USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 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+ 162:sc= 2.35 (180deg=1.03) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.03 K(o=3.4,f=-5.1!) USER MOD Set 2.1: A 65 ASN : amide:sc= 1.04 K(o=2.3,f=-6.9) USER MOD Set 2.2: B 45 LYS NZ :NH3+ 152:sc= 1.26! (180deg=-0.113!) USER MOD Set 3.1: A 56 LYS NZ :NH3+ -178:sc= 2.39 (180deg=1.12) USER MOD Set 3.2: B 75 ASN : amide:sc= -0.417 K(o=2,f=-9!) USER MOD Set 4.1: A 38 ASN : amide:sc= 0.827 K(o=1.7,f=-0.7) USER MOD Set 4.2: B 38 ASN : amide:sc= 0.823 K(o=1.7,f=-0.7!) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 1.2 (180deg=0.749) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 46 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.34) USER MOD Single : A 47 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -84:sc= 0.493 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0864 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 70 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.1) USER MOD Single : B 40 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.47) USER MOD Single : B 46 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=-0.0033) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 65:sc= 0.765 USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : B 59 SER OG : rot 96:sc= 1.31 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.134 USER MOD Single : B 66 GLN : amide:sc= -1.16! C(o=-1.2!,f=-0.98!) USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -125:sc= 1.23 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.197 12.918 -4.323 1.00 0.64 N ATOM 519 CA ILE A 34 0.758 11.642 -3.920 1.00 0.59 C ATOM 520 C ILE A 34 0.835 10.708 -5.122 1.00 0.52 C ATOM 521 O ILE A 34 -0.037 10.722 -5.990 1.00 0.59 O ATOM 522 CB ILE A 34 -0.078 11.002 -2.788 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.099 11.920 -1.563 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.469 9.636 -2.409 1.00 1.06 C ATOM 525 CD1 ILE A 34 1.248 12.062 -0.881 1.00 1.67 C ATOM 0 HA ILE A 34 1.764 11.811 -3.537 1.00 0.59 H new ATOM 0 HB ILE A 34 -1.097 10.870 -3.152 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.448 12.907 -1.866 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -0.821 11.534 -0.844 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.138 9.210 -1.611 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.440 8.979 -3.278 1.00 1.06 H new ATOM 0 HG23 ILE A 34 1.499 9.739 -2.066 1.00 1.06 H new ATOM 0 HD11 ILE A 34 1.153 12.727 -0.023 1.00 1.67 H new ATOM 0 HD12 ILE A 34 1.591 11.083 -0.545 1.00 1.67 H new ATOM 0 HD13 ILE A 34 1.970 12.478 -1.584 1.00 1.67 H new ATOM 537 N LYS A 35 1.927 9.973 -5.211 1.00 0.50 N ATOM 538 CA LYS A 35 2.187 9.096 -6.340 1.00 0.49 C ATOM 539 C LYS A 35 2.099 7.642 -5.906 1.00 0.44 C ATOM 540 O LYS A 35 2.259 7.335 -4.727 1.00 0.47 O ATOM 541 CB LYS A 35 3.573 9.394 -6.916 1.00 0.59 C ATOM 542 CG LYS A 35 4.018 10.831 -6.698 1.00 0.92 C ATOM 543 CD LYS A 35 4.254 11.550 -8.013 1.00 1.10 C ATOM 544 CE LYS A 35 2.971 12.139 -8.575 1.00 1.08 C ATOM 545 NZ LYS A 35 3.253 13.212 -9.563 1.00 1.27 N ATOM 0 H LYS A 35 2.661 9.966 -4.502 1.00 0.50 H new ATOM 0 HA LYS A 35 1.436 9.274 -7.110 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.300 8.722 -6.460 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.568 9.181 -7.985 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.261 11.363 -6.123 1.00 0.92 H new ATOM 0 HG3 LYS A 35 4.934 10.843 -6.107 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.985 12.345 -7.866 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.681 10.855 -8.735 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.385 11.352 -9.049 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.367 12.541 -7.762 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.575 13.990 -9.433 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 4.220 13.568 -9.422 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.161 12.830 -10.526 1.00 1.27 H new ATOM 559 N ARG A 36 1.808 6.757 -6.844 1.00 0.52 N ATOM 560 CA ARG A 36 1.670 5.337 -6.534 1.00 0.53 C ATOM 561 C ARG A 36 2.748 4.517 -7.231 1.00 0.56 C ATOM 562 O ARG A 36 2.975 4.659 -8.435 1.00 0.76 O ATOM 563 CB ARG A 36 0.280 4.814 -6.927 1.00 0.64 C ATOM 564 CG ARG A 36 -0.421 5.641 -7.988 1.00 1.17 C ATOM 565 CD ARG A 36 -0.424 4.939 -9.338 1.00 1.51 C ATOM 566 NE ARG A 36 -1.693 4.258 -9.603 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.827 4.890 -9.906 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.837 6.208 -10.058 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.945 4.197 -10.096 1.00 3.65 N ATOM 0 H ARG A 36 1.662 6.992 -7.826 1.00 0.52 H new ATOM 0 HA ARG A 36 1.789 5.228 -5.456 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.378 3.790 -7.287 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.348 4.780 -6.036 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.447 5.837 -7.677 1.00 1.17 H new ATOM 0 HG3 ARG A 36 0.074 6.608 -8.082 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -0.233 5.668 -10.125 1.00 1.51 H new ATOM 0 HD3 ARG A 36 0.389 4.214 -9.371 1.00 1.51 H new ATOM 0 HE ARG A 36 -1.710 3.239 -9.553 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -1.975 6.741 -9.943 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.707 6.688 -10.290 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.936 3.181 -10.010 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -4.812 4.681 -10.328 1.00 3.65 H new ATOM 583 N VAL A 37 3.386 3.640 -6.475 1.00 0.49 N ATOM 584 CA VAL A 37 4.406 2.757 -7.019 1.00 0.56 C ATOM 585 C VAL A 37 4.042 1.305 -6.735 1.00 0.53 C ATOM 586 O VAL A 37 3.669 0.952 -5.612 1.00 0.55 O ATOM 587 CB VAL A 37 5.807 3.074 -6.441 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.812 1.987 -6.792 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.295 4.428 -6.939 1.00 1.26 C ATOM 0 H VAL A 37 3.215 3.519 -5.477 1.00 0.49 H new ATOM 0 HA VAL A 37 4.447 2.920 -8.096 1.00 0.56 H new ATOM 0 HB VAL A 37 5.718 3.109 -5.355 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.785 2.241 -6.371 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.476 1.035 -6.381 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.896 1.905 -7.876 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.281 4.635 -6.523 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.356 4.415 -8.027 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.598 5.204 -6.624 1.00 1.26 H new ATOM 599 N ASN A 38 4.106 0.480 -7.766 1.00 0.55 N ATOM 600 CA ASN A 38 3.764 -0.926 -7.652 1.00 0.56 C ATOM 601 C ASN A 38 5.032 -1.761 -7.613 1.00 0.49 C ATOM 602 O ASN A 38 5.793 -1.794 -8.581 1.00 0.57 O ATOM 603 CB ASN A 38 2.888 -1.359 -8.828 1.00 0.74 C ATOM 604 CG ASN A 38 1.948 -2.488 -8.459 1.00 0.81 C ATOM 605 OD1 ASN A 38 1.172 -2.379 -7.506 1.00 1.53 O ATOM 606 ND2 ASN A 38 2.003 -3.575 -9.207 1.00 1.00 N ATOM 0 H ASN A 38 4.395 0.765 -8.702 1.00 0.55 H new ATOM 0 HA ASN A 38 3.205 -1.078 -6.729 1.00 0.56 H new ATOM 0 HB2 ASN A 38 2.308 -0.506 -9.179 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.524 -1.674 -9.655 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.389 -4.364 -9.005 1.00 1.00 H new ATOM 0 HD22 ASN A 38 2.659 -3.625 -9.986 1.00 1.00 H new ATOM 613 N VAL A 39 5.304 -2.339 -6.455 1.00 0.41 N ATOM 614 CA VAL A 39 6.534 -3.078 -6.246 1.00 0.44 C ATOM 615 C VAL A 39 6.283 -4.578 -6.259 1.00 0.42 C ATOM 616 O VAL A 39 5.271 -5.053 -5.742 1.00 0.48 O ATOM 617 CB VAL A 39 7.203 -2.696 -4.908 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.665 -3.118 -4.908 1.00 1.24 C ATOM 619 CG2 VAL A 39 7.071 -1.202 -4.646 1.00 0.63 C ATOM 0 H VAL A 39 4.686 -2.309 -5.644 1.00 0.41 H new ATOM 0 HA VAL A 39 7.201 -2.814 -7.067 1.00 0.44 H new ATOM 0 HB VAL A 39 6.692 -3.225 -4.103 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.123 -2.842 -3.958 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.732 -4.197 -5.043 1.00 1.24 H new ATOM 0 HG13 VAL A 39 9.188 -2.617 -5.722 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.549 -0.955 -3.698 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.553 -0.647 -5.451 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.016 -0.932 -4.601 1.00 0.63 H new ATOM 629 N ASN A 40 7.257 -5.317 -6.772 1.00 0.46 N ATOM 630 CA ASN A 40 7.210 -6.768 -6.765 1.00 0.51 C ATOM 631 C ASN A 40 8.159 -7.292 -5.697 1.00 0.44 C ATOM 632 O ASN A 40 9.379 -7.156 -5.812 1.00 0.56 O ATOM 633 CB ASN A 40 7.595 -7.329 -8.136 1.00 0.67 C ATOM 634 CG ASN A 40 6.418 -7.966 -8.850 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.831 -8.931 -8.365 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.073 -7.436 -10.013 1.00 2.13 N ATOM 0 H ASN A 40 8.096 -4.928 -7.202 1.00 0.46 H new ATOM 0 HA ASN A 40 6.193 -7.091 -6.542 1.00 0.51 H new ATOM 0 HB2 ASN A 40 8.000 -6.527 -8.753 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.386 -8.069 -8.014 1.00 0.67 H new ATOM 0 HD21 ASN A 40 5.294 -7.829 -10.541 1.00 2.13 H new ATOM 0 HD22 ASN A 40 6.586 -6.635 -10.381 1.00 2.13 H new ATOM 643 N PHE A 41 7.595 -7.823 -4.629 1.00 0.40 N ATOM 644 CA PHE A 41 8.385 -8.289 -3.502 1.00 0.45 C ATOM 645 C PHE A 41 8.490 -9.800 -3.519 1.00 0.45 C ATOM 646 O PHE A 41 7.492 -10.495 -3.653 1.00 0.56 O ATOM 647 CB PHE A 41 7.751 -7.837 -2.183 1.00 0.62 C ATOM 648 CG PHE A 41 8.111 -6.435 -1.778 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.351 -5.910 -2.099 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.212 -5.643 -1.084 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.691 -4.623 -1.736 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.545 -4.353 -0.717 1.00 1.16 C ATOM 653 CZ PHE A 41 8.765 -3.846 -1.016 1.00 0.75 C ATOM 0 H PHE A 41 6.588 -7.943 -4.517 1.00 0.40 H new ATOM 0 HA PHE A 41 9.384 -7.860 -3.586 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.667 -7.912 -2.269 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.056 -8.522 -1.392 1.00 0.62 H new ATOM 0 HD1 PHE A 41 10.062 -6.516 -2.641 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.240 -6.038 -0.827 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.656 -4.217 -2.001 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.827 -3.744 -0.188 1.00 1.16 H new ATOM 0 HZ PHE A 41 9.027 -2.846 -0.702 1.00 0.75 H new ATOM 663 N ASP A 42 9.705 -10.300 -3.382 1.00 0.45 N ATOM 664 CA ASP A 42 9.946 -11.736 -3.361 1.00 0.47 C ATOM 665 C ASP A 42 9.286 -12.363 -2.134 1.00 0.40 C ATOM 666 O ASP A 42 9.088 -11.691 -1.124 1.00 0.35 O ATOM 667 CB ASP A 42 11.454 -11.996 -3.375 1.00 0.62 C ATOM 668 CG ASP A 42 11.882 -13.111 -2.446 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.745 -14.285 -2.831 1.00 1.35 O ATOM 670 OD2 ASP A 42 12.338 -12.814 -1.320 1.00 1.38 O ATOM 0 H ASP A 42 10.546 -9.731 -3.283 1.00 0.45 H new ATOM 0 HA ASP A 42 9.506 -12.196 -4.245 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.763 -12.241 -4.391 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.975 -11.080 -3.096 1.00 0.62 H new ATOM 675 N GLU A 43 8.824 -13.600 -2.283 1.00 0.46 N ATOM 676 CA GLU A 43 8.062 -14.281 -1.234 1.00 0.48 C ATOM 677 C GLU A 43 8.831 -14.344 0.082 1.00 0.40 C ATOM 678 O GLU A 43 8.255 -14.125 1.149 1.00 0.42 O ATOM 679 CB GLU A 43 7.688 -15.691 -1.681 1.00 0.65 C ATOM 680 CG GLU A 43 6.221 -15.840 -2.046 1.00 1.08 C ATOM 681 CD GLU A 43 5.319 -15.897 -0.833 1.00 1.04 C ATOM 682 OE1 GLU A 43 5.361 -16.908 -0.106 1.00 1.45 O ATOM 683 OE2 GLU A 43 4.573 -14.924 -0.590 1.00 1.28 O ATOM 0 H GLU A 43 8.964 -14.158 -3.126 1.00 0.46 H new ATOM 0 HA GLU A 43 7.156 -13.699 -1.064 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.298 -15.965 -2.542 1.00 0.65 H new ATOM 0 HB3 GLU A 43 7.929 -16.393 -0.883 1.00 0.65 H new ATOM 0 HG2 GLU A 43 5.921 -15.003 -2.677 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.088 -16.747 -2.635 1.00 1.08 H new ATOM 690 N GLU A 44 10.134 -14.576 -0.001 1.00 0.38 N ATOM 691 CA GLU A 44 10.986 -14.595 1.184 1.00 0.42 C ATOM 692 C GLU A 44 10.963 -13.236 1.862 1.00 0.37 C ATOM 693 O GLU A 44 10.620 -13.116 3.042 1.00 0.43 O ATOM 694 CB GLU A 44 12.423 -14.945 0.797 1.00 0.52 C ATOM 695 CG GLU A 44 13.098 -15.939 1.728 1.00 0.60 C ATOM 696 CD GLU A 44 12.121 -16.887 2.394 1.00 1.56 C ATOM 697 OE1 GLU A 44 11.590 -17.786 1.710 1.00 2.34 O ATOM 698 OE2 GLU A 44 11.883 -16.735 3.608 1.00 2.19 O ATOM 0 H GLU A 44 10.626 -14.754 -0.877 1.00 0.38 H new ATOM 0 HA GLU A 44 10.607 -15.350 1.872 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.425 -15.353 -0.214 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.014 -14.029 0.773 1.00 0.52 H new ATOM 0 HG2 GLU A 44 13.829 -16.518 1.164 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.647 -15.394 2.496 1.00 0.60 H new ATOM 705 N LYS A 45 11.283 -12.211 1.084 1.00 0.32 N ATOM 706 CA LYS A 45 11.282 -10.843 1.563 1.00 0.35 C ATOM 707 C LYS A 45 9.917 -10.457 2.118 1.00 0.30 C ATOM 708 O LYS A 45 9.822 -9.784 3.137 1.00 0.35 O ATOM 709 CB LYS A 45 11.651 -9.883 0.431 1.00 0.39 C ATOM 710 CG LYS A 45 13.131 -9.855 0.096 1.00 0.56 C ATOM 711 CD LYS A 45 13.466 -8.674 -0.802 1.00 0.68 C ATOM 712 CE LYS A 45 14.883 -8.180 -0.569 1.00 1.04 C ATOM 713 NZ LYS A 45 15.540 -7.764 -1.835 1.00 1.09 N ATOM 0 H LYS A 45 11.550 -12.308 0.104 1.00 0.32 H new ATOM 0 HA LYS A 45 12.021 -10.772 2.361 1.00 0.35 H new ATOM 0 HB2 LYS A 45 11.093 -10.162 -0.463 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.333 -8.877 0.705 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.714 -9.794 1.015 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.413 -10.784 -0.399 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.348 -8.965 -1.846 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.762 -7.863 -0.616 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.865 -7.339 0.124 1.00 1.04 H new ATOM 0 HE3 LYS A 45 15.470 -8.969 -0.098 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.361 -7.163 -1.619 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.856 -8.607 -2.356 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.864 -7.230 -2.418 1.00 1.09 H new ATOM 727 N HIS A 46 8.866 -10.847 1.416 1.00 0.28 N ATOM 728 CA HIS A 46 7.514 -10.460 1.795 1.00 0.31 C ATOM 729 C HIS A 46 7.065 -11.159 3.077 1.00 0.32 C ATOM 730 O HIS A 46 6.362 -10.566 3.896 1.00 0.34 O ATOM 731 CB HIS A 46 6.529 -10.748 0.662 1.00 0.38 C ATOM 732 CG HIS A 46 5.242 -9.985 0.776 1.00 0.43 C ATOM 733 ND1 HIS A 46 4.037 -10.589 1.046 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.978 -8.660 0.651 1.00 0.47 C ATOM 735 CE1 HIS A 46 3.084 -9.676 1.083 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.628 -8.500 0.848 1.00 0.58 N ATOM 0 H HIS A 46 8.921 -11.431 0.581 1.00 0.28 H new ATOM 0 HA HIS A 46 7.526 -9.387 1.986 1.00 0.31 H new ATOM 0 HB2 HIS A 46 7.002 -10.506 -0.290 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.309 -11.815 0.646 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.693 -7.880 0.437 1.00 0.47 H new ATOM 0 HE1 HIS A 46 2.037 -9.862 1.273 1.00 0.64 H new ATOM 0 HE2 HIS A 46 3.127 -7.612 0.817 1.00 0.58 H new ATOM 745 N THR A 47 7.512 -12.391 3.279 1.00 0.33 N ATOM 746 CA THR A 47 7.185 -13.115 4.500 1.00 0.40 C ATOM 747 C THR A 47 7.908 -12.493 5.693 1.00 0.39 C ATOM 748 O THR A 47 7.294 -12.241 6.735 1.00 0.43 O ATOM 749 CB THR A 47 7.532 -14.612 4.391 1.00 0.47 C ATOM 750 OG1 THR A 47 6.953 -15.161 3.197 1.00 0.72 O ATOM 751 CG2 THR A 47 7.013 -15.375 5.600 1.00 0.60 C ATOM 0 H THR A 47 8.096 -12.906 2.620 1.00 0.33 H new ATOM 0 HA THR A 47 6.108 -13.036 4.649 1.00 0.40 H new ATOM 0 HB THR A 47 8.617 -14.710 4.353 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.391 -14.771 2.412 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.269 -16.430 5.502 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.467 -14.974 6.506 1.00 0.60 H new ATOM 0 HG23 THR A 47 5.930 -15.269 5.660 1.00 0.60 H new ATOM 759 N ARG A 48 9.163 -12.104 5.481 1.00 0.35 N ATOM 760 CA ARG A 48 9.911 -11.375 6.494 1.00 0.38 C ATOM 761 C ARG A 48 9.284 -10.007 6.709 1.00 0.34 C ATOM 762 O ARG A 48 9.202 -9.526 7.833 1.00 0.38 O ATOM 763 CB ARG A 48 11.377 -11.212 6.089 1.00 0.42 C ATOM 764 CG ARG A 48 12.155 -10.247 6.975 1.00 0.73 C ATOM 765 CD ARG A 48 13.140 -10.981 7.863 1.00 0.80 C ATOM 766 NE ARG A 48 14.404 -11.242 7.184 1.00 0.90 N ATOM 767 CZ ARG A 48 14.955 -12.453 7.085 1.00 1.43 C ATOM 768 NH1 ARG A 48 14.317 -13.518 7.556 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.133 -12.605 6.499 1.00 1.87 N ATOM 0 H ARG A 48 9.679 -12.282 4.619 1.00 0.35 H new ATOM 0 HA ARG A 48 9.875 -11.947 7.421 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.863 -12.188 6.116 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.423 -10.862 5.058 1.00 0.42 H new ATOM 0 HG2 ARG A 48 12.689 -9.530 6.352 1.00 0.73 H new ATOM 0 HG3 ARG A 48 11.460 -9.678 7.593 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.327 -10.392 8.761 1.00 0.80 H new ATOM 0 HD3 ARG A 48 12.702 -11.925 8.187 1.00 0.80 H new ATOM 0 HE ARG A 48 14.895 -10.454 6.761 1.00 0.90 H new ATOM 0 HH11 ARG A 48 13.403 -13.412 7.995 1.00 1.83 H new ATOM 0 HH12 ARG A 48 14.741 -14.442 7.479 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.623 -11.794 6.121 1.00 1.87 H new ATOM 0 HH22 ARG A 48 16.550 -13.533 6.426 1.00 1.87 H new ATOM 783 N PHE A 49 8.850 -9.397 5.614 1.00 0.32 N ATOM 784 CA PHE A 49 8.218 -8.084 5.645 1.00 0.32 C ATOM 785 C PHE A 49 7.074 -8.055 6.648 1.00 0.36 C ATOM 786 O PHE A 49 7.069 -7.233 7.563 1.00 0.39 O ATOM 787 CB PHE A 49 7.691 -7.727 4.252 1.00 0.33 C ATOM 788 CG PHE A 49 7.894 -6.291 3.865 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.117 -5.672 4.054 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.859 -5.565 3.301 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.304 -4.355 3.688 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.038 -4.248 2.934 1.00 0.92 C ATOM 793 CZ PHE A 49 8.264 -3.640 3.126 1.00 0.67 C ATOM 0 H PHE A 49 8.926 -9.798 4.679 1.00 0.32 H new ATOM 0 HA PHE A 49 8.965 -7.352 5.952 1.00 0.32 H new ATOM 0 HB2 PHE A 49 8.183 -8.363 3.516 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.626 -7.956 4.209 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.934 -6.226 4.493 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.899 -6.036 3.147 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.263 -3.883 3.841 1.00 0.94 H new ATOM 0 HE2 PHE A 49 6.221 -3.692 2.497 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.409 -2.609 2.838 1.00 0.67 H new ATOM 803 N LYS A 50 6.131 -8.978 6.492 1.00 0.39 N ATOM 804 CA LYS A 50 4.982 -9.067 7.388 1.00 0.45 C ATOM 805 C LYS A 50 5.425 -9.316 8.827 1.00 0.42 C ATOM 806 O LYS A 50 4.962 -8.647 9.752 1.00 0.42 O ATOM 807 CB LYS A 50 4.039 -10.188 6.942 1.00 0.54 C ATOM 808 CG LYS A 50 3.487 -10.005 5.539 1.00 0.93 C ATOM 809 CD LYS A 50 3.228 -11.344 4.868 1.00 1.47 C ATOM 810 CE LYS A 50 1.985 -12.024 5.422 1.00 1.37 C ATOM 811 NZ LYS A 50 2.262 -13.417 5.860 1.00 2.17 N ATOM 0 H LYS A 50 6.140 -9.678 5.750 1.00 0.39 H new ATOM 0 HA LYS A 50 4.455 -8.114 7.345 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.571 -11.138 6.992 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.207 -10.251 7.644 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.561 -9.432 5.582 1.00 0.93 H new ATOM 0 HG3 LYS A 50 4.192 -9.427 4.941 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.113 -11.196 3.794 1.00 1.47 H new ATOM 0 HD3 LYS A 50 4.091 -11.994 5.009 1.00 1.47 H new ATOM 0 HE2 LYS A 50 1.602 -11.448 6.264 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.206 -12.032 4.660 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 1.389 -13.844 6.231 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.604 -13.974 5.051 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.987 -13.409 6.605 1.00 2.17 H new ATOM 825 N ALA A 51 6.301 -10.295 9.007 1.00 0.43 N ATOM 826 CA ALA A 51 6.764 -10.674 10.334 1.00 0.46 C ATOM 827 C ALA A 51 7.523 -9.537 11.015 1.00 0.44 C ATOM 828 O ALA A 51 7.199 -9.151 12.141 1.00 0.47 O ATOM 829 CB ALA A 51 7.636 -11.916 10.248 1.00 0.53 C ATOM 0 H ALA A 51 6.706 -10.842 8.248 1.00 0.43 H new ATOM 0 HA ALA A 51 5.887 -10.893 10.943 1.00 0.46 H new ATOM 0 HB1 ALA A 51 7.977 -12.191 11.246 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.059 -12.737 9.823 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.498 -11.712 9.613 1.00 0.53 H new ATOM 835 N ALA A 52 8.558 -9.040 10.349 1.00 0.46 N ATOM 836 CA ALA A 52 9.425 -8.014 10.912 1.00 0.53 C ATOM 837 C ALA A 52 8.658 -6.741 11.255 1.00 0.53 C ATOM 838 O ALA A 52 8.802 -6.211 12.354 1.00 0.65 O ATOM 839 CB ALA A 52 10.562 -7.705 9.955 1.00 0.58 C ATOM 0 H ALA A 52 8.819 -9.335 9.408 1.00 0.46 H new ATOM 0 HA ALA A 52 9.835 -8.406 11.843 1.00 0.53 H new ATOM 0 HB1 ALA A 52 11.203 -6.937 10.387 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.146 -8.609 9.780 1.00 0.58 H new ATOM 0 HB3 ALA A 52 10.155 -7.348 9.009 1.00 0.58 H new ATOM 845 N CYS A 53 7.857 -6.240 10.317 1.00 0.48 N ATOM 846 CA CYS A 53 7.124 -5.001 10.542 1.00 0.56 C ATOM 847 C CYS A 53 6.120 -5.148 11.680 1.00 0.49 C ATOM 848 O CYS A 53 5.940 -4.222 12.469 1.00 0.53 O ATOM 849 CB CYS A 53 6.418 -4.540 9.268 1.00 0.68 C ATOM 850 SG CYS A 53 5.063 -5.602 8.725 1.00 1.29 S ATOM 0 H CYS A 53 7.701 -6.669 9.405 1.00 0.48 H new ATOM 0 HA CYS A 53 7.852 -4.241 10.827 1.00 0.56 H new ATOM 0 HB2 CYS A 53 6.030 -3.534 9.428 1.00 0.68 H new ATOM 0 HB3 CYS A 53 7.153 -4.474 8.466 1.00 0.68 H new ATOM 0 HG CYS A 53 5.539 -6.591 8.028 1.00 1.29 H new ATOM 856 N ALA A 54 5.520 -6.331 11.806 1.00 0.45 N ATOM 857 CA ALA A 54 4.581 -6.596 12.890 1.00 0.52 C ATOM 858 C ALA A 54 5.301 -6.608 14.233 1.00 0.53 C ATOM 859 O ALA A 54 4.742 -6.209 15.254 1.00 0.63 O ATOM 860 CB ALA A 54 3.864 -7.917 12.660 1.00 0.63 C ATOM 0 H ALA A 54 5.668 -7.117 11.173 1.00 0.45 H new ATOM 0 HA ALA A 54 3.840 -5.797 12.905 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.167 -8.100 13.478 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.316 -7.874 11.719 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.594 -8.725 12.618 1.00 0.63 H new ATOM 866 N ARG A 55 6.563 -7.019 14.209 1.00 0.53 N ATOM 867 CA ARG A 55 7.384 -7.050 15.413 1.00 0.66 C ATOM 868 C ARG A 55 7.711 -5.633 15.882 1.00 0.65 C ATOM 869 O ARG A 55 7.682 -5.342 17.078 1.00 0.75 O ATOM 870 CB ARG A 55 8.678 -7.829 15.159 1.00 0.77 C ATOM 871 CG ARG A 55 8.548 -9.326 15.390 1.00 1.38 C ATOM 872 CD ARG A 55 9.251 -10.125 14.304 1.00 1.87 C ATOM 873 NE ARG A 55 10.687 -10.254 14.546 1.00 2.37 N ATOM 874 CZ ARG A 55 11.254 -11.324 15.103 1.00 2.79 C ATOM 875 NH1 ARG A 55 10.508 -12.363 15.458 1.00 2.91 N ATOM 876 NH2 ARG A 55 12.569 -11.358 15.295 1.00 3.58 N ATOM 0 H ARG A 55 7.041 -7.336 13.366 1.00 0.53 H new ATOM 0 HA ARG A 55 6.817 -7.553 16.196 1.00 0.66 H new ATOM 0 HB2 ARG A 55 9.000 -7.656 14.132 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.461 -7.437 15.809 1.00 0.77 H new ATOM 0 HG2 ARG A 55 8.970 -9.582 16.362 1.00 1.38 H new ATOM 0 HG3 ARG A 55 7.493 -9.600 15.418 1.00 1.38 H new ATOM 0 HD2 ARG A 55 8.806 -11.118 14.242 1.00 1.87 H new ATOM 0 HD3 ARG A 55 9.090 -9.642 13.340 1.00 1.87 H new ATOM 0 HE ARG A 55 11.291 -9.479 14.272 1.00 2.37 H new ATOM 0 HH11 ARG A 55 9.500 -12.343 15.305 1.00 2.91 H new ATOM 0 HH12 ARG A 55 10.943 -13.181 15.884 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.146 -10.564 15.016 1.00 3.58 H new ATOM 0 HH22 ARG A 55 13.001 -12.178 15.721 1.00 3.58 H new ATOM 890 N LYS A 56 8.058 -4.762 14.938 1.00 0.59 N ATOM 891 CA LYS A 56 8.431 -3.388 15.268 1.00 0.64 C ATOM 892 C LYS A 56 7.199 -2.522 15.522 1.00 0.54 C ATOM 893 O LYS A 56 7.200 -1.676 16.420 1.00 0.67 O ATOM 894 CB LYS A 56 9.275 -2.766 14.146 1.00 0.71 C ATOM 895 CG LYS A 56 10.211 -3.747 13.459 1.00 1.15 C ATOM 896 CD LYS A 56 11.445 -4.037 14.296 1.00 1.46 C ATOM 897 CE LYS A 56 11.654 -5.534 14.481 1.00 2.01 C ATOM 898 NZ LYS A 56 12.846 -6.029 13.738 1.00 2.32 N ATOM 0 H LYS A 56 8.089 -4.981 13.942 1.00 0.59 H new ATOM 0 HA LYS A 56 9.024 -3.425 16.182 1.00 0.64 H new ATOM 0 HB2 LYS A 56 8.608 -2.334 13.400 1.00 0.71 H new ATOM 0 HB3 LYS A 56 9.864 -1.947 14.560 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.679 -4.678 13.262 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.515 -3.343 12.493 1.00 1.15 H new ATOM 0 HD2 LYS A 56 12.322 -3.603 13.816 1.00 1.46 H new ATOM 0 HD3 LYS A 56 11.346 -3.559 15.271 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.771 -5.755 15.542 1.00 2.01 H new ATOM 0 HE3 LYS A 56 10.767 -6.068 14.140 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 12.931 -7.058 13.864 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.739 -5.812 12.727 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 13.701 -5.563 14.104 1.00 2.32 H new ATOM 912 N GLY A 57 6.160 -2.721 14.719 1.00 0.48 N ATOM 913 CA GLY A 57 4.951 -1.924 14.849 1.00 0.47 C ATOM 914 C GLY A 57 4.717 -1.039 13.637 1.00 0.51 C ATOM 915 O GLY A 57 4.086 0.015 13.734 1.00 0.58 O ATOM 0 H GLY A 57 6.132 -3.421 13.978 1.00 0.48 H new ATOM 0 HA2 GLY A 57 4.095 -2.585 14.986 1.00 0.47 H new ATOM 0 HA3 GLY A 57 5.021 -1.303 15.742 1.00 0.47 H new ATOM 919 N THR A 58 5.224 -1.473 12.496 1.00 0.59 N ATOM 920 CA THR A 58 5.094 -0.726 11.256 1.00 0.73 C ATOM 921 C THR A 58 4.072 -1.389 10.332 1.00 0.56 C ATOM 922 O THR A 58 4.069 -2.610 10.180 1.00 0.53 O ATOM 923 CB THR A 58 6.459 -0.638 10.543 1.00 1.06 C ATOM 924 OG1 THR A 58 7.475 -0.257 11.483 1.00 2.01 O ATOM 925 CG2 THR A 58 6.426 0.361 9.402 1.00 0.61 C ATOM 0 H THR A 58 5.736 -2.350 12.403 1.00 0.59 H new ATOM 0 HA THR A 58 4.749 0.279 11.497 1.00 0.73 H new ATOM 0 HB THR A 58 6.685 -1.621 10.129 1.00 1.06 H new ATOM 0 HG1 THR A 58 8.340 -0.204 11.026 1.00 2.01 H new ATOM 0 HG21 THR A 58 7.404 0.397 8.922 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.675 0.056 8.673 1.00 0.61 H new ATOM 0 HG23 THR A 58 6.175 1.348 9.790 1.00 0.61 H new ATOM 933 N SER A 59 3.204 -0.584 9.725 1.00 0.55 N ATOM 934 CA SER A 59 2.206 -1.092 8.789 1.00 0.50 C ATOM 935 C SER A 59 2.879 -1.498 7.481 1.00 0.44 C ATOM 936 O SER A 59 3.837 -0.861 7.061 1.00 0.43 O ATOM 937 CB SER A 59 1.136 -0.031 8.541 1.00 0.61 C ATOM 938 OG SER A 59 1.157 0.962 9.558 1.00 0.72 O ATOM 0 H SER A 59 3.172 0.426 9.865 1.00 0.55 H new ATOM 0 HA SER A 59 1.726 -1.972 9.217 1.00 0.50 H new ATOM 0 HB2 SER A 59 1.300 0.435 7.569 1.00 0.61 H new ATOM 0 HB3 SER A 59 0.153 -0.501 8.508 1.00 0.61 H new ATOM 0 HG SER A 59 0.464 1.631 9.376 1.00 0.72 H new ATOM 944 N ILE A 60 2.464 -2.639 6.929 1.00 0.46 N ATOM 945 CA ILE A 60 3.133 -3.258 5.779 1.00 0.50 C ATOM 946 C ILE A 60 3.449 -2.261 4.655 1.00 0.47 C ATOM 947 O ILE A 60 4.563 -2.248 4.129 1.00 0.50 O ATOM 948 CB ILE A 60 2.306 -4.443 5.224 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.063 -5.138 4.090 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.932 -3.986 4.751 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.589 -6.505 4.464 1.00 0.96 C ATOM 0 H ILE A 60 1.655 -3.162 7.265 1.00 0.46 H new ATOM 0 HA ILE A 60 4.087 -3.630 6.152 1.00 0.50 H new ATOM 0 HB ILE A 60 2.158 -5.157 6.034 1.00 0.61 H new ATOM 0 HG12 ILE A 60 2.402 -5.235 3.229 1.00 0.99 H new ATOM 0 HG13 ILE A 60 3.898 -4.508 3.782 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.376 -4.841 4.367 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.388 -3.545 5.586 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.047 -3.244 3.961 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.114 -6.938 3.613 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.276 -6.413 5.305 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.757 -7.151 4.744 1.00 0.96 H new ATOM 963 N THR A 61 2.493 -1.417 4.309 1.00 0.45 N ATOM 964 CA THR A 61 2.695 -0.443 3.253 1.00 0.45 C ATOM 965 C THR A 61 3.602 0.694 3.725 1.00 0.42 C ATOM 966 O THR A 61 4.436 1.214 2.972 1.00 0.41 O ATOM 967 CB THR A 61 1.346 0.118 2.765 1.00 0.51 C ATOM 968 OG1 THR A 61 0.275 -0.740 3.198 1.00 0.68 O ATOM 969 CG2 THR A 61 1.323 0.229 1.248 1.00 0.77 C ATOM 0 H THR A 61 1.571 -1.387 4.744 1.00 0.45 H new ATOM 0 HA THR A 61 3.183 -0.948 2.420 1.00 0.45 H new ATOM 0 HB THR A 61 1.216 1.113 3.190 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.581 -0.378 2.887 1.00 0.68 H new ATOM 0 HG21 THR A 61 0.361 0.627 0.927 1.00 0.77 H new ATOM 0 HG22 THR A 61 2.120 0.897 0.920 1.00 0.77 H new ATOM 0 HG23 THR A 61 1.472 -0.757 0.809 1.00 0.77 H new ATOM 977 N ASP A 62 3.487 1.025 5.004 1.00 0.42 N ATOM 978 CA ASP A 62 4.310 2.065 5.608 1.00 0.42 C ATOM 979 C ASP A 62 5.774 1.639 5.675 1.00 0.36 C ATOM 980 O ASP A 62 6.670 2.476 5.578 1.00 0.35 O ATOM 981 CB ASP A 62 3.803 2.402 7.007 1.00 0.47 C ATOM 982 CG ASP A 62 4.306 3.739 7.499 1.00 0.61 C ATOM 983 OD1 ASP A 62 4.402 4.683 6.688 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.596 3.858 8.708 1.00 1.06 O ATOM 0 H ASP A 62 2.828 0.586 5.647 1.00 0.42 H new ATOM 0 HA ASP A 62 4.238 2.953 4.980 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.713 2.407 7.003 1.00 0.47 H new ATOM 0 HB3 ASP A 62 4.116 1.622 7.701 1.00 0.47 H new ATOM 989 N VAL A 63 6.018 0.330 5.770 1.00 0.34 N ATOM 990 CA VAL A 63 7.383 -0.186 5.759 1.00 0.32 C ATOM 991 C VAL A 63 8.054 0.166 4.448 1.00 0.31 C ATOM 992 O VAL A 63 9.168 0.677 4.439 1.00 0.35 O ATOM 993 CB VAL A 63 7.472 -1.714 5.941 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.850 -2.104 6.446 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.407 -2.223 6.887 1.00 0.66 C ATOM 0 H VAL A 63 5.294 -0.384 5.855 1.00 0.34 H new ATOM 0 HA VAL A 63 7.882 0.279 6.609 1.00 0.32 H new ATOM 0 HB VAL A 63 7.303 -2.175 4.968 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.899 -3.186 6.570 1.00 0.68 H new ATOM 0 HG12 VAL A 63 9.605 -1.787 5.726 1.00 0.68 H new ATOM 0 HG13 VAL A 63 9.037 -1.620 7.405 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.500 -3.304 6.992 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.531 -1.752 7.862 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.421 -1.980 6.490 1.00 0.66 H new ATOM 1005 N VAL A 64 7.339 -0.048 3.347 1.00 0.29 N ATOM 1006 CA VAL A 64 7.853 0.290 2.026 1.00 0.29 C ATOM 1007 C VAL A 64 8.204 1.766 1.961 1.00 0.31 C ATOM 1008 O VAL A 64 9.285 2.137 1.505 1.00 0.34 O ATOM 1009 CB VAL A 64 6.849 -0.030 0.899 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.584 -0.233 -0.417 1.00 0.33 C ATOM 1011 CG2 VAL A 64 6.011 -1.255 1.239 1.00 0.38 C ATOM 0 H VAL A 64 6.403 -0.454 3.345 1.00 0.29 H new ATOM 0 HA VAL A 64 8.741 -0.323 1.873 1.00 0.29 H new ATOM 0 HB VAL A 64 6.172 0.818 0.796 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.865 -0.458 -1.204 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.130 0.675 -0.673 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.285 -1.062 -0.318 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.313 -1.455 0.426 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.665 -2.116 1.377 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.454 -1.071 2.158 1.00 0.38 H new ATOM 1021 N ASN A 65 7.323 2.592 2.509 1.00 0.32 N ATOM 1022 CA ASN A 65 7.565 4.029 2.576 1.00 0.35 C ATOM 1023 C ASN A 65 8.793 4.337 3.434 1.00 0.38 C ATOM 1024 O ASN A 65 9.532 5.277 3.153 1.00 0.40 O ATOM 1025 CB ASN A 65 6.341 4.756 3.136 1.00 0.40 C ATOM 1026 CG ASN A 65 5.938 5.951 2.295 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.739 6.854 2.051 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.693 5.965 1.842 1.00 0.48 N ATOM 0 H ASN A 65 6.435 2.293 2.913 1.00 0.32 H new ATOM 0 HA ASN A 65 7.753 4.384 1.563 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.505 4.059 3.195 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.553 5.087 4.153 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.368 6.743 1.269 1.00 0.48 H new ATOM 0 HD22 ASN A 65 4.060 5.197 2.066 1.00 0.48 H new ATOM 1035 N GLN A 66 9.023 3.513 4.454 1.00 0.39 N ATOM 1036 CA GLN A 66 10.164 3.681 5.352 1.00 0.42 C ATOM 1037 C GLN A 66 11.482 3.342 4.659 1.00 0.40 C ATOM 1038 O GLN A 66 12.458 4.082 4.791 1.00 0.44 O ATOM 1039 CB GLN A 66 10.000 2.807 6.591 1.00 0.44 C ATOM 1040 CG GLN A 66 10.315 3.532 7.886 1.00 0.87 C ATOM 1041 CD GLN A 66 9.093 4.196 8.490 1.00 1.45 C ATOM 1042 OE1 GLN A 66 8.645 5.242 8.020 1.00 2.20 O ATOM 1043 NE2 GLN A 66 8.544 3.594 9.530 1.00 1.61 N ATOM 0 H GLN A 66 8.429 2.716 4.681 1.00 0.39 H new ATOM 0 HA GLN A 66 10.193 4.730 5.647 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.976 2.435 6.631 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.652 1.938 6.502 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.732 2.825 8.603 1.00 0.87 H new ATOM 0 HG3 GLN A 66 11.080 4.286 7.700 1.00 0.87 H new ATOM 0 HE21 GLN A 66 8.946 2.728 9.889 1.00 1.61 H new ATOM 0 HE22 GLN A 66 7.718 3.995 9.974 1.00 1.61 H new ATOM 1052 N LEU A 67 11.519 2.230 3.925 1.00 0.36 N ATOM 1053 CA LEU A 67 12.743 1.849 3.220 1.00 0.35 C ATOM 1054 C LEU A 67 13.028 2.854 2.115 1.00 0.31 C ATOM 1055 O LEU A 67 14.165 3.296 1.947 1.00 0.32 O ATOM 1056 CB LEU A 67 12.673 0.432 2.628 1.00 0.38 C ATOM 1057 CG LEU A 67 11.364 -0.325 2.832 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.923 -0.975 1.531 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.521 -1.375 3.919 1.00 1.01 C ATOM 0 H LEU A 67 10.734 1.590 3.804 1.00 0.36 H new ATOM 0 HA LEU A 67 13.551 1.849 3.952 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.865 0.499 1.557 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.480 -0.159 3.060 1.00 0.38 H new ATOM 0 HG LEU A 67 10.599 0.385 3.145 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.988 -1.512 1.691 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.775 -0.207 0.772 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.689 -1.674 1.195 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.578 -1.905 4.051 1.00 1.01 H new ATOM 0 HD22 LEU A 67 12.298 -2.083 3.631 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.800 -0.891 4.855 1.00 1.01 H new ATOM 1071 N VAL A 68 11.969 3.274 1.426 1.00 0.29 N ATOM 1072 CA VAL A 68 12.080 4.302 0.397 1.00 0.28 C ATOM 1073 C VAL A 68 12.612 5.591 1.009 1.00 0.30 C ATOM 1074 O VAL A 68 13.532 6.205 0.477 1.00 0.32 O ATOM 1075 CB VAL A 68 10.717 4.575 -0.284 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.743 5.868 -1.085 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.325 3.413 -1.178 1.00 0.69 C ATOM 0 H VAL A 68 11.023 2.917 1.563 1.00 0.29 H new ATOM 0 HA VAL A 68 12.772 3.940 -0.363 1.00 0.28 H new ATOM 0 HB VAL A 68 9.971 4.682 0.504 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.770 6.028 -1.549 1.00 0.81 H new ATOM 0 HG12 VAL A 68 10.970 6.702 -0.422 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.508 5.801 -1.859 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.364 3.623 -1.648 1.00 0.69 H new ATOM 0 HG22 VAL A 68 11.083 3.275 -1.949 1.00 0.69 H new ATOM 0 HG23 VAL A 68 10.245 2.505 -0.580 1.00 0.69 H new ATOM 1087 N ASP A 69 12.083 5.931 2.175 1.00 0.33 N ATOM 1088 CA ASP A 69 12.535 7.100 2.920 1.00 0.39 C ATOM 1089 C ASP A 69 14.018 6.997 3.237 1.00 0.36 C ATOM 1090 O ASP A 69 14.785 7.916 2.971 1.00 0.37 O ATOM 1091 CB ASP A 69 11.749 7.229 4.228 1.00 0.50 C ATOM 1092 CG ASP A 69 10.939 8.504 4.307 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.444 9.567 3.906 1.00 1.11 O ATOM 1094 OD2 ASP A 69 9.777 8.449 4.762 1.00 1.33 O ATOM 0 H ASP A 69 11.334 5.410 2.630 1.00 0.33 H new ATOM 0 HA ASP A 69 12.364 7.981 2.301 1.00 0.39 H new ATOM 0 HB2 ASP A 69 11.081 6.374 4.330 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.443 7.193 5.068 1.00 0.50 H new ATOM 1099 N ASN A 70 14.402 5.876 3.830 1.00 0.35 N ATOM 1100 CA ASN A 70 15.780 5.660 4.258 1.00 0.37 C ATOM 1101 C ASN A 70 16.746 5.705 3.078 1.00 0.33 C ATOM 1102 O ASN A 70 17.693 6.490 3.069 1.00 0.40 O ATOM 1103 CB ASN A 70 15.903 4.314 4.977 1.00 0.44 C ATOM 1104 CG ASN A 70 15.638 4.421 6.470 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.552 4.655 7.259 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.383 4.253 6.865 1.00 1.69 N ATOM 0 H ASN A 70 13.775 5.096 4.028 1.00 0.35 H new ATOM 0 HA ASN A 70 16.045 6.465 4.943 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.201 3.606 4.537 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.903 3.911 4.817 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.147 4.316 7.855 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.654 4.060 6.178 1.00 1.69 H new ATOM 1113 N TRP A 71 16.481 4.879 2.076 1.00 0.30 N ATOM 1114 CA TRP A 71 17.318 4.800 0.879 1.00 0.36 C ATOM 1115 C TRP A 71 17.418 6.154 0.178 1.00 0.35 C ATOM 1116 O TRP A 71 18.483 6.531 -0.318 1.00 0.40 O ATOM 1117 CB TRP A 71 16.731 3.759 -0.073 1.00 0.42 C ATOM 1118 CG TRP A 71 17.703 3.172 -1.053 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.602 2.161 -0.835 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.832 3.531 -2.428 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.300 1.902 -1.990 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.843 2.728 -2.981 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.193 4.468 -3.243 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.229 2.832 -4.313 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.573 4.568 -4.563 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.581 3.755 -5.089 1.00 0.77 C ATOM 0 H TRP A 71 15.682 4.244 2.066 1.00 0.30 H new ATOM 0 HA TRP A 71 18.325 4.507 1.177 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.302 2.950 0.518 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.912 4.217 -0.628 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.741 1.645 0.104 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.039 1.207 -2.092 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.415 5.103 -2.845 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.011 2.208 -4.720 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.084 5.287 -5.203 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.854 3.857 -6.129 1.00 0.77 H new ATOM 1137 N LEU A 72 16.301 6.868 0.115 1.00 0.36 N ATOM 1138 CA LEU A 72 16.257 8.152 -0.574 1.00 0.42 C ATOM 1139 C LEU A 72 16.968 9.243 0.219 1.00 0.49 C ATOM 1140 O LEU A 72 17.766 9.988 -0.332 1.00 0.61 O ATOM 1141 CB LEU A 72 14.806 8.566 -0.835 1.00 0.45 C ATOM 1142 CG LEU A 72 14.357 8.490 -2.296 1.00 0.42 C ATOM 1143 CD1 LEU A 72 14.801 7.181 -2.934 1.00 1.23 C ATOM 1144 CD2 LEU A 72 12.848 8.638 -2.388 1.00 1.38 C ATOM 0 H LEU A 72 15.415 6.581 0.532 1.00 0.36 H new ATOM 0 HA LEU A 72 16.778 8.031 -1.524 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.151 7.932 -0.237 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.668 9.588 -0.482 1.00 0.45 H new ATOM 0 HG LEU A 72 14.826 9.309 -2.842 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.470 7.151 -3.972 1.00 1.23 H new ATOM 0 HD12 LEU A 72 15.888 7.109 -2.898 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.364 6.344 -2.390 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.540 8.582 -3.432 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.369 7.837 -1.825 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.551 9.601 -1.973 1.00 1.38 H new ATOM 1156 N LYS A 73 16.620 9.386 1.491 1.00 0.51 N ATOM 1157 CA LYS A 73 17.156 10.476 2.303 1.00 0.64 C ATOM 1158 C LYS A 73 18.639 10.282 2.611 1.00 0.63 C ATOM 1159 O LYS A 73 19.358 11.246 2.868 1.00 0.74 O ATOM 1160 CB LYS A 73 16.369 10.613 3.610 1.00 0.82 C ATOM 1161 CG LYS A 73 14.904 10.982 3.415 1.00 0.97 C ATOM 1162 CD LYS A 73 14.166 11.065 4.743 1.00 1.32 C ATOM 1163 CE LYS A 73 14.292 9.775 5.538 1.00 1.19 C ATOM 1164 NZ LYS A 73 14.657 10.024 6.955 1.00 1.42 N ATOM 0 H LYS A 73 15.974 8.768 1.982 1.00 0.51 H new ATOM 0 HA LYS A 73 17.050 11.391 1.720 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.426 9.672 4.157 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.845 11.372 4.231 1.00 0.82 H new ATOM 0 HG2 LYS A 73 14.835 11.940 2.899 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.423 10.241 2.777 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.563 11.894 5.329 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.113 11.279 4.561 1.00 1.32 H new ATOM 0 HE2 LYS A 73 13.348 9.232 5.498 1.00 1.19 H new ATOM 0 HE3 LYS A 73 15.047 9.138 5.077 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 14.732 9.117 7.459 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 15.570 10.519 6.996 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.925 10.610 7.404 1.00 1.42 H new ATOM 1178 N GLU A 74 19.077 9.033 2.675 1.00 0.60 N ATOM 1179 CA GLU A 74 20.456 8.742 3.047 1.00 0.77 C ATOM 1180 C GLU A 74 21.372 8.681 1.828 1.00 0.85 C ATOM 1181 O GLU A 74 22.421 9.324 1.804 1.00 1.00 O ATOM 1182 CB GLU A 74 20.541 7.428 3.825 1.00 0.93 C ATOM 1183 CG GLU A 74 19.982 7.517 5.236 1.00 1.00 C ATOM 1184 CD GLU A 74 20.704 8.540 6.087 1.00 1.39 C ATOM 1185 OE1 GLU A 74 21.937 8.420 6.256 1.00 1.30 O ATOM 1186 OE2 GLU A 74 20.044 9.469 6.600 1.00 2.41 O ATOM 0 H GLU A 74 18.505 8.212 2.477 1.00 0.60 H new ATOM 0 HA GLU A 74 20.795 9.559 3.684 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.000 6.656 3.277 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.583 7.113 3.876 1.00 0.93 H new ATOM 0 HG2 GLU A 74 18.924 7.773 5.188 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.052 6.539 5.713 1.00 1.00 H new ATOM 1719 N LYS B 33 8.226 -17.105 -4.726 1.00 1.35 N ATOM 1720 CA LYS B 33 7.357 -16.421 -5.671 1.00 0.80 C ATOM 1721 C LYS B 33 7.534 -14.910 -5.544 1.00 0.59 C ATOM 1722 O LYS B 33 8.499 -14.440 -4.935 1.00 0.58 O ATOM 1723 CB LYS B 33 5.898 -16.810 -5.418 1.00 1.23 C ATOM 1724 CG LYS B 33 5.137 -17.184 -6.678 1.00 2.23 C ATOM 1725 CD LYS B 33 3.754 -16.558 -6.697 1.00 3.13 C ATOM 1726 CE LYS B 33 2.675 -17.598 -6.950 1.00 4.15 C ATOM 1727 NZ LYS B 33 1.329 -17.116 -6.535 1.00 4.99 N ATOM 0 HA LYS B 33 7.627 -16.720 -6.684 1.00 0.80 H new ATOM 0 HB2 LYS B 33 5.871 -17.651 -4.725 1.00 1.23 H new ATOM 0 HB3 LYS B 33 5.389 -15.978 -4.930 1.00 1.23 H new ATOM 0 HG2 LYS B 33 5.698 -16.857 -7.554 1.00 2.23 H new ATOM 0 HG3 LYS B 33 5.048 -18.268 -6.743 1.00 2.23 H new ATOM 0 HD2 LYS B 33 3.566 -16.061 -5.746 1.00 3.13 H new ATOM 0 HD3 LYS B 33 3.711 -15.792 -7.471 1.00 3.13 H new ATOM 0 HE2 LYS B 33 2.658 -17.853 -8.010 1.00 4.15 H new ATOM 0 HE3 LYS B 33 2.917 -18.511 -6.406 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 0.622 -17.855 -6.724 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 1.337 -16.897 -5.518 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 1.086 -16.259 -7.072 1.00 4.99 H new ATOM 1741 N ILE B 34 6.585 -14.156 -6.078 1.00 0.67 N ATOM 1742 CA ILE B 34 6.622 -12.702 -5.998 1.00 0.59 C ATOM 1743 C ILE B 34 5.267 -12.152 -5.564 1.00 0.57 C ATOM 1744 O ILE B 34 4.251 -12.847 -5.645 1.00 0.68 O ATOM 1745 CB ILE B 34 7.025 -12.052 -7.342 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.385 -13.116 -8.384 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.195 -11.104 -7.136 1.00 1.45 C ATOM 1748 CD1 ILE B 34 6.683 -12.931 -9.710 1.00 1.92 C ATOM 0 H ILE B 34 5.775 -14.529 -6.574 1.00 0.67 H new ATOM 0 HA ILE B 34 7.380 -12.450 -5.256 1.00 0.59 H new ATOM 0 HB ILE B 34 6.170 -11.488 -7.715 1.00 0.78 H new ATOM 0 HG12 ILE B 34 8.462 -13.101 -8.548 1.00 1.38 H new ATOM 0 HG13 ILE B 34 7.137 -14.100 -7.986 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.470 -10.652 -8.089 1.00 1.45 H new ATOM 0 HG22 ILE B 34 7.910 -10.322 -6.433 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.046 -11.657 -6.738 1.00 1.45 H new ATOM 0 HD11 ILE B 34 6.988 -13.721 -10.396 1.00 1.92 H new ATOM 0 HD12 ILE B 34 5.604 -12.976 -9.560 1.00 1.92 H new ATOM 0 HD13 ILE B 34 6.950 -11.962 -10.131 1.00 1.92 H new ATOM 1760 N LYS B 35 5.279 -10.943 -5.028 1.00 0.54 N ATOM 1761 CA LYS B 35 4.086 -10.309 -4.489 1.00 0.58 C ATOM 1762 C LYS B 35 3.958 -8.888 -5.025 1.00 0.59 C ATOM 1763 O LYS B 35 4.962 -8.216 -5.243 1.00 0.67 O ATOM 1764 CB LYS B 35 4.163 -10.283 -2.962 1.00 0.70 C ATOM 1765 CG LYS B 35 4.045 -11.656 -2.320 1.00 0.94 C ATOM 1766 CD LYS B 35 2.596 -12.047 -2.090 1.00 1.25 C ATOM 1767 CE LYS B 35 2.295 -13.422 -2.664 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.173 -14.451 -1.600 1.00 1.30 N ATOM 0 H LYS B 35 6.120 -10.371 -4.954 1.00 0.54 H new ATOM 0 HA LYS B 35 3.210 -10.881 -4.797 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.109 -9.832 -2.663 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.369 -9.643 -2.578 1.00 0.70 H new ATOM 0 HG2 LYS B 35 4.525 -12.398 -2.958 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.578 -11.660 -1.369 1.00 0.94 H new ATOM 0 HD2 LYS B 35 2.381 -12.042 -1.021 1.00 1.25 H new ATOM 0 HD3 LYS B 35 1.941 -11.308 -2.550 1.00 1.25 H new ATOM 0 HE2 LYS B 35 1.369 -13.381 -3.238 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.087 -13.708 -3.356 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 2.137 -15.396 -2.033 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 2.994 -14.392 -0.965 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 1.302 -14.286 -1.056 1.00 1.30 H new ATOM 1782 N ARG B 36 2.730 -8.430 -5.224 1.00 0.63 N ATOM 1783 CA ARG B 36 2.492 -7.092 -5.756 1.00 0.65 C ATOM 1784 C ARG B 36 1.953 -6.165 -4.676 1.00 0.63 C ATOM 1785 O ARG B 36 0.837 -6.346 -4.184 1.00 0.77 O ATOM 1786 CB ARG B 36 1.506 -7.147 -6.926 1.00 0.72 C ATOM 1787 CG ARG B 36 1.908 -8.110 -8.030 1.00 1.52 C ATOM 1788 CD ARG B 36 1.139 -9.416 -7.930 1.00 1.83 C ATOM 1789 NE ARG B 36 -0.042 -9.432 -8.788 1.00 2.61 N ATOM 1790 CZ ARG B 36 -0.582 -10.541 -9.287 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.062 -11.725 -8.995 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -1.645 -10.464 -10.080 1.00 4.33 N ATOM 0 H ARG B 36 1.883 -8.963 -5.026 1.00 0.63 H new ATOM 0 HA ARG B 36 3.445 -6.700 -6.110 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.525 -7.434 -6.547 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.405 -6.148 -7.349 1.00 0.72 H new ATOM 0 HG2 ARG B 36 1.724 -7.651 -9.001 1.00 1.52 H new ATOM 0 HG3 ARG B 36 2.978 -8.310 -7.970 1.00 1.52 H new ATOM 0 HD2 ARG B 36 1.795 -10.243 -8.203 1.00 1.83 H new ATOM 0 HD3 ARG B 36 0.836 -9.578 -6.896 1.00 1.83 H new ATOM 0 HE ARG B 36 -0.479 -8.540 -9.019 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.754 -11.787 -8.386 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -0.478 -12.573 -9.379 1.00 3.37 H new ATOM 0 HH21 ARG B 36 -2.047 -9.555 -10.307 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -2.059 -11.314 -10.462 1.00 4.33 H new ATOM 1806 N VAL B 37 2.744 -5.164 -4.319 1.00 0.53 N ATOM 1807 CA VAL B 37 2.343 -4.186 -3.314 1.00 0.56 C ATOM 1808 C VAL B 37 2.331 -2.787 -3.913 1.00 0.49 C ATOM 1809 O VAL B 37 3.330 -2.334 -4.474 1.00 0.49 O ATOM 1810 CB VAL B 37 3.287 -4.203 -2.088 1.00 0.71 C ATOM 1811 CG1 VAL B 37 2.655 -3.467 -0.913 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.644 -5.629 -1.694 1.00 1.36 C ATOM 0 H VAL B 37 3.672 -5.006 -4.712 1.00 0.53 H new ATOM 0 HA VAL B 37 1.341 -4.458 -2.982 1.00 0.56 H new ATOM 0 HB VAL B 37 4.207 -3.687 -2.365 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.335 -3.490 -0.061 1.00 0.92 H new ATOM 0 HG12 VAL B 37 2.461 -2.432 -1.194 1.00 0.92 H new ATOM 0 HG13 VAL B 37 1.717 -3.952 -0.642 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.308 -5.612 -0.830 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.735 -6.175 -1.442 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.145 -6.122 -2.527 1.00 1.36 H new ATOM 1822 N ASN B 38 1.215 -2.088 -3.764 1.00 0.54 N ATOM 1823 CA ASN B 38 1.111 -0.723 -4.261 1.00 0.54 C ATOM 1824 C ASN B 38 1.207 0.263 -3.111 1.00 0.52 C ATOM 1825 O ASN B 38 0.417 0.214 -2.166 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.197 -0.507 -5.020 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.088 0.635 -6.011 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -0.541 1.749 -5.752 1.00 1.67 O ATOM 1829 ND2 ASN B 38 0.516 0.362 -7.154 1.00 1.37 N ATOM 0 H ASN B 38 0.374 -2.440 -3.306 1.00 0.54 H new ATOM 0 HA ASN B 38 1.938 -0.555 -4.951 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.467 -1.422 -5.547 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -0.999 -0.299 -4.312 1.00 0.66 H new ATOM 0 HD21 ASN B 38 0.621 1.089 -7.862 1.00 1.37 H new ATOM 0 HD22 ASN B 38 0.877 -0.576 -7.329 1.00 1.37 H new ATOM 1836 N VAL B 39 2.217 1.111 -3.165 1.00 0.48 N ATOM 1837 CA VAL B 39 2.466 2.077 -2.108 1.00 0.49 C ATOM 1838 C VAL B 39 2.281 3.494 -2.629 1.00 0.46 C ATOM 1839 O VAL B 39 2.498 3.763 -3.811 1.00 0.48 O ATOM 1840 CB VAL B 39 3.889 1.928 -1.535 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.928 2.368 -0.079 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.382 0.494 -1.676 1.00 0.54 C ATOM 0 H VAL B 39 2.884 1.151 -3.936 1.00 0.48 H new ATOM 0 HA VAL B 39 1.747 1.883 -1.312 1.00 0.49 H new ATOM 0 HB VAL B 39 4.556 2.573 -2.107 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.941 2.256 0.308 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.626 3.413 -0.006 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.246 1.751 0.506 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.388 0.413 -1.265 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.714 -0.175 -1.134 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.397 0.217 -2.730 1.00 0.54 H new ATOM 1852 N ASN B 40 1.866 4.390 -1.746 1.00 0.52 N ATOM 1853 CA ASN B 40 1.640 5.776 -2.120 1.00 0.57 C ATOM 1854 C ASN B 40 2.710 6.671 -1.509 1.00 0.56 C ATOM 1855 O ASN B 40 2.731 6.898 -0.298 1.00 0.72 O ATOM 1856 CB ASN B 40 0.245 6.225 -1.670 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.757 6.277 -2.814 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -1.898 5.838 -2.676 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.341 6.808 -3.954 1.00 1.99 N ATOM 0 H ASN B 40 1.679 4.181 -0.765 1.00 0.52 H new ATOM 0 HA ASN B 40 1.699 5.859 -3.205 1.00 0.57 H new ATOM 0 HB2 ASN B 40 -0.121 5.542 -0.903 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.316 7.211 -1.211 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -0.974 6.862 -4.752 1.00 1.99 H new ATOM 0 HD22 ASN B 40 0.612 7.163 -4.034 1.00 1.99 H new ATOM 1866 N PHE B 41 3.608 7.162 -2.348 1.00 0.48 N ATOM 1867 CA PHE B 41 4.694 8.022 -1.902 1.00 0.55 C ATOM 1868 C PHE B 41 4.416 9.470 -2.287 1.00 0.60 C ATOM 1869 O PHE B 41 3.605 9.739 -3.171 1.00 0.76 O ATOM 1870 CB PHE B 41 6.021 7.579 -2.521 1.00 0.66 C ATOM 1871 CG PHE B 41 6.322 6.116 -2.355 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.546 5.583 -1.098 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.371 5.273 -3.454 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.813 4.237 -0.937 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.641 3.928 -3.299 1.00 1.26 C ATOM 1876 CZ PHE B 41 6.893 3.414 -2.060 1.00 0.93 C ATOM 0 H PHE B 41 3.606 6.978 -3.351 1.00 0.48 H new ATOM 0 HA PHE B 41 4.763 7.944 -0.817 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.010 7.818 -3.585 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.829 8.157 -2.073 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.512 6.227 -0.232 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.196 5.672 -4.442 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.959 3.825 0.051 1.00 1.08 H new ATOM 0 HE2 PHE B 41 6.653 3.279 -4.162 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.154 2.372 -1.949 1.00 0.93 H new ATOM 1886 N ASP B 42 5.122 10.390 -1.652 1.00 0.56 N ATOM 1887 CA ASP B 42 4.984 11.810 -1.955 1.00 0.59 C ATOM 1888 C ASP B 42 5.572 12.136 -3.328 1.00 0.54 C ATOM 1889 O ASP B 42 6.314 11.337 -3.904 1.00 0.51 O ATOM 1890 CB ASP B 42 5.689 12.643 -0.882 1.00 0.68 C ATOM 1891 CG ASP B 42 5.379 14.121 -0.987 1.00 1.22 C ATOM 1892 OD1 ASP B 42 4.318 14.547 -0.500 1.00 2.03 O ATOM 1893 OD2 ASP B 42 6.194 14.862 -1.578 1.00 1.66 O ATOM 0 H ASP B 42 5.800 10.181 -0.920 1.00 0.56 H new ATOM 0 HA ASP B 42 3.922 12.054 -1.967 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.392 12.284 0.103 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.766 12.496 -0.964 1.00 0.68 H new ATOM 1898 N GLU B 43 5.306 13.345 -3.805 1.00 0.63 N ATOM 1899 CA GLU B 43 5.866 13.824 -5.059 1.00 0.67 C ATOM 1900 C GLU B 43 7.383 13.891 -4.969 1.00 0.56 C ATOM 1901 O GLU B 43 8.084 13.471 -5.890 1.00 0.60 O ATOM 1902 CB GLU B 43 5.301 15.203 -5.402 1.00 0.87 C ATOM 1903 CG GLU B 43 4.469 15.220 -6.671 1.00 1.09 C ATOM 1904 CD GLU B 43 5.311 15.426 -7.915 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.840 16.544 -8.106 1.00 1.63 O ATOM 1906 OE2 GLU B 43 5.452 14.472 -8.704 1.00 1.73 O ATOM 0 H GLU B 43 4.699 14.017 -3.335 1.00 0.63 H new ATOM 0 HA GLU B 43 5.591 13.125 -5.849 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.688 15.552 -4.571 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.125 15.908 -5.509 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.924 14.280 -6.757 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.726 16.014 -6.604 1.00 1.09 H new ATOM 1913 N GLU B 44 7.881 14.335 -3.818 1.00 0.52 N ATOM 1914 CA GLU B 44 9.317 14.388 -3.565 1.00 0.54 C ATOM 1915 C GLU B 44 9.939 13.010 -3.704 1.00 0.53 C ATOM 1916 O GLU B 44 11.020 12.851 -4.269 1.00 0.57 O ATOM 1917 CB GLU B 44 9.589 14.902 -2.158 1.00 0.62 C ATOM 1918 CG GLU B 44 10.593 16.038 -2.106 1.00 0.91 C ATOM 1919 CD GLU B 44 9.948 17.394 -2.284 1.00 1.74 C ATOM 1920 OE1 GLU B 44 9.240 17.594 -3.291 1.00 2.52 O ATOM 1921 OE2 GLU B 44 10.152 18.274 -1.418 1.00 2.36 O ATOM 0 H GLU B 44 7.307 14.665 -3.042 1.00 0.52 H new ATOM 0 HA GLU B 44 9.758 15.063 -4.299 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.651 15.238 -1.716 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.954 14.078 -1.544 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.116 16.012 -1.150 1.00 0.91 H new ATOM 0 HG3 GLU B 44 11.342 15.891 -2.884 1.00 0.91 H new ATOM 1928 N LYS B 45 9.236 12.016 -3.187 1.00 0.52 N ATOM 1929 CA LYS B 45 9.703 10.642 -3.216 1.00 0.56 C ATOM 1930 C LYS B 45 9.781 10.133 -4.645 1.00 0.55 C ATOM 1931 O LYS B 45 10.652 9.340 -4.984 1.00 0.59 O ATOM 1932 CB LYS B 45 8.763 9.762 -2.396 1.00 0.61 C ATOM 1933 CG LYS B 45 8.817 10.042 -0.907 1.00 0.75 C ATOM 1934 CD LYS B 45 8.675 8.769 -0.095 1.00 0.96 C ATOM 1935 CE LYS B 45 9.407 8.872 1.230 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.467 8.916 2.383 1.00 1.74 N ATOM 0 H LYS B 45 8.329 12.139 -2.737 1.00 0.52 H new ATOM 0 HA LYS B 45 10.703 10.602 -2.783 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.742 9.908 -2.748 1.00 0.61 H new ATOM 0 HB3 LYS B 45 9.014 8.716 -2.570 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.761 10.528 -0.661 1.00 0.75 H new ATOM 0 HG3 LYS B 45 8.022 10.737 -0.638 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.619 8.567 0.086 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.068 7.927 -0.665 1.00 0.96 H new ATOM 0 HE2 LYS B 45 10.078 8.020 1.341 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.027 9.768 1.233 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 8.932 8.520 3.225 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.193 9.902 2.570 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 7.619 8.357 2.161 1.00 1.74 H new ATOM 1950 N HIS B 46 8.906 10.646 -5.492 1.00 0.52 N ATOM 1951 CA HIS B 46 8.895 10.256 -6.895 1.00 0.55 C ATOM 1952 C HIS B 46 10.003 10.963 -7.664 1.00 0.56 C ATOM 1953 O HIS B 46 10.694 10.343 -8.473 1.00 0.58 O ATOM 1954 CB HIS B 46 7.538 10.557 -7.534 1.00 0.59 C ATOM 1955 CG HIS B 46 7.393 9.993 -8.914 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.351 10.779 -10.045 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.290 8.713 -9.343 1.00 0.81 C ATOM 1958 CE1 HIS B 46 7.228 10.008 -11.108 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.191 8.751 -10.713 1.00 0.99 N ATOM 0 H HIS B 46 8.195 11.331 -5.236 1.00 0.52 H new ATOM 0 HA HIS B 46 9.071 9.181 -6.942 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.748 10.154 -6.900 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.395 11.637 -7.574 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.286 7.828 -8.724 1.00 0.81 H new ATOM 0 HE1 HIS B 46 7.168 10.349 -12.131 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.103 7.939 -11.324 1.00 0.99 H new ATOM 1968 N THR B 47 10.183 12.250 -7.401 1.00 0.59 N ATOM 1969 CA THR B 47 11.230 13.019 -8.060 1.00 0.64 C ATOM 1970 C THR B 47 12.608 12.492 -7.669 1.00 0.62 C ATOM 1971 O THR B 47 13.465 12.263 -8.528 1.00 0.65 O ATOM 1972 CB THR B 47 11.125 14.517 -7.717 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.744 14.900 -7.642 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.831 15.364 -8.764 1.00 0.79 C ATOM 0 H THR B 47 9.620 12.782 -6.738 1.00 0.59 H new ATOM 0 HA THR B 47 11.096 12.904 -9.136 1.00 0.64 H new ATOM 0 HB THR B 47 11.607 14.684 -6.754 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.680 15.853 -7.422 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.743 16.418 -8.499 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.884 15.087 -8.806 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.373 15.195 -9.738 1.00 0.79 H new ATOM 1982 N ARG B 48 12.771 12.187 -6.387 1.00 0.59 N ATOM 1983 CA ARG B 48 14.002 11.583 -5.895 1.00 0.61 C ATOM 1984 C ARG B 48 14.189 10.193 -6.494 1.00 0.54 C ATOM 1985 O ARG B 48 15.298 9.812 -6.865 1.00 0.56 O ATOM 1986 CB ARG B 48 13.980 11.493 -4.371 1.00 0.66 C ATOM 1987 CG ARG B 48 15.349 11.654 -3.728 1.00 0.93 C ATOM 1988 CD ARG B 48 15.254 12.357 -2.384 1.00 1.46 C ATOM 1989 NE ARG B 48 16.545 12.416 -1.700 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.756 13.045 -0.546 1.00 1.70 C ATOM 1991 NH1 ARG B 48 15.774 13.722 0.038 1.00 1.82 N ATOM 1992 NH2 ARG B 48 17.955 13.004 0.018 1.00 2.26 N ATOM 0 H ARG B 48 12.065 12.349 -5.669 1.00 0.59 H new ATOM 0 HA ARG B 48 14.838 12.213 -6.199 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.313 12.261 -3.980 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.563 10.529 -4.079 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.807 10.674 -3.596 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.999 12.223 -4.392 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.876 13.369 -2.531 1.00 1.46 H new ATOM 0 HD3 ARG B 48 14.534 11.836 -1.753 1.00 1.46 H new ATOM 0 HE ARG B 48 17.337 11.944 -2.136 1.00 1.67 H new ATOM 0 HH11 ARG B 48 14.853 13.762 -0.398 1.00 1.82 H new ATOM 0 HH12 ARG B 48 15.941 14.202 0.922 1.00 1.82 H new ATOM 0 HH21 ARG B 48 18.713 12.491 -0.432 1.00 2.26 H new ATOM 0 HH22 ARG B 48 18.119 13.485 0.902 1.00 2.26 H new ATOM 2006 N PHE B 49 13.091 9.458 -6.630 1.00 0.49 N ATOM 2007 CA PHE B 49 13.128 8.121 -7.210 1.00 0.45 C ATOM 2008 C PHE B 49 13.555 8.171 -8.670 1.00 0.47 C ATOM 2009 O PHE B 49 14.318 7.325 -9.123 1.00 0.48 O ATOM 2010 CB PHE B 49 11.763 7.442 -7.090 1.00 0.48 C ATOM 2011 CG PHE B 49 11.761 6.263 -6.161 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.932 5.573 -5.890 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.586 5.844 -5.559 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.932 4.489 -5.037 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.581 4.761 -4.705 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.755 4.081 -4.445 1.00 0.85 C ATOM 0 H PHE B 49 12.162 9.767 -6.345 1.00 0.49 H new ATOM 0 HA PHE B 49 13.862 7.538 -6.654 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.033 8.172 -6.740 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.440 7.116 -8.079 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.856 5.888 -6.352 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.665 6.370 -5.760 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.852 3.961 -4.833 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.659 4.445 -4.240 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.751 3.231 -3.779 1.00 0.85 H new ATOM 2026 N LYS B 50 13.089 9.186 -9.388 1.00 0.50 N ATOM 2027 CA LYS B 50 13.457 9.368 -10.789 1.00 0.54 C ATOM 2028 C LYS B 50 14.965 9.544 -10.915 1.00 0.53 C ATOM 2029 O LYS B 50 15.620 8.860 -11.707 1.00 0.52 O ATOM 2030 CB LYS B 50 12.738 10.584 -11.370 1.00 0.63 C ATOM 2031 CG LYS B 50 11.434 10.245 -12.076 1.00 0.91 C ATOM 2032 CD LYS B 50 11.584 10.314 -13.587 1.00 1.54 C ATOM 2033 CE LYS B 50 11.370 11.728 -14.105 1.00 2.02 C ATOM 2034 NZ LYS B 50 12.500 12.183 -14.955 1.00 2.55 N ATOM 0 H LYS B 50 12.455 9.897 -9.024 1.00 0.50 H new ATOM 0 HA LYS B 50 13.156 8.482 -11.348 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.532 11.291 -10.567 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.402 11.085 -12.074 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.112 9.245 -11.787 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.655 10.936 -11.755 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.578 9.968 -13.871 1.00 1.54 H new ATOM 0 HD3 LYS B 50 10.866 9.641 -14.056 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.444 11.768 -14.679 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.252 12.409 -13.262 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 12.316 13.151 -15.288 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 13.379 12.169 -14.400 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.597 11.548 -15.773 1.00 2.55 H new ATOM 2048 N ALA B 51 15.515 10.390 -10.054 1.00 0.56 N ATOM 2049 CA ALA B 51 16.952 10.613 -9.999 1.00 0.61 C ATOM 2050 C ALA B 51 17.685 9.341 -9.592 1.00 0.57 C ATOM 2051 O ALA B 51 18.707 8.984 -10.179 1.00 0.58 O ATOM 2052 CB ALA B 51 17.267 11.738 -9.031 1.00 0.71 C ATOM 0 H ALA B 51 14.981 10.937 -9.379 1.00 0.56 H new ATOM 0 HA ALA B 51 17.295 10.896 -10.994 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.345 11.897 -8.997 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.775 12.652 -9.363 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.908 11.474 -8.037 1.00 0.71 H new ATOM 2058 N ALA B 52 17.128 8.634 -8.613 1.00 0.55 N ATOM 2059 CA ALA B 52 17.702 7.379 -8.144 1.00 0.59 C ATOM 2060 C ALA B 52 17.750 6.344 -9.263 1.00 0.51 C ATOM 2061 O ALA B 52 18.761 5.668 -9.452 1.00 0.54 O ATOM 2062 CB ALA B 52 16.900 6.847 -6.969 1.00 0.67 C ATOM 0 H ALA B 52 16.275 8.912 -8.127 1.00 0.55 H new ATOM 0 HA ALA B 52 18.725 7.572 -7.820 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.336 5.909 -6.625 1.00 0.67 H new ATOM 0 HB2 ALA B 52 16.918 7.574 -6.157 1.00 0.67 H new ATOM 0 HB3 ALA B 52 15.869 6.675 -7.280 1.00 0.67 H new ATOM 2068 N CYS B 53 16.664 6.253 -10.023 1.00 0.48 N ATOM 2069 CA CYS B 53 16.579 5.321 -11.141 1.00 0.53 C ATOM 2070 C CYS B 53 17.603 5.670 -12.216 1.00 0.50 C ATOM 2071 O CYS B 53 18.131 4.789 -12.886 1.00 0.56 O ATOM 2072 CB CYS B 53 15.172 5.331 -11.739 1.00 0.68 C ATOM 2073 SG CYS B 53 13.871 4.846 -10.584 1.00 1.15 S ATOM 0 H CYS B 53 15.826 6.817 -9.884 1.00 0.48 H new ATOM 0 HA CYS B 53 16.797 4.321 -10.765 1.00 0.53 H new ATOM 0 HB2 CYS B 53 14.956 6.332 -12.113 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.149 4.659 -12.597 1.00 0.68 H new ATOM 0 HG CYS B 53 13.790 5.724 -9.629 1.00 1.15 H new ATOM 2079 N ALA B 54 17.891 6.957 -12.362 1.00 0.51 N ATOM 2080 CA ALA B 54 18.877 7.413 -13.335 1.00 0.59 C ATOM 2081 C ALA B 54 20.287 7.132 -12.835 1.00 0.59 C ATOM 2082 O ALA B 54 21.137 6.639 -13.578 1.00 0.70 O ATOM 2083 CB ALA B 54 18.691 8.897 -13.620 1.00 0.69 C ATOM 0 H ALA B 54 17.456 7.704 -11.820 1.00 0.51 H new ATOM 0 HA ALA B 54 18.730 6.864 -14.265 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.434 9.224 -14.348 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.691 9.068 -14.020 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.814 9.463 -12.697 1.00 0.69 H new ATOM 2089 N ARG B 55 20.517 7.438 -11.562 1.00 0.55 N ATOM 2090 CA ARG B 55 21.816 7.230 -10.930 1.00 0.64 C ATOM 2091 C ARG B 55 22.194 5.753 -10.923 1.00 0.59 C ATOM 2092 O ARG B 55 23.327 5.385 -11.235 1.00 0.76 O ATOM 2093 CB ARG B 55 21.792 7.763 -9.495 1.00 0.72 C ATOM 2094 CG ARG B 55 23.030 8.555 -9.111 1.00 1.03 C ATOM 2095 CD ARG B 55 22.754 10.051 -9.105 1.00 1.37 C ATOM 2096 NE ARG B 55 21.782 10.433 -8.082 1.00 1.97 N ATOM 2097 CZ ARG B 55 20.984 11.496 -8.170 1.00 2.64 C ATOM 2098 NH1 ARG B 55 20.997 12.253 -9.262 1.00 2.89 N ATOM 2099 NH2 ARG B 55 20.161 11.787 -7.172 1.00 3.60 N ATOM 0 H ARG B 55 19.812 7.835 -10.941 1.00 0.55 H new ATOM 0 HA ARG B 55 22.563 7.773 -11.508 1.00 0.64 H new ATOM 0 HB2 ARG B 55 20.914 8.396 -9.368 1.00 0.72 H new ATOM 0 HB3 ARG B 55 21.682 6.924 -8.808 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.371 8.243 -8.124 1.00 1.03 H new ATOM 0 HG3 ARG B 55 23.836 8.335 -9.811 1.00 1.03 H new ATOM 0 HD2 ARG B 55 23.687 10.589 -8.936 1.00 1.37 H new ATOM 0 HD3 ARG B 55 22.385 10.354 -10.085 1.00 1.37 H new ATOM 0 HE ARG B 55 21.710 9.849 -7.249 1.00 1.97 H new ATOM 0 HH11 ARG B 55 21.619 12.021 -10.036 1.00 2.89 H new ATOM 0 HH12 ARG B 55 20.385 13.066 -9.326 1.00 2.89 H new ATOM 0 HH21 ARG B 55 20.140 11.198 -6.340 1.00 3.60 H new ATOM 0 HH22 ARG B 55 19.549 12.600 -7.236 1.00 3.60 H new ATOM 2113 N LYS B 56 21.244 4.912 -10.538 1.00 0.47 N ATOM 2114 CA LYS B 56 21.479 3.477 -10.449 1.00 0.52 C ATOM 2115 C LYS B 56 21.325 2.812 -11.812 1.00 0.51 C ATOM 2116 O LYS B 56 21.860 1.730 -12.050 1.00 0.60 O ATOM 2117 CB LYS B 56 20.518 2.847 -9.438 1.00 0.61 C ATOM 2118 CG LYS B 56 21.193 2.438 -8.137 1.00 0.74 C ATOM 2119 CD LYS B 56 22.049 3.559 -7.558 1.00 0.91 C ATOM 2120 CE LYS B 56 21.204 4.663 -6.939 1.00 1.62 C ATOM 2121 NZ LYS B 56 21.933 5.388 -5.866 1.00 1.85 N ATOM 0 H LYS B 56 20.300 5.200 -10.281 1.00 0.47 H new ATOM 0 HA LYS B 56 22.503 3.319 -10.110 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.719 3.555 -9.217 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.052 1.971 -9.888 1.00 0.61 H new ATOM 0 HG2 LYS B 56 20.434 2.150 -7.410 1.00 0.74 H new ATOM 0 HG3 LYS B 56 21.816 1.561 -8.312 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.719 3.149 -6.802 1.00 0.91 H new ATOM 0 HD3 LYS B 56 22.675 3.980 -8.345 1.00 0.91 H new ATOM 0 HE2 LYS B 56 20.905 5.368 -7.714 1.00 1.62 H new ATOM 0 HE3 LYS B 56 20.290 4.233 -6.529 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 21.321 6.131 -5.472 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 22.196 4.721 -5.113 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 22.792 5.821 -6.261 1.00 1.85 H new ATOM 2135 N GLY B 57 20.596 3.468 -12.705 1.00 0.46 N ATOM 2136 CA GLY B 57 20.379 2.929 -14.031 1.00 0.51 C ATOM 2137 C GLY B 57 19.511 1.689 -14.004 1.00 0.59 C ATOM 2138 O GLY B 57 19.877 0.654 -14.558 1.00 0.75 O ATOM 0 H GLY B 57 20.149 4.369 -12.532 1.00 0.46 H new ATOM 0 HA2 GLY B 57 19.909 3.687 -14.658 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.340 2.689 -14.487 1.00 0.51 H new ATOM 2142 N THR B 58 18.383 1.781 -13.320 1.00 0.63 N ATOM 2143 CA THR B 58 17.491 0.648 -13.176 1.00 0.77 C ATOM 2144 C THR B 58 16.042 1.124 -13.040 1.00 0.62 C ATOM 2145 O THR B 58 15.778 2.329 -13.025 1.00 0.57 O ATOM 2146 CB THR B 58 17.901 -0.219 -11.962 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.336 -1.533 -12.061 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.475 0.430 -10.652 1.00 0.92 C ATOM 0 H THR B 58 18.065 2.632 -12.856 1.00 0.63 H new ATOM 0 HA THR B 58 17.567 0.032 -14.072 1.00 0.77 H new ATOM 0 HB THR B 58 18.988 -0.300 -11.970 1.00 1.02 H new ATOM 0 HG1 THR B 58 17.609 -2.066 -11.285 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.777 -0.203 -9.817 1.00 0.92 H new ATOM 0 HG22 THR B 58 17.951 1.406 -10.558 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.392 0.552 -10.642 1.00 0.92 H new ATOM 2156 N SER B 59 15.113 0.180 -13.038 1.00 0.66 N ATOM 2157 CA SER B 59 13.691 0.492 -13.005 1.00 0.66 C ATOM 2158 C SER B 59 13.227 0.867 -11.600 1.00 0.62 C ATOM 2159 O SER B 59 13.920 0.606 -10.614 1.00 0.66 O ATOM 2160 CB SER B 59 12.908 -0.708 -13.526 1.00 0.78 C ATOM 2161 OG SER B 59 13.789 -1.676 -14.075 1.00 0.87 O ATOM 0 H SER B 59 15.321 -0.818 -13.059 1.00 0.66 H new ATOM 0 HA SER B 59 13.509 1.358 -13.642 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.330 -1.152 -12.716 1.00 0.78 H new ATOM 0 HB3 SER B 59 12.196 -0.384 -14.285 1.00 0.78 H new ATOM 0 HG SER B 59 13.992 -2.355 -13.398 1.00 0.87 H new ATOM 2167 N ILE B 60 12.059 1.502 -11.523 1.00 0.66 N ATOM 2168 CA ILE B 60 11.508 1.974 -10.258 1.00 0.73 C ATOM 2169 C ILE B 60 11.269 0.822 -9.281 1.00 0.76 C ATOM 2170 O ILE B 60 11.357 0.996 -8.068 1.00 0.85 O ATOM 2171 CB ILE B 60 10.194 2.765 -10.477 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.770 3.471 -9.186 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.078 1.857 -10.980 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.553 4.960 -9.350 1.00 0.91 C ATOM 0 H ILE B 60 11.472 1.702 -12.333 1.00 0.66 H new ATOM 0 HA ILE B 60 12.249 2.644 -9.821 1.00 0.73 H new ATOM 0 HB ILE B 60 10.382 3.519 -11.242 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.849 3.017 -8.819 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.532 3.306 -8.425 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.170 2.442 -11.124 1.00 1.00 H new ATOM 0 HG22 ILE B 60 9.374 1.408 -11.928 1.00 1.00 H new ATOM 0 HG23 ILE B 60 8.891 1.071 -10.249 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.255 5.392 -8.395 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.478 5.428 -9.686 1.00 0.91 H new ATOM 0 HD13 ILE B 60 8.769 5.134 -10.087 1.00 0.91 H new ATOM 2186 N THR B 61 10.995 -0.357 -9.808 1.00 0.79 N ATOM 2187 CA THR B 61 10.761 -1.514 -8.971 1.00 0.85 C ATOM 2188 C THR B 61 12.057 -2.007 -8.331 1.00 0.77 C ATOM 2189 O THR B 61 12.071 -2.478 -7.189 1.00 0.75 O ATOM 2190 CB THR B 61 10.133 -2.659 -9.781 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.732 -2.180 -11.073 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.938 -3.249 -9.051 1.00 1.14 C ATOM 0 H THR B 61 10.930 -0.536 -10.810 1.00 0.79 H new ATOM 0 HA THR B 61 10.072 -1.207 -8.185 1.00 0.85 H new ATOM 0 HB THR B 61 10.880 -3.444 -9.903 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.334 -2.915 -11.585 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.512 -4.057 -9.645 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.258 -3.639 -8.085 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.186 -2.475 -8.899 1.00 1.14 H new ATOM 2200 N ASP B 62 13.136 -1.956 -9.102 1.00 0.74 N ATOM 2201 CA ASP B 62 14.413 -2.505 -8.669 1.00 0.73 C ATOM 2202 C ASP B 62 15.083 -1.622 -7.622 1.00 0.62 C ATOM 2203 O ASP B 62 15.729 -2.126 -6.698 1.00 0.61 O ATOM 2204 CB ASP B 62 15.338 -2.708 -9.871 1.00 0.82 C ATOM 2205 CG ASP B 62 14.743 -3.651 -10.900 1.00 1.16 C ATOM 2206 OD1 ASP B 62 14.721 -4.877 -10.653 1.00 1.68 O ATOM 2207 OD2 ASP B 62 14.272 -3.171 -11.955 1.00 1.81 O ATOM 0 H ASP B 62 13.151 -1.539 -10.033 1.00 0.74 H new ATOM 0 HA ASP B 62 14.217 -3.471 -8.204 1.00 0.73 H new ATOM 0 HB2 ASP B 62 15.540 -1.744 -10.338 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.294 -3.103 -9.529 1.00 0.82 H new ATOM 2212 N VAL B 63 14.869 -0.311 -7.701 1.00 0.60 N ATOM 2213 CA VAL B 63 15.412 0.586 -6.686 1.00 0.57 C ATOM 2214 C VAL B 63 14.704 0.372 -5.353 1.00 0.56 C ATOM 2215 O VAL B 63 15.342 0.387 -4.303 1.00 0.59 O ATOM 2216 CB VAL B 63 15.333 2.081 -7.079 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.553 2.491 -7.886 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.061 2.387 -7.851 1.00 1.01 C ATOM 0 H VAL B 63 14.335 0.146 -8.440 1.00 0.60 H new ATOM 0 HA VAL B 63 16.469 0.335 -6.597 1.00 0.57 H new ATOM 0 HB VAL B 63 15.313 2.662 -6.157 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.476 3.545 -8.151 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.453 2.331 -7.292 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.607 1.891 -8.795 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.039 3.445 -8.111 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.036 1.789 -8.762 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.195 2.146 -7.235 1.00 1.01 H new ATOM 2228 N VAL B 64 13.417 0.034 -5.409 1.00 0.55 N ATOM 2229 CA VAL B 64 12.678 -0.317 -4.201 1.00 0.56 C ATOM 2230 C VAL B 64 13.204 -1.626 -3.629 1.00 0.55 C ATOM 2231 O VAL B 64 13.342 -1.782 -2.414 1.00 0.57 O ATOM 2232 CB VAL B 64 11.162 -0.443 -4.458 1.00 0.57 C ATOM 2233 CG1 VAL B 64 10.419 -0.721 -3.160 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.613 0.814 -5.113 1.00 0.67 C ATOM 0 H VAL B 64 12.870 -0.004 -6.269 1.00 0.55 H new ATOM 0 HA VAL B 64 12.829 0.492 -3.487 1.00 0.56 H new ATOM 0 HB VAL B 64 11.008 -1.281 -5.138 1.00 0.57 H new ATOM 0 HG11 VAL B 64 9.351 -0.806 -3.363 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.781 -1.653 -2.726 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.591 0.097 -2.460 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.543 0.698 -5.283 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.786 1.670 -4.460 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.116 0.977 -6.066 1.00 0.67 H new ATOM 2244 N ASN B 65 13.594 -2.530 -4.516 1.00 0.55 N ATOM 2245 CA ASN B 65 14.192 -3.791 -4.100 1.00 0.56 C ATOM 2246 C ASN B 65 15.523 -3.544 -3.387 1.00 0.56 C ATOM 2247 O ASN B 65 15.919 -4.314 -2.513 1.00 0.56 O ATOM 2248 CB ASN B 65 14.401 -4.712 -5.304 1.00 0.58 C ATOM 2249 CG ASN B 65 14.002 -6.149 -5.014 1.00 0.77 C ATOM 2250 OD1 ASN B 65 14.142 -6.636 -3.889 1.00 0.86 O ATOM 2251 ND2 ASN B 65 13.490 -6.832 -6.027 1.00 1.46 N ATOM 0 H ASN B 65 13.508 -2.415 -5.526 1.00 0.55 H new ATOM 0 HA ASN B 65 13.509 -4.279 -3.405 1.00 0.56 H new ATOM 0 HB2 ASN B 65 13.819 -4.340 -6.147 1.00 0.58 H new ATOM 0 HB3 ASN B 65 15.449 -4.683 -5.602 1.00 0.58 H new ATOM 0 HD21 ASN B 65 13.194 -7.799 -5.892 1.00 1.46 H new ATOM 0 HD22 ASN B 65 13.392 -6.391 -6.942 1.00 1.46 H new ATOM 2258 N GLN B 66 16.184 -2.446 -3.736 1.00 0.58 N ATOM 2259 CA GLN B 66 17.446 -2.072 -3.103 1.00 0.60 C ATOM 2260 C GLN B 66 17.225 -1.539 -1.687 1.00 0.58 C ATOM 2261 O GLN B 66 17.955 -1.896 -0.758 1.00 0.61 O ATOM 2262 CB GLN B 66 18.174 -1.020 -3.944 1.00 0.65 C ATOM 2263 CG GLN B 66 19.536 -1.465 -4.460 1.00 0.84 C ATOM 2264 CD GLN B 66 20.034 -2.740 -3.809 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.660 -2.707 -2.750 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.771 -3.874 -4.441 1.00 1.70 N ATOM 0 H GLN B 66 15.867 -1.797 -4.456 1.00 0.58 H new ATOM 0 HA GLN B 66 18.060 -2.970 -3.038 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.546 -0.753 -4.794 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.302 -0.118 -3.346 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.478 -1.614 -5.538 1.00 0.84 H new ATOM 0 HG3 GLN B 66 20.261 -0.669 -4.287 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.249 -3.860 -5.317 1.00 1.70 H new ATOM 0 HE22 GLN B 66 20.090 -4.761 -4.051 1.00 1.70 H new ATOM 2275 N LEU B 67 16.219 -0.689 -1.513 1.00 0.55 N ATOM 2276 CA LEU B 67 15.932 -0.139 -0.191 1.00 0.55 C ATOM 2277 C LEU B 67 15.372 -1.217 0.725 1.00 0.50 C ATOM 2278 O LEU B 67 15.747 -1.308 1.896 1.00 0.50 O ATOM 2279 CB LEU B 67 14.968 1.048 -0.251 1.00 0.57 C ATOM 2280 CG LEU B 67 14.001 1.079 -1.427 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.584 0.849 -0.943 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.101 2.408 -2.160 1.00 0.67 C ATOM 0 H LEU B 67 15.597 -0.369 -2.256 1.00 0.55 H new ATOM 0 HA LEU B 67 16.877 0.226 0.213 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.385 1.061 0.670 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.557 1.965 -0.269 1.00 0.57 H new ATOM 0 HG LEU B 67 14.268 0.281 -2.120 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.901 0.873 -1.792 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.520 -0.123 -0.453 1.00 0.97 H new ATOM 0 HD13 LEU B 67 12.310 1.631 -0.235 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.404 2.415 -2.998 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.854 3.220 -1.476 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.117 2.543 -2.532 1.00 0.67 H new ATOM 2294 N VAL B 68 14.528 -2.082 0.166 1.00 0.48 N ATOM 2295 CA VAL B 68 13.983 -3.195 0.923 1.00 0.45 C ATOM 2296 C VAL B 68 15.074 -4.227 1.198 1.00 0.42 C ATOM 2297 O VAL B 68 15.042 -4.909 2.217 1.00 0.40 O ATOM 2298 CB VAL B 68 12.779 -3.855 0.208 1.00 0.46 C ATOM 2299 CG1 VAL B 68 13.225 -4.829 -0.871 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.884 -4.553 1.217 1.00 1.07 C ATOM 0 H VAL B 68 14.211 -2.030 -0.802 1.00 0.48 H new ATOM 0 HA VAL B 68 13.615 -2.799 1.870 1.00 0.45 H new ATOM 0 HB VAL B 68 12.213 -3.063 -0.282 1.00 0.46 H new ATOM 0 HG11 VAL B 68 12.349 -5.270 -1.348 1.00 0.99 H new ATOM 0 HG12 VAL B 68 13.816 -4.299 -1.618 1.00 0.99 H new ATOM 0 HG13 VAL B 68 13.829 -5.617 -0.422 1.00 0.99 H new ATOM 0 HG21 VAL B 68 11.042 -5.012 0.700 1.00 1.07 H new ATOM 0 HG22 VAL B 68 12.454 -5.323 1.738 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.513 -3.825 1.939 1.00 1.07 H new ATOM 2310 N ASP B 69 16.103 -4.230 0.351 1.00 0.47 N ATOM 2311 CA ASP B 69 17.281 -5.068 0.563 1.00 0.49 C ATOM 2312 C ASP B 69 17.925 -4.728 1.892 1.00 0.48 C ATOM 2313 O ASP B 69 18.075 -5.584 2.767 1.00 0.49 O ATOM 2314 CB ASP B 69 18.311 -4.840 -0.549 1.00 0.60 C ATOM 2315 CG ASP B 69 18.830 -6.131 -1.146 1.00 0.84 C ATOM 2316 OD1 ASP B 69 18.007 -6.943 -1.618 1.00 1.09 O ATOM 2317 OD2 ASP B 69 20.059 -6.343 -1.148 1.00 1.46 O ATOM 0 H ASP B 69 16.143 -3.658 -0.492 1.00 0.47 H new ATOM 0 HA ASP B 69 16.961 -6.110 0.556 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.860 -4.237 -1.337 1.00 0.60 H new ATOM 0 HB3 ASP B 69 19.148 -4.268 -0.150 1.00 0.60 H new ATOM 2322 N ASN B 70 18.286 -3.462 2.031 1.00 0.55 N ATOM 2323 CA ASN B 70 18.930 -2.967 3.238 1.00 0.61 C ATOM 2324 C ASN B 70 18.094 -3.271 4.475 1.00 0.56 C ATOM 2325 O ASN B 70 18.555 -3.946 5.390 1.00 0.60 O ATOM 2326 CB ASN B 70 19.167 -1.461 3.132 1.00 0.74 C ATOM 2327 CG ASN B 70 19.973 -0.919 4.296 1.00 1.37 C ATOM 2328 OD1 ASN B 70 19.476 -0.129 5.097 1.00 1.88 O ATOM 2329 ND2 ASN B 70 21.225 -1.334 4.395 1.00 2.19 N ATOM 0 H ASN B 70 18.142 -2.751 1.314 1.00 0.55 H new ATOM 0 HA ASN B 70 19.888 -3.478 3.338 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.688 -1.243 2.200 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.207 -0.947 3.088 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.815 -0.998 5.156 1.00 2.19 H new ATOM 0 HD22 ASN B 70 21.600 -1.990 3.710 1.00 2.19 H new ATOM 2336 N TRP B 71 16.870 -2.759 4.495 1.00 0.54 N ATOM 2337 CA TRP B 71 15.989 -2.920 5.646 1.00 0.54 C ATOM 2338 C TRP B 71 15.730 -4.391 5.978 1.00 0.47 C ATOM 2339 O TRP B 71 15.862 -4.803 7.128 1.00 0.53 O ATOM 2340 CB TRP B 71 14.656 -2.208 5.398 1.00 0.57 C ATOM 2341 CG TRP B 71 13.734 -2.230 6.582 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.656 -1.293 7.572 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.760 -3.235 6.903 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.700 -1.654 8.491 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.138 -2.846 8.105 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.360 -4.431 6.293 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.135 -3.605 8.705 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.363 -5.184 6.887 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.763 -4.769 8.085 1.00 0.74 C ATOM 0 H TRP B 71 16.463 -2.227 3.725 1.00 0.54 H new ATOM 0 HA TRP B 71 16.496 -2.471 6.500 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.853 -1.172 5.120 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.156 -2.676 4.550 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.258 -0.398 7.625 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.449 -1.123 9.325 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.822 -4.760 5.374 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.668 -3.287 9.625 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.042 -6.104 6.422 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.991 -5.380 8.528 1.00 0.74 H new ATOM 2360 N LEU B 72 15.246 -5.144 5.000 1.00 0.42 N ATOM 2361 CA LEU B 72 14.794 -6.513 5.238 1.00 0.44 C ATOM 2362 C LEU B 72 15.884 -7.392 5.827 1.00 0.55 C ATOM 2363 O LEU B 72 15.600 -8.310 6.597 1.00 0.65 O ATOM 2364 CB LEU B 72 14.292 -7.139 3.944 1.00 0.50 C ATOM 2365 CG LEU B 72 13.071 -8.030 4.098 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.951 -7.547 3.196 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.430 -9.475 3.797 1.00 0.60 C ATOM 0 H LEU B 72 15.155 -4.832 4.033 1.00 0.42 H new ATOM 0 HA LEU B 72 13.984 -6.452 5.964 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.056 -6.342 3.239 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.099 -7.725 3.504 1.00 0.50 H new ATOM 0 HG LEU B 72 12.723 -7.976 5.130 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.082 -8.194 3.316 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.682 -6.525 3.465 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.283 -7.574 2.158 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.545 -10.101 3.912 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.800 -9.553 2.775 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.203 -9.809 4.489 1.00 0.60 H new ATOM 2379 N LYS B 73 17.106 -7.198 5.367 1.00 0.63 N ATOM 2380 CA LYS B 73 18.193 -8.075 5.762 1.00 0.83 C ATOM 2381 C LYS B 73 18.934 -7.535 6.986 1.00 0.97 C ATOM 2382 O LYS B 73 19.653 -8.275 7.657 1.00 1.13 O ATOM 2383 CB LYS B 73 19.142 -8.279 4.579 1.00 0.96 C ATOM 2384 CG LYS B 73 18.406 -8.555 3.270 1.00 0.92 C ATOM 2385 CD LYS B 73 19.351 -8.981 2.155 1.00 1.16 C ATOM 2386 CE LYS B 73 20.359 -7.895 1.817 1.00 1.41 C ATOM 2387 NZ LYS B 73 21.094 -8.197 0.560 1.00 1.79 N ATOM 0 H LYS B 73 17.370 -6.449 4.726 1.00 0.63 H new ATOM 0 HA LYS B 73 17.776 -9.040 6.049 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.764 -7.391 4.461 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.812 -9.111 4.796 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.663 -9.336 3.431 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.866 -7.659 2.963 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.880 -9.886 2.454 1.00 1.16 H new ATOM 0 HD3 LYS B 73 18.773 -9.229 1.265 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.844 -6.939 1.717 1.00 1.41 H new ATOM 0 HE3 LYS B 73 21.069 -7.790 2.637 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 22.118 -8.179 0.743 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 20.820 -9.139 0.216 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.859 -7.484 -0.160 1.00 1.79 H new ATOM 2401 N GLU B 74 18.760 -6.251 7.280 1.00 0.99 N ATOM 2402 CA GLU B 74 19.420 -5.643 8.434 1.00 1.22 C ATOM 2403 C GLU B 74 18.495 -5.596 9.658 1.00 1.27 C ATOM 2404 O GLU B 74 18.964 -5.617 10.796 1.00 1.50 O ATOM 2405 CB GLU B 74 19.937 -4.240 8.081 1.00 1.37 C ATOM 2406 CG GLU B 74 19.031 -3.098 8.520 1.00 1.81 C ATOM 2407 CD GLU B 74 19.746 -2.106 9.409 1.00 2.23 C ATOM 2408 OE1 GLU B 74 20.822 -1.612 9.015 1.00 2.51 O ATOM 2409 OE2 GLU B 74 19.244 -1.819 10.513 1.00 2.78 O ATOM 0 H GLU B 74 18.173 -5.614 6.741 1.00 0.99 H new ATOM 0 HA GLU B 74 20.272 -6.270 8.697 1.00 1.22 H new ATOM 0 HB2 GLU B 74 20.917 -4.104 8.537 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.077 -4.180 7.002 1.00 1.37 H new ATOM 0 HG2 GLU B 74 18.648 -2.583 7.639 1.00 1.81 H new ATOM 0 HG3 GLU B 74 18.170 -3.504 9.052 1.00 1.81 H new ATOM 2416 N ASN B 75 17.196 -5.435 9.420 1.00 1.11 N ATOM 2417 CA ASN B 75 16.229 -5.266 10.506 1.00 1.21 C ATOM 2418 C ASN B 75 15.910 -6.596 11.181 1.00 1.14 C ATOM 2419 O ASN B 75 15.528 -6.633 12.354 1.00 1.29 O ATOM 2420 CB ASN B 75 14.941 -4.612 9.981 1.00 1.28 C ATOM 2421 CG ASN B 75 13.718 -5.510 10.087 1.00 1.61 C ATOM 2422 OD1 ASN B 75 12.972 -5.454 11.066 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.497 -6.340 9.075 1.00 1.97 N ATOM 0 H ASN B 75 16.787 -5.418 8.486 1.00 1.11 H new ATOM 0 HA ASN B 75 16.679 -4.612 11.252 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.757 -3.693 10.538 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.085 -4.330 8.938 1.00 1.28 H new ATOM 0 HD21 ASN B 75 12.687 -6.960 9.091 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.137 -6.358 8.281 1.00 1.97 H new ATOM 2430 N GLU B 76 16.058 -7.682 10.441 1.00 1.01 N ATOM 2431 CA GLU B 76 15.750 -9.000 10.956 1.00 1.08 C ATOM 2432 C GLU B 76 16.698 -10.020 10.349 1.00 1.38 C ATOM 2433 O GLU B 76 16.957 -11.057 10.994 1.00 1.93 O ATOM 2434 CB GLU B 76 14.298 -9.364 10.637 1.00 1.36 C ATOM 2435 CG GLU B 76 13.593 -10.128 11.748 1.00 1.88 C ATOM 2436 CD GLU B 76 13.501 -9.344 13.040 1.00 2.20 C ATOM 2437 OE1 GLU B 76 14.432 -9.436 13.868 1.00 2.52 O ATOM 2438 OE2 GLU B 76 12.512 -8.603 13.224 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.189 -9.772 9.232 1.00 1.90 O ATOM 0 H GLU B 76 16.391 -7.673 9.477 1.00 1.01 H new ATOM 0 HA GLU B 76 15.876 -9.001 12.039 1.00 1.08 H new ATOM 0 HB2 GLU B 76 13.742 -8.450 10.430 1.00 1.36 H new ATOM 0 HB3 GLU B 76 14.276 -9.964 9.727 1.00 1.36 H new ATOM 0 HG2 GLU B 76 12.588 -10.393 11.418 1.00 1.88 H new ATOM 0 HG3 GLU B 76 14.124 -11.062 11.933 1.00 1.88 H new