USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 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 45 LYS NZ :NH3+ 163:sc= 2.45 (180deg=1) USER MOD Set 1.2: B 65 ASN : amide:sc= 0.98 K(o=3.4,f=-5.9!) USER MOD Set 2.1: B 56 LYS NZ :NH3+ -112:sc= 0.802 (180deg=-0.737) USER MOD Set 2.2: B 66 GLN : amide:sc= 0.256 K(o=1.1,f=-4) USER MOD Set 3.1: A 65 ASN : amide:sc= 2.14 K(o=4.5,f=-3.7) USER MOD Set 3.2: B 45 LYS NZ :NH3+ -154:sc= 2.38 (180deg=-0.437) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 1.15 (180deg=-0.711) USER MOD Single : A 38 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.17) USER MOD Single : A 40 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.8) USER MOD Single : A 46 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 64:sc= -1.11 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.926 K(o=0.93,f=-3.6!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 1.3 (180deg=0.847) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.576) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 40 ASN : amide:sc= -0.0763 K(o=-0.076,f=-2.1!) USER MOD Single : B 46 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.62) USER MOD Single : B 47 THR OG1 : rot 70:sc= 0.502 USER MOD Single : B 50 LYS NZ :NH3+ 151:sc= -0.172 (180deg=-0.829) USER MOD Single : B 53 CYS SG : rot 78:sc= -2.51! USER MOD Single : B 58 THR OG1 : rot 167:sc= 1.06 USER MOD Single : B 59 SER OG : rot 180:sc= 0.199 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.144 USER MOD Single : B 70 ASN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : B 73 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.01) USER MOD Single : B 75 ASN : amide:sc= 0.914 K(o=0.91,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.731 13.311 -4.097 1.00 0.64 N ATOM 519 CA ILE A 34 0.730 11.924 -3.667 1.00 0.59 C ATOM 520 C ILE A 34 0.879 11.009 -4.877 1.00 0.52 C ATOM 521 O ILE A 34 0.270 11.240 -5.923 1.00 0.59 O ATOM 522 CB ILE A 34 -0.556 11.582 -2.872 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.339 11.879 -1.386 1.00 1.10 C ATOM 524 CG2 ILE A 34 -0.971 10.129 -3.063 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.085 13.100 -0.893 1.00 1.67 C ATOM 0 HA ILE A 34 1.577 11.769 -2.999 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.364 12.205 -3.256 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.652 11.013 -0.802 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.727 12.018 -1.204 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -1.876 9.931 -2.489 1.00 1.06 H new ATOM 0 HG22 ILE A 34 -1.163 9.941 -4.119 1.00 1.06 H new ATOM 0 HG23 ILE A 34 -0.171 9.474 -2.717 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -0.882 13.246 0.168 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -0.755 13.977 -1.450 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.155 12.957 -1.042 1.00 1.67 H new ATOM 537 N LYS A 35 1.801 10.072 -4.772 1.00 0.50 N ATOM 538 CA LYS A 35 2.150 9.199 -5.879 1.00 0.49 C ATOM 539 C LYS A 35 1.918 7.741 -5.488 1.00 0.44 C ATOM 540 O LYS A 35 2.048 7.385 -4.321 1.00 0.47 O ATOM 541 CB LYS A 35 3.616 9.440 -6.272 1.00 0.59 C ATOM 542 CG LYS A 35 4.093 10.862 -5.998 1.00 0.92 C ATOM 543 CD LYS A 35 4.210 11.683 -7.273 1.00 1.10 C ATOM 544 CE LYS A 35 2.848 12.078 -7.824 1.00 1.08 C ATOM 545 NZ LYS A 35 2.855 13.447 -8.405 1.00 1.27 N ATOM 0 H LYS A 35 2.330 9.893 -3.918 1.00 0.50 H new ATOM 0 HA LYS A 35 1.517 9.421 -6.738 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.250 8.741 -5.726 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.740 9.222 -7.333 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.399 11.351 -5.315 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.061 10.829 -5.499 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.795 12.581 -7.073 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.753 11.110 -8.025 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.545 11.362 -8.588 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.106 12.027 -7.027 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.938 13.905 -8.226 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.613 14.007 -7.965 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.018 13.388 -9.430 1.00 1.27 H new ATOM 559 N ARG A 36 1.517 6.916 -6.447 1.00 0.52 N ATOM 560 CA ARG A 36 1.208 5.516 -6.166 1.00 0.53 C ATOM 561 C ARG A 36 2.174 4.593 -6.897 1.00 0.56 C ATOM 562 O ARG A 36 2.167 4.513 -8.129 1.00 0.76 O ATOM 563 CB ARG A 36 -0.233 5.192 -6.573 1.00 0.64 C ATOM 564 CG ARG A 36 -1.264 6.114 -5.943 1.00 1.17 C ATOM 565 CD ARG A 36 -2.274 6.605 -6.968 1.00 1.51 C ATOM 566 NE ARG A 36 -1.640 7.302 -8.089 1.00 2.02 N ATOM 567 CZ ARG A 36 -1.363 8.609 -8.096 1.00 2.75 C ATOM 568 NH1 ARG A 36 -1.688 9.368 -7.058 1.00 2.99 N ATOM 569 NH2 ARG A 36 -0.786 9.162 -9.157 1.00 3.65 N ATOM 0 H ARG A 36 1.398 7.189 -7.423 1.00 0.52 H new ATOM 0 HA ARG A 36 1.316 5.355 -5.093 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.318 5.253 -7.658 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.458 4.163 -6.293 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.783 5.587 -5.142 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.761 6.968 -5.489 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.844 5.757 -7.347 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -2.984 7.275 -6.482 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.395 6.756 -8.915 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.152 8.954 -6.249 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -1.474 10.365 -7.069 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -0.554 8.589 -9.968 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -0.575 10.160 -9.161 1.00 3.65 H new ATOM 583 N VAL A 37 3.016 3.912 -6.134 1.00 0.49 N ATOM 584 CA VAL A 37 4.013 3.013 -6.704 1.00 0.56 C ATOM 585 C VAL A 37 3.770 1.579 -6.244 1.00 0.53 C ATOM 586 O VAL A 37 3.774 1.293 -5.050 1.00 0.55 O ATOM 587 CB VAL A 37 5.444 3.451 -6.314 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.482 2.480 -6.857 1.00 1.04 C ATOM 589 CG2 VAL A 37 5.727 4.859 -6.814 1.00 1.26 C ATOM 0 H VAL A 37 3.030 3.964 -5.115 1.00 0.49 H new ATOM 0 HA VAL A 37 3.918 3.059 -7.789 1.00 0.56 H new ATOM 0 HB VAL A 37 5.510 3.446 -5.226 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.479 2.813 -6.567 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.299 1.486 -6.449 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.413 2.444 -7.944 1.00 1.04 H new ATOM 0 HG21 VAL A 37 6.738 5.150 -6.530 1.00 1.26 H new ATOM 0 HG22 VAL A 37 5.633 4.885 -7.900 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.012 5.553 -6.371 1.00 1.26 H new ATOM 599 N ASN A 38 3.540 0.687 -7.195 1.00 0.55 N ATOM 600 CA ASN A 38 3.280 -0.716 -6.888 1.00 0.56 C ATOM 601 C ASN A 38 4.409 -1.586 -7.428 1.00 0.49 C ATOM 602 O ASN A 38 4.815 -1.442 -8.584 1.00 0.57 O ATOM 603 CB ASN A 38 1.920 -1.138 -7.475 1.00 0.74 C ATOM 604 CG ASN A 38 1.901 -2.556 -8.028 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.286 -2.793 -9.175 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.420 -3.502 -7.232 1.00 1.00 N ATOM 0 H ASN A 38 3.528 0.908 -8.191 1.00 0.55 H new ATOM 0 HA ASN A 38 3.239 -0.849 -5.807 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.158 -1.050 -6.701 1.00 0.74 H new ATOM 0 HB3 ASN A 38 1.648 -0.444 -8.271 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.359 -4.465 -7.563 1.00 1.00 H new ATOM 0 HD22 ASN A 38 1.111 -3.267 -6.289 1.00 1.00 H new ATOM 613 N VAL A 39 4.983 -2.420 -6.565 1.00 0.41 N ATOM 614 CA VAL A 39 6.121 -3.256 -6.944 1.00 0.44 C ATOM 615 C VAL A 39 5.935 -4.687 -6.443 1.00 0.42 C ATOM 616 O VAL A 39 5.140 -4.934 -5.531 1.00 0.48 O ATOM 617 CB VAL A 39 7.459 -2.702 -6.391 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.622 -3.079 -7.301 1.00 1.24 C ATOM 619 CG2 VAL A 39 7.398 -1.192 -6.211 1.00 0.63 C ATOM 0 H VAL A 39 4.679 -2.536 -5.598 1.00 0.41 H new ATOM 0 HA VAL A 39 6.164 -3.247 -8.033 1.00 0.44 H new ATOM 0 HB VAL A 39 7.623 -3.155 -5.413 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.549 -2.679 -6.891 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.694 -4.165 -7.369 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.456 -2.664 -8.295 1.00 1.24 H new ATOM 0 HG21 VAL A 39 8.351 -0.833 -5.822 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.197 -0.719 -7.172 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.602 -0.941 -5.510 1.00 0.63 H new ATOM 629 N ASN A 40 6.664 -5.623 -7.046 1.00 0.46 N ATOM 630 CA ASN A 40 6.586 -7.031 -6.668 1.00 0.51 C ATOM 631 C ASN A 40 7.810 -7.443 -5.861 1.00 0.44 C ATOM 632 O ASN A 40 8.948 -7.191 -6.261 1.00 0.56 O ATOM 633 CB ASN A 40 6.482 -7.925 -7.910 1.00 0.67 C ATOM 634 CG ASN A 40 5.069 -8.405 -8.178 1.00 1.45 C ATOM 635 OD1 ASN A 40 4.567 -9.311 -7.513 1.00 2.02 O ATOM 636 ND2 ASN A 40 4.418 -7.808 -9.165 1.00 2.13 N ATOM 0 H ASN A 40 7.319 -5.429 -7.803 1.00 0.46 H new ATOM 0 HA ASN A 40 5.692 -7.157 -6.058 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.844 -7.374 -8.778 1.00 0.67 H new ATOM 0 HB3 ASN A 40 7.136 -8.788 -7.785 1.00 0.67 H new ATOM 0 HD21 ASN A 40 3.467 -8.096 -9.396 1.00 2.13 H new ATOM 0 HD22 ASN A 40 4.868 -7.061 -9.694 1.00 2.13 H new ATOM 643 N PHE A 41 7.568 -8.132 -4.758 1.00 0.40 N ATOM 644 CA PHE A 41 8.635 -8.665 -3.928 1.00 0.45 C ATOM 645 C PHE A 41 8.533 -10.180 -3.894 1.00 0.45 C ATOM 646 O PHE A 41 7.432 -10.728 -3.905 1.00 0.56 O ATOM 647 CB PHE A 41 8.549 -8.105 -2.506 1.00 0.62 C ATOM 648 CG PHE A 41 8.425 -6.609 -2.458 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.399 -5.801 -3.024 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.334 -6.012 -1.848 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.285 -4.426 -2.981 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.216 -4.637 -1.802 1.00 1.16 C ATOM 653 CZ PHE A 41 8.193 -3.844 -2.367 1.00 0.75 C ATOM 0 H PHE A 41 6.630 -8.337 -4.414 1.00 0.40 H new ATOM 0 HA PHE A 41 9.594 -8.369 -4.353 1.00 0.45 H new ATOM 0 HB2 PHE A 41 7.692 -8.549 -2.000 1.00 0.62 H new ATOM 0 HB3 PHE A 41 9.438 -8.406 -1.951 1.00 0.62 H new ATOM 0 HD1 PHE A 41 10.255 -6.252 -3.503 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.567 -6.629 -1.403 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.049 -3.806 -3.427 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.360 -4.183 -1.324 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.104 -2.768 -2.329 1.00 0.75 H new ATOM 663 N ASP A 42 9.668 -10.859 -3.877 1.00 0.45 N ATOM 664 CA ASP A 42 9.671 -12.315 -3.866 1.00 0.47 C ATOM 665 C ASP A 42 9.188 -12.855 -2.524 1.00 0.40 C ATOM 666 O ASP A 42 9.008 -12.100 -1.562 1.00 0.35 O ATOM 667 CB ASP A 42 11.059 -12.871 -4.195 1.00 0.62 C ATOM 668 CG ASP A 42 12.135 -12.430 -3.222 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.129 -12.897 -2.068 1.00 1.35 O ATOM 670 OD2 ASP A 42 13.013 -11.636 -3.623 1.00 1.38 O ATOM 0 H ASP A 42 10.594 -10.431 -3.871 1.00 0.45 H new ATOM 0 HA ASP A 42 8.979 -12.648 -4.640 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.013 -13.960 -4.203 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.339 -12.556 -5.200 1.00 0.62 H new ATOM 675 N GLU A 43 8.903 -14.148 -2.503 1.00 0.46 N ATOM 676 CA GLU A 43 8.340 -14.808 -1.329 1.00 0.48 C ATOM 677 C GLU A 43 9.204 -14.596 -0.087 1.00 0.40 C ATOM 678 O GLU A 43 8.680 -14.337 0.992 1.00 0.42 O ATOM 679 CB GLU A 43 8.172 -16.304 -1.597 1.00 0.65 C ATOM 680 CG GLU A 43 6.742 -16.707 -1.910 1.00 1.08 C ATOM 681 CD GLU A 43 5.786 -16.382 -0.781 1.00 1.04 C ATOM 682 OE1 GLU A 43 5.596 -17.238 0.109 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.233 -15.264 -0.770 1.00 1.28 O ATOM 0 H GLU A 43 9.054 -14.771 -3.296 1.00 0.46 H new ATOM 0 HA GLU A 43 7.366 -14.359 -1.136 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.812 -16.590 -2.432 1.00 0.65 H new ATOM 0 HB3 GLU A 43 8.516 -16.862 -0.726 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.415 -16.198 -2.816 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.706 -17.777 -2.115 1.00 1.08 H new ATOM 690 N GLU A 44 10.517 -14.667 -0.252 1.00 0.38 N ATOM 691 CA GLU A 44 11.443 -14.452 0.855 1.00 0.42 C ATOM 692 C GLU A 44 11.238 -13.071 1.460 1.00 0.37 C ATOM 693 O GLU A 44 10.993 -12.929 2.662 1.00 0.43 O ATOM 694 CB GLU A 44 12.883 -14.572 0.368 1.00 0.52 C ATOM 695 CG GLU A 44 13.849 -15.122 1.406 1.00 0.60 C ATOM 696 CD GLU A 44 13.262 -16.256 2.219 1.00 1.56 C ATOM 697 OE1 GLU A 44 12.910 -17.301 1.635 1.00 2.34 O ATOM 698 OE2 GLU A 44 13.153 -16.111 3.452 1.00 2.19 O ATOM 0 H GLU A 44 10.968 -14.872 -1.144 1.00 0.38 H new ATOM 0 HA GLU A 44 11.248 -15.211 1.613 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.905 -15.217 -0.510 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.230 -13.589 0.050 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.752 -15.471 0.905 1.00 0.60 H new ATOM 0 HG3 GLU A 44 14.148 -14.318 2.078 1.00 0.60 H new ATOM 705 N LYS A 45 11.324 -12.060 0.605 1.00 0.32 N ATOM 706 CA LYS A 45 11.168 -10.675 1.027 1.00 0.35 C ATOM 707 C LYS A 45 9.801 -10.438 1.635 1.00 0.30 C ATOM 708 O LYS A 45 9.659 -9.666 2.577 1.00 0.35 O ATOM 709 CB LYS A 45 11.360 -9.728 -0.157 1.00 0.39 C ATOM 710 CG LYS A 45 12.709 -9.869 -0.833 1.00 0.56 C ATOM 711 CD LYS A 45 13.229 -8.533 -1.316 1.00 0.68 C ATOM 712 CE LYS A 45 14.612 -8.250 -0.761 1.00 1.04 C ATOM 713 NZ LYS A 45 15.667 -8.402 -1.798 1.00 1.09 N ATOM 0 H LYS A 45 11.502 -12.176 -0.393 1.00 0.32 H new ATOM 0 HA LYS A 45 11.930 -10.476 1.781 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.574 -9.912 -0.890 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.241 -8.701 0.187 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.423 -10.308 -0.136 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.625 -10.554 -1.676 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.263 -8.525 -2.405 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.544 -7.742 -1.013 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.642 -7.237 -0.359 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.817 -8.928 0.067 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.539 -7.934 -1.478 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.855 -9.413 -1.957 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 15.346 -7.966 -2.686 1.00 1.09 H new ATOM 727 N HIS A 46 8.786 -11.054 1.052 1.00 0.28 N ATOM 728 CA HIS A 46 7.420 -10.819 1.495 1.00 0.31 C ATOM 729 C HIS A 46 7.119 -11.535 2.808 1.00 0.32 C ATOM 730 O HIS A 46 6.405 -11.002 3.657 1.00 0.34 O ATOM 731 CB HIS A 46 6.410 -11.229 0.431 1.00 0.38 C ATOM 732 CG HIS A 46 5.093 -10.536 0.599 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.971 -11.164 1.093 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.734 -9.249 0.377 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.981 -10.293 1.175 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.416 -9.125 0.746 1.00 0.58 N ATOM 0 H HIS A 46 8.879 -11.714 0.279 1.00 0.28 H new ATOM 0 HA HIS A 46 7.327 -9.746 1.665 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.814 -11.003 -0.556 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.258 -12.308 0.474 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.366 -8.466 -0.017 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.984 -10.503 1.533 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.864 -8.269 0.696 1.00 0.58 H new ATOM 745 N THR A 47 7.686 -12.715 2.992 1.00 0.33 N ATOM 746 CA THR A 47 7.494 -13.455 4.230 1.00 0.40 C ATOM 747 C THR A 47 8.137 -12.712 5.399 1.00 0.39 C ATOM 748 O THR A 47 7.510 -12.519 6.444 1.00 0.43 O ATOM 749 CB THR A 47 8.067 -14.885 4.131 1.00 0.47 C ATOM 750 OG1 THR A 47 7.509 -15.553 2.988 1.00 0.72 O ATOM 751 CG2 THR A 47 7.757 -15.688 5.386 1.00 0.60 C ATOM 0 H THR A 47 8.280 -13.180 2.305 1.00 0.33 H new ATOM 0 HA THR A 47 6.421 -13.535 4.404 1.00 0.40 H new ATOM 0 HB THR A 47 9.149 -14.811 4.026 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.045 -15.346 2.194 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.173 -16.691 5.288 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.199 -15.195 6.252 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.677 -15.754 5.518 1.00 0.60 H new ATOM 759 N ARG A 48 9.342 -12.194 5.172 1.00 0.35 N ATOM 760 CA ARG A 48 10.030 -11.397 6.178 1.00 0.38 C ATOM 761 C ARG A 48 9.356 -10.039 6.337 1.00 0.34 C ATOM 762 O ARG A 48 9.325 -9.481 7.432 1.00 0.38 O ATOM 763 CB ARG A 48 11.499 -11.214 5.807 1.00 0.42 C ATOM 764 CG ARG A 48 12.441 -11.494 6.963 1.00 0.73 C ATOM 765 CD ARG A 48 13.409 -10.347 7.184 1.00 0.80 C ATOM 766 NE ARG A 48 14.673 -10.546 6.473 1.00 0.90 N ATOM 767 CZ ARG A 48 15.867 -10.549 7.066 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.956 -10.539 8.393 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.973 -10.613 6.333 1.00 1.87 N ATOM 0 H ARG A 48 9.859 -12.313 4.301 1.00 0.35 H new ATOM 0 HA ARG A 48 9.975 -11.928 7.128 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.744 -11.877 4.977 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.655 -10.194 5.457 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.863 -11.663 7.871 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.999 -12.409 6.765 1.00 0.73 H new ATOM 0 HD2 ARG A 48 12.949 -9.416 6.851 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.607 -10.241 8.251 1.00 0.80 H new ATOM 0 HE ARG A 48 14.638 -10.691 5.464 1.00 0.90 H new ATOM 0 HH11 ARG A 48 15.109 -10.529 8.961 1.00 1.83 H new ATOM 0 HH12 ARG A 48 16.871 -10.541 8.843 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.909 -10.660 5.316 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.886 -10.615 6.787 1.00 1.87 H new ATOM 783 N PHE A 49 8.764 -9.552 5.252 1.00 0.32 N ATOM 784 CA PHE A 49 8.021 -8.296 5.268 1.00 0.32 C ATOM 785 C PHE A 49 6.906 -8.360 6.298 1.00 0.36 C ATOM 786 O PHE A 49 6.843 -7.540 7.210 1.00 0.39 O ATOM 787 CB PHE A 49 7.418 -8.024 3.889 1.00 0.33 C ATOM 788 CG PHE A 49 7.857 -6.735 3.259 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.100 -6.203 3.555 1.00 0.85 C ATOM 790 CD2 PHE A 49 7.033 -6.052 2.382 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.515 -5.017 2.989 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.442 -4.862 1.813 1.00 0.92 C ATOM 793 CZ PHE A 49 8.653 -4.356 2.069 1.00 0.67 C ATOM 0 H PHE A 49 8.785 -10.013 4.342 1.00 0.32 H new ATOM 0 HA PHE A 49 8.708 -7.491 5.529 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.680 -8.846 3.223 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.332 -8.019 3.977 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.753 -6.724 4.239 1.00 0.85 H new ATOM 0 HD2 PHE A 49 6.060 -6.454 2.140 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.478 -4.596 3.239 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.773 -4.332 1.151 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.976 -3.449 1.580 1.00 0.67 H new ATOM 803 N LYS A 50 6.046 -9.362 6.150 1.00 0.39 N ATOM 804 CA LYS A 50 4.920 -9.561 7.055 1.00 0.45 C ATOM 805 C LYS A 50 5.406 -9.812 8.480 1.00 0.42 C ATOM 806 O LYS A 50 4.803 -9.339 9.448 1.00 0.42 O ATOM 807 CB LYS A 50 4.060 -10.732 6.577 1.00 0.54 C ATOM 808 CG LYS A 50 3.412 -10.495 5.222 1.00 0.93 C ATOM 809 CD LYS A 50 3.159 -11.803 4.492 1.00 1.47 C ATOM 810 CE LYS A 50 1.740 -12.301 4.716 1.00 1.37 C ATOM 811 NZ LYS A 50 1.608 -13.742 4.384 1.00 2.17 N ATOM 0 H LYS A 50 6.109 -10.055 5.404 1.00 0.39 H new ATOM 0 HA LYS A 50 4.316 -8.654 7.054 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.678 -11.628 6.524 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.281 -10.925 7.315 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.470 -9.963 5.356 1.00 0.93 H new ATOM 0 HG3 LYS A 50 4.055 -9.857 4.616 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.333 -11.665 3.425 1.00 1.47 H new ATOM 0 HD3 LYS A 50 3.868 -12.556 4.836 1.00 1.47 H new ATOM 0 HE2 LYS A 50 1.457 -12.139 5.756 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.049 -11.721 4.104 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.628 -14.048 4.548 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.854 -13.892 3.385 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.249 -14.297 4.986 1.00 2.17 H new ATOM 825 N ALA A 51 6.516 -10.535 8.595 1.00 0.43 N ATOM 826 CA ALA A 51 7.105 -10.836 9.893 1.00 0.46 C ATOM 827 C ALA A 51 7.555 -9.560 10.593 1.00 0.44 C ATOM 828 O ALA A 51 7.166 -9.295 11.730 1.00 0.47 O ATOM 829 CB ALA A 51 8.276 -11.792 9.729 1.00 0.53 C ATOM 0 H ALA A 51 7.026 -10.924 7.802 1.00 0.43 H new ATOM 0 HA ALA A 51 6.346 -11.313 10.512 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.708 -12.009 10.706 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.928 -12.718 9.272 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.033 -11.335 9.092 1.00 0.53 H new ATOM 835 N ALA A 52 8.347 -8.757 9.890 1.00 0.46 N ATOM 836 CA ALA A 52 8.833 -7.493 10.431 1.00 0.53 C ATOM 837 C ALA A 52 7.674 -6.546 10.748 1.00 0.53 C ATOM 838 O ALA A 52 7.710 -5.820 11.742 1.00 0.65 O ATOM 839 CB ALA A 52 9.806 -6.845 9.463 1.00 0.58 C ATOM 0 H ALA A 52 8.666 -8.960 8.943 1.00 0.46 H new ATOM 0 HA ALA A 52 9.357 -7.702 11.364 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.161 -5.902 9.880 1.00 0.58 H new ATOM 0 HB2 ALA A 52 10.653 -7.511 9.299 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.304 -6.656 8.514 1.00 0.58 H new ATOM 845 N CYS A 53 6.614 -6.612 9.943 1.00 0.48 N ATOM 846 CA CYS A 53 5.417 -5.816 10.185 1.00 0.56 C ATOM 847 C CYS A 53 4.802 -6.169 11.537 1.00 0.49 C ATOM 848 O CYS A 53 4.363 -5.293 12.279 1.00 0.53 O ATOM 849 CB CYS A 53 4.388 -6.038 9.075 1.00 0.68 C ATOM 850 SG CYS A 53 4.897 -5.418 7.457 1.00 1.29 S ATOM 0 H CYS A 53 6.562 -7.210 9.118 1.00 0.48 H new ATOM 0 HA CYS A 53 5.707 -4.765 10.192 1.00 0.56 H new ATOM 0 HB2 CYS A 53 4.182 -7.105 8.994 1.00 0.68 H new ATOM 0 HB3 CYS A 53 3.454 -5.554 9.359 1.00 0.68 H new ATOM 0 HG CYS A 53 5.938 -6.080 7.046 1.00 1.29 H new ATOM 856 N ALA A 54 4.815 -7.448 11.877 1.00 0.45 N ATOM 857 CA ALA A 54 4.294 -7.892 13.161 1.00 0.52 C ATOM 858 C ALA A 54 5.266 -7.553 14.289 1.00 0.53 C ATOM 859 O ALA A 54 4.855 -7.262 15.413 1.00 0.63 O ATOM 860 CB ALA A 54 4.019 -9.385 13.136 1.00 0.63 C ATOM 0 H ALA A 54 5.179 -8.195 11.285 1.00 0.45 H new ATOM 0 HA ALA A 54 3.357 -7.367 13.346 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.630 -9.700 14.104 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.286 -9.607 12.361 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.944 -9.922 12.925 1.00 0.63 H new ATOM 866 N ARG A 55 6.557 -7.627 13.984 1.00 0.53 N ATOM 867 CA ARG A 55 7.609 -7.390 14.969 1.00 0.66 C ATOM 868 C ARG A 55 7.603 -5.946 15.469 1.00 0.65 C ATOM 869 O ARG A 55 7.835 -5.689 16.650 1.00 0.75 O ATOM 870 CB ARG A 55 8.980 -7.722 14.372 1.00 0.77 C ATOM 871 CG ARG A 55 9.547 -9.047 14.849 1.00 1.38 C ATOM 872 CD ARG A 55 10.988 -9.233 14.400 1.00 1.87 C ATOM 873 NE ARG A 55 11.937 -8.897 15.461 1.00 2.37 N ATOM 874 CZ ARG A 55 13.246 -8.726 15.272 1.00 2.79 C ATOM 875 NH1 ARG A 55 13.782 -8.953 14.080 1.00 2.91 N ATOM 876 NH2 ARG A 55 14.015 -8.344 16.285 1.00 3.58 N ATOM 0 H ARG A 55 6.904 -7.852 13.052 1.00 0.53 H new ATOM 0 HA ARG A 55 7.412 -8.043 15.819 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.898 -7.742 13.285 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.679 -6.925 14.625 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.495 -9.095 15.937 1.00 1.38 H new ATOM 0 HG3 ARG A 55 8.937 -9.864 14.464 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.141 -10.267 14.090 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.181 -8.607 13.529 1.00 1.87 H new ATOM 0 HE ARG A 55 11.574 -8.786 16.408 1.00 2.37 H new ATOM 0 HH11 ARG A 55 13.193 -9.259 13.306 1.00 2.91 H new ATOM 0 HH12 ARG A 55 14.783 -8.822 13.938 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.604 -8.182 17.204 1.00 3.58 H new ATOM 0 HH22 ARG A 55 15.017 -8.212 16.144 1.00 3.58 H new ATOM 890 N LYS A 56 7.431 -5.000 14.555 1.00 0.59 N ATOM 891 CA LYS A 56 7.512 -3.586 14.909 1.00 0.64 C ATOM 892 C LYS A 56 6.131 -2.952 15.026 1.00 0.54 C ATOM 893 O LYS A 56 6.013 -1.745 15.257 1.00 0.67 O ATOM 894 CB LYS A 56 8.340 -2.820 13.873 1.00 0.71 C ATOM 895 CG LYS A 56 9.448 -3.641 13.233 1.00 1.15 C ATOM 896 CD LYS A 56 10.204 -2.837 12.191 1.00 1.46 C ATOM 897 CE LYS A 56 11.620 -2.539 12.651 1.00 2.01 C ATOM 898 NZ LYS A 56 11.744 -1.172 13.216 1.00 2.32 N ATOM 0 H LYS A 56 7.236 -5.182 13.570 1.00 0.59 H new ATOM 0 HA LYS A 56 7.999 -3.525 15.882 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.675 -2.455 13.090 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.781 -1.945 14.351 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.140 -3.983 14.003 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.022 -4.531 12.769 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.232 -3.389 11.252 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.678 -1.903 11.996 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.919 -3.270 13.402 1.00 2.01 H new ATOM 0 HE3 LYS A 56 12.305 -2.647 11.810 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 12.726 -1.009 13.518 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 11.484 -0.472 12.492 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 11.110 -1.076 14.034 1.00 2.32 H new ATOM 912 N GLY A 57 5.093 -3.752 14.809 1.00 0.48 N ATOM 913 CA GLY A 57 3.736 -3.233 14.832 1.00 0.47 C ATOM 914 C GLY A 57 3.492 -2.278 13.682 1.00 0.51 C ATOM 915 O GLY A 57 2.966 -1.181 13.866 1.00 0.58 O ATOM 0 H GLY A 57 5.166 -4.751 14.617 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.027 -4.059 14.778 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.556 -2.721 15.777 1.00 0.47 H new ATOM 919 N THR A 58 4.013 -2.647 12.529 1.00 0.59 N ATOM 920 CA THR A 58 4.002 -1.793 11.362 1.00 0.73 C ATOM 921 C THR A 58 2.962 -2.248 10.345 1.00 0.56 C ATOM 922 O THR A 58 2.757 -3.449 10.143 1.00 0.53 O ATOM 923 CB THR A 58 5.385 -1.817 10.693 1.00 1.06 C ATOM 924 OG1 THR A 58 6.203 -2.824 11.312 1.00 2.01 O ATOM 925 CG2 THR A 58 6.077 -0.470 10.798 1.00 0.61 C ATOM 0 H THR A 58 4.458 -3.552 12.376 1.00 0.59 H new ATOM 0 HA THR A 58 3.751 -0.785 11.692 1.00 0.73 H new ATOM 0 HB THR A 58 5.244 -2.046 9.637 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.084 -2.839 10.883 1.00 2.01 H new ATOM 0 HG21 THR A 58 7.052 -0.523 10.314 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.470 0.290 10.307 1.00 0.61 H new ATOM 0 HG23 THR A 58 6.207 -0.208 11.848 1.00 0.61 H new ATOM 933 N SER A 59 2.412 -1.292 9.614 1.00 0.55 N ATOM 934 CA SER A 59 1.535 -1.594 8.497 1.00 0.50 C ATOM 935 C SER A 59 2.379 -1.889 7.261 1.00 0.44 C ATOM 936 O SER A 59 3.439 -1.292 7.088 1.00 0.43 O ATOM 937 CB SER A 59 0.601 -0.414 8.238 1.00 0.61 C ATOM 938 OG SER A 59 0.474 0.393 9.399 1.00 0.72 O ATOM 0 H SER A 59 2.559 -0.296 9.776 1.00 0.55 H new ATOM 0 HA SER A 59 0.929 -2.469 8.731 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.986 0.186 7.413 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.380 -0.780 7.935 1.00 0.61 H new ATOM 0 HG SER A 59 -0.127 1.144 9.211 1.00 0.72 H new ATOM 944 N ILE A 60 1.979 -2.888 6.480 1.00 0.46 N ATOM 945 CA ILE A 60 2.777 -3.334 5.338 1.00 0.50 C ATOM 946 C ILE A 60 3.056 -2.188 4.363 1.00 0.47 C ATOM 947 O ILE A 60 4.186 -2.020 3.907 1.00 0.50 O ATOM 948 CB ILE A 60 2.118 -4.524 4.590 1.00 0.61 C ATOM 949 CG1 ILE A 60 2.947 -4.916 3.363 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.687 -4.200 4.183 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.556 -6.297 3.462 1.00 0.96 C ATOM 0 H ILE A 60 1.110 -3.404 6.615 1.00 0.46 H new ATOM 0 HA ILE A 60 3.727 -3.680 5.746 1.00 0.50 H new ATOM 0 HB ILE A 60 2.088 -5.370 5.276 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.314 -4.869 2.477 1.00 0.99 H new ATOM 0 HG13 ILE A 60 3.744 -4.185 3.224 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.255 -5.054 3.662 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.096 -3.981 5.073 1.00 1.01 H new ATOM 0 HG23 ILE A 60 0.684 -3.333 3.523 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.129 -6.508 2.559 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.215 -6.343 4.329 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.763 -7.037 3.570 1.00 0.96 H new ATOM 963 N THR A 61 2.056 -1.349 4.121 1.00 0.45 N ATOM 964 CA THR A 61 2.227 -0.192 3.253 1.00 0.45 C ATOM 965 C THR A 61 3.217 0.802 3.863 1.00 0.42 C ATOM 966 O THR A 61 4.126 1.288 3.187 1.00 0.41 O ATOM 967 CB THR A 61 0.883 0.516 2.998 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.127 -0.455 2.688 1.00 0.68 O ATOM 969 CG2 THR A 61 0.999 1.525 1.860 1.00 0.77 C ATOM 0 H THR A 61 1.120 -1.449 4.513 1.00 0.45 H new ATOM 0 HA THR A 61 2.620 -0.553 2.303 1.00 0.45 H new ATOM 0 HB THR A 61 0.605 1.056 3.903 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.980 -0.000 2.528 1.00 0.68 H new ATOM 0 HG21 THR A 61 0.035 2.009 1.703 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.745 2.277 2.115 1.00 0.77 H new ATOM 0 HG23 THR A 61 1.300 1.011 0.947 1.00 0.77 H new ATOM 977 N ASP A 62 3.059 1.056 5.155 1.00 0.42 N ATOM 978 CA ASP A 62 3.940 1.965 5.880 1.00 0.42 C ATOM 979 C ASP A 62 5.361 1.409 5.943 1.00 0.36 C ATOM 980 O ASP A 62 6.336 2.158 5.902 1.00 0.35 O ATOM 981 CB ASP A 62 3.399 2.203 7.292 1.00 0.47 C ATOM 982 CG ASP A 62 4.322 3.052 8.143 1.00 0.61 C ATOM 983 OD1 ASP A 62 4.454 4.264 7.863 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.898 2.519 9.111 1.00 1.06 O ATOM 0 H ASP A 62 2.323 0.642 5.727 1.00 0.42 H new ATOM 0 HA ASP A 62 3.971 2.915 5.347 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.426 2.689 7.225 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.243 1.242 7.782 1.00 0.47 H new ATOM 989 N VAL A 63 5.464 0.085 5.987 1.00 0.34 N ATOM 990 CA VAL A 63 6.751 -0.597 6.017 1.00 0.32 C ATOM 991 C VAL A 63 7.552 -0.285 4.757 1.00 0.31 C ATOM 992 O VAL A 63 8.722 0.094 4.839 1.00 0.35 O ATOM 993 CB VAL A 63 6.569 -2.129 6.183 1.00 0.36 C ATOM 994 CG1 VAL A 63 7.462 -2.927 5.238 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.834 -2.534 7.620 1.00 0.66 C ATOM 0 H VAL A 63 4.660 -0.543 6.003 1.00 0.34 H new ATOM 0 HA VAL A 63 7.306 -0.230 6.880 1.00 0.32 H new ATOM 0 HB VAL A 63 5.536 -2.361 5.923 1.00 0.36 H new ATOM 0 HG11 VAL A 63 7.296 -3.993 5.394 1.00 0.68 H new ATOM 0 HG12 VAL A 63 7.222 -2.670 4.206 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.507 -2.689 5.437 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.703 -3.611 7.724 1.00 0.66 H new ATOM 0 HG22 VAL A 63 7.855 -2.264 7.892 1.00 0.66 H new ATOM 0 HG23 VAL A 63 6.135 -2.018 8.278 1.00 0.66 H new ATOM 1005 N VAL A 64 6.905 -0.390 3.598 1.00 0.29 N ATOM 1006 CA VAL A 64 7.568 -0.079 2.342 1.00 0.29 C ATOM 1007 C VAL A 64 7.965 1.388 2.308 1.00 0.31 C ATOM 1008 O VAL A 64 9.078 1.730 1.924 1.00 0.34 O ATOM 1009 CB VAL A 64 6.688 -0.387 1.113 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.552 -0.575 -0.126 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.833 -1.620 1.345 1.00 0.38 C ATOM 0 H VAL A 64 5.933 -0.685 3.506 1.00 0.29 H new ATOM 0 HA VAL A 64 8.451 -0.716 2.290 1.00 0.29 H new ATOM 0 HB VAL A 64 6.024 0.463 0.956 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.916 -0.792 -0.984 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.119 0.336 -0.316 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.241 -1.405 0.033 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.224 -1.812 0.462 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.477 -2.479 1.535 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.184 -1.456 2.205 1.00 0.38 H new ATOM 1021 N ASN A 65 7.078 2.244 2.784 1.00 0.32 N ATOM 1022 CA ASN A 65 7.360 3.670 2.835 1.00 0.35 C ATOM 1023 C ASN A 65 8.582 3.954 3.699 1.00 0.38 C ATOM 1024 O ASN A 65 9.398 4.815 3.368 1.00 0.40 O ATOM 1025 CB ASN A 65 6.158 4.441 3.368 1.00 0.40 C ATOM 1026 CG ASN A 65 5.744 5.560 2.438 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.588 6.240 1.851 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.447 5.760 2.298 1.00 0.48 N ATOM 0 H ASN A 65 6.159 1.979 3.140 1.00 0.32 H new ATOM 0 HA ASN A 65 7.568 4.002 1.818 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.321 3.757 3.507 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.398 4.854 4.348 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.109 6.501 1.685 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.783 5.173 2.803 1.00 0.48 H new ATOM 1035 N GLN A 66 8.713 3.204 4.789 1.00 0.39 N ATOM 1036 CA GLN A 66 9.836 3.359 5.705 1.00 0.42 C ATOM 1037 C GLN A 66 11.161 3.044 5.013 1.00 0.40 C ATOM 1038 O GLN A 66 12.121 3.810 5.121 1.00 0.44 O ATOM 1039 CB GLN A 66 9.656 2.455 6.928 1.00 0.44 C ATOM 1040 CG GLN A 66 10.435 2.919 8.147 1.00 0.87 C ATOM 1041 CD GLN A 66 10.557 1.843 9.209 1.00 1.45 C ATOM 1042 OE1 GLN A 66 11.557 1.126 9.274 1.00 2.20 O ATOM 1043 NE2 GLN A 66 9.542 1.717 10.050 1.00 1.61 N ATOM 0 H GLN A 66 8.050 2.478 5.060 1.00 0.39 H new ATOM 0 HA GLN A 66 9.860 4.399 6.031 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.597 2.407 7.181 1.00 0.44 H new ATOM 0 HB3 GLN A 66 9.969 1.443 6.671 1.00 0.44 H new ATOM 0 HG2 GLN A 66 11.432 3.233 7.838 1.00 0.87 H new ATOM 0 HG3 GLN A 66 9.944 3.793 8.576 1.00 0.87 H new ATOM 0 HE21 GLN A 66 8.730 2.329 9.965 1.00 1.61 H new ATOM 0 HE22 GLN A 66 9.572 1.008 10.783 1.00 1.61 H new ATOM 1052 N LEU A 67 11.217 1.919 4.304 1.00 0.36 N ATOM 1053 CA LEU A 67 12.449 1.524 3.628 1.00 0.35 C ATOM 1054 C LEU A 67 12.764 2.463 2.469 1.00 0.31 C ATOM 1055 O LEU A 67 13.926 2.805 2.250 1.00 0.32 O ATOM 1056 CB LEU A 67 12.394 0.077 3.131 1.00 0.38 C ATOM 1057 CG LEU A 67 11.029 -0.424 2.680 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.982 -0.535 1.170 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.724 -1.769 3.313 1.00 1.01 C ATOM 0 H LEU A 67 10.436 1.274 4.184 1.00 0.36 H new ATOM 0 HA LEU A 67 13.248 1.594 4.366 1.00 0.35 H new ATOM 0 HB2 LEU A 67 13.090 -0.027 2.298 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.752 -0.574 3.929 1.00 0.38 H new ATOM 0 HG LEU A 67 10.274 0.293 3.002 1.00 0.63 H new ATOM 0 HD11 LEU A 67 10.000 -0.894 0.862 1.00 1.04 H new ATOM 0 HD12 LEU A 67 11.165 0.444 0.727 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.747 -1.235 0.833 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.745 -2.114 2.981 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.484 -2.492 3.015 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.724 -1.669 4.398 1.00 1.01 H new ATOM 1071 N VAL A 68 11.728 2.926 1.769 1.00 0.29 N ATOM 1072 CA VAL A 68 11.920 3.880 0.679 1.00 0.28 C ATOM 1073 C VAL A 68 12.457 5.193 1.222 1.00 0.30 C ATOM 1074 O VAL A 68 13.429 5.733 0.704 1.00 0.32 O ATOM 1075 CB VAL A 68 10.628 4.176 -0.111 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.938 5.082 -1.294 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.968 2.897 -0.587 1.00 0.69 C ATOM 0 H VAL A 68 10.758 2.659 1.935 1.00 0.29 H new ATOM 0 HA VAL A 68 12.630 3.414 -0.004 1.00 0.28 H new ATOM 0 HB VAL A 68 9.931 4.683 0.556 1.00 0.28 H new ATOM 0 HG11 VAL A 68 10.021 5.286 -1.846 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.360 6.020 -0.933 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.655 4.590 -1.951 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.061 3.140 -1.140 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.654 2.353 -1.236 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.714 2.277 0.273 1.00 0.69 H new ATOM 1087 N ASP A 69 11.836 5.672 2.297 1.00 0.33 N ATOM 1088 CA ASP A 69 12.258 6.910 2.951 1.00 0.39 C ATOM 1089 C ASP A 69 13.713 6.820 3.383 1.00 0.36 C ATOM 1090 O ASP A 69 14.505 7.730 3.141 1.00 0.37 O ATOM 1091 CB ASP A 69 11.378 7.188 4.168 1.00 0.50 C ATOM 1092 CG ASP A 69 11.079 8.661 4.348 1.00 0.74 C ATOM 1093 OD1 ASP A 69 10.464 9.263 3.439 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.468 9.227 5.388 1.00 1.33 O ATOM 0 H ASP A 69 11.034 5.219 2.736 1.00 0.33 H new ATOM 0 HA ASP A 69 12.154 7.726 2.236 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.441 6.641 4.066 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.872 6.810 5.063 1.00 0.50 H new ATOM 1099 N ASN A 70 14.062 5.684 3.973 1.00 0.35 N ATOM 1100 CA ASN A 70 15.426 5.424 4.415 1.00 0.37 C ATOM 1101 C ASN A 70 16.394 5.422 3.230 1.00 0.33 C ATOM 1102 O ASN A 70 17.336 6.207 3.193 1.00 0.40 O ATOM 1103 CB ASN A 70 15.481 4.085 5.163 1.00 0.44 C ATOM 1104 CG ASN A 70 16.894 3.553 5.348 1.00 0.89 C ATOM 1105 OD1 ASN A 70 17.790 4.265 5.805 1.00 0.95 O ATOM 1106 ND2 ASN A 70 17.095 2.286 5.014 1.00 1.69 N ATOM 0 H ASN A 70 13.411 4.921 4.158 1.00 0.35 H new ATOM 0 HA ASN A 70 15.733 6.221 5.092 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.015 4.204 6.141 1.00 0.44 H new ATOM 0 HB3 ASN A 70 14.892 3.348 4.617 1.00 0.44 H new ATOM 0 HD21 ASN A 70 18.018 1.868 5.132 1.00 1.69 H new ATOM 0 HD22 ASN A 70 16.327 1.729 4.639 1.00 1.69 H new ATOM 1113 N TRP A 71 16.132 4.561 2.253 1.00 0.30 N ATOM 1114 CA TRP A 71 16.979 4.455 1.067 1.00 0.36 C ATOM 1115 C TRP A 71 17.113 5.794 0.354 1.00 0.35 C ATOM 1116 O TRP A 71 18.219 6.232 0.026 1.00 0.40 O ATOM 1117 CB TRP A 71 16.389 3.429 0.096 1.00 0.42 C ATOM 1118 CG TRP A 71 17.264 3.135 -1.087 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.210 2.157 -1.167 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.262 3.799 -2.363 1.00 0.58 C ATOM 1121 NE1 TRP A 71 18.817 2.189 -2.398 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.251 3.179 -3.152 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.529 4.858 -2.917 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 18.528 3.579 -4.458 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 16.807 5.250 -4.220 1.00 0.73 C ATOM 1126 CH2 TRP A 71 17.798 4.610 -4.977 1.00 0.77 C ATOM 0 H TRP A 71 15.336 3.923 2.258 1.00 0.30 H new ATOM 0 HA TRP A 71 17.969 4.137 1.395 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.200 2.501 0.635 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.425 3.793 -0.260 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.447 1.459 -0.378 1.00 0.63 H new ATOM 0 HE1 TRP A 71 19.570 1.572 -2.702 1.00 0.72 H new ATOM 0 HE3 TRP A 71 15.764 5.359 -2.342 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 19.295 3.090 -5.040 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.249 6.064 -4.659 1.00 0.73 H new ATOM 0 HH2 TRP A 71 17.988 4.938 -5.988 1.00 0.77 H new ATOM 1137 N LEU A 72 15.973 6.374 0.021 1.00 0.36 N ATOM 1138 CA LEU A 72 15.921 7.587 -0.773 1.00 0.42 C ATOM 1139 C LEU A 72 16.740 8.701 -0.146 1.00 0.49 C ATOM 1140 O LEU A 72 17.588 9.295 -0.796 1.00 0.61 O ATOM 1141 CB LEU A 72 14.472 8.048 -0.923 1.00 0.45 C ATOM 1142 CG LEU A 72 14.100 8.615 -2.292 1.00 0.42 C ATOM 1143 CD1 LEU A 72 13.192 7.648 -3.032 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.423 9.968 -2.134 1.00 1.38 C ATOM 0 H LEU A 72 15.058 6.016 0.294 1.00 0.36 H new ATOM 0 HA LEU A 72 16.344 7.361 -1.752 1.00 0.42 H new ATOM 0 HB2 LEU A 72 13.817 7.204 -0.709 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.271 8.808 -0.168 1.00 0.45 H new ATOM 0 HG LEU A 72 15.010 8.750 -2.876 1.00 0.42 H new ATOM 0 HD11 LEU A 72 12.934 8.064 -4.006 1.00 1.23 H new ATOM 0 HD12 LEU A 72 13.707 6.697 -3.168 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.282 7.488 -2.453 1.00 1.23 H new ATOM 0 HD21 LEU A 72 13.163 10.362 -3.117 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.518 9.855 -1.537 1.00 1.38 H new ATOM 0 HD23 LEU A 72 14.102 10.659 -1.635 1.00 1.38 H new ATOM 1156 N LYS A 73 16.410 9.045 1.079 1.00 0.51 N ATOM 1157 CA LYS A 73 16.988 10.217 1.710 1.00 0.64 C ATOM 1158 C LYS A 73 18.364 9.944 2.309 1.00 0.63 C ATOM 1159 O LYS A 73 19.079 10.881 2.668 1.00 0.74 O ATOM 1160 CB LYS A 73 16.016 10.752 2.750 1.00 0.82 C ATOM 1161 CG LYS A 73 14.636 10.997 2.160 1.00 0.97 C ATOM 1162 CD LYS A 73 13.538 10.770 3.181 1.00 1.32 C ATOM 1163 CE LYS A 73 13.527 11.854 4.245 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.130 11.315 5.570 1.00 1.42 N ATOM 0 H LYS A 73 15.746 8.533 1.660 1.00 0.51 H new ATOM 0 HA LYS A 73 17.150 10.975 0.944 1.00 0.64 H new ATOM 0 HB2 LYS A 73 15.938 10.043 3.574 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.404 11.682 3.166 1.00 0.82 H new ATOM 0 HG2 LYS A 73 14.577 12.019 1.785 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.482 10.335 1.308 1.00 0.97 H new ATOM 0 HD2 LYS A 73 12.572 10.745 2.677 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.676 9.798 3.654 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.517 12.304 4.317 1.00 1.19 H new ATOM 0 HE3 LYS A 73 12.837 12.645 3.952 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.493 11.988 6.042 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.640 10.406 5.443 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.978 11.172 6.155 1.00 1.42 H new ATOM 1178 N GLU A 74 18.778 8.685 2.333 1.00 0.60 N ATOM 1179 CA GLU A 74 20.122 8.352 2.790 1.00 0.77 C ATOM 1180 C GLU A 74 21.123 8.440 1.641 1.00 0.85 C ATOM 1181 O GLU A 74 22.329 8.557 1.868 1.00 1.00 O ATOM 1182 CB GLU A 74 20.163 6.951 3.401 1.00 0.93 C ATOM 1183 CG GLU A 74 20.230 6.950 4.921 1.00 1.00 C ATOM 1184 CD GLU A 74 21.301 7.877 5.461 1.00 1.39 C ATOM 1185 OE1 GLU A 74 22.498 7.605 5.236 1.00 1.30 O ATOM 1186 OE2 GLU A 74 20.954 8.887 6.103 1.00 2.41 O ATOM 0 H GLU A 74 18.212 7.886 2.046 1.00 0.60 H new ATOM 0 HA GLU A 74 20.397 9.077 3.556 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.277 6.400 3.085 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.028 6.417 3.007 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.262 7.247 5.323 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.423 5.936 5.271 1.00 1.00 H new ATOM 1719 N LYS B 33 5.299 -16.999 -6.301 1.00 1.35 N ATOM 1720 CA LYS B 33 6.637 -16.693 -5.802 1.00 0.80 C ATOM 1721 C LYS B 33 6.881 -15.188 -5.711 1.00 0.59 C ATOM 1722 O LYS B 33 7.901 -14.749 -5.176 1.00 0.58 O ATOM 1723 CB LYS B 33 7.698 -17.340 -6.697 1.00 1.23 C ATOM 1724 CG LYS B 33 7.734 -16.784 -8.111 1.00 2.23 C ATOM 1725 CD LYS B 33 8.471 -17.716 -9.057 1.00 3.13 C ATOM 1726 CE LYS B 33 9.539 -16.978 -9.848 1.00 4.15 C ATOM 1727 NZ LYS B 33 9.151 -16.799 -11.272 1.00 4.99 N ATOM 0 HA LYS B 33 6.711 -17.104 -4.795 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.678 -17.204 -6.239 1.00 1.23 H new ATOM 0 HB3 LYS B 33 7.514 -18.413 -6.744 1.00 1.23 H new ATOM 0 HG2 LYS B 33 6.716 -16.631 -8.469 1.00 2.23 H new ATOM 0 HG3 LYS B 33 8.220 -15.809 -8.107 1.00 2.23 H new ATOM 0 HD2 LYS B 33 8.931 -18.524 -8.488 1.00 3.13 H new ATOM 0 HD3 LYS B 33 7.760 -18.175 -9.744 1.00 3.13 H new ATOM 0 HE2 LYS B 33 9.717 -16.003 -9.395 1.00 4.15 H new ATOM 0 HE3 LYS B 33 10.477 -17.530 -9.794 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 9.906 -16.292 -11.776 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 9.006 -17.730 -11.712 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 8.269 -16.250 -11.325 1.00 4.99 H new ATOM 1741 N ILE B 34 5.930 -14.404 -6.201 1.00 0.67 N ATOM 1742 CA ILE B 34 6.028 -12.951 -6.125 1.00 0.59 C ATOM 1743 C ILE B 34 4.771 -12.363 -5.504 1.00 0.57 C ATOM 1744 O ILE B 34 3.653 -12.777 -5.819 1.00 0.68 O ATOM 1745 CB ILE B 34 6.249 -12.292 -7.507 1.00 0.78 C ATOM 1746 CG1 ILE B 34 5.864 -13.244 -8.641 1.00 1.38 C ATOM 1747 CG2 ILE B 34 7.695 -11.836 -7.654 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.235 -12.538 -9.823 1.00 1.92 C ATOM 0 H ILE B 34 5.084 -14.748 -6.654 1.00 0.67 H new ATOM 0 HA ILE B 34 6.898 -12.738 -5.503 1.00 0.59 H new ATOM 0 HB ILE B 34 5.601 -11.418 -7.572 1.00 0.78 H new ATOM 0 HG12 ILE B 34 6.753 -13.778 -8.976 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.168 -13.991 -8.259 1.00 1.38 H new ATOM 0 HG21 ILE B 34 7.833 -11.375 -8.632 1.00 1.45 H new ATOM 0 HG22 ILE B 34 7.929 -11.111 -6.874 1.00 1.45 H new ATOM 0 HG23 ILE B 34 8.359 -12.696 -7.561 1.00 1.45 H new ATOM 0 HD11 ILE B 34 4.985 -13.269 -10.592 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.328 -12.026 -9.501 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.938 -11.810 -10.228 1.00 1.92 H new ATOM 1760 N LYS B 35 4.968 -11.403 -4.620 1.00 0.54 N ATOM 1761 CA LYS B 35 3.875 -10.732 -3.941 1.00 0.58 C ATOM 1762 C LYS B 35 4.022 -9.226 -4.114 1.00 0.59 C ATOM 1763 O LYS B 35 5.115 -8.691 -3.950 1.00 0.67 O ATOM 1764 CB LYS B 35 3.880 -11.103 -2.459 1.00 0.70 C ATOM 1765 CG LYS B 35 3.916 -12.602 -2.199 1.00 0.94 C ATOM 1766 CD LYS B 35 2.522 -13.181 -2.038 1.00 1.25 C ATOM 1767 CE LYS B 35 2.354 -14.461 -2.840 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.979 -15.628 -2.163 1.00 1.30 N ATOM 0 H LYS B 35 5.892 -11.066 -4.352 1.00 0.54 H new ATOM 0 HA LYS B 35 2.926 -11.048 -4.374 1.00 0.58 H new ATOM 0 HB2 LYS B 35 4.744 -10.640 -1.982 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.992 -10.683 -1.986 1.00 0.70 H new ATOM 0 HG2 LYS B 35 4.424 -13.102 -3.024 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.498 -12.801 -1.299 1.00 0.94 H new ATOM 0 HD2 LYS B 35 2.330 -13.383 -0.984 1.00 1.25 H new ATOM 0 HD3 LYS B 35 1.783 -12.448 -2.362 1.00 1.25 H new ATOM 0 HE2 LYS B 35 1.293 -14.656 -2.993 1.00 1.12 H new ATOM 0 HE3 LYS B 35 2.800 -14.332 -3.826 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.507 -16.192 -2.860 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.629 -15.293 -1.424 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 2.238 -16.217 -1.731 1.00 1.30 H new ATOM 1782 N ARG B 36 2.959 -8.564 -4.541 1.00 0.63 N ATOM 1783 CA ARG B 36 3.039 -7.149 -4.881 1.00 0.65 C ATOM 1784 C ARG B 36 2.431 -6.267 -3.799 1.00 0.63 C ATOM 1785 O ARG B 36 1.417 -6.614 -3.190 1.00 0.77 O ATOM 1786 CB ARG B 36 2.344 -6.882 -6.217 1.00 0.72 C ATOM 1787 CG ARG B 36 0.863 -7.223 -6.222 1.00 1.52 C ATOM 1788 CD ARG B 36 0.579 -8.432 -7.093 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.765 -8.966 -6.871 1.00 2.61 N ATOM 1790 CZ ARG B 36 -1.193 -10.129 -7.360 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.354 -10.931 -8.003 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -2.450 -10.515 -7.166 1.00 4.33 N ATOM 0 H ARG B 36 2.035 -8.979 -4.661 1.00 0.63 H new ATOM 0 HA ARG B 36 4.096 -6.897 -4.963 1.00 0.65 H new ATOM 0 HB2 ARG B 36 2.465 -5.830 -6.474 1.00 0.72 H new ATOM 0 HB3 ARG B 36 2.842 -7.460 -6.996 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.529 -7.420 -5.203 1.00 1.52 H new ATOM 0 HG3 ARG B 36 0.292 -6.368 -6.585 1.00 1.52 H new ATOM 0 HD2 ARG B 36 0.691 -8.157 -8.142 1.00 1.83 H new ATOM 0 HD3 ARG B 36 1.316 -9.208 -6.887 1.00 1.83 H new ATOM 0 HE ARG B 36 -1.413 -8.415 -6.308 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.621 -10.658 -8.124 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -0.684 -11.821 -8.376 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -3.091 -9.920 -6.641 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -2.774 -11.406 -7.542 1.00 4.33 H new ATOM 1806 N VAL B 37 3.042 -5.105 -3.600 1.00 0.53 N ATOM 1807 CA VAL B 37 2.560 -4.114 -2.642 1.00 0.56 C ATOM 1808 C VAL B 37 2.568 -2.733 -3.289 1.00 0.49 C ATOM 1809 O VAL B 37 3.486 -2.401 -4.044 1.00 0.49 O ATOM 1810 CB VAL B 37 3.425 -4.070 -1.356 1.00 0.71 C ATOM 1811 CG1 VAL B 37 2.697 -3.331 -0.240 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.804 -5.469 -0.901 1.00 1.36 C ATOM 0 H VAL B 37 3.886 -4.822 -4.098 1.00 0.53 H new ATOM 0 HA VAL B 37 1.548 -4.403 -2.358 1.00 0.56 H new ATOM 0 HB VAL B 37 4.341 -3.529 -1.592 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.322 -3.312 0.652 1.00 0.92 H new ATOM 0 HG12 VAL B 37 2.487 -2.310 -0.557 1.00 0.92 H new ATOM 0 HG13 VAL B 37 1.760 -3.842 -0.016 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.410 -5.406 0.003 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.900 -6.041 -0.692 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.374 -5.965 -1.686 1.00 1.36 H new ATOM 1822 N ASN B 38 1.554 -1.934 -2.992 1.00 0.54 N ATOM 1823 CA ASN B 38 1.475 -0.571 -3.512 1.00 0.54 C ATOM 1824 C ASN B 38 1.704 0.428 -2.386 1.00 0.52 C ATOM 1825 O ASN B 38 1.126 0.297 -1.305 1.00 0.60 O ATOM 1826 CB ASN B 38 0.114 -0.313 -4.172 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.144 1.163 -4.430 1.00 0.92 C ATOM 1828 OD1 ASN B 38 0.378 1.740 -5.383 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -0.962 1.779 -3.589 1.00 1.37 N ATOM 0 H ASN B 38 0.773 -2.203 -2.394 1.00 0.54 H new ATOM 0 HA ASN B 38 2.250 -0.447 -4.268 1.00 0.54 H new ATOM 0 HB2 ASN B 38 0.064 -0.857 -5.115 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -0.676 -0.709 -3.533 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.179 2.767 -3.720 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -1.375 1.265 -2.811 1.00 1.37 H new ATOM 1836 N VAL B 39 2.586 1.385 -2.621 1.00 0.48 N ATOM 1837 CA VAL B 39 2.934 2.367 -1.605 1.00 0.49 C ATOM 1838 C VAL B 39 2.432 3.758 -1.974 1.00 0.46 C ATOM 1839 O VAL B 39 2.225 4.068 -3.153 1.00 0.48 O ATOM 1840 CB VAL B 39 4.459 2.438 -1.375 1.00 0.54 C ATOM 1841 CG1 VAL B 39 4.772 2.465 0.112 1.00 0.77 C ATOM 1842 CG2 VAL B 39 5.175 1.275 -2.050 1.00 0.54 C ATOM 0 H VAL B 39 3.076 1.504 -3.508 1.00 0.48 H new ATOM 0 HA VAL B 39 2.448 2.038 -0.687 1.00 0.49 H new ATOM 0 HB VAL B 39 4.823 3.361 -1.826 1.00 0.54 H new ATOM 0 HG11 VAL B 39 5.851 2.515 0.256 1.00 0.77 H new ATOM 0 HG12 VAL B 39 4.304 3.339 0.566 1.00 0.77 H new ATOM 0 HG13 VAL B 39 4.385 1.561 0.582 1.00 0.77 H new ATOM 0 HG21 VAL B 39 6.247 1.354 -1.870 1.00 0.54 H new ATOM 0 HG22 VAL B 39 4.806 0.334 -1.641 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.985 1.304 -3.123 1.00 0.54 H new ATOM 1852 N ASN B 40 2.318 4.610 -0.963 1.00 0.52 N ATOM 1853 CA ASN B 40 1.914 5.998 -1.152 1.00 0.57 C ATOM 1854 C ASN B 40 3.133 6.903 -1.022 1.00 0.56 C ATOM 1855 O ASN B 40 3.724 7.015 0.050 1.00 0.72 O ATOM 1856 CB ASN B 40 0.857 6.380 -0.112 1.00 0.77 C ATOM 1857 CG ASN B 40 0.174 7.700 -0.425 1.00 1.47 C ATOM 1858 OD1 ASN B 40 0.762 8.770 -0.275 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -1.085 7.633 -0.830 1.00 1.99 N ATOM 0 H ASN B 40 2.502 4.360 0.008 1.00 0.52 H new ATOM 0 HA ASN B 40 1.484 6.119 -2.146 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.106 5.592 -0.057 1.00 0.77 H new ATOM 0 HB3 ASN B 40 1.326 6.443 0.870 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.603 8.489 -1.030 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -1.537 6.726 -0.942 1.00 1.99 H new ATOM 1866 N PHE B 41 3.554 7.473 -2.133 1.00 0.48 N ATOM 1867 CA PHE B 41 4.782 8.253 -2.168 1.00 0.55 C ATOM 1868 C PHE B 41 4.481 9.743 -2.182 1.00 0.60 C ATOM 1869 O PHE B 41 3.439 10.176 -2.664 1.00 0.76 O ATOM 1870 CB PHE B 41 5.599 7.902 -3.419 1.00 0.66 C ATOM 1871 CG PHE B 41 6.466 6.678 -3.287 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.256 5.754 -2.277 1.00 1.04 C ATOM 1873 CD2 PHE B 41 7.488 6.452 -4.194 1.00 1.12 C ATOM 1874 CE1 PHE B 41 7.049 4.628 -2.175 1.00 1.08 C ATOM 1875 CE2 PHE B 41 8.286 5.331 -4.096 1.00 1.26 C ATOM 1876 CZ PHE B 41 8.063 4.416 -3.087 1.00 0.93 C ATOM 0 H PHE B 41 3.066 7.413 -3.026 1.00 0.48 H new ATOM 0 HA PHE B 41 5.353 8.012 -1.271 1.00 0.55 H new ATOM 0 HB2 PHE B 41 4.913 7.755 -4.254 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.232 8.752 -3.672 1.00 0.66 H new ATOM 0 HD1 PHE B 41 5.463 5.916 -1.561 1.00 1.04 H new ATOM 0 HD2 PHE B 41 7.662 7.163 -4.988 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.876 3.915 -1.383 1.00 1.08 H new ATOM 0 HE2 PHE B 41 9.083 5.170 -4.807 1.00 1.26 H new ATOM 0 HZ PHE B 41 8.682 3.534 -3.011 1.00 0.93 H new ATOM 1886 N ASP B 42 5.453 10.523 -1.747 1.00 0.56 N ATOM 1887 CA ASP B 42 5.366 11.972 -1.829 1.00 0.59 C ATOM 1888 C ASP B 42 5.784 12.431 -3.221 1.00 0.54 C ATOM 1889 O ASP B 42 6.420 11.675 -3.963 1.00 0.51 O ATOM 1890 CB ASP B 42 6.276 12.616 -0.779 1.00 0.68 C ATOM 1891 CG ASP B 42 6.026 14.100 -0.610 1.00 1.22 C ATOM 1892 OD1 ASP B 42 5.140 14.476 0.184 1.00 2.03 O ATOM 1893 OD2 ASP B 42 6.708 14.897 -1.279 1.00 1.66 O ATOM 0 H ASP B 42 6.317 10.176 -1.331 1.00 0.56 H new ATOM 0 HA ASP B 42 4.337 12.277 -1.639 1.00 0.59 H new ATOM 0 HB2 ASP B 42 6.127 12.117 0.178 1.00 0.68 H new ATOM 0 HB3 ASP B 42 7.317 12.458 -1.062 1.00 0.68 H new ATOM 1898 N GLU B 43 5.521 13.691 -3.528 1.00 0.63 N ATOM 1899 CA GLU B 43 5.958 14.288 -4.779 1.00 0.67 C ATOM 1900 C GLU B 43 7.479 14.250 -4.862 1.00 0.56 C ATOM 1901 O GLU B 43 8.047 13.825 -5.869 1.00 0.60 O ATOM 1902 CB GLU B 43 5.460 15.729 -4.882 1.00 0.87 C ATOM 1903 CG GLU B 43 4.629 15.997 -6.125 1.00 1.09 C ATOM 1904 CD GLU B 43 5.409 15.769 -7.400 1.00 1.11 C ATOM 1905 OE1 GLU B 43 6.331 16.561 -7.689 1.00 1.63 O ATOM 1906 OE2 GLU B 43 5.108 14.802 -8.122 1.00 1.73 O ATOM 0 H GLU B 43 5.002 14.325 -2.921 1.00 0.63 H new ATOM 0 HA GLU B 43 5.540 13.718 -5.609 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.865 15.963 -3.999 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.317 16.402 -4.876 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.752 15.350 -6.119 1.00 1.09 H new ATOM 0 HG3 GLU B 43 4.267 17.025 -6.102 1.00 1.09 H new ATOM 1913 N GLU B 44 8.119 14.575 -3.745 1.00 0.52 N ATOM 1914 CA GLU B 44 9.569 14.505 -3.629 1.00 0.54 C ATOM 1915 C GLU B 44 10.061 13.092 -3.903 1.00 0.53 C ATOM 1916 O GLU B 44 11.035 12.889 -4.626 1.00 0.57 O ATOM 1917 CB GLU B 44 10.001 14.922 -2.224 1.00 0.62 C ATOM 1918 CG GLU B 44 11.459 15.349 -2.132 1.00 0.91 C ATOM 1919 CD GLU B 44 11.741 16.628 -2.892 1.00 1.74 C ATOM 1920 OE1 GLU B 44 10.895 17.545 -2.860 1.00 2.36 O ATOM 1921 OE2 GLU B 44 12.811 16.720 -3.527 1.00 2.52 O ATOM 0 H GLU B 44 7.649 14.893 -2.898 1.00 0.52 H new ATOM 0 HA GLU B 44 10.003 15.183 -4.364 1.00 0.54 H new ATOM 0 HB2 GLU B 44 9.369 15.744 -1.889 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.832 14.090 -1.540 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.728 15.486 -1.085 1.00 0.91 H new ATOM 0 HG3 GLU B 44 12.092 14.552 -2.522 1.00 0.91 H new ATOM 1928 N LYS B 45 9.378 12.125 -3.303 1.00 0.52 N ATOM 1929 CA LYS B 45 9.757 10.725 -3.406 1.00 0.56 C ATOM 1930 C LYS B 45 9.834 10.267 -4.854 1.00 0.55 C ATOM 1931 O LYS B 45 10.730 9.516 -5.224 1.00 0.59 O ATOM 1932 CB LYS B 45 8.765 9.850 -2.639 1.00 0.61 C ATOM 1933 CG LYS B 45 9.101 9.705 -1.164 1.00 0.75 C ATOM 1934 CD LYS B 45 8.397 8.509 -0.545 1.00 0.96 C ATOM 1935 CE LYS B 45 9.173 7.957 0.640 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.504 8.254 1.938 1.00 1.74 N ATOM 0 H LYS B 45 8.548 12.290 -2.733 1.00 0.52 H new ATOM 0 HA LYS B 45 10.749 10.622 -2.967 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.766 10.276 -2.736 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.736 8.861 -3.096 1.00 0.61 H new ATOM 0 HG2 LYS B 45 10.179 9.595 -1.045 1.00 0.75 H new ATOM 0 HG3 LYS B 45 8.812 10.612 -0.634 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.398 8.801 -0.223 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.275 7.729 -1.296 1.00 0.96 H new ATOM 0 HE2 LYS B 45 9.284 6.878 0.529 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.177 8.382 0.645 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.214 8.275 2.698 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.030 9.178 1.881 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 7.800 7.516 2.142 1.00 1.74 H new ATOM 1950 N HIS B 46 8.896 10.718 -5.669 1.00 0.52 N ATOM 1951 CA HIS B 46 8.856 10.305 -7.068 1.00 0.55 C ATOM 1952 C HIS B 46 9.933 11.011 -7.885 1.00 0.56 C ATOM 1953 O HIS B 46 10.595 10.387 -8.712 1.00 0.58 O ATOM 1954 CB HIS B 46 7.482 10.570 -7.678 1.00 0.59 C ATOM 1955 CG HIS B 46 7.025 9.490 -8.611 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.232 9.732 -9.711 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.250 8.155 -8.601 1.00 0.81 C ATOM 1958 CE1 HIS B 46 5.988 8.596 -10.337 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.593 7.626 -9.682 1.00 0.99 N ATOM 0 H HIS B 46 8.157 11.364 -5.393 1.00 0.52 H new ATOM 0 HA HIS B 46 9.050 9.233 -7.095 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.752 10.680 -6.876 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.509 11.517 -8.216 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.837 7.609 -7.877 1.00 0.81 H new ATOM 0 HE1 HIS B 46 5.395 8.481 -11.232 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.575 6.639 -9.938 1.00 0.99 H new ATOM 1968 N THR B 47 10.101 12.307 -7.652 1.00 0.59 N ATOM 1969 CA THR B 47 11.088 13.086 -8.386 1.00 0.64 C ATOM 1970 C THR B 47 12.512 12.645 -8.042 1.00 0.62 C ATOM 1971 O THR B 47 13.322 12.389 -8.935 1.00 0.65 O ATOM 1972 CB THR B 47 10.933 14.592 -8.104 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.553 14.898 -7.860 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.440 15.419 -9.274 1.00 0.79 C ATOM 0 H THR B 47 9.568 12.838 -6.963 1.00 0.59 H new ATOM 0 HA THR B 47 10.911 12.906 -9.446 1.00 0.64 H new ATOM 0 HB THR B 47 11.526 14.840 -7.224 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.279 14.511 -7.002 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.319 16.479 -9.050 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.495 15.202 -9.443 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.870 15.170 -10.169 1.00 0.79 H new ATOM 1982 N ARG B 48 12.796 12.491 -6.750 1.00 0.59 N ATOM 1983 CA ARG B 48 14.117 12.044 -6.319 1.00 0.61 C ATOM 1984 C ARG B 48 14.361 10.608 -6.746 1.00 0.54 C ATOM 1985 O ARG B 48 15.488 10.235 -7.043 1.00 0.56 O ATOM 1986 CB ARG B 48 14.282 12.156 -4.806 1.00 0.66 C ATOM 1987 CG ARG B 48 13.953 13.530 -4.251 1.00 0.93 C ATOM 1988 CD ARG B 48 15.092 14.511 -4.479 1.00 1.46 C ATOM 1989 NE ARG B 48 15.307 15.362 -3.314 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.417 15.346 -2.578 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.443 14.575 -2.928 1.00 1.82 N ATOM 1992 NH2 ARG B 48 16.501 16.100 -1.490 1.00 2.26 N ATOM 0 H ARG B 48 12.137 12.667 -5.992 1.00 0.59 H new ATOM 0 HA ARG B 48 14.849 12.696 -6.796 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.641 11.418 -4.325 1.00 0.66 H new ATOM 0 HB3 ARG B 48 15.310 11.905 -4.543 1.00 0.66 H new ATOM 0 HG2 ARG B 48 13.046 13.907 -4.724 1.00 0.93 H new ATOM 0 HG3 ARG B 48 13.747 13.452 -3.184 1.00 0.93 H new ATOM 0 HD2 ARG B 48 16.007 13.962 -4.704 1.00 1.46 H new ATOM 0 HD3 ARG B 48 14.871 15.131 -5.348 1.00 1.46 H new ATOM 0 HE ARG B 48 14.564 16.007 -3.047 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.382 13.993 -3.763 1.00 1.82 H new ATOM 0 HH12 ARG B 48 18.291 14.566 -2.361 1.00 1.82 H new ATOM 0 HH21 ARG B 48 15.716 16.691 -1.218 1.00 2.26 H new ATOM 0 HH22 ARG B 48 17.351 16.088 -0.926 1.00 2.26 H new ATOM 2006 N PHE B 49 13.303 9.803 -6.782 1.00 0.49 N ATOM 2007 CA PHE B 49 13.433 8.413 -7.197 1.00 0.45 C ATOM 2008 C PHE B 49 13.912 8.334 -8.639 1.00 0.47 C ATOM 2009 O PHE B 49 14.819 7.570 -8.953 1.00 0.48 O ATOM 2010 CB PHE B 49 12.110 7.660 -7.055 1.00 0.48 C ATOM 2011 CG PHE B 49 12.267 6.253 -6.549 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.493 5.797 -6.091 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.184 5.388 -6.525 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.635 4.505 -5.622 1.00 0.87 C ATOM 2015 CE2 PHE B 49 11.322 4.096 -6.060 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.567 3.652 -5.619 1.00 0.85 C ATOM 0 H PHE B 49 12.356 10.087 -6.531 1.00 0.49 H new ATOM 0 HA PHE B 49 14.167 7.943 -6.543 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.460 8.211 -6.375 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.611 7.635 -8.024 1.00 0.48 H new ATOM 0 HD1 PHE B 49 14.347 6.459 -6.101 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.221 5.729 -6.874 1.00 1.06 H new ATOM 0 HE1 PHE B 49 14.594 4.168 -5.256 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.470 3.433 -6.038 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.688 2.635 -5.275 1.00 0.85 H new ATOM 2026 N LYS B 50 13.340 9.172 -9.494 1.00 0.50 N ATOM 2027 CA LYS B 50 13.744 9.229 -10.892 1.00 0.54 C ATOM 2028 C LYS B 50 15.206 9.645 -11.011 1.00 0.53 C ATOM 2029 O LYS B 50 15.972 9.051 -11.774 1.00 0.52 O ATOM 2030 CB LYS B 50 12.855 10.205 -11.664 1.00 0.63 C ATOM 2031 CG LYS B 50 12.070 9.548 -12.789 1.00 0.91 C ATOM 2032 CD LYS B 50 10.940 8.689 -12.246 1.00 1.54 C ATOM 2033 CE LYS B 50 9.618 9.441 -12.242 1.00 2.02 C ATOM 2034 NZ LYS B 50 9.207 9.854 -13.611 1.00 2.55 N ATOM 0 H LYS B 50 12.595 9.822 -9.243 1.00 0.50 H new ATOM 0 HA LYS B 50 13.630 8.234 -11.322 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.157 10.675 -10.971 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.475 10.999 -12.080 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.662 10.315 -13.447 1.00 0.91 H new ATOM 0 HG3 LYS B 50 12.739 8.934 -13.392 1.00 0.91 H new ATOM 0 HD2 LYS B 50 10.845 7.787 -12.851 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.180 8.369 -11.232 1.00 1.54 H new ATOM 0 HE2 LYS B 50 8.843 8.810 -11.806 1.00 2.02 H new ATOM 0 HE3 LYS B 50 9.705 10.323 -11.608 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 8.169 9.901 -13.663 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 9.607 10.790 -13.826 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 9.557 9.161 -14.303 1.00 2.55 H new ATOM 2048 N ALA B 51 15.601 10.628 -10.211 1.00 0.56 N ATOM 2049 CA ALA B 51 16.982 11.091 -10.188 1.00 0.61 C ATOM 2050 C ALA B 51 17.911 10.015 -9.631 1.00 0.57 C ATOM 2051 O ALA B 51 18.924 9.677 -10.248 1.00 0.58 O ATOM 2052 CB ALA B 51 17.095 12.366 -9.364 1.00 0.71 C ATOM 0 H ALA B 51 14.982 11.121 -9.568 1.00 0.56 H new ATOM 0 HA ALA B 51 17.287 11.304 -11.212 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.132 12.702 -9.354 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.467 13.140 -9.804 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.768 12.170 -8.343 1.00 0.71 H new ATOM 2058 N ALA B 52 17.557 9.481 -8.466 1.00 0.55 N ATOM 2059 CA ALA B 52 18.362 8.464 -7.803 1.00 0.59 C ATOM 2060 C ALA B 52 18.532 7.226 -8.677 1.00 0.51 C ATOM 2061 O ALA B 52 19.614 6.646 -8.730 1.00 0.54 O ATOM 2062 CB ALA B 52 17.744 8.082 -6.465 1.00 0.67 C ATOM 0 H ALA B 52 16.710 9.739 -7.959 1.00 0.55 H new ATOM 0 HA ALA B 52 19.350 8.889 -7.629 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.359 7.321 -5.984 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.689 8.962 -5.825 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.741 7.688 -6.627 1.00 0.67 H new ATOM 2068 N CYS B 53 17.466 6.826 -9.363 1.00 0.48 N ATOM 2069 CA CYS B 53 17.524 5.660 -10.238 1.00 0.53 C ATOM 2070 C CYS B 53 18.462 5.922 -11.410 1.00 0.50 C ATOM 2071 O CYS B 53 19.268 5.068 -11.769 1.00 0.56 O ATOM 2072 CB CYS B 53 16.132 5.298 -10.764 1.00 0.68 C ATOM 2073 SG CYS B 53 14.979 4.739 -9.489 1.00 1.15 S ATOM 0 H CYS B 53 16.557 7.288 -9.331 1.00 0.48 H new ATOM 0 HA CYS B 53 17.904 4.822 -9.653 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.708 6.168 -11.265 1.00 0.68 H new ATOM 0 HB3 CYS B 53 16.232 4.515 -11.516 1.00 0.68 H new ATOM 0 HG CYS B 53 14.527 5.766 -8.832 1.00 1.15 H new ATOM 2079 N ALA B 54 18.372 7.121 -11.981 1.00 0.51 N ATOM 2080 CA ALA B 54 19.228 7.503 -13.096 1.00 0.59 C ATOM 2081 C ALA B 54 20.688 7.562 -12.662 1.00 0.59 C ATOM 2082 O ALA B 54 21.581 7.107 -13.382 1.00 0.70 O ATOM 2083 CB ALA B 54 18.793 8.844 -13.667 1.00 0.69 C ATOM 0 H ALA B 54 17.714 7.843 -11.688 1.00 0.51 H new ATOM 0 HA ALA B 54 19.131 6.745 -13.873 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.444 9.113 -14.499 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.764 8.773 -14.019 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.859 9.608 -12.892 1.00 0.69 H new ATOM 2089 N ARG B 55 20.913 8.078 -11.461 1.00 0.55 N ATOM 2090 CA ARG B 55 22.253 8.162 -10.896 1.00 0.64 C ATOM 2091 C ARG B 55 22.802 6.769 -10.604 1.00 0.59 C ATOM 2092 O ARG B 55 23.943 6.457 -10.940 1.00 0.76 O ATOM 2093 CB ARG B 55 22.234 8.993 -9.610 1.00 0.72 C ATOM 2094 CG ARG B 55 23.559 9.670 -9.296 1.00 1.03 C ATOM 2095 CD ARG B 55 23.791 9.785 -7.798 1.00 1.37 C ATOM 2096 NE ARG B 55 22.570 10.144 -7.077 1.00 1.97 N ATOM 2097 CZ ARG B 55 22.298 9.764 -5.831 1.00 2.64 C ATOM 2098 NH1 ARG B 55 23.182 9.061 -5.133 1.00 2.89 N ATOM 2099 NH2 ARG B 55 21.146 10.111 -5.267 1.00 3.60 N ATOM 0 H ARG B 55 20.179 8.447 -10.856 1.00 0.55 H new ATOM 0 HA ARG B 55 22.902 8.647 -11.625 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.458 9.754 -9.692 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.960 8.347 -8.776 1.00 0.72 H new ATOM 0 HG2 ARG B 55 24.373 9.103 -9.748 1.00 1.03 H new ATOM 0 HG3 ARG B 55 23.575 10.664 -9.744 1.00 1.03 H new ATOM 0 HD2 ARG B 55 24.171 8.837 -7.417 1.00 1.37 H new ATOM 0 HD3 ARG B 55 24.558 10.536 -7.607 1.00 1.37 H new ATOM 0 HE ARG B 55 21.883 10.723 -7.560 1.00 1.97 H new ATOM 0 HH11 ARG B 55 24.077 8.808 -5.551 1.00 2.89 H new ATOM 0 HH12 ARG B 55 22.966 8.774 -4.178 1.00 2.89 H new ATOM 0 HH21 ARG B 55 20.470 10.669 -5.789 1.00 3.60 H new ATOM 0 HH22 ARG B 55 20.938 9.820 -4.312 1.00 3.60 H new ATOM 2113 N LYS B 56 21.982 5.938 -9.971 1.00 0.47 N ATOM 2114 CA LYS B 56 22.382 4.584 -9.614 1.00 0.52 C ATOM 2115 C LYS B 56 22.538 3.716 -10.860 1.00 0.51 C ATOM 2116 O LYS B 56 23.358 2.801 -10.893 1.00 0.60 O ATOM 2117 CB LYS B 56 21.353 3.962 -8.662 1.00 0.61 C ATOM 2118 CG LYS B 56 21.917 2.845 -7.802 1.00 0.74 C ATOM 2119 CD LYS B 56 20.905 2.358 -6.782 1.00 0.91 C ATOM 2120 CE LYS B 56 20.682 0.857 -6.891 1.00 1.62 C ATOM 2121 NZ LYS B 56 21.960 0.097 -6.858 1.00 1.85 N ATOM 0 H LYS B 56 21.031 6.181 -9.694 1.00 0.47 H new ATOM 0 HA LYS B 56 23.347 4.635 -9.110 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.953 4.741 -8.014 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.519 3.574 -9.246 1.00 0.61 H new ATOM 0 HG2 LYS B 56 22.221 2.014 -8.438 1.00 0.74 H new ATOM 0 HG3 LYS B 56 22.811 3.197 -7.288 1.00 0.74 H new ATOM 0 HD2 LYS B 56 21.252 2.603 -5.778 1.00 0.91 H new ATOM 0 HD3 LYS B 56 19.959 2.879 -6.929 1.00 0.91 H new ATOM 0 HE2 LYS B 56 20.043 0.526 -6.073 1.00 1.62 H new ATOM 0 HE3 LYS B 56 20.153 0.636 -7.818 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 22.129 -0.338 -7.787 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 22.742 0.743 -6.630 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 21.903 -0.647 -6.133 1.00 1.85 H new ATOM 2135 N GLY B 57 21.730 3.995 -11.872 1.00 0.46 N ATOM 2136 CA GLY B 57 21.761 3.208 -13.084 1.00 0.51 C ATOM 2137 C GLY B 57 21.064 1.879 -12.895 1.00 0.59 C ATOM 2138 O GLY B 57 21.712 0.836 -12.814 1.00 0.75 O ATOM 0 H GLY B 57 21.051 4.756 -11.874 1.00 0.46 H new ATOM 0 HA2 GLY B 57 21.281 3.761 -13.891 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.795 3.039 -13.384 1.00 0.51 H new ATOM 2142 N THR B 58 19.751 1.928 -12.720 1.00 0.63 N ATOM 2143 CA THR B 58 18.980 0.732 -12.449 1.00 0.77 C ATOM 2144 C THR B 58 17.487 0.979 -12.664 1.00 0.62 C ATOM 2145 O THR B 58 17.040 2.127 -12.720 1.00 0.57 O ATOM 2146 CB THR B 58 19.237 0.231 -11.009 1.00 1.02 C ATOM 2147 OG1 THR B 58 18.856 -1.144 -10.889 1.00 1.92 O ATOM 2148 CG2 THR B 58 18.486 1.077 -9.983 1.00 0.92 C ATOM 0 H THR B 58 19.201 2.786 -12.762 1.00 0.63 H new ATOM 0 HA THR B 58 19.303 -0.038 -13.150 1.00 0.77 H new ATOM 0 HB THR B 58 20.304 0.326 -10.806 1.00 1.02 H new ATOM 0 HG1 THR B 58 19.212 -1.510 -10.053 1.00 1.92 H new ATOM 0 HG21 THR B 58 18.688 0.698 -8.981 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.817 2.113 -10.053 1.00 0.92 H new ATOM 0 HG23 THR B 58 17.416 1.024 -10.182 1.00 0.92 H new ATOM 2156 N SER B 59 16.736 -0.104 -12.810 1.00 0.66 N ATOM 2157 CA SER B 59 15.301 -0.037 -13.039 1.00 0.66 C ATOM 2158 C SER B 59 14.559 0.322 -11.754 1.00 0.62 C ATOM 2159 O SER B 59 15.053 0.067 -10.653 1.00 0.66 O ATOM 2160 CB SER B 59 14.820 -1.389 -13.562 1.00 0.78 C ATOM 2161 OG SER B 59 15.825 -2.375 -13.381 1.00 0.87 O ATOM 0 H SER B 59 17.106 -1.054 -12.773 1.00 0.66 H new ATOM 0 HA SER B 59 15.094 0.741 -13.773 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.911 -1.686 -13.039 1.00 0.78 H new ATOM 0 HB3 SER B 59 14.567 -1.308 -14.619 1.00 0.78 H new ATOM 0 HG SER B 59 15.503 -3.237 -13.719 1.00 0.87 H new ATOM 2167 N ILE B 60 13.356 0.878 -11.899 1.00 0.66 N ATOM 2168 CA ILE B 60 12.546 1.258 -10.744 1.00 0.73 C ATOM 2169 C ILE B 60 12.149 0.032 -9.913 1.00 0.76 C ATOM 2170 O ILE B 60 11.826 0.145 -8.733 1.00 0.85 O ATOM 2171 CB ILE B 60 11.281 2.050 -11.169 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.860 3.011 -10.057 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.133 1.112 -11.525 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.866 4.463 -10.482 1.00 0.91 C ATOM 0 H ILE B 60 12.923 1.074 -12.802 1.00 0.66 H new ATOM 0 HA ILE B 60 13.162 1.909 -10.124 1.00 0.73 H new ATOM 0 HB ILE B 60 11.528 2.627 -12.060 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.860 2.744 -9.716 1.00 0.97 H new ATOM 0 HG13 ILE B 60 11.530 2.886 -9.207 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.262 1.698 -11.818 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.432 0.468 -12.352 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.883 0.498 -10.660 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.557 5.089 -9.644 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.871 4.746 -10.795 1.00 0.91 H new ATOM 0 HD13 ILE B 60 10.174 4.602 -11.313 1.00 0.91 H new ATOM 2186 N THR B 61 12.249 -1.144 -10.513 1.00 0.79 N ATOM 2187 CA THR B 61 11.950 -2.378 -9.815 1.00 0.85 C ATOM 2188 C THR B 61 13.083 -2.766 -8.862 1.00 0.77 C ATOM 2189 O THR B 61 12.839 -3.203 -7.734 1.00 0.75 O ATOM 2190 CB THR B 61 11.707 -3.518 -10.819 1.00 1.01 C ATOM 2191 OG1 THR B 61 11.842 -3.022 -12.162 1.00 1.12 O ATOM 2192 CG2 THR B 61 10.322 -4.114 -10.637 1.00 1.14 C ATOM 0 H THR B 61 12.536 -1.267 -11.484 1.00 0.79 H new ATOM 0 HA THR B 61 11.046 -2.214 -9.228 1.00 0.85 H new ATOM 0 HB THR B 61 12.448 -4.297 -10.638 1.00 1.01 H new ATOM 0 HG1 THR B 61 11.688 -3.752 -12.797 1.00 1.12 H new ATOM 0 HG21 THR B 61 10.174 -4.918 -11.358 1.00 1.14 H new ATOM 0 HG22 THR B 61 10.227 -4.511 -9.626 1.00 1.14 H new ATOM 0 HG23 THR B 61 9.570 -3.341 -10.796 1.00 1.14 H new ATOM 2200 N ASP B 62 14.319 -2.617 -9.326 1.00 0.74 N ATOM 2201 CA ASP B 62 15.485 -3.008 -8.538 1.00 0.73 C ATOM 2202 C ASP B 62 15.692 -2.085 -7.347 1.00 0.62 C ATOM 2203 O ASP B 62 16.038 -2.545 -6.261 1.00 0.61 O ATOM 2204 CB ASP B 62 16.745 -3.022 -9.402 1.00 0.82 C ATOM 2205 CG ASP B 62 18.011 -3.200 -8.583 1.00 1.16 C ATOM 2206 OD1 ASP B 62 18.203 -4.293 -8.009 1.00 1.68 O ATOM 2207 OD2 ASP B 62 18.818 -2.246 -8.501 1.00 1.81 O ATOM 0 H ASP B 62 14.541 -2.229 -10.243 1.00 0.74 H new ATOM 0 HA ASP B 62 15.296 -4.014 -8.164 1.00 0.73 H new ATOM 0 HB2 ASP B 62 16.672 -3.828 -10.132 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.807 -2.089 -9.963 1.00 0.82 H new ATOM 2212 N VAL B 63 15.488 -0.786 -7.545 1.00 0.60 N ATOM 2213 CA VAL B 63 15.672 0.174 -6.459 1.00 0.57 C ATOM 2214 C VAL B 63 14.743 -0.142 -5.298 1.00 0.56 C ATOM 2215 O VAL B 63 15.183 -0.218 -4.155 1.00 0.59 O ATOM 2216 CB VAL B 63 15.442 1.636 -6.889 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.754 2.306 -7.249 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.464 1.723 -8.044 1.00 1.01 C ATOM 0 H VAL B 63 15.199 -0.377 -8.434 1.00 0.60 H new ATOM 0 HA VAL B 63 16.714 0.076 -6.155 1.00 0.57 H new ATOM 0 HB VAL B 63 15.007 2.165 -6.041 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.566 3.337 -7.549 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.417 2.295 -6.384 1.00 0.81 H new ATOM 0 HG13 VAL B 63 17.223 1.768 -8.073 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.323 2.767 -8.324 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.857 1.169 -8.896 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.507 1.296 -7.744 1.00 1.01 H new ATOM 2228 N VAL B 64 13.472 -0.387 -5.600 1.00 0.55 N ATOM 2229 CA VAL B 64 12.506 -0.734 -4.570 1.00 0.56 C ATOM 2230 C VAL B 64 12.892 -2.044 -3.893 1.00 0.55 C ATOM 2231 O VAL B 64 12.850 -2.162 -2.667 1.00 0.57 O ATOM 2232 CB VAL B 64 11.073 -0.843 -5.128 1.00 0.57 C ATOM 2233 CG1 VAL B 64 10.089 -1.155 -4.015 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.675 0.441 -5.838 1.00 0.67 C ATOM 0 H VAL B 64 13.091 -0.351 -6.545 1.00 0.55 H new ATOM 0 HA VAL B 64 12.520 0.074 -3.838 1.00 0.56 H new ATOM 0 HB VAL B 64 11.051 -1.659 -5.850 1.00 0.57 H new ATOM 0 HG11 VAL B 64 9.083 -1.228 -4.429 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.358 -2.101 -3.546 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.118 -0.360 -3.270 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.660 0.344 -6.225 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.717 1.273 -5.136 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.361 0.628 -6.664 1.00 0.67 H new ATOM 2244 N ASN B 65 13.379 -2.985 -4.684 1.00 0.55 N ATOM 2245 CA ASN B 65 13.864 -4.249 -4.151 1.00 0.56 C ATOM 2246 C ASN B 65 15.087 -4.024 -3.264 1.00 0.56 C ATOM 2247 O ASN B 65 15.334 -4.782 -2.329 1.00 0.56 O ATOM 2248 CB ASN B 65 14.219 -5.201 -5.294 1.00 0.58 C ATOM 2249 CG ASN B 65 14.026 -6.659 -4.928 1.00 0.77 C ATOM 2250 OD1 ASN B 65 14.683 -7.185 -4.028 1.00 0.86 O ATOM 2251 ND2 ASN B 65 13.118 -7.323 -5.628 1.00 1.46 N ATOM 0 H ASN B 65 13.449 -2.899 -5.698 1.00 0.55 H new ATOM 0 HA ASN B 65 13.073 -4.694 -3.548 1.00 0.56 H new ATOM 0 HB2 ASN B 65 13.603 -4.965 -6.162 1.00 0.58 H new ATOM 0 HB3 ASN B 65 15.257 -5.039 -5.586 1.00 0.58 H new ATOM 0 HD21 ASN B 65 12.941 -8.308 -5.430 1.00 1.46 H new ATOM 0 HD22 ASN B 65 12.596 -6.849 -6.365 1.00 1.46 H new ATOM 2258 N GLN B 66 15.839 -2.968 -3.562 1.00 0.58 N ATOM 2259 CA GLN B 66 17.049 -2.641 -2.818 1.00 0.60 C ATOM 2260 C GLN B 66 16.726 -1.983 -1.482 1.00 0.58 C ATOM 2261 O GLN B 66 17.345 -2.309 -0.467 1.00 0.61 O ATOM 2262 CB GLN B 66 17.957 -1.729 -3.640 1.00 0.65 C ATOM 2263 CG GLN B 66 19.420 -1.821 -3.246 1.00 0.84 C ATOM 2264 CD GLN B 66 20.338 -2.020 -4.436 1.00 1.25 C ATOM 2265 OE1 GLN B 66 21.396 -1.398 -4.530 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.947 -2.892 -5.352 1.00 1.70 N ATOM 0 H GLN B 66 15.628 -2.320 -4.321 1.00 0.58 H new ATOM 0 HA GLN B 66 17.570 -3.577 -2.618 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.856 -1.983 -4.695 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.622 -0.698 -3.527 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.708 -0.911 -2.719 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.552 -2.648 -2.549 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.063 -3.388 -5.239 1.00 1.70 H new ATOM 0 HE22 GLN B 66 20.530 -3.067 -6.171 1.00 1.70 H new ATOM 2275 N LEU B 67 15.748 -1.076 -1.463 1.00 0.55 N ATOM 2276 CA LEU B 67 15.355 -0.445 -0.208 1.00 0.55 C ATOM 2277 C LEU B 67 14.772 -1.493 0.727 1.00 0.50 C ATOM 2278 O LEU B 67 15.115 -1.541 1.909 1.00 0.50 O ATOM 2279 CB LEU B 67 14.348 0.699 -0.400 1.00 0.57 C ATOM 2280 CG LEU B 67 13.729 0.844 -1.786 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.222 0.738 -1.697 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.115 2.174 -2.410 1.00 0.67 C ATOM 0 H LEU B 67 15.226 -0.769 -2.283 1.00 0.55 H new ATOM 0 HA LEU B 67 16.253 -0.005 0.225 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.541 0.566 0.320 1.00 0.57 H new ATOM 0 HB3 LEU B 67 14.846 1.636 -0.151 1.00 0.57 H new ATOM 0 HG LEU B 67 14.109 0.040 -2.416 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.790 0.843 -2.692 1.00 0.97 H new ATOM 0 HD12 LEU B 67 11.949 -0.233 -1.284 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.839 1.528 -1.051 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.663 2.257 -3.398 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.760 2.989 -1.779 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.200 2.232 -2.501 1.00 0.67 H new ATOM 2294 N VAL B 68 13.986 -2.406 0.157 1.00 0.48 N ATOM 2295 CA VAL B 68 13.446 -3.535 0.905 1.00 0.45 C ATOM 2296 C VAL B 68 14.579 -4.423 1.400 1.00 0.42 C ATOM 2297 O VAL B 68 14.597 -4.832 2.556 1.00 0.40 O ATOM 2298 CB VAL B 68 12.485 -4.384 0.045 1.00 0.46 C ATOM 2299 CG1 VAL B 68 12.079 -5.652 0.780 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.259 -3.579 -0.342 1.00 1.07 C ATOM 0 H VAL B 68 13.710 -2.383 -0.825 1.00 0.48 H new ATOM 0 HA VAL B 68 12.888 -3.128 1.749 1.00 0.45 H new ATOM 0 HB VAL B 68 13.010 -4.670 -0.866 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.402 -6.234 0.155 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.967 -6.244 1.002 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.577 -5.388 1.711 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.595 -4.196 -0.948 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.735 -3.258 0.558 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.565 -2.704 -0.915 1.00 1.07 H new ATOM 2310 N ASP B 69 15.530 -4.686 0.510 1.00 0.47 N ATOM 2311 CA ASP B 69 16.698 -5.505 0.818 1.00 0.49 C ATOM 2312 C ASP B 69 17.420 -4.987 2.054 1.00 0.48 C ATOM 2313 O ASP B 69 17.544 -5.684 3.068 1.00 0.49 O ATOM 2314 CB ASP B 69 17.659 -5.488 -0.374 1.00 0.60 C ATOM 2315 CG ASP B 69 18.517 -6.730 -0.463 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.960 -7.841 -0.544 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.758 -6.606 -0.422 1.00 1.46 O ATOM 0 H ASP B 69 15.513 -4.336 -0.448 1.00 0.47 H new ATOM 0 HA ASP B 69 16.362 -6.523 1.016 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.085 -5.384 -1.294 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.304 -4.613 -0.300 1.00 0.60 H new ATOM 2322 N ASN B 70 17.856 -3.741 1.966 1.00 0.55 N ATOM 2323 CA ASN B 70 18.575 -3.094 3.053 1.00 0.61 C ATOM 2324 C ASN B 70 17.739 -3.094 4.321 1.00 0.56 C ATOM 2325 O ASN B 70 18.195 -3.531 5.372 1.00 0.60 O ATOM 2326 CB ASN B 70 18.935 -1.660 2.667 1.00 0.74 C ATOM 2327 CG ASN B 70 20.166 -1.585 1.781 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.251 -1.222 2.231 1.00 1.88 O ATOM 2329 ND2 ASN B 70 20.002 -1.912 0.510 1.00 2.19 N ATOM 0 H ASN B 70 17.723 -3.152 1.144 1.00 0.55 H new ATOM 0 HA ASN B 70 19.492 -3.653 3.240 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.091 -1.204 2.149 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.107 -1.076 3.571 1.00 0.74 H new ATOM 0 HD21 ASN B 70 20.792 -1.868 -0.134 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.086 -2.209 0.174 1.00 2.19 H new ATOM 2336 N TRP B 71 16.493 -2.653 4.192 1.00 0.54 N ATOM 2337 CA TRP B 71 15.565 -2.611 5.315 1.00 0.54 C ATOM 2338 C TRP B 71 15.423 -3.983 5.966 1.00 0.47 C ATOM 2339 O TRP B 71 15.459 -4.103 7.186 1.00 0.53 O ATOM 2340 CB TRP B 71 14.199 -2.120 4.842 1.00 0.57 C ATOM 2341 CG TRP B 71 13.207 -1.943 5.943 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.111 -0.883 6.791 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.161 -2.848 6.307 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.072 -1.072 7.665 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.473 -2.273 7.390 1.00 0.75 C ATOM 2346 CE3 TRP B 71 11.742 -4.089 5.824 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 10.389 -2.897 7.998 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 10.665 -4.707 6.426 1.00 0.62 C ATOM 2349 CH2 TRP B 71 9.998 -4.109 7.502 1.00 0.74 C ATOM 0 H TRP B 71 16.100 -2.317 3.313 1.00 0.54 H new ATOM 0 HA TRP B 71 15.964 -1.921 6.058 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.325 -1.170 4.323 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.800 -2.829 4.117 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.759 -0.019 6.777 1.00 0.81 H new ATOM 0 HE1 TRP B 71 11.791 -0.424 8.401 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.251 -4.557 4.994 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 9.875 -2.441 8.831 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.331 -5.667 6.061 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.156 -4.616 7.950 1.00 0.74 H new ATOM 2360 N LEU B 72 15.228 -5.004 5.143 1.00 0.42 N ATOM 2361 CA LEU B 72 15.035 -6.368 5.619 1.00 0.44 C ATOM 2362 C LEU B 72 16.135 -6.780 6.588 1.00 0.55 C ATOM 2363 O LEU B 72 15.859 -7.282 7.677 1.00 0.65 O ATOM 2364 CB LEU B 72 15.003 -7.336 4.434 1.00 0.50 C ATOM 2365 CG LEU B 72 13.718 -8.151 4.280 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.491 -7.297 4.546 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.648 -8.751 2.887 1.00 0.60 C ATOM 0 H LEU B 72 15.199 -4.911 4.128 1.00 0.42 H new ATOM 0 HA LEU B 72 14.083 -6.405 6.149 1.00 0.44 H new ATOM 0 HB2 LEU B 72 15.162 -6.766 3.518 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.841 -8.027 4.530 1.00 0.50 H new ATOM 0 HG LEU B 72 13.734 -8.955 5.016 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.593 -7.904 4.429 1.00 0.58 H new ATOM 0 HD12 LEU B 72 12.534 -6.905 5.562 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.464 -6.469 3.838 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.730 -9.330 2.786 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.657 -7.952 2.146 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.507 -9.403 2.728 1.00 0.60 H new ATOM 2379 N LYS B 73 17.380 -6.570 6.186 1.00 0.63 N ATOM 2380 CA LYS B 73 18.517 -6.972 7.007 1.00 0.83 C ATOM 2381 C LYS B 73 18.794 -5.973 8.132 1.00 0.97 C ATOM 2382 O LYS B 73 19.334 -6.341 9.177 1.00 1.13 O ATOM 2383 CB LYS B 73 19.766 -7.130 6.142 1.00 0.96 C ATOM 2384 CG LYS B 73 19.537 -7.941 4.877 1.00 0.92 C ATOM 2385 CD LYS B 73 20.105 -7.228 3.669 1.00 1.16 C ATOM 2386 CE LYS B 73 20.546 -8.203 2.600 1.00 1.41 C ATOM 2387 NZ LYS B 73 21.265 -7.509 1.504 1.00 1.79 N ATOM 0 H LYS B 73 17.630 -6.126 5.302 1.00 0.63 H new ATOM 0 HA LYS B 73 18.263 -7.929 7.463 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.134 -6.141 5.867 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.548 -7.608 6.733 1.00 0.96 H new ATOM 0 HG2 LYS B 73 20.004 -8.921 4.979 1.00 0.92 H new ATOM 0 HG3 LYS B 73 18.469 -8.109 4.736 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.354 -6.553 3.258 1.00 1.16 H new ATOM 0 HD3 LYS B 73 20.953 -6.614 3.974 1.00 1.16 H new ATOM 0 HE2 LYS B 73 21.194 -8.961 3.040 1.00 1.41 H new ATOM 0 HE3 LYS B 73 19.677 -8.722 2.197 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 21.701 -8.213 0.875 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 20.594 -6.928 0.962 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 22.005 -6.899 1.906 1.00 1.79 H new ATOM 2401 N GLU B 74 18.522 -4.701 7.886 1.00 0.99 N ATOM 2402 CA GLU B 74 18.855 -3.656 8.849 1.00 1.22 C ATOM 2403 C GLU B 74 17.804 -3.536 9.954 1.00 1.27 C ATOM 2404 O GLU B 74 18.123 -3.154 11.078 1.00 1.50 O ATOM 2405 CB GLU B 74 19.013 -2.308 8.144 1.00 1.37 C ATOM 2406 CG GLU B 74 20.231 -2.222 7.233 1.00 1.81 C ATOM 2407 CD GLU B 74 21.463 -2.873 7.826 1.00 2.23 C ATOM 2408 OE1 GLU B 74 21.759 -2.626 9.014 1.00 2.78 O ATOM 2409 OE2 GLU B 74 22.151 -3.624 7.104 1.00 2.51 O ATOM 0 H GLU B 74 18.074 -4.366 7.033 1.00 0.99 H new ATOM 0 HA GLU B 74 19.800 -3.940 9.313 1.00 1.22 H new ATOM 0 HB2 GLU B 74 18.117 -2.111 7.555 1.00 1.37 H new ATOM 0 HB3 GLU B 74 19.079 -1.522 8.896 1.00 1.37 H new ATOM 0 HG2 GLU B 74 19.999 -2.698 6.280 1.00 1.81 H new ATOM 0 HG3 GLU B 74 20.447 -1.175 7.022 1.00 1.81 H new ATOM 2416 N ASN B 75 16.545 -3.761 9.606 1.00 1.11 N ATOM 2417 CA ASN B 75 15.444 -3.565 10.547 1.00 1.21 C ATOM 2418 C ASN B 75 15.262 -4.768 11.471 1.00 1.14 C ATOM 2419 O ASN B 75 14.738 -4.629 12.578 1.00 1.29 O ATOM 2420 CB ASN B 75 14.139 -3.280 9.788 1.00 1.28 C ATOM 2421 CG ASN B 75 13.229 -4.497 9.674 1.00 1.61 C ATOM 2422 OD1 ASN B 75 12.327 -4.691 10.487 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.454 -5.324 8.665 1.00 1.97 N ATOM 0 H ASN B 75 16.258 -4.079 8.681 1.00 1.11 H new ATOM 0 HA ASN B 75 15.695 -2.706 11.169 1.00 1.21 H new ATOM 0 HB2 ASN B 75 13.600 -2.479 10.294 1.00 1.28 H new ATOM 0 HB3 ASN B 75 14.380 -2.920 8.788 1.00 1.28 H new ATOM 0 HD21 ASN B 75 12.870 -6.152 8.544 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.211 -5.133 8.008 1.00 1.97 H new ATOM 2430 N GLU B 76 15.617 -5.948 10.992 1.00 1.01 N ATOM 2431 CA GLU B 76 15.390 -7.168 11.751 1.00 1.08 C ATOM 2432 C GLU B 76 16.534 -7.437 12.719 1.00 1.38 C ATOM 2433 O GLU B 76 17.570 -6.743 12.635 1.00 1.93 O ATOM 2434 CB GLU B 76 15.208 -8.350 10.803 1.00 1.36 C ATOM 2435 CG GLU B 76 13.755 -8.736 10.587 1.00 1.88 C ATOM 2436 CD GLU B 76 13.483 -10.183 10.940 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.996 -11.077 10.232 1.00 2.52 O ATOM 2438 OE2 GLU B 76 12.760 -10.436 11.926 1.00 2.67 O ATOM 2439 OXT GLU B 76 16.392 -8.342 13.564 1.00 1.90 O ATOM 0 H GLU B 76 16.062 -6.088 10.085 1.00 1.01 H new ATOM 0 HA GLU B 76 14.480 -7.038 12.337 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.658 -8.106 9.841 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.749 -9.210 11.199 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.117 -8.091 11.192 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.487 -8.563 9.545 1.00 1.88 H new