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= 1.24 K(o=0.75,f=-3.5) USER MOD Set 1.2: A 75 MET CE :methyl -174:sc= -0.49 (180deg=-0.659) USER MOD Set 2.1: A 63 TYR OH : rot 150:sc= 0.959 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 171:sc= 0.942 (180deg=-0.323) USER MOD Set 3.1: A 44 GLN : amide:sc= 0.0953 X(o=0.19,f=-0.19) USER MOD Set 3.2: A 51 GLN : amide:sc= 0.0955 X(o=0.19,f=0) USER MOD Single : A 30 SER OG : rot 37:sc= 0.169 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.31) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.55 K(o=-0.55,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.49) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00512) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 48 SER OG : rot 180:sc= -0.826 USER MOD Single : A 50 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A 52 MET CE :methyl 142:sc= -0.388 (180deg=-1.3) USER MOD Single : A 53 GLN : amide:sc= -0.897 K(o=-0.9,f=0) USER MOD Single : A 56 SER OG : rot 12:sc= 0.222 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.26) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00917 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 73 GLN : amide:sc= -0.0729 K(o=-0.073,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0507 (180deg=-0.384) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.740 -0.086 3.561 1.00 0.00 N ATOM 479 CA SER A 30 9.173 0.927 4.505 1.00 0.00 C ATOM 480 C SER A 30 7.976 1.466 5.277 1.00 0.00 C ATOM 481 O SER A 30 6.845 1.425 4.787 1.00 0.00 O ATOM 482 CB SER A 30 9.890 2.054 3.761 1.00 0.00 C ATOM 483 OG SER A 30 10.916 1.532 2.930 1.00 0.00 O ATOM 0 HA SER A 30 9.869 0.483 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.174 2.611 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.317 2.756 4.477 1.00 0.00 H new ATOM 0 HG SER A 30 10.620 0.684 2.539 1.00 0.00 H new ATOM 489 N SER A 31 8.232 1.978 6.474 1.00 0.00 N ATOM 490 CA SER A 31 7.174 2.458 7.350 1.00 0.00 C ATOM 491 C SER A 31 6.407 3.602 6.696 1.00 0.00 C ATOM 492 O SER A 31 5.208 3.754 6.911 1.00 0.00 O ATOM 493 CB SER A 31 7.773 2.909 8.683 1.00 0.00 C ATOM 494 OG SER A 31 8.547 1.870 9.263 1.00 0.00 O ATOM 0 H SER A 31 9.171 2.071 6.861 1.00 0.00 H new ATOM 0 HA SER A 31 6.473 1.643 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.396 3.790 8.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.975 3.199 9.366 1.00 0.00 H new ATOM 0 HG SER A 31 8.923 2.178 10.114 1.00 0.00 H new ATOM 500 N THR A 32 7.105 4.393 5.888 1.00 0.00 N ATOM 501 CA THR A 32 6.483 5.493 5.165 1.00 0.00 C ATOM 502 C THR A 32 5.393 4.976 4.225 1.00 0.00 C ATOM 503 O THR A 32 4.261 5.464 4.242 1.00 0.00 O ATOM 504 CB THR A 32 7.533 6.284 4.359 1.00 0.00 C ATOM 505 OG1 THR A 32 8.670 6.555 5.193 1.00 0.00 O ATOM 506 CG2 THR A 32 6.951 7.593 3.844 1.00 0.00 C ATOM 0 H THR A 32 8.106 4.291 5.718 1.00 0.00 H new ATOM 0 HA THR A 32 6.030 6.159 5.900 1.00 0.00 H new ATOM 0 HB THR A 32 7.837 5.684 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.339 7.056 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.711 8.132 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.099 7.383 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.625 8.203 4.687 1.00 0.00 H new ATOM 514 N GLN A 33 5.731 3.963 3.430 1.00 0.00 N ATOM 515 CA GLN A 33 4.776 3.374 2.501 1.00 0.00 C ATOM 516 C GLN A 33 3.631 2.725 3.263 1.00 0.00 C ATOM 517 O GLN A 33 2.462 2.974 2.973 1.00 0.00 O ATOM 518 CB GLN A 33 5.454 2.333 1.609 1.00 0.00 C ATOM 519 CG GLN A 33 6.575 2.899 0.753 1.00 0.00 C ATOM 520 CD GLN A 33 7.163 1.872 -0.197 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.345 1.920 -0.528 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.341 0.935 -0.647 1.00 0.00 N ATOM 0 H GLN A 33 6.657 3.536 3.412 1.00 0.00 H new ATOM 0 HA GLN A 33 4.383 4.172 1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.854 1.536 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.705 1.881 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.196 3.744 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.363 3.282 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.365 0.927 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.684 0.222 -1.290 1.00 0.00 H new ATOM 531 N LEU A 34 3.982 1.905 4.249 1.00 0.00 N ATOM 532 CA LEU A 34 2.989 1.199 5.059 1.00 0.00 C ATOM 533 C LEU A 34 2.002 2.164 5.712 1.00 0.00 C ATOM 534 O LEU A 34 0.796 1.928 5.690 1.00 0.00 O ATOM 535 CB LEU A 34 3.676 0.353 6.133 1.00 0.00 C ATOM 536 CG LEU A 34 4.497 -0.823 5.603 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.192 -1.544 6.747 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.609 -1.783 4.820 1.00 0.00 C ATOM 0 H LEU A 34 4.949 1.711 4.509 1.00 0.00 H new ATOM 0 HA LEU A 34 2.429 0.546 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.330 0.998 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.916 -0.031 6.813 1.00 0.00 H new ATOM 0 HG LEU A 34 5.261 -0.437 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.772 -2.378 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.857 -0.852 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.446 -1.920 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.209 -2.614 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.823 -2.165 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.159 -1.257 3.978 1.00 0.00 H new ATOM 550 N CYS A 35 2.516 3.254 6.274 1.00 0.00 N ATOM 551 CA CYS A 35 1.680 4.223 6.979 1.00 0.00 C ATOM 552 C CYS A 35 0.626 4.823 6.052 1.00 0.00 C ATOM 553 O CYS A 35 -0.558 4.867 6.393 1.00 0.00 O ATOM 554 CB CYS A 35 2.547 5.336 7.575 1.00 0.00 C ATOM 555 SG CYS A 35 1.619 6.616 8.452 1.00 0.00 S ATOM 0 H CYS A 35 3.508 3.489 6.255 1.00 0.00 H new ATOM 0 HA CYS A 35 1.165 3.698 7.784 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.267 4.891 8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.119 5.803 6.773 1.00 0.00 H new ATOM 0 HG CYS A 35 2.443 7.507 8.918 1.00 0.00 H new ATOM 561 N VAL A 36 1.055 5.268 4.877 1.00 0.00 N ATOM 562 CA VAL A 36 0.147 5.910 3.932 1.00 0.00 C ATOM 563 C VAL A 36 -0.856 4.904 3.368 1.00 0.00 C ATOM 564 O VAL A 36 -2.037 5.222 3.196 1.00 0.00 O ATOM 565 CB VAL A 36 0.912 6.587 2.773 1.00 0.00 C ATOM 566 CG1 VAL A 36 -0.048 7.346 1.871 1.00 0.00 C ATOM 567 CG2 VAL A 36 1.986 7.521 3.310 1.00 0.00 C ATOM 0 H VAL A 36 2.021 5.197 4.556 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.392 6.681 4.483 1.00 0.00 H new ATOM 0 HB VAL A 36 1.397 5.808 2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.509 7.816 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.780 6.654 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.562 8.113 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.512 7.987 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.523 8.293 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.693 6.953 3.914 1.00 0.00 H new ATOM 577 N LEU A 37 -0.384 3.693 3.091 1.00 0.00 N ATOM 578 CA LEU A 37 -1.254 2.630 2.602 1.00 0.00 C ATOM 579 C LEU A 37 -2.305 2.281 3.650 1.00 0.00 C ATOM 580 O LEU A 37 -3.478 2.098 3.331 1.00 0.00 O ATOM 581 CB LEU A 37 -0.440 1.382 2.243 1.00 0.00 C ATOM 582 CG LEU A 37 0.519 1.540 1.060 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.325 0.265 0.856 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.253 1.890 -0.202 1.00 0.00 C ATOM 0 H LEU A 37 0.594 3.424 3.197 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.754 2.988 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.136 1.081 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.132 0.569 2.022 1.00 0.00 H new ATOM 0 HG LEU A 37 1.211 2.353 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.002 0.394 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.903 0.052 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.648 -0.565 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.442 1.999 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.965 1.095 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.790 2.827 -0.052 1.00 0.00 H new ATOM 596 N ASN A 38 -1.873 2.221 4.904 1.00 0.00 N ATOM 597 CA ASN A 38 -2.760 1.891 6.009 1.00 0.00 C ATOM 598 C ASN A 38 -3.823 2.965 6.159 1.00 0.00 C ATOM 599 O ASN A 38 -5.011 2.661 6.239 1.00 0.00 O ATOM 600 CB ASN A 38 -1.960 1.757 7.309 1.00 0.00 C ATOM 601 CG ASN A 38 -2.816 1.365 8.501 1.00 0.00 C ATOM 602 OD1 ASN A 38 -2.590 1.832 9.614 1.00 0.00 O ATOM 603 ND2 ASN A 38 -3.782 0.483 8.288 1.00 0.00 N ATOM 0 H ASN A 38 -0.907 2.398 5.180 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.246 0.938 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.177 1.011 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.464 2.704 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.367 0.170 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.940 0.117 7.349 1.00 0.00 H new ATOM 610 N ASP A 39 -3.383 4.218 6.167 1.00 0.00 N ATOM 611 CA ASP A 39 -4.288 5.355 6.303 1.00 0.00 C ATOM 612 C ASP A 39 -5.361 5.338 5.221 1.00 0.00 C ATOM 613 O ASP A 39 -6.555 5.367 5.517 1.00 0.00 O ATOM 614 CB ASP A 39 -3.509 6.676 6.246 1.00 0.00 C ATOM 615 CG ASP A 39 -4.417 7.877 6.046 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.976 8.386 7.033 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.572 8.320 4.890 1.00 0.00 O ATOM 0 H ASP A 39 -2.399 4.474 6.080 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.777 5.273 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.944 6.801 7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.785 6.632 5.433 1.00 0.00 H new ATOM 622 N ARG A 40 -4.926 5.248 3.973 1.00 0.00 N ATOM 623 CA ARG A 40 -5.832 5.322 2.835 1.00 0.00 C ATOM 624 C ARG A 40 -6.822 4.162 2.832 1.00 0.00 C ATOM 625 O ARG A 40 -8.010 4.361 2.595 1.00 0.00 O ATOM 626 CB ARG A 40 -5.040 5.355 1.526 1.00 0.00 C ATOM 627 CG ARG A 40 -4.908 6.749 0.917 1.00 0.00 C ATOM 628 CD ARG A 40 -4.254 7.743 1.867 1.00 0.00 C ATOM 629 NE ARG A 40 -4.059 9.053 1.236 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.006 10.211 1.905 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.140 10.234 3.226 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.819 11.355 1.248 1.00 0.00 N ATOM 0 H ARG A 40 -3.946 5.123 3.721 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.405 6.245 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.043 4.952 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.524 4.698 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.321 6.687 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.896 7.115 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.873 7.857 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.292 7.351 2.197 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.957 9.083 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.285 9.364 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.098 11.121 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.716 11.349 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.779 12.236 1.760 1.00 0.00 H new ATOM 646 N PHE A 41 -6.338 2.959 3.119 1.00 0.00 N ATOM 647 CA PHE A 41 -7.190 1.773 3.122 1.00 0.00 C ATOM 648 C PHE A 41 -8.111 1.729 4.340 1.00 0.00 C ATOM 649 O PHE A 41 -9.116 1.016 4.339 1.00 0.00 O ATOM 650 CB PHE A 41 -6.352 0.499 3.036 1.00 0.00 C ATOM 651 CG PHE A 41 -5.859 0.239 1.647 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.717 0.390 0.576 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.552 -0.149 1.406 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.290 0.162 -0.708 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.115 -0.381 0.117 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.985 -0.224 -0.944 1.00 0.00 C ATOM 0 H PHE A 41 -5.362 2.778 3.352 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.824 1.834 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.501 0.580 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.948 -0.349 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.739 0.692 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.869 -0.271 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.975 0.284 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.094 -0.685 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.646 -0.402 -1.954 1.00 0.00 H new ATOM 666 N GLN A 42 -7.764 2.461 5.391 1.00 0.00 N ATOM 667 CA GLN A 42 -8.610 2.505 6.581 1.00 0.00 C ATOM 668 C GLN A 42 -9.666 3.604 6.484 1.00 0.00 C ATOM 669 O GLN A 42 -10.704 3.532 7.140 1.00 0.00 O ATOM 670 CB GLN A 42 -7.767 2.693 7.844 1.00 0.00 C ATOM 671 CG GLN A 42 -6.979 1.450 8.228 1.00 0.00 C ATOM 672 CD GLN A 42 -7.871 0.292 8.628 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.306 -0.497 7.790 1.00 0.00 O ATOM 674 NE2 GLN A 42 -8.135 0.167 9.917 1.00 0.00 N ATOM 0 H GLN A 42 -6.916 3.025 5.446 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.127 1.547 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.075 3.521 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.420 2.971 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.353 1.148 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.310 1.690 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.757 0.841 10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.717 -0.603 10.246 1.00 0.00 H new ATOM 683 N ARG A 43 -9.405 4.618 5.667 1.00 0.00 N ATOM 684 CA ARG A 43 -10.346 5.726 5.517 1.00 0.00 C ATOM 685 C ARG A 43 -11.205 5.555 4.264 1.00 0.00 C ATOM 686 O ARG A 43 -12.334 6.047 4.197 1.00 0.00 O ATOM 687 CB ARG A 43 -9.595 7.062 5.480 1.00 0.00 C ATOM 688 CG ARG A 43 -8.671 7.216 4.286 1.00 0.00 C ATOM 689 CD ARG A 43 -7.643 8.311 4.513 1.00 0.00 C ATOM 690 NE ARG A 43 -8.254 9.628 4.690 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.662 10.644 5.317 1.00 0.00 C ATOM 692 NH1 ARG A 43 -6.492 10.471 5.926 1.00 0.00 N ATOM 693 NH2 ARG A 43 -8.266 11.825 5.357 1.00 0.00 N ATOM 0 H ARG A 43 -8.559 4.698 5.103 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.012 5.724 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.321 7.875 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.011 7.165 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.161 6.272 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.259 7.446 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.048 8.069 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.958 8.343 3.665 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.189 9.778 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.042 9.556 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.045 11.254 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.175 11.948 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.822 12.609 5.834 1.00 0.00 H new ATOM 707 N GLN A 44 -10.658 4.863 3.271 1.00 0.00 N ATOM 708 CA GLN A 44 -11.379 4.557 2.040 1.00 0.00 C ATOM 709 C GLN A 44 -11.155 3.093 1.685 1.00 0.00 C ATOM 710 O GLN A 44 -10.193 2.490 2.148 1.00 0.00 O ATOM 711 CB GLN A 44 -10.907 5.458 0.889 1.00 0.00 C ATOM 712 CG GLN A 44 -11.115 6.944 1.145 1.00 0.00 C ATOM 713 CD GLN A 44 -10.698 7.817 -0.024 1.00 0.00 C ATOM 714 OE1 GLN A 44 -9.797 7.475 -0.790 1.00 0.00 O ATOM 715 NE2 GLN A 44 -11.354 8.959 -0.167 1.00 0.00 N ATOM 0 H GLN A 44 -9.705 4.499 3.296 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.442 4.742 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.848 5.275 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.439 5.178 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.167 7.124 1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.548 7.237 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.095 9.207 0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.118 9.590 -0.933 1.00 0.00 H new ATOM 724 N LYS A 45 -12.043 2.516 0.887 1.00 0.00 N ATOM 725 CA LYS A 45 -11.924 1.106 0.532 1.00 0.00 C ATOM 726 C LYS A 45 -10.744 0.863 -0.397 1.00 0.00 C ATOM 727 O LYS A 45 -9.895 0.016 -0.119 1.00 0.00 O ATOM 728 CB LYS A 45 -13.209 0.613 -0.132 1.00 0.00 C ATOM 729 CG LYS A 45 -14.412 0.603 0.792 1.00 0.00 C ATOM 730 CD LYS A 45 -15.641 0.062 0.085 1.00 0.00 C ATOM 731 CE LYS A 45 -16.807 -0.130 1.043 1.00 0.00 C ATOM 732 NZ LYS A 45 -17.299 1.158 1.593 1.00 0.00 N ATOM 0 H LYS A 45 -12.845 2.994 0.477 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.755 0.549 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.428 1.246 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.046 -0.396 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.195 -0.007 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.609 1.614 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.934 0.747 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.399 -0.890 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.621 -0.636 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.498 -0.779 1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.115 0.981 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.541 1.615 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.587 1.782 0.812 1.00 0.00 H new ATOM 746 N TYR A 46 -10.689 1.615 -1.490 1.00 0.00 N ATOM 747 CA TYR A 46 -9.638 1.453 -2.488 1.00 0.00 C ATOM 748 C TYR A 46 -9.356 2.787 -3.167 1.00 0.00 C ATOM 749 O TYR A 46 -10.147 3.724 -3.060 1.00 0.00 O ATOM 750 CB TYR A 46 -10.033 0.412 -3.545 1.00 0.00 C ATOM 751 CG TYR A 46 -10.104 -1.012 -3.028 1.00 0.00 C ATOM 752 CD1 TYR A 46 -8.949 -1.707 -2.694 1.00 0.00 C ATOM 753 CD2 TYR A 46 -11.325 -1.659 -2.878 1.00 0.00 C ATOM 754 CE1 TYR A 46 -9.007 -3.004 -2.221 1.00 0.00 C ATOM 755 CE2 TYR A 46 -11.391 -2.957 -2.404 1.00 0.00 C ATOM 756 CZ TYR A 46 -10.228 -3.625 -2.080 1.00 0.00 C ATOM 757 OH TYR A 46 -10.283 -4.919 -1.611 1.00 0.00 O ATOM 0 H TYR A 46 -11.364 2.347 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.740 1.103 -1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.004 0.684 -3.959 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.314 0.453 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.989 -1.225 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.237 -1.140 -3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.099 -3.528 -1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.348 -3.445 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.217 -5.212 -1.568 1.00 0.00 H new ATOM 767 N LEU A 47 -8.234 2.863 -3.870 1.00 0.00 N ATOM 768 CA LEU A 47 -7.844 4.086 -4.560 1.00 0.00 C ATOM 769 C LEU A 47 -8.238 4.021 -6.031 1.00 0.00 C ATOM 770 O LEU A 47 -8.273 2.945 -6.626 1.00 0.00 O ATOM 771 CB LEU A 47 -6.331 4.334 -4.436 1.00 0.00 C ATOM 772 CG LEU A 47 -5.822 4.741 -3.042 1.00 0.00 C ATOM 773 CD1 LEU A 47 -6.658 5.879 -2.478 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.809 3.555 -2.092 1.00 0.00 C ATOM 0 H LEU A 47 -7.576 2.091 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.370 4.915 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.809 3.427 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.052 5.115 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.795 5.090 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.282 6.152 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.595 6.741 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.697 5.561 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.445 3.875 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.819 3.159 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.154 2.779 -2.488 1.00 0.00 H new ATOM 786 N SER A 48 -8.540 5.175 -6.609 1.00 0.00 N ATOM 787 CA SER A 48 -8.909 5.252 -8.004 1.00 0.00 C ATOM 788 C SER A 48 -7.664 5.407 -8.867 1.00 0.00 C ATOM 789 O SER A 48 -6.551 5.523 -8.349 1.00 0.00 O ATOM 790 CB SER A 48 -9.864 6.428 -8.217 1.00 0.00 C ATOM 791 OG SER A 48 -9.323 7.623 -7.677 1.00 0.00 O ATOM 0 H SER A 48 -8.535 6.073 -6.125 1.00 0.00 H new ATOM 0 HA SER A 48 -9.414 4.332 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.054 6.559 -9.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.823 6.213 -7.746 1.00 0.00 H new ATOM 0 HG SER A 48 -9.949 8.362 -7.826 1.00 0.00 H new ATOM 797 N LEU A 49 -7.860 5.435 -10.176 1.00 0.00 N ATOM 798 CA LEU A 49 -6.764 5.535 -11.122 1.00 0.00 C ATOM 799 C LEU A 49 -6.002 6.843 -10.945 1.00 0.00 C ATOM 800 O LEU A 49 -4.788 6.901 -11.143 1.00 0.00 O ATOM 801 CB LEU A 49 -7.300 5.421 -12.549 1.00 0.00 C ATOM 802 CG LEU A 49 -7.530 3.994 -13.061 1.00 0.00 C ATOM 803 CD1 LEU A 49 -8.677 3.317 -12.322 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.792 4.009 -14.559 1.00 0.00 C ATOM 0 H LEU A 49 -8.782 5.389 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.070 4.716 -10.932 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.243 5.965 -12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.602 5.920 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.626 3.416 -12.868 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.814 2.307 -12.709 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.446 3.270 -11.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.593 3.889 -12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.954 2.990 -14.910 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.677 4.610 -14.768 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.933 4.438 -15.074 1.00 0.00 H new ATOM 816 N GLN A 50 -6.719 7.886 -10.552 1.00 0.00 N ATOM 817 CA GLN A 50 -6.105 9.182 -10.316 1.00 0.00 C ATOM 818 C GLN A 50 -5.325 9.165 -9.005 1.00 0.00 C ATOM 819 O GLN A 50 -4.229 9.711 -8.915 1.00 0.00 O ATOM 820 CB GLN A 50 -7.177 10.279 -10.284 1.00 0.00 C ATOM 821 CG GLN A 50 -6.619 11.694 -10.170 1.00 0.00 C ATOM 822 CD GLN A 50 -5.877 12.149 -11.417 1.00 0.00 C ATOM 823 OE1 GLN A 50 -5.289 11.346 -12.139 1.00 0.00 O ATOM 824 NE2 GLN A 50 -5.909 13.443 -11.683 1.00 0.00 N ATOM 0 H GLN A 50 -7.726 7.859 -10.390 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.413 9.395 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.779 10.210 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.845 10.095 -9.442 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.438 12.385 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.944 11.744 -9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.407 14.079 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.436 13.805 -12.511 1.00 0.00 H new ATOM 833 N GLN A 51 -5.882 8.506 -7.997 1.00 0.00 N ATOM 834 CA GLN A 51 -5.282 8.500 -6.677 1.00 0.00 C ATOM 835 C GLN A 51 -4.058 7.589 -6.609 1.00 0.00 C ATOM 836 O GLN A 51 -3.119 7.872 -5.875 1.00 0.00 O ATOM 837 CB GLN A 51 -6.305 8.101 -5.620 1.00 0.00 C ATOM 838 CG GLN A 51 -7.417 9.118 -5.459 1.00 0.00 C ATOM 839 CD GLN A 51 -7.922 9.208 -4.034 1.00 0.00 C ATOM 840 OE1 GLN A 51 -7.419 10.007 -3.246 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.912 8.397 -3.692 1.00 0.00 N ATOM 0 H GLN A 51 -6.747 7.971 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.945 9.516 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.738 7.137 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.799 7.970 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.058 10.097 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.244 8.854 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.300 7.749 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.286 8.420 -2.743 1.00 0.00 H new ATOM 850 N MET A 52 -4.064 6.499 -7.369 1.00 0.00 N ATOM 851 CA MET A 52 -2.936 5.569 -7.362 1.00 0.00 C ATOM 852 C MET A 52 -1.681 6.203 -7.969 1.00 0.00 C ATOM 853 O MET A 52 -0.579 6.000 -7.461 1.00 0.00 O ATOM 854 CB MET A 52 -3.292 4.253 -8.069 1.00 0.00 C ATOM 855 CG MET A 52 -3.803 4.414 -9.487 1.00 0.00 C ATOM 856 SD MET A 52 -4.298 2.848 -10.236 1.00 0.00 S ATOM 857 CE MET A 52 -5.545 2.292 -9.074 1.00 0.00 C ATOM 0 H MET A 52 -4.828 6.238 -7.992 1.00 0.00 H new ATOM 0 HA MET A 52 -2.714 5.336 -6.321 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.408 3.615 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.049 3.734 -7.481 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.653 5.096 -9.486 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.026 4.874 -10.098 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.360 1.813 -9.617 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.102 1.578 -8.379 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.932 3.147 -8.519 1.00 0.00 H new ATOM 867 N GLN A 53 -1.838 6.985 -9.035 1.00 0.00 N ATOM 868 CA GLN A 53 -0.688 7.656 -9.634 1.00 0.00 C ATOM 869 C GLN A 53 -0.239 8.825 -8.763 1.00 0.00 C ATOM 870 O GLN A 53 0.953 9.132 -8.670 1.00 0.00 O ATOM 871 CB GLN A 53 -0.984 8.130 -11.061 1.00 0.00 C ATOM 872 CG GLN A 53 -1.956 9.298 -11.160 1.00 0.00 C ATOM 873 CD GLN A 53 -2.136 9.781 -12.586 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.364 10.964 -12.828 1.00 0.00 O ATOM 875 NE2 GLN A 53 -2.035 8.868 -13.540 1.00 0.00 N ATOM 0 H GLN A 53 -2.731 7.167 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 53 0.122 6.929 -9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.045 8.416 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.386 7.292 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.923 8.998 -10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.595 10.121 -10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.845 7.896 -13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.147 9.137 -14.517 1.00 0.00 H new ATOM 884 N GLU A 54 -1.199 9.465 -8.115 1.00 0.00 N ATOM 885 CA GLU A 54 -0.911 10.552 -7.198 1.00 0.00 C ATOM 886 C GLU A 54 -0.159 10.009 -5.983 1.00 0.00 C ATOM 887 O GLU A 54 0.754 10.649 -5.462 1.00 0.00 O ATOM 888 CB GLU A 54 -2.219 11.229 -6.777 1.00 0.00 C ATOM 889 CG GLU A 54 -2.031 12.483 -5.942 1.00 0.00 C ATOM 890 CD GLU A 54 -3.346 13.152 -5.584 1.00 0.00 C ATOM 891 OE1 GLU A 54 -4.082 12.609 -4.731 1.00 0.00 O ATOM 892 OE2 GLU A 54 -3.648 14.224 -6.146 1.00 0.00 O ATOM 0 H GLU A 54 -2.191 9.247 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.282 11.295 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.787 11.484 -7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.818 10.516 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.497 12.228 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.406 13.189 -6.490 1.00 0.00 H new ATOM 899 N LEU A 55 -0.538 8.805 -5.563 1.00 0.00 N ATOM 900 CA LEU A 55 0.097 8.140 -4.431 1.00 0.00 C ATOM 901 C LEU A 55 1.522 7.727 -4.771 1.00 0.00 C ATOM 902 O LEU A 55 2.444 7.938 -3.978 1.00 0.00 O ATOM 903 CB LEU A 55 -0.718 6.914 -4.000 1.00 0.00 C ATOM 904 CG LEU A 55 -0.188 6.176 -2.769 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.177 7.100 -1.562 1.00 0.00 C ATOM 906 CD2 LEU A 55 -1.027 4.937 -2.490 1.00 0.00 C ATOM 0 H LEU A 55 -1.289 8.267 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 55 0.132 8.848 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.742 7.231 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.758 6.213 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 55 0.836 5.858 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.203 6.561 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.465 7.957 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.191 7.446 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.637 4.424 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.061 5.231 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.985 4.268 -3.350 1.00 0.00 H new ATOM 918 N SER A 56 1.702 7.147 -5.954 1.00 0.00 N ATOM 919 CA SER A 56 3.026 6.725 -6.404 1.00 0.00 C ATOM 920 C SER A 56 3.978 7.916 -6.476 1.00 0.00 C ATOM 921 O SER A 56 5.181 7.774 -6.263 1.00 0.00 O ATOM 922 CB SER A 56 2.942 6.024 -7.764 1.00 0.00 C ATOM 923 OG SER A 56 2.150 6.748 -8.688 1.00 0.00 O ATOM 0 H SER A 56 0.950 6.959 -6.617 1.00 0.00 H new ATOM 0 HA SER A 56 3.418 6.015 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.946 5.897 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.523 5.026 -7.632 1.00 0.00 H new ATOM 0 HG SER A 56 1.974 7.645 -8.336 1.00 0.00 H new ATOM 929 N ASN A 57 3.423 9.096 -6.749 1.00 0.00 N ATOM 930 CA ASN A 57 4.212 10.319 -6.849 1.00 0.00 C ATOM 931 C ASN A 57 4.790 10.704 -5.487 1.00 0.00 C ATOM 932 O ASN A 57 5.895 11.234 -5.403 1.00 0.00 O ATOM 933 CB ASN A 57 3.345 11.457 -7.402 1.00 0.00 C ATOM 934 CG ASN A 57 4.132 12.728 -7.674 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.699 12.900 -8.754 1.00 0.00 O ATOM 936 ND2 ASN A 57 4.152 13.638 -6.711 1.00 0.00 N ATOM 0 H ASN A 57 2.424 9.229 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 57 5.043 10.142 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.869 11.127 -8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.547 11.676 -6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.649 14.518 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.670 13.459 -5.830 1.00 0.00 H new ATOM 943 N ILE A 58 4.043 10.420 -4.423 1.00 0.00 N ATOM 944 CA ILE A 58 4.483 10.739 -3.069 1.00 0.00 C ATOM 945 C ILE A 58 5.625 9.826 -2.648 1.00 0.00 C ATOM 946 O ILE A 58 6.639 10.274 -2.116 1.00 0.00 O ATOM 947 CB ILE A 58 3.345 10.564 -2.041 1.00 0.00 C ATOM 948 CG1 ILE A 58 2.050 11.190 -2.551 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.744 11.178 -0.704 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.875 10.978 -1.621 1.00 0.00 C ATOM 0 H ILE A 58 3.129 9.969 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 58 4.805 11.780 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 58 3.172 9.497 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.203 12.260 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.812 10.769 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.933 11.048 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.641 10.684 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.944 12.241 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.013 11.448 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.696 9.910 -1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.094 11.423 -0.651 1.00 0.00 H new ATOM 962 N LEU A 59 5.449 8.540 -2.903 1.00 0.00 N ATOM 963 CA LEU A 59 6.388 7.533 -2.436 1.00 0.00 C ATOM 964 C LEU A 59 7.570 7.378 -3.387 1.00 0.00 C ATOM 965 O LEU A 59 8.458 6.557 -3.147 1.00 0.00 O ATOM 966 CB LEU A 59 5.673 6.189 -2.258 1.00 0.00 C ATOM 967 CG LEU A 59 4.530 6.189 -1.241 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.854 4.827 -1.194 1.00 0.00 C ATOM 969 CD2 LEU A 59 5.040 6.575 0.138 1.00 0.00 C ATOM 0 H LEU A 59 4.661 8.167 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 59 6.779 7.865 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.278 5.875 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.407 5.442 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 59 3.794 6.929 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.044 4.848 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.451 4.587 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.582 4.069 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.212 6.569 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.798 5.860 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.477 7.573 0.098 1.00 0.00 H new ATOM 981 N ASN A 60 7.581 8.184 -4.447 1.00 0.00 N ATOM 982 CA ASN A 60 8.632 8.131 -5.465 1.00 0.00 C ATOM 983 C ASN A 60 8.670 6.737 -6.098 1.00 0.00 C ATOM 984 O ASN A 60 9.732 6.177 -6.375 1.00 0.00 O ATOM 985 CB ASN A 60 9.994 8.500 -4.852 1.00 0.00 C ATOM 986 CG ASN A 60 11.087 8.709 -5.888 1.00 0.00 C ATOM 987 OD1 ASN A 60 12.253 8.398 -5.640 1.00 0.00 O ATOM 988 ND2 ASN A 60 10.733 9.241 -7.050 1.00 0.00 N ATOM 0 H ASN A 60 6.866 8.889 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 60 8.411 8.859 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.884 9.410 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.301 7.711 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.435 9.404 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.758 9.487 -7.222 1.00 0.00 H new ATOM 995 N LEU A 61 7.487 6.189 -6.332 1.00 0.00 N ATOM 996 CA LEU A 61 7.349 4.864 -6.914 1.00 0.00 C ATOM 997 C LEU A 61 6.602 4.947 -8.235 1.00 0.00 C ATOM 998 O LEU A 61 6.245 6.033 -8.692 1.00 0.00 O ATOM 999 CB LEU A 61 6.610 3.928 -5.952 1.00 0.00 C ATOM 1000 CG LEU A 61 7.326 3.651 -4.627 1.00 0.00 C ATOM 1001 CD1 LEU A 61 6.473 2.758 -3.740 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.687 3.013 -4.877 1.00 0.00 C ATOM 0 H LEU A 61 6.600 6.648 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 61 8.346 4.461 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.632 4.357 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.436 2.978 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 61 7.482 4.600 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.996 2.570 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.523 3.251 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.288 1.811 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.181 2.824 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.555 2.072 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.300 3.687 -5.476 1.00 0.00 H new ATOM 1014 N SER A 62 6.365 3.803 -8.838 1.00 0.00 N ATOM 1015 CA SER A 62 5.699 3.747 -10.122 1.00 0.00 C ATOM 1016 C SER A 62 4.196 3.554 -9.946 1.00 0.00 C ATOM 1017 O SER A 62 3.746 2.894 -9.006 1.00 0.00 O ATOM 1018 CB SER A 62 6.295 2.615 -10.959 1.00 0.00 C ATOM 1019 OG SER A 62 5.562 2.408 -12.158 1.00 0.00 O ATOM 0 H SER A 62 6.625 2.893 -8.457 1.00 0.00 H new ATOM 0 HA SER A 62 5.853 4.693 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.332 2.848 -11.202 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.304 1.695 -10.374 1.00 0.00 H new ATOM 0 HG SER A 62 5.971 1.679 -12.670 1.00 0.00 H new ATOM 1025 N TYR A 63 3.440 4.143 -10.864 1.00 0.00 N ATOM 1026 CA TYR A 63 1.987 4.006 -10.912 1.00 0.00 C ATOM 1027 C TYR A 63 1.606 2.540 -11.005 1.00 0.00 C ATOM 1028 O TYR A 63 0.647 2.090 -10.387 1.00 0.00 O ATOM 1029 CB TYR A 63 1.447 4.780 -12.127 1.00 0.00 C ATOM 1030 CG TYR A 63 0.058 4.371 -12.585 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -1.076 4.944 -12.032 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.111 3.411 -13.577 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.339 4.578 -12.454 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.372 3.040 -14.005 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.485 3.625 -13.437 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.748 3.265 -13.857 1.00 0.00 O ATOM 0 H TYR A 63 3.820 4.735 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 63 1.550 4.417 -10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.435 5.843 -11.885 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.140 4.650 -12.958 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.970 5.690 -11.258 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.758 2.947 -14.021 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.211 5.039 -12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.485 2.296 -14.780 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.715 2.993 -14.798 1.00 0.00 H new ATOM 1046 N LYS A 64 2.393 1.803 -11.766 1.00 0.00 N ATOM 1047 CA LYS A 64 2.146 0.401 -12.010 1.00 0.00 C ATOM 1048 C LYS A 64 2.439 -0.410 -10.762 1.00 0.00 C ATOM 1049 O LYS A 64 1.794 -1.421 -10.500 1.00 0.00 O ATOM 1050 CB LYS A 64 3.016 -0.053 -13.174 1.00 0.00 C ATOM 1051 CG LYS A 64 2.738 0.726 -14.447 1.00 0.00 C ATOM 1052 CD LYS A 64 3.922 0.701 -15.394 1.00 0.00 C ATOM 1053 CE LYS A 64 3.667 1.576 -16.610 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.878 1.711 -17.458 1.00 0.00 N ATOM 0 H LYS A 64 3.225 2.165 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 64 1.097 0.247 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.066 0.061 -12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.847 -1.114 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.865 0.306 -14.946 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.496 1.759 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.815 1.047 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.115 -0.323 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.856 1.150 -17.200 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.340 2.563 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.663 2.315 -18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.645 2.141 -16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.176 0.771 -17.790 1.00 0.00 H new ATOM 1068 N GLN A 65 3.408 0.055 -9.985 1.00 0.00 N ATOM 1069 CA GLN A 65 3.748 -0.586 -8.727 1.00 0.00 C ATOM 1070 C GLN A 65 2.597 -0.406 -7.746 1.00 0.00 C ATOM 1071 O GLN A 65 2.151 -1.368 -7.114 1.00 0.00 O ATOM 1072 CB GLN A 65 5.051 0.008 -8.170 1.00 0.00 C ATOM 1073 CG GLN A 65 5.727 -0.832 -7.088 1.00 0.00 C ATOM 1074 CD GLN A 65 5.037 -0.753 -5.738 1.00 0.00 C ATOM 1075 OE1 GLN A 65 4.439 0.263 -5.390 1.00 0.00 O ATOM 1076 NE2 GLN A 65 5.126 -1.823 -4.963 1.00 0.00 N ATOM 0 H GLN A 65 3.972 0.876 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 65 3.908 -1.653 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.752 0.146 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.838 0.996 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.755 -1.872 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.761 -0.504 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.631 -2.647 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.689 -1.823 -4.041 1.00 0.00 H new ATOM 1085 N VAL A 66 2.086 0.822 -7.661 1.00 0.00 N ATOM 1086 CA VAL A 66 0.974 1.120 -6.762 1.00 0.00 C ATOM 1087 C VAL A 66 -0.294 0.400 -7.220 1.00 0.00 C ATOM 1088 O VAL A 66 -1.027 -0.186 -6.419 1.00 0.00 O ATOM 1089 CB VAL A 66 0.714 2.638 -6.666 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.521 2.927 -5.824 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.927 3.332 -6.071 1.00 0.00 C ATOM 0 H VAL A 66 2.422 1.620 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 66 1.249 0.761 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 66 0.537 3.022 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.682 4.004 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.390 2.451 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.376 2.533 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.738 4.403 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.120 2.936 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.795 3.155 -6.706 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.518 0.424 -8.527 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.691 -0.192 -9.132 1.00 0.00 C ATOM 1103 C LYS A 67 -1.716 -1.697 -8.881 1.00 0.00 C ATOM 1104 O LYS A 67 -2.753 -2.264 -8.541 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.689 0.081 -10.635 1.00 0.00 C ATOM 1106 CG LYS A 67 -2.957 -0.338 -11.353 1.00 0.00 C ATOM 1107 CD LYS A 67 -2.816 -0.148 -12.853 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.152 -0.264 -13.559 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.076 0.841 -13.190 1.00 0.00 N ATOM 0 H LYS A 67 0.108 0.871 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.582 0.241 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.530 1.147 -10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.843 -0.439 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.176 -1.383 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.799 0.248 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.380 0.830 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.128 -0.893 -13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.994 -0.259 -14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.612 -1.220 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.915 0.812 -13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.369 0.732 -12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.591 1.753 -13.309 1.00 0.00 H new ATOM 1123 N THR A 68 -0.564 -2.329 -9.036 1.00 0.00 N ATOM 1124 CA THR A 68 -0.455 -3.773 -8.881 1.00 0.00 C ATOM 1125 C THR A 68 -0.749 -4.198 -7.440 1.00 0.00 C ATOM 1126 O THR A 68 -1.423 -5.205 -7.208 1.00 0.00 O ATOM 1127 CB THR A 68 0.941 -4.275 -9.306 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.170 -3.958 -10.685 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.082 -5.777 -9.107 1.00 0.00 C ATOM 0 H THR A 68 0.313 -1.864 -9.270 1.00 0.00 H new ATOM 0 HA THR A 68 -1.200 -4.227 -9.535 1.00 0.00 H new ATOM 0 HB THR A 68 1.679 -3.777 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.509 -3.041 -10.758 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.078 -6.093 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.936 -6.020 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.334 -6.295 -9.707 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.266 -3.424 -6.475 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.494 -3.737 -5.072 1.00 0.00 C ATOM 1139 C TRP A 69 -1.983 -3.613 -4.753 1.00 0.00 C ATOM 1140 O TRP A 69 -2.553 -4.437 -4.032 1.00 0.00 O ATOM 1141 CB TRP A 69 0.333 -2.810 -4.172 1.00 0.00 C ATOM 1142 CG TRP A 69 0.671 -3.429 -2.848 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.685 -4.308 -2.595 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.001 -3.223 -1.600 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.683 -4.663 -1.269 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.661 -4.010 -0.636 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.094 -2.452 -1.201 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 0.265 -4.046 0.699 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.485 -2.488 0.125 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -0.807 -3.281 1.060 1.00 0.00 C ATOM 0 H TRP A 69 0.283 -2.580 -6.638 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.177 -4.762 -4.880 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.255 -2.540 -4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.221 -1.886 -4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.387 -4.671 -3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.337 -5.309 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.624 -1.839 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.786 -4.656 1.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.328 -1.894 0.446 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.139 -3.287 2.088 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.606 -2.592 -5.335 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.046 -2.377 -5.216 1.00 0.00 C ATOM 1163 C PHE A 70 -4.833 -3.582 -5.738 1.00 0.00 C ATOM 1164 O PHE A 70 -5.778 -4.038 -5.097 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.441 -1.095 -5.974 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.824 -1.117 -6.566 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.947 -0.923 -5.776 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -5.995 -1.341 -7.924 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.213 -0.953 -6.332 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.255 -1.370 -8.483 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.366 -1.178 -7.688 1.00 0.00 C ATOM 0 H PHE A 70 -2.128 -1.891 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.294 -2.259 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.366 -0.248 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.720 -0.925 -6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.832 -0.747 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.130 -1.495 -8.552 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -9.081 -0.801 -5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.372 -1.543 -9.543 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.354 -1.203 -8.124 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.429 -4.100 -6.893 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.143 -5.212 -7.519 1.00 0.00 C ATOM 1183 C GLN A 71 -5.007 -6.494 -6.700 1.00 0.00 C ATOM 1184 O GLN A 71 -5.916 -7.322 -6.675 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.636 -5.436 -8.942 1.00 0.00 C ATOM 1186 CG GLN A 71 -4.860 -4.242 -9.858 1.00 0.00 C ATOM 1187 CD GLN A 71 -4.487 -4.534 -11.296 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -3.343 -4.341 -11.706 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -5.455 -4.988 -12.075 1.00 0.00 N ATOM 0 H GLN A 71 -3.616 -3.771 -7.414 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.200 -4.950 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.571 -5.664 -8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.135 -6.308 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.908 -3.944 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.272 -3.397 -9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.390 -5.134 -11.694 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.266 -5.192 -13.056 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.882 -6.638 -6.017 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.644 -7.796 -5.162 1.00 0.00 C ATOM 1200 C ASN A 72 -4.475 -7.681 -3.899 1.00 0.00 C ATOM 1201 O ASN A 72 -5.059 -8.657 -3.442 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.154 -7.934 -4.815 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.352 -8.626 -5.909 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.177 -9.847 -5.895 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -0.856 -7.854 -6.862 1.00 0.00 N ATOM 0 H ASN A 72 -3.115 -5.966 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.942 -8.693 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.735 -6.944 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.053 -8.496 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.308 -8.265 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.021 -6.848 -6.841 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.549 -6.476 -3.357 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.391 -6.212 -2.202 1.00 0.00 C ATOM 1214 C GLN A 73 -6.853 -6.480 -2.553 1.00 0.00 C ATOM 1215 O GLN A 73 -7.633 -6.955 -1.726 1.00 0.00 O ATOM 1216 CB GLN A 73 -5.210 -4.759 -1.751 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.891 -4.427 -0.435 1.00 0.00 C ATOM 1218 CD GLN A 73 -5.321 -5.206 0.733 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -4.146 -5.582 0.737 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.147 -5.447 1.738 1.00 0.00 N ATOM 0 H GLN A 73 -4.035 -5.664 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.100 -6.873 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.144 -4.549 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.600 -4.099 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.790 -3.360 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.957 -4.636 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.112 -5.118 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.819 -5.961 2.556 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.207 -6.178 -3.795 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.560 -6.385 -4.287 1.00 0.00 C ATOM 1231 C ARG A 74 -8.861 -7.870 -4.474 1.00 0.00 C ATOM 1232 O ARG A 74 -9.954 -8.331 -4.145 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.759 -5.632 -5.606 1.00 0.00 C ATOM 1234 CG ARG A 74 -9.905 -4.625 -5.590 1.00 0.00 C ATOM 1235 CD ARG A 74 -11.265 -5.282 -5.808 1.00 0.00 C ATOM 1236 NE ARG A 74 -11.675 -6.151 -4.701 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.939 -6.492 -4.452 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -13.924 -5.987 -5.189 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -13.215 -7.319 -3.451 1.00 0.00 N ATOM 0 H ARG A 74 -6.567 -5.785 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.255 -5.995 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.835 -5.109 -5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.939 -6.356 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.908 -4.099 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.738 -3.877 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.017 -4.506 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.235 -5.867 -6.727 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.949 -6.517 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.713 -5.337 -5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.891 -6.249 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.461 -7.692 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.182 -7.582 -3.258 1.00 0.00 H new ATOM 1253 N MET A 75 -7.898 -8.627 -4.995 1.00 0.00 N ATOM 1254 CA MET A 75 -8.143 -10.045 -5.273 1.00 0.00 C ATOM 1255 C MET A 75 -8.194 -10.867 -3.982 1.00 0.00 C ATOM 1256 O MET A 75 -8.809 -11.936 -3.946 1.00 0.00 O ATOM 1257 CB MET A 75 -7.113 -10.613 -6.268 1.00 0.00 C ATOM 1258 CG MET A 75 -5.665 -10.574 -5.804 1.00 0.00 C ATOM 1259 SD MET A 75 -5.235 -11.917 -4.680 1.00 0.00 S ATOM 1260 CE MET A 75 -3.501 -11.576 -4.401 1.00 0.00 C ATOM 0 H MET A 75 -6.962 -8.296 -5.229 1.00 0.00 H new ATOM 0 HA MET A 75 -9.122 -10.121 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.378 -11.647 -6.488 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.192 -10.058 -7.203 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.011 -10.616 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.476 -9.622 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.063 -12.380 -3.810 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.985 -11.506 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.397 -10.633 -3.864 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.582 -10.347 -2.920 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.616 -11.001 -1.609 1.00 0.00 C ATOM 1272 C LYS A 76 -9.046 -11.116 -1.091 1.00 0.00 C ATOM 1273 O LYS A 76 -9.449 -12.156 -0.566 1.00 0.00 O ATOM 1274 CB LYS A 76 -6.783 -10.211 -0.593 1.00 0.00 C ATOM 1275 CG LYS A 76 -5.289 -10.244 -0.847 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.687 -11.596 -0.507 1.00 0.00 C ATOM 1277 CE LYS A 76 -3.182 -11.601 -0.728 1.00 0.00 C ATOM 1278 NZ LYS A 76 -2.492 -10.550 0.071 1.00 0.00 N ATOM 0 H LYS A 76 -7.055 -9.474 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.198 -12.000 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.117 -9.173 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.978 -10.606 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.093 -10.012 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.803 -9.470 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.905 -11.843 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.150 -12.368 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.781 -12.579 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.971 -11.447 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.473 -10.754 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.643 -9.622 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.877 -10.539 1.037 1.00 0.00 H new