOM 933 CB ASN A 57 3.503 11.582 -7.514 1.00 0.00 C ATOM 934 CG ASN A 57 4.134 12.949 -7.310 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.356 13.091 -7.266 1.00 0.00 O ATOM 936 ND2 ASN A 57 3.294 13.964 -7.181 1.00 0.00 N ATOM 0 H ASN A 57 2.610 9.322 -7.421 1.00 0.00 H new ATOM 0 HA ASN A 57 5.243 10.301 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.390 11.400 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.502 11.587 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.653 14.908 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.288 13.802 -7.224 1.00 0.00 H new ATOM 943 N ILE A 58 3.689 10.548 -4.547 1.00 0.00 N ATOM 944 CA ILE A 58 3.841 10.911 -3.145 1.00 0.00 C ATOM 945 C ILE A 58 4.851 10.013 -2.446 1.00 0.00 C ATOM 946 O ILE A 58 5.726 10.488 -1.725 1.00 0.00 O ATOM 947 CB ILE A 58 2.493 10.814 -2.403 1.00 0.00 C ATOM 948 CG1 ILE A 58 1.418 11.592 -3.162 1.00 0.00 C ATOM 949 CG2 ILE A 58 2.629 11.336 -0.979 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.050 11.539 -2.516 1.00 0.00 C ATOM 0 H ILE A 58 2.786 10.133 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 58 4.200 11.940 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 58 2.195 9.767 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.729 12.633 -3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.346 11.198 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.668 11.260 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.371 10.744 -0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.946 12.379 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.657 12.114 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.284 10.503 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.105 11.961 -1.513 1.00 0.00 H new ATOM 962 N LEU A 59 4.734 8.713 -2.673 1.00 0.00 N ATOM 963 CA LEU A 59 5.582 7.756 -1.985 1.00 0.00 C ATOM 964 C LEU A 59 6.881 7.525 -2.746 1.00 0.00 C ATOM 965 O LEU A 59 7.701 6.694 -2.348 1.00 0.00 O ATOM 966 CB LEU A 59 4.842 6.434 -1.780 1.00 0.00 C ATOM 967 CG LEU A 59 3.565 6.530 -0.943 1.00 0.00 C ATOM 968 CD1 LEU A 59 2.948 5.155 -0.748 1.00 0.00 C ATOM 969 CD2 LEU A 59 3.853 7.187 0.401 1.00 0.00 C ATOM 0 H LEU A 59 4.065 8.301 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 59 5.832 8.171 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.588 6.022 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.519 5.726 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 59 2.849 7.152 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.041 5.245 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.702 4.726 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.658 4.507 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.932 7.246 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.588 6.594 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.245 8.191 0.239 1.00 0.00 H new ATOM 981 N ASN A 60 7.056 8.270 -3.839 1.00 0.00 N ATOM 982 CA ASN A 60 8.245 8.162 -4.686 1.00 0.00 C ATOM 983 C ASN A 60 8.349 6.744 -5.257 1.00 0.00 C ATOM 984 O ASN A 60 9.439 6.234 -5.520 1.00 0.00 O ATOM 985 CB ASN A 60 9.507 8.533 -3.891 1.00 0.00 C ATOM 986 CG ASN A 60 10.708 8.809 -4.778 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.849 8.551 -4.392 1.00 0.00 O ATOM 988 ND2 ASN A 60 10.467 9.360 -5.960 1.00 0.00 N ATOM 0 H ASN A 60 6.380 8.963 -4.161 1.00 0.00 H new ATOM 0 HA ASN A 60 8.157 8.863 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.301 9.414 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.748 7.722 -3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.241 9.585 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.508 9.559 -6.244 1.00 0.00 H new ATOM 995 N LEU A 61 7.191 6.136 -5.478 1.00 0.00 N ATOM 996 CA LEU A 61 7.109 4.774 -5.982 1.00 0.00 C ATOM 997 C LEU A 61 6.613 4.774 -7.419 1.00 0.00 C ATOM 998 O LEU A 61 6.403 5.831 -8.015 1.00 0.00 O ATOM 999 CB LEU A 61 6.177 3.927 -5.105 1.00 0.00 C ATOM 1000 CG LEU A 61 6.674 3.675 -3.680 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.641 2.891 -2.886 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.005 2.937 -3.706 1.00 0.00 C ATOM 0 H LEU A 61 6.284 6.573 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 61 8.107 4.337 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.206 4.420 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.020 2.965 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 61 6.823 4.637 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.011 2.721 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.710 3.457 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.460 1.932 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.346 2.765 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.881 1.980 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.743 3.537 -4.239 1.00 0.00 H new ATOM 1014 N SER A 62 6.430 3.590 -7.969 1.00 0.00 N ATOM 1015 CA SER A 62 6.005 3.447 -9.346 1.00 0.00 C ATOM 1016 C SER A 62 4.504 3.206 -9.429 1.00 0.00 C ATOM 1017 O SER A 62 3.919 2.567 -8.552 1.00 0.00 O ATOM 1018 CB SER A 62 6.764 2.294 -9.999 1.00 0.00 C ATOM 1019 OG SER A 62 6.255 2.001 -11.289 1.00 0.00 O ATOM 0 H SER A 62 6.571 2.707 -7.478 1.00 0.00 H new ATOM 0 HA SER A 62 6.227 4.372 -9.878 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.821 2.549 -10.073 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.693 1.407 -9.369 1.00 0.00 H new ATOM 0 HG SER A 62 6.763 1.260 -11.681 1.00 0.00 H new ATOM 1025 N TYR A 63 3.895 3.720 -10.492 1.00 0.00 N ATOM 1026 CA TYR A 63 2.479 3.513 -10.764 1.00 0.00 C ATOM 1027 C TYR A 63 2.173 2.027 -10.867 1.00 0.00 C ATOM 1028 O TYR A 63 1.109 1.571 -10.456 1.00 0.00 O ATOM 1029 CB TYR A 63 2.090 4.229 -12.065 1.00 0.00 C ATOM 1030 CG TYR A 63 0.699 3.906 -12.565 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.424 4.462 -11.968 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.512 3.042 -13.638 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -1.695 4.165 -12.426 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -0.753 2.742 -14.100 1.00 0.00 C ATOM 1035 CZ TYR A 63 -1.853 3.305 -13.493 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.113 3.005 -13.954 1.00 0.00 O ATOM 0 H TYR A 63 4.371 4.292 -11.190 1.00 0.00 H new ATOM 0 HA TYR A 63 1.896 3.929 -9.943 1.00 0.00 H new ATOM 0 HB2 TYR A 63 2.166 5.305 -11.910 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.811 3.967 -12.839 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.304 5.137 -11.133 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.372 2.598 -14.118 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.560 4.604 -11.951 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.880 2.068 -14.934 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.046 2.386 -14.711 1.00 0.00 H new ATOM 1046 N LYS A 64 3.130 1.276 -11.397 1.00 0.00 N ATOM 1047 CA LYS A 64 2.991 -0.159 -11.530 1.00 0.00 C ATOM 1048 C LYS A 64 2.897 -0.798 -10.156 1.00 0.00 C ATOM 1049 O LYS A 64 2.048 -1.652 -9.913 1.00 0.00 O ATOM 1050 CB LYS A 64 4.184 -0.733 -12.297 1.00 0.00 C ATOM 1051 CG LYS A 64 4.281 -0.243 -13.731 1.00 0.00 C ATOM 1052 CD LYS A 64 5.494 -0.833 -14.431 1.00 0.00 C ATOM 1053 CE LYS A 64 5.545 -0.453 -15.902 1.00 0.00 C ATOM 1054 NZ LYS A 64 5.597 1.019 -16.101 1.00 0.00 N ATOM 0 H LYS A 64 4.016 1.646 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 64 2.079 -0.378 -12.085 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.102 -0.473 -11.771 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.115 -1.821 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.376 -0.516 -14.274 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.344 0.845 -13.743 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.402 -0.488 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.474 -1.919 -14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.420 -0.911 -16.364 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.669 -0.856 -16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.767 1.228 -17.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.693 1.441 -15.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.368 1.420 -15.529 1.00 0.00 H new ATOM 1068 N GLN A 65 3.752 -0.344 -9.253 1.00 0.00 N ATOM 1069 CA GLN A 65 3.787 -0.865 -7.898 1.00 0.00 C ATOM 1070 C GLN A 65 2.524 -0.484 -7.135 1.00 0.00 C ATOM 1071 O GLN A 65 1.952 -1.309 -6.422 1.00 0.00 O ATOM 1072 CB GLN A 65 5.030 -0.353 -7.168 1.00 0.00 C ATOM 1073 CG GLN A 65 6.338 -0.864 -7.762 1.00 0.00 C ATOM 1074 CD GLN A 65 6.512 -2.370 -7.619 1.00 0.00 C ATOM 1075 OE1 GLN A 65 5.541 -3.129 -7.583 1.00 0.00 O ATOM 1076 NE2 GLN A 65 7.756 -2.816 -7.545 1.00 0.00 N ATOM 0 H GLN A 65 4.436 0.390 -9.438 1.00 0.00 H new ATOM 0 HA GLN A 65 3.833 -1.953 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.031 0.737 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.975 -0.651 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.378 -0.598 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.173 -0.360 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.536 -2.160 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.935 -3.816 -7.455 1.00 0.00 H new ATOM 1085 N VAL A 66 2.073 0.752 -7.306 1.00 0.00 N ATOM 1086 CA VAL A 66 0.881 1.214 -6.600 1.00 0.00 C ATOM 1087 C VAL A 66 -0.378 0.545 -7.164 1.00 0.00 C ATOM 1088 O VAL A 66 -1.265 0.134 -6.410 1.00 0.00 O ATOM 1089 CB VAL A 66 0.741 2.754 -6.640 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.556 3.200 -5.978 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.932 3.404 -5.953 1.00 0.00 C ATOM 0 H VAL A 66 2.505 1.445 -7.917 1.00 0.00 H new ATOM 0 HA VAL A 66 0.995 0.925 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 66 0.716 3.069 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.631 4.287 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.403 2.758 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.564 2.875 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.824 4.488 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.977 3.076 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.850 3.115 -6.465 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.436 0.409 -8.489 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.559 -0.264 -9.139 1.00 0.00 C ATOM 1103 C LYS A 67 -1.636 -1.723 -8.704 1.00 0.00 C ATOM 1104 O LYS A 67 -2.711 -2.237 -8.402 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.422 -0.194 -10.664 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.564 -0.873 -11.413 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.327 -0.894 -12.917 1.00 0.00 C ATOM 1108 CE LYS A 67 -1.174 -1.816 -13.295 1.00 0.00 C ATOM 1109 NZ LYS A 67 -1.502 -3.252 -13.076 1.00 0.00 N ATOM 0 H LYS A 67 0.278 0.754 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.474 0.247 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.371 0.852 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.480 -0.658 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.679 -1.894 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.497 -0.352 -11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.235 -1.221 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.114 0.117 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.916 -1.660 -14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.294 -1.553 -12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.756 -3.695 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.412 -3.328 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.567 -3.737 -13.994 1.00 0.00 H new ATOM 1123 N THR A 68 -0.483 -2.375 -8.669 1.00 0.00 N ATOM 1124 CA THR A 68 -0.400 -3.783 -8.306 1.00 0.00 C ATOM 1125 C THR A 68 -0.914 -4.022 -6.885 1.00 0.00 C ATOM 1126 O THR A 68 -1.591 -5.017 -6.627 1.00 0.00 O ATOM 1127 CB THR A 68 1.048 -4.301 -8.440 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.482 -4.170 -9.799 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.164 -5.756 -8.012 1.00 0.00 C ATOM 0 H THR A 68 0.416 -1.947 -8.890 1.00 0.00 H new ATOM 0 HA THR A 68 -1.035 -4.337 -8.997 1.00 0.00 H new ATOM 0 HB THR A 68 1.680 -3.702 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.364 -3.242 -10.092 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.197 -6.086 -8.120 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.859 -5.854 -6.970 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.519 -6.372 -8.639 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.613 -3.096 -5.977 1.00 0.00 N ATOM 1138 CA TRP A 69 -1.062 -3.206 -4.593 1.00 0.00 C ATOM 1139 C TRP A 69 -2.591 -3.221 -4.530 1.00 0.00 C ATOM 1140 O TRP A 69 -3.198 -4.113 -3.930 1.00 0.00 O ATOM 1141 CB TRP A 69 -0.513 -2.040 -3.771 1.00 0.00 C ATOM 1142 CG TRP A 69 0.089 -2.455 -2.463 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.419 -2.590 -2.185 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.608 -2.793 -1.255 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.592 -2.987 -0.882 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.364 -3.118 -0.289 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.957 -2.851 -0.896 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 0.028 -3.493 1.011 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.290 -3.225 0.394 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.300 -3.541 1.333 1.00 0.00 C ATOM 0 H TRP A 69 -0.060 -2.262 -6.176 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.687 -4.141 -4.176 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.242 -1.517 -4.358 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.318 -1.330 -3.581 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.219 -2.411 -2.888 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.490 -3.157 -0.429 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -2.727 -2.608 -1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.789 -3.737 1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.330 -3.274 0.681 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.592 -3.829 2.332 1.00 0.00 H new ATOM 1161 N PHE A 70 -3.200 -2.235 -5.180 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.654 -2.124 -5.251 1.00 0.00 C ATOM 1163 C PHE A 70 -5.268 -3.335 -5.954 1.00 0.00 C ATOM 1164 O PHE A 70 -6.300 -3.859 -5.529 1.00 0.00 O ATOM 1165 CB PHE A 70 -5.032 -0.817 -5.976 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.294 -0.890 -6.794 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -7.540 -0.755 -6.202 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.227 -1.091 -8.165 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.694 -0.823 -6.963 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.375 -1.161 -8.928 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.610 -1.027 -8.329 1.00 0.00 C ATOM 0 H PHE A 70 -2.702 -1.492 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.055 -2.101 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.142 -0.026 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.208 -0.529 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.611 -0.595 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.263 -1.194 -8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.660 -0.717 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.306 -1.321 -9.994 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.509 -1.081 -8.925 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.615 -3.781 -7.014 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.134 -4.858 -7.847 1.00 0.00 C ATOM 1183 C GLN A 71 -5.020 -6.205 -7.136 1.00 0.00 C ATOM 1184 O GLN A 71 -5.822 -7.112 -7.361 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.369 -4.878 -9.166 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.181 -5.386 -10.339 1.00 0.00 C ATOM 1187 CD GLN A 71 -4.503 -5.094 -11.661 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -3.275 -5.081 -11.752 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -5.293 -4.818 -12.685 1.00 0.00 N ATOM 0 H GLN A 71 -3.716 -3.411 -7.322 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.192 -4.681 -8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.020 -3.869 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.484 -5.503 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.333 -6.461 -10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.167 -4.922 -10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.306 -4.840 -12.568 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.889 -4.583 -13.592 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.027 -6.313 -6.269 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.795 -7.523 -5.495 1.00 0.00 C ATOM 1200 C ASN A 72 -4.882 -7.657 -4.444 1.00 0.00 C ATOM 1201 O ASN A 72 -5.446 -8.733 -4.249 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.416 -7.471 -4.829 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.942 -8.830 -4.347 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -2.222 -9.243 -3.221 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.217 -9.537 -5.202 1.00 0.00 N ATOM 0 H ASN A 72 -3.359 -5.565 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.822 -8.388 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.691 -7.069 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.452 -6.783 -3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.870 -10.458 -4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.007 -9.160 -6.126 1.00 0.00 H new ATOM 1212 N GLN A 73 -5.185 -6.542 -3.785 1.00 0.00 N ATOM 1213 CA GLN A 73 -6.295 -6.484 -2.844 1.00 0.00 C ATOM 1214 C GLN A 73 -7.598 -6.853 -3.539 1.00 0.00 C ATOM 1215 O GLN A 73 -8.417 -7.586 -2.988 1.00 0.00 O ATOM 1216 CB GLN A 73 -6.406 -5.088 -2.228 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.386 -4.818 -1.135 1.00 0.00 C ATOM 1218 CD GLN A 73 -5.594 -5.700 0.081 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -5.040 -6.794 0.176 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.403 -5.234 1.020 1.00 0.00 N ATOM 0 H GLN A 73 -4.674 -5.665 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.105 -7.202 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.287 -4.343 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.408 -4.961 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.383 -4.979 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.446 -3.772 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.845 -4.322 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.585 -5.787 1.857 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.778 -6.358 -4.757 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.980 -6.652 -5.527 1.00 0.00 C ATOM 1231 C ARG A 74 -9.093 -8.130 -5.869 1.00 0.00 C ATOM 1232 O ARG A 74 -10.164 -8.716 -5.730 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.036 -5.829 -6.815 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.625 -4.442 -6.631 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.009 -4.504 -5.999 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.934 -5.350 -6.750 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.876 -6.112 -6.189 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.002 -6.165 -4.866 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.690 -6.826 -6.953 1.00 0.00 N ATOM 0 H ARG A 74 -7.109 -5.752 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.822 -6.379 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.028 -5.735 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.627 -6.369 -7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.964 -3.845 -6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.687 -3.941 -7.597 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.922 -4.882 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.418 -3.496 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.855 -5.359 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.376 -5.621 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.724 -6.750 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.596 -6.793 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.410 -7.409 -6.526 1.00 0.00 H new ATOM 1253 N MET A 75 -8.000 -8.741 -6.311 1.00 0.00 N ATOM 1254 CA MET A 75 -8.072 -10.123 -6.780 1.00 0.00 C ATOM 1255 C MET A 75 -8.278 -11.106 -5.622 1.00 0.00 C ATOM 1256 O MET A 75 -8.847 -12.180 -5.811 1.00 0.00 O ATOM 1257 CB MET A 75 -6.839 -10.486 -7.624 1.00 0.00 C ATOM 1258 CG MET A 75 -5.514 -10.502 -6.874 1.00 0.00 C ATOM 1259 SD MET A 75 -5.238 -12.032 -5.960 1.00 0.00 S ATOM 1260 CE MET A 75 -3.579 -11.758 -5.352 1.00 0.00 C ATOM 0 H MET A 75 -7.074 -8.316 -6.355 1.00 0.00 H new ATOM 0 HA MET A 75 -8.947 -10.207 -7.424 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.999 -11.470 -8.065 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.762 -9.776 -8.448 1.00 0.00 H new ATOM 0 HG2 MET A 75 -4.700 -10.358 -7.584 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.485 -9.661 -6.181 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.128 -12.713 -5.082 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.981 -11.281 -6.129 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.615 -11.113 -4.474 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.856 -10.720 -4.422 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.975 -11.589 -3.251 1.00 0.00 C ATOM 1272 C LYS A 76 -9.332 -11.430 -2.561 1.00 0.00 C ATOM 1273 O LYS A 76 -9.729 -12.287 -1.770 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.849 -11.318 -2.245 1.00 0.00 C ATOM 1275 CG LYS A 76 -6.868 -9.914 -1.661 1.00 0.00 C ATOM 1276 CD LYS A 76 -5.723 -9.689 -0.686 1.00 0.00 C ATOM 1277 CE LYS A 76 -5.959 -10.389 0.646 1.00 0.00 C ATOM 1278 NZ LYS A 76 -7.152 -9.858 1.361 1.00 0.00 N ATOM 0 H LYS A 76 -7.429 -9.813 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.891 -12.615 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.920 -12.040 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.890 -11.484 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.806 -9.184 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.817 -9.746 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.795 -10.053 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.597 -8.620 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.087 -11.458 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.078 -10.271 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.096 -10.114 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.180 -8.822 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.015 -10.266 0.947 1.00 0.00 H new