USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 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: B 58 THR OG1 : rot -148:sc= -1.97! USER MOD Set 1.2: B 66 GLN : amide:sc= -0.0175 X(o=-2,f=-2) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 176:sc= 0.773 (180deg=0) USER MOD Set 2.2: B 75 ASN : amide:sc= 0.687 K(o=1.5,f=-3.2) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 176:sc= 2.4 (180deg=1.01) USER MOD Set 3.2: B 65 ASN : amide:sc= 0.846 K(o=3.2,f=-6.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.7!) USER MOD Single : A 46 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.019) USER MOD Single : A 47 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -65:sc= 0.955 USER MOD Single : A 58 THR OG1 : rot -167:sc= 0.626 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0932 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 1.2 K(o=1.2,f=-1) USER MOD Single : A 70 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= 1 (180deg=0.159) USER MOD Single : B 33 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.06) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -1.21! C(o=-1.2!,f=-8.6!) USER MOD Single : B 45 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) USER MOD Single : B 46 HIS : no HD1:sc=-0.00347 X(o=-0.0035,f=-0.1) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot -32:sc= 1.15 USER MOD Single : B 56 LYS NZ :NH3+ 155:sc= -0.091 (180deg=-0.427) USER MOD Single : B 59 SER OG : rot 180:sc= -1.29 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 73 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 1.093 12.873 -3.312 1.00 0.64 N ATOM 519 CA ILE A 34 1.502 11.485 -3.209 1.00 0.59 C ATOM 520 C ILE A 34 1.592 10.845 -4.593 1.00 0.52 C ATOM 521 O ILE A 34 0.944 11.296 -5.542 1.00 0.59 O ATOM 522 CB ILE A 34 0.505 10.683 -2.345 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.112 11.572 -1.260 1.00 1.10 C ATOM 524 CG2 ILE A 34 1.183 9.481 -1.714 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.623 11.542 -1.243 1.00 1.67 C ATOM 0 HA ILE A 34 2.484 11.464 -2.737 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.293 10.328 -2.997 1.00 0.65 H new ATOM 0 HG12 ILE A 34 0.261 11.255 -0.286 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.221 12.599 -1.410 1.00 1.10 H new ATOM 0 HG21 ILE A 34 0.461 8.931 -1.110 1.00 1.06 H new ATOM 0 HG22 ILE A 34 1.572 8.830 -2.497 1.00 1.06 H new ATOM 0 HG23 ILE A 34 2.004 9.817 -1.081 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -1.991 12.194 -0.451 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.005 11.888 -2.204 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -1.965 10.523 -1.062 1.00 1.67 H new ATOM 537 N LYS A 35 2.397 9.799 -4.691 1.00 0.50 N ATOM 538 CA LYS A 35 2.592 9.056 -5.927 1.00 0.49 C ATOM 539 C LYS A 35 2.364 7.570 -5.663 1.00 0.44 C ATOM 540 O LYS A 35 2.600 7.096 -4.556 1.00 0.47 O ATOM 541 CB LYS A 35 4.014 9.281 -6.456 1.00 0.59 C ATOM 542 CG LYS A 35 4.378 10.745 -6.654 1.00 0.92 C ATOM 543 CD LYS A 35 4.477 11.113 -8.127 1.00 1.10 C ATOM 544 CE LYS A 35 3.107 11.384 -8.729 1.00 1.08 C ATOM 545 NZ LYS A 35 3.186 12.191 -9.977 1.00 1.27 N ATOM 0 H LYS A 35 2.939 9.438 -3.906 1.00 0.50 H new ATOM 0 HA LYS A 35 1.881 9.405 -6.675 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.724 8.832 -5.762 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.124 8.759 -7.406 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.628 11.373 -6.173 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.329 10.952 -6.164 1.00 0.92 H new ATOM 0 HD2 LYS A 35 5.106 11.996 -8.241 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.962 10.304 -8.673 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.613 10.436 -8.943 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.489 11.908 -7.999 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.228 12.349 -10.349 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.633 13.107 -9.770 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.753 11.681 -10.685 1.00 1.27 H new ATOM 559 N ARG A 36 1.912 6.835 -6.668 1.00 0.52 N ATOM 560 CA ARG A 36 1.648 5.407 -6.498 1.00 0.53 C ATOM 561 C ARG A 36 2.664 4.569 -7.260 1.00 0.56 C ATOM 562 O ARG A 36 3.226 5.013 -8.260 1.00 0.76 O ATOM 563 CB ARG A 36 0.230 5.040 -6.958 1.00 0.64 C ATOM 564 CG ARG A 36 -0.581 6.208 -7.495 1.00 1.17 C ATOM 565 CD ARG A 36 -1.543 6.746 -6.447 1.00 1.51 C ATOM 566 NE ARG A 36 -2.010 8.091 -6.776 1.00 2.02 N ATOM 567 CZ ARG A 36 -2.249 9.044 -5.873 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.056 8.808 -4.578 1.00 2.99 N ATOM 569 NH2 ARG A 36 -2.669 10.239 -6.267 1.00 3.65 N ATOM 0 H ARG A 36 1.721 7.196 -7.603 1.00 0.52 H new ATOM 0 HA ARG A 36 1.735 5.190 -5.433 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.299 4.276 -7.732 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.307 4.596 -6.119 1.00 0.64 H new ATOM 0 HG2 ARG A 36 0.092 7.003 -7.815 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -1.140 5.890 -8.375 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.398 6.076 -6.361 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.050 6.760 -5.475 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.163 8.316 -7.759 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -1.723 7.894 -4.270 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -2.241 9.541 -3.893 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -2.809 10.429 -7.259 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -2.852 10.968 -5.578 1.00 3.65 H new ATOM 583 N VAL A 37 2.913 3.367 -6.757 1.00 0.49 N ATOM 584 CA VAL A 37 3.875 2.450 -7.361 1.00 0.56 C ATOM 585 C VAL A 37 3.373 1.013 -7.276 1.00 0.53 C ATOM 586 O VAL A 37 2.835 0.593 -6.246 1.00 0.55 O ATOM 587 CB VAL A 37 5.257 2.524 -6.669 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.222 3.380 -7.473 1.00 1.04 C ATOM 589 CG2 VAL A 37 5.120 3.050 -5.248 1.00 1.26 C ATOM 0 H VAL A 37 2.457 3.000 -5.922 1.00 0.49 H new ATOM 0 HA VAL A 37 3.983 2.753 -8.402 1.00 0.56 H new ATOM 0 HB VAL A 37 5.665 1.515 -6.620 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.186 3.416 -6.965 1.00 1.04 H new ATOM 0 HG12 VAL A 37 6.351 2.949 -8.466 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.822 4.390 -7.565 1.00 1.04 H new ATOM 0 HG21 VAL A 37 6.103 3.094 -4.780 1.00 1.26 H new ATOM 0 HG22 VAL A 37 4.684 4.049 -5.270 1.00 1.26 H new ATOM 0 HG23 VAL A 37 4.475 2.385 -4.674 1.00 1.26 H new ATOM 599 N ASN A 38 3.654 0.239 -8.315 1.00 0.55 N ATOM 600 CA ASN A 38 3.359 -1.188 -8.314 1.00 0.56 C ATOM 601 C ASN A 38 4.659 -1.956 -8.129 1.00 0.49 C ATOM 602 O ASN A 38 5.578 -1.829 -8.937 1.00 0.57 O ATOM 603 CB ASN A 38 2.666 -1.607 -9.618 1.00 0.74 C ATOM 604 CG ASN A 38 2.767 -3.100 -9.896 1.00 0.81 C ATOM 605 OD1 ASN A 38 3.529 -3.536 -10.763 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.991 -3.897 -9.177 1.00 1.00 N ATOM 0 H ASN A 38 4.088 0.577 -9.174 1.00 0.55 H new ATOM 0 HA ASN A 38 2.678 -1.415 -7.494 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.615 -1.323 -9.571 1.00 0.74 H new ATOM 0 HB3 ASN A 38 3.108 -1.058 -10.450 1.00 0.74 H new ATOM 0 HD21 ASN A 38 2.012 -4.905 -9.332 1.00 1.00 H new ATOM 0 HD22 ASN A 38 1.373 -3.503 -8.468 1.00 1.00 H new ATOM 613 N VAL A 39 4.805 -2.588 -6.978 1.00 0.41 N ATOM 614 CA VAL A 39 6.065 -3.215 -6.607 1.00 0.44 C ATOM 615 C VAL A 39 5.929 -4.733 -6.549 1.00 0.42 C ATOM 616 O VAL A 39 4.860 -5.258 -6.239 1.00 0.48 O ATOM 617 CB VAL A 39 6.566 -2.672 -5.249 1.00 0.61 C ATOM 618 CG1 VAL A 39 7.943 -3.226 -4.903 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.599 -1.152 -5.271 1.00 0.63 C ATOM 0 H VAL A 39 4.066 -2.682 -6.281 1.00 0.41 H new ATOM 0 HA VAL A 39 6.798 -2.967 -7.375 1.00 0.44 H new ATOM 0 HB VAL A 39 5.870 -3.002 -4.478 1.00 0.61 H new ATOM 0 HG11 VAL A 39 8.266 -2.824 -3.942 1.00 1.24 H new ATOM 0 HG12 VAL A 39 7.893 -4.313 -4.844 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.656 -2.937 -5.675 1.00 1.24 H new ATOM 0 HG21 VAL A 39 6.953 -0.782 -4.309 1.00 0.63 H new ATOM 0 HG22 VAL A 39 7.271 -0.814 -6.060 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.596 -0.769 -5.460 1.00 0.63 H new ATOM 629 N ASN A 40 7.015 -5.424 -6.862 1.00 0.46 N ATOM 630 CA ASN A 40 7.044 -6.879 -6.838 1.00 0.51 C ATOM 631 C ASN A 40 7.836 -7.359 -5.629 1.00 0.44 C ATOM 632 O ASN A 40 8.926 -6.856 -5.357 1.00 0.56 O ATOM 633 CB ASN A 40 7.675 -7.406 -8.127 1.00 0.67 C ATOM 634 CG ASN A 40 7.407 -8.877 -8.364 1.00 1.45 C ATOM 635 OD1 ASN A 40 6.490 -9.459 -7.794 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.208 -9.486 -9.223 1.00 2.13 N ATOM 0 H ASN A 40 7.898 -4.994 -7.139 1.00 0.46 H new ATOM 0 HA ASN A 40 6.025 -7.258 -6.765 1.00 0.51 H new ATOM 0 HB2 ASN A 40 7.293 -6.833 -8.972 1.00 0.67 H new ATOM 0 HB3 ASN A 40 8.752 -7.241 -8.091 1.00 0.67 H new ATOM 0 HD21 ASN A 40 8.074 -10.475 -9.432 1.00 2.13 H new ATOM 0 HD22 ASN A 40 8.959 -8.966 -9.676 1.00 2.13 H new ATOM 643 N PHE A 41 7.251 -8.265 -4.862 1.00 0.40 N ATOM 644 CA PHE A 41 7.864 -8.738 -3.631 1.00 0.45 C ATOM 645 C PHE A 41 8.104 -10.238 -3.672 1.00 0.45 C ATOM 646 O PHE A 41 7.169 -11.024 -3.806 1.00 0.56 O ATOM 647 CB PHE A 41 6.981 -8.382 -2.432 1.00 0.62 C ATOM 648 CG PHE A 41 7.313 -7.047 -1.835 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.620 -6.591 -1.798 1.00 0.98 C ATOM 650 CD2 PHE A 41 6.314 -6.254 -1.297 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.925 -5.368 -1.233 1.00 1.10 C ATOM 652 CE2 PHE A 41 6.612 -5.032 -0.734 1.00 1.16 C ATOM 653 CZ PHE A 41 7.939 -4.566 -0.761 1.00 0.75 C ATOM 0 H PHE A 41 6.348 -8.690 -5.072 1.00 0.40 H new ATOM 0 HA PHE A 41 8.830 -8.244 -3.527 1.00 0.45 H new ATOM 0 HB2 PHE A 41 5.937 -8.385 -2.744 1.00 0.62 H new ATOM 0 HB3 PHE A 41 7.088 -9.152 -1.668 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.410 -7.198 -2.215 1.00 0.98 H new ATOM 0 HD2 PHE A 41 5.290 -6.597 -1.319 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.955 -5.049 -1.167 1.00 1.10 H new ATOM 0 HE2 PHE A 41 5.835 -4.438 -0.277 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.172 -3.573 -0.407 1.00 0.75 H new ATOM 663 N ASP A 42 9.359 -10.624 -3.507 1.00 0.45 N ATOM 664 CA ASP A 42 9.742 -12.030 -3.463 1.00 0.47 C ATOM 665 C ASP A 42 9.217 -12.688 -2.185 1.00 0.40 C ATOM 666 O ASP A 42 8.887 -12.000 -1.216 1.00 0.35 O ATOM 667 CB ASP A 42 11.269 -12.153 -3.569 1.00 0.62 C ATOM 668 CG ASP A 42 11.904 -12.943 -2.435 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.250 -12.335 -1.397 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.037 -14.177 -2.563 1.00 1.35 O ATOM 0 H ASP A 42 10.140 -9.976 -3.400 1.00 0.45 H new ATOM 0 HA ASP A 42 9.295 -12.552 -4.309 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.520 -12.630 -4.516 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.704 -11.154 -3.590 1.00 0.62 H new ATOM 675 N GLU A 43 9.057 -14.009 -2.238 1.00 0.46 N ATOM 676 CA GLU A 43 8.495 -14.787 -1.133 1.00 0.48 C ATOM 677 C GLU A 43 9.154 -14.442 0.204 1.00 0.40 C ATOM 678 O GLU A 43 8.463 -14.163 1.184 1.00 0.42 O ATOM 679 CB GLU A 43 8.647 -16.285 -1.421 1.00 0.65 C ATOM 680 CG GLU A 43 7.996 -17.178 -0.375 1.00 1.08 C ATOM 681 CD GLU A 43 6.509 -17.355 -0.598 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.125 -18.226 -1.400 1.00 1.45 O ATOM 683 OE2 GLU A 43 5.716 -16.632 0.044 1.00 1.28 O ATOM 0 H GLU A 43 9.313 -14.572 -3.049 1.00 0.46 H new ATOM 0 HA GLU A 43 7.438 -14.532 -1.053 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.211 -16.505 -2.396 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.708 -16.528 -1.484 1.00 0.65 H new ATOM 0 HG2 GLU A 43 8.479 -18.155 -0.386 1.00 1.08 H new ATOM 0 HG3 GLU A 43 8.162 -16.752 0.614 1.00 1.08 H new ATOM 690 N GLU A 44 10.484 -14.425 0.228 1.00 0.38 N ATOM 691 CA GLU A 44 11.226 -14.090 1.444 1.00 0.42 C ATOM 692 C GLU A 44 10.883 -12.687 1.918 1.00 0.37 C ATOM 693 O GLU A 44 10.487 -12.489 3.069 1.00 0.43 O ATOM 694 CB GLU A 44 12.728 -14.171 1.197 1.00 0.52 C ATOM 695 CG GLU A 44 13.520 -14.663 2.400 1.00 0.60 C ATOM 696 CD GLU A 44 14.329 -13.569 3.072 1.00 1.56 C ATOM 697 OE1 GLU A 44 15.261 -13.030 2.434 1.00 2.34 O ATOM 698 OE2 GLU A 44 14.051 -13.257 4.248 1.00 2.19 O ATOM 0 H GLU A 44 11.071 -14.639 -0.578 1.00 0.38 H new ATOM 0 HA GLU A 44 10.942 -14.811 2.210 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.913 -14.837 0.354 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.094 -13.185 0.911 1.00 0.52 H new ATOM 0 HG2 GLU A 44 12.833 -15.096 3.127 1.00 0.60 H new ATOM 0 HG3 GLU A 44 14.192 -15.460 2.083 1.00 0.60 H new ATOM 705 N LYS A 45 11.067 -11.721 1.026 1.00 0.32 N ATOM 706 CA LYS A 45 10.827 -10.322 1.334 1.00 0.35 C ATOM 707 C LYS A 45 9.413 -10.105 1.855 1.00 0.30 C ATOM 708 O LYS A 45 9.197 -9.302 2.756 1.00 0.35 O ATOM 709 CB LYS A 45 11.061 -9.459 0.091 1.00 0.39 C ATOM 710 CG LYS A 45 12.442 -8.823 0.054 1.00 0.56 C ATOM 711 CD LYS A 45 12.708 -8.118 -1.265 1.00 0.68 C ATOM 712 CE LYS A 45 13.559 -8.974 -2.189 1.00 1.04 C ATOM 713 NZ LYS A 45 14.602 -8.170 -2.886 1.00 1.09 N ATOM 0 H LYS A 45 11.386 -11.888 0.072 1.00 0.32 H new ATOM 0 HA LYS A 45 11.527 -10.027 2.116 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.927 -10.073 -0.800 1.00 0.39 H new ATOM 0 HB3 LYS A 45 10.306 -8.674 0.054 1.00 0.39 H new ATOM 0 HG2 LYS A 45 12.534 -8.109 0.872 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.199 -9.591 0.214 1.00 0.56 H new ATOM 0 HD2 LYS A 45 11.761 -7.885 -1.752 1.00 0.68 H new ATOM 0 HD3 LYS A 45 13.212 -7.170 -1.078 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.036 -9.767 -1.613 1.00 1.04 H new ATOM 0 HE3 LYS A 45 12.920 -9.458 -2.927 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 15.204 -8.800 -3.454 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 14.145 -7.473 -3.509 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 15.186 -7.675 -2.182 1.00 1.09 H new ATOM 727 N HIS A 46 8.460 -10.834 1.299 1.00 0.28 N ATOM 728 CA HIS A 46 7.068 -10.691 1.706 1.00 0.31 C ATOM 729 C HIS A 46 6.808 -11.368 3.051 1.00 0.32 C ATOM 730 O HIS A 46 6.098 -10.823 3.899 1.00 0.34 O ATOM 731 CB HIS A 46 6.125 -11.254 0.641 1.00 0.38 C ATOM 732 CG HIS A 46 4.700 -10.824 0.826 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.655 -11.713 0.949 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.155 -9.589 0.934 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.530 -11.045 1.127 1.00 0.64 C ATOM 736 NE2 HIS A 46 2.804 -9.754 1.120 1.00 0.58 N ATOM 0 H HIS A 46 8.621 -11.528 0.569 1.00 0.28 H new ATOM 0 HA HIS A 46 6.870 -9.625 1.818 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.469 -10.937 -0.344 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.175 -12.343 0.660 1.00 0.38 H new ATOM 0 HD2 HIS A 46 4.684 -8.649 0.883 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.551 -11.482 1.256 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.124 -9.002 1.234 1.00 0.58 H new ATOM 745 N THR A 47 7.380 -12.549 3.242 1.00 0.33 N ATOM 746 CA THR A 47 7.196 -13.291 4.481 1.00 0.40 C ATOM 747 C THR A 47 7.797 -12.534 5.664 1.00 0.39 C ATOM 748 O THR A 47 7.126 -12.301 6.678 1.00 0.43 O ATOM 749 CB THR A 47 7.821 -14.702 4.395 1.00 0.47 C ATOM 750 OG1 THR A 47 7.346 -15.384 3.222 1.00 0.72 O ATOM 751 CG2 THR A 47 7.481 -15.525 5.630 1.00 0.60 C ATOM 0 H THR A 47 7.975 -13.013 2.555 1.00 0.33 H new ATOM 0 HA THR A 47 6.122 -13.398 4.635 1.00 0.40 H new ATOM 0 HB THR A 47 8.903 -14.587 4.338 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.804 -15.031 2.431 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.933 -16.513 5.544 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.868 -15.025 6.518 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.399 -15.627 5.713 1.00 0.60 H new ATOM 759 N ARG A 48 9.032 -12.071 5.501 1.00 0.35 N ATOM 760 CA ARG A 48 9.684 -11.302 6.547 1.00 0.38 C ATOM 761 C ARG A 48 9.028 -9.938 6.700 1.00 0.34 C ATOM 762 O ARG A 48 9.019 -9.380 7.788 1.00 0.38 O ATOM 763 CB ARG A 48 11.176 -11.132 6.275 1.00 0.42 C ATOM 764 CG ARG A 48 11.928 -10.574 7.470 1.00 0.73 C ATOM 765 CD ARG A 48 13.330 -10.121 7.109 1.00 0.80 C ATOM 766 NE ARG A 48 14.094 -11.147 6.396 1.00 0.90 N ATOM 767 CZ ARG A 48 15.408 -11.324 6.537 1.00 1.43 C ATOM 768 NH1 ARG A 48 16.092 -10.599 7.415 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.035 -12.220 5.794 1.00 1.87 N ATOM 0 H ARG A 48 9.594 -12.214 4.662 1.00 0.35 H new ATOM 0 HA ARG A 48 9.570 -11.860 7.477 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.603 -12.096 6.000 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.313 -10.467 5.422 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.373 -9.733 7.885 1.00 0.73 H new ATOM 0 HG3 ARG A 48 11.984 -11.335 8.249 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.269 -9.225 6.491 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.863 -9.845 8.019 1.00 0.80 H new ATOM 0 HE ARG A 48 13.592 -11.761 5.755 1.00 0.90 H new ATOM 0 HH11 ARG A 48 15.612 -9.903 7.985 1.00 1.83 H new ATOM 0 HH12 ARG A 48 17.097 -10.739 7.519 1.00 1.83 H new ATOM 0 HH21 ARG A 48 15.514 -12.774 5.115 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.040 -12.357 5.900 1.00 1.87 H new ATOM 783 N PHE A 49 8.456 -9.420 5.617 1.00 0.32 N ATOM 784 CA PHE A 49 7.763 -8.137 5.666 1.00 0.32 C ATOM 785 C PHE A 49 6.630 -8.178 6.678 1.00 0.36 C ATOM 786 O PHE A 49 6.507 -7.291 7.520 1.00 0.39 O ATOM 787 CB PHE A 49 7.212 -7.761 4.293 1.00 0.33 C ATOM 788 CG PHE A 49 7.466 -6.332 3.928 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.707 -5.763 4.138 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.464 -5.558 3.365 1.00 0.85 C ATOM 791 CE1 PHE A 49 8.947 -4.452 3.793 1.00 0.94 C ATOM 792 CE2 PHE A 49 6.698 -4.244 3.019 1.00 0.92 C ATOM 793 CZ PHE A 49 7.926 -3.678 3.271 1.00 0.67 C ATOM 0 H PHE A 49 8.458 -9.866 4.700 1.00 0.32 H new ATOM 0 HA PHE A 49 8.486 -7.381 5.972 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.661 -8.407 3.539 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.138 -7.949 4.275 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.498 -6.353 4.578 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.488 -5.989 3.195 1.00 0.85 H new ATOM 0 HE1 PHE A 49 9.931 -4.028 3.930 1.00 0.94 H new ATOM 0 HE2 PHE A 49 5.919 -3.661 2.551 1.00 0.92 H new ATOM 0 HZ PHE A 49 8.093 -2.632 3.062 1.00 0.67 H new ATOM 803 N LYS A 50 5.839 -9.241 6.618 1.00 0.39 N ATOM 804 CA LYS A 50 4.739 -9.433 7.554 1.00 0.45 C ATOM 805 C LYS A 50 5.264 -9.568 8.982 1.00 0.42 C ATOM 806 O LYS A 50 4.786 -8.895 9.900 1.00 0.42 O ATOM 807 CB LYS A 50 3.933 -10.675 7.166 1.00 0.54 C ATOM 808 CG LYS A 50 3.059 -10.480 5.937 1.00 0.93 C ATOM 809 CD LYS A 50 2.825 -11.794 5.208 1.00 1.47 C ATOM 810 CE LYS A 50 1.477 -12.396 5.567 1.00 1.37 C ATOM 811 NZ LYS A 50 1.608 -13.743 6.179 1.00 2.17 N ATOM 0 H LYS A 50 5.939 -9.986 5.928 1.00 0.39 H new ATOM 0 HA LYS A 50 4.088 -8.560 7.510 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.621 -11.501 6.984 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.302 -10.965 8.007 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.102 -10.051 6.234 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.532 -9.767 5.262 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.876 -11.629 4.132 1.00 1.47 H new ATOM 0 HD3 LYS A 50 3.618 -12.498 5.460 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.958 -11.733 6.260 1.00 1.37 H new ATOM 0 HE3 LYS A 50 0.861 -12.465 4.670 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.664 -14.114 6.407 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 2.079 -14.384 5.509 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.173 -13.675 7.050 1.00 2.17 H new ATOM 825 N ALA A 51 6.288 -10.398 9.149 1.00 0.43 N ATOM 826 CA ALA A 51 6.910 -10.596 10.454 1.00 0.46 C ATOM 827 C ALA A 51 7.485 -9.288 11.000 1.00 0.44 C ATOM 828 O ALA A 51 7.207 -8.903 12.140 1.00 0.47 O ATOM 829 CB ALA A 51 7.988 -11.662 10.361 1.00 0.53 C ATOM 0 H ALA A 51 6.706 -10.945 8.396 1.00 0.43 H new ATOM 0 HA ALA A 51 6.142 -10.932 11.151 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.446 -11.802 11.340 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.544 -12.601 10.030 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.749 -11.349 9.646 1.00 0.53 H new ATOM 835 N ALA A 52 8.267 -8.601 10.176 1.00 0.46 N ATOM 836 CA ALA A 52 8.880 -7.335 10.555 1.00 0.53 C ATOM 837 C ALA A 52 7.830 -6.272 10.871 1.00 0.53 C ATOM 838 O ALA A 52 8.014 -5.470 11.783 1.00 0.65 O ATOM 839 CB ALA A 52 9.803 -6.850 9.451 1.00 0.58 C ATOM 0 H ALA A 52 8.493 -8.905 9.229 1.00 0.46 H new ATOM 0 HA ALA A 52 9.461 -7.505 11.461 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.256 -5.903 9.745 1.00 0.58 H new ATOM 0 HB2 ALA A 52 10.586 -7.589 9.280 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.231 -6.709 8.534 1.00 0.58 H new ATOM 845 N CYS A 53 6.735 -6.261 10.113 1.00 0.48 N ATOM 846 CA CYS A 53 5.672 -5.279 10.319 1.00 0.56 C ATOM 847 C CYS A 53 5.070 -5.423 11.717 1.00 0.49 C ATOM 848 O CYS A 53 4.820 -4.427 12.401 1.00 0.53 O ATOM 849 CB CYS A 53 4.587 -5.415 9.236 1.00 0.68 C ATOM 850 SG CYS A 53 3.162 -6.432 9.695 1.00 1.29 S ATOM 0 H CYS A 53 6.561 -6.919 9.353 1.00 0.48 H new ATOM 0 HA CYS A 53 6.105 -4.282 10.238 1.00 0.56 H new ATOM 0 HB2 CYS A 53 4.232 -4.419 8.973 1.00 0.68 H new ATOM 0 HB3 CYS A 53 5.042 -5.838 8.340 1.00 0.68 H new ATOM 0 HG CYS A 53 3.545 -7.662 9.872 1.00 1.29 H new ATOM 856 N ALA A 54 4.937 -6.665 12.173 1.00 0.45 N ATOM 857 CA ALA A 54 4.451 -6.934 13.518 1.00 0.52 C ATOM 858 C ALA A 54 5.514 -6.573 14.551 1.00 0.53 C ATOM 859 O ALA A 54 5.204 -6.044 15.618 1.00 0.63 O ATOM 860 CB ALA A 54 4.045 -8.394 13.656 1.00 0.63 C ATOM 0 H ALA A 54 5.159 -7.499 11.630 1.00 0.45 H new ATOM 0 HA ALA A 54 3.572 -6.315 13.698 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.684 -8.577 14.668 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.253 -8.621 12.942 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.906 -9.032 13.457 1.00 0.63 H new ATOM 866 N ARG A 55 6.772 -6.813 14.196 1.00 0.53 N ATOM 867 CA ARG A 55 7.903 -6.499 15.065 1.00 0.66 C ATOM 868 C ARG A 55 8.040 -4.992 15.263 1.00 0.65 C ATOM 869 O ARG A 55 8.451 -4.528 16.328 1.00 0.75 O ATOM 870 CB ARG A 55 9.193 -7.062 14.466 1.00 0.77 C ATOM 871 CG ARG A 55 9.855 -8.129 15.321 1.00 1.38 C ATOM 872 CD ARG A 55 11.321 -8.297 14.958 1.00 1.87 C ATOM 873 NE ARG A 55 12.205 -7.835 16.026 1.00 2.37 N ATOM 874 CZ ARG A 55 12.891 -8.643 16.830 1.00 2.79 C ATOM 875 NH1 ARG A 55 12.886 -9.956 16.625 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.616 -8.132 17.816 1.00 3.58 N ATOM 0 H ARG A 55 7.037 -7.228 13.303 1.00 0.53 H new ATOM 0 HA ARG A 55 7.723 -6.958 16.037 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.973 -7.482 13.484 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.898 -6.245 14.313 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.767 -7.860 16.374 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.335 -9.078 15.190 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.524 -9.347 14.747 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.534 -7.742 14.045 1.00 1.87 H new ATOM 0 HE ARG A 55 12.302 -6.829 16.164 1.00 2.37 H new ATOM 0 HH11 ARG A 55 12.354 -10.349 15.848 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.414 -10.571 17.244 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.646 -7.122 17.956 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.143 -8.749 18.434 1.00 3.58 H new ATOM 890 N LYS A 56 7.740 -4.235 14.217 1.00 0.59 N ATOM 891 CA LYS A 56 7.857 -2.783 14.261 1.00 0.64 C ATOM 892 C LYS A 56 6.578 -2.154 14.801 1.00 0.54 C ATOM 893 O LYS A 56 6.591 -1.029 15.307 1.00 0.67 O ATOM 894 CB LYS A 56 8.163 -2.233 12.867 1.00 0.71 C ATOM 895 CG LYS A 56 9.545 -2.599 12.352 1.00 1.15 C ATOM 896 CD LYS A 56 10.638 -2.078 13.268 1.00 1.46 C ATOM 897 CE LYS A 56 12.013 -2.236 12.643 1.00 2.01 C ATOM 898 NZ LYS A 56 12.886 -1.064 12.913 1.00 2.32 N ATOM 0 H LYS A 56 7.413 -4.603 13.324 1.00 0.59 H new ATOM 0 HA LYS A 56 8.678 -2.527 14.931 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.415 -2.606 12.168 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.069 -1.147 12.886 1.00 0.71 H new ATOM 0 HG2 LYS A 56 9.627 -3.683 12.266 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.682 -2.189 11.351 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.457 -1.026 13.490 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.605 -2.614 14.217 1.00 1.46 H new ATOM 0 HE2 LYS A 56 12.486 -3.138 13.032 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.909 -2.370 11.566 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.835 -1.242 12.527 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.482 -0.219 12.462 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.953 -0.910 13.939 1.00 2.32 H new ATOM 912 N GLY A 57 5.476 -2.877 14.679 1.00 0.48 N ATOM 913 CA GLY A 57 4.200 -2.370 15.143 1.00 0.47 C ATOM 914 C GLY A 57 3.627 -1.326 14.209 1.00 0.51 C ATOM 915 O GLY A 57 3.174 -0.270 14.647 1.00 0.58 O ATOM 0 H GLY A 57 5.441 -3.809 14.266 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.495 -3.196 15.238 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.322 -1.939 16.137 1.00 0.47 H new ATOM 919 N THR A 58 3.659 -1.615 12.918 1.00 0.59 N ATOM 920 CA THR A 58 3.151 -0.693 11.919 1.00 0.73 C ATOM 921 C THR A 58 2.528 -1.464 10.757 1.00 0.56 C ATOM 922 O THR A 58 2.724 -2.676 10.642 1.00 0.53 O ATOM 923 CB THR A 58 4.271 0.248 11.410 1.00 1.06 C ATOM 924 OG1 THR A 58 3.703 1.439 10.852 1.00 2.01 O ATOM 925 CG2 THR A 58 5.158 -0.436 10.376 1.00 0.61 C ATOM 0 H THR A 58 4.033 -2.484 12.538 1.00 0.59 H new ATOM 0 HA THR A 58 2.381 -0.077 12.383 1.00 0.73 H new ATOM 0 HB THR A 58 4.894 0.508 12.266 1.00 1.06 H new ATOM 0 HG1 THR A 58 4.390 1.925 10.350 1.00 2.01 H new ATOM 0 HG21 THR A 58 5.931 0.257 10.044 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.625 -1.314 10.821 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.553 -0.741 9.522 1.00 0.61 H new ATOM 933 N SER A 59 1.750 -0.772 9.931 1.00 0.55 N ATOM 934 CA SER A 59 1.089 -1.392 8.793 1.00 0.50 C ATOM 935 C SER A 59 2.119 -1.862 7.769 1.00 0.44 C ATOM 936 O SER A 59 3.181 -1.254 7.632 1.00 0.43 O ATOM 937 CB SER A 59 0.121 -0.391 8.157 1.00 0.61 C ATOM 938 OG SER A 59 0.417 0.936 8.575 1.00 0.72 O ATOM 0 H SER A 59 1.562 0.226 10.032 1.00 0.55 H new ATOM 0 HA SER A 59 0.529 -2.262 9.136 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.184 -0.457 7.071 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.903 -0.644 8.432 1.00 0.61 H new ATOM 0 HG SER A 59 -0.212 1.559 8.155 1.00 0.72 H new ATOM 944 N ILE A 60 1.806 -2.944 7.061 1.00 0.46 N ATOM 945 CA ILE A 60 2.718 -3.495 6.066 1.00 0.50 C ATOM 946 C ILE A 60 3.048 -2.456 4.993 1.00 0.47 C ATOM 947 O ILE A 60 4.165 -2.407 4.480 1.00 0.50 O ATOM 948 CB ILE A 60 2.144 -4.779 5.411 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.251 -5.537 4.675 1.00 0.99 C ATOM 950 CG2 ILE A 60 0.987 -4.457 4.471 1.00 1.01 C ATOM 951 CD1 ILE A 60 2.822 -6.891 4.147 1.00 0.96 C ATOM 0 H ILE A 60 0.929 -3.455 7.158 1.00 0.46 H new ATOM 0 HA ILE A 60 3.637 -3.766 6.586 1.00 0.50 H new ATOM 0 HB ILE A 60 1.751 -5.417 6.203 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.603 -4.928 3.842 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.096 -5.672 5.350 1.00 0.99 H new ATOM 0 HG21 ILE A 60 0.609 -5.379 4.030 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.189 -3.969 5.030 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.335 -3.792 3.680 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.661 -7.366 3.638 1.00 0.96 H new ATOM 0 HD12 ILE A 60 2.498 -7.519 4.977 1.00 0.96 H new ATOM 0 HD13 ILE A 60 1.998 -6.763 3.445 1.00 0.96 H new ATOM 963 N THR A 61 2.091 -1.578 4.719 1.00 0.45 N ATOM 964 CA THR A 61 2.268 -0.509 3.758 1.00 0.45 C ATOM 965 C THR A 61 3.231 0.557 4.287 1.00 0.42 C ATOM 966 O THR A 61 3.998 1.164 3.529 1.00 0.41 O ATOM 967 CB THR A 61 0.907 0.135 3.454 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.123 -0.578 4.157 1.00 0.68 O ATOM 969 CG2 THR A 61 0.614 0.119 1.964 1.00 0.77 C ATOM 0 H THR A 61 1.171 -1.591 5.160 1.00 0.45 H new ATOM 0 HA THR A 61 2.693 -0.932 2.848 1.00 0.45 H new ATOM 0 HB THR A 61 0.934 1.174 3.784 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.993 -0.168 3.967 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.356 0.581 1.779 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.388 0.675 1.435 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.599 -0.911 1.607 1.00 0.77 H new ATOM 977 N ASP A 62 3.213 0.749 5.599 1.00 0.42 N ATOM 978 CA ASP A 62 4.083 1.724 6.242 1.00 0.42 C ATOM 979 C ASP A 62 5.518 1.233 6.259 1.00 0.36 C ATOM 980 O ASP A 62 6.446 2.022 6.097 1.00 0.35 O ATOM 981 CB ASP A 62 3.612 2.013 7.664 1.00 0.47 C ATOM 982 CG ASP A 62 4.068 3.372 8.151 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.712 4.384 7.513 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.796 3.435 9.167 1.00 1.06 O ATOM 0 H ASP A 62 2.604 0.241 6.240 1.00 0.42 H new ATOM 0 HA ASP A 62 4.037 2.648 5.665 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.524 1.961 7.702 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.992 1.242 8.335 1.00 0.47 H new ATOM 989 N VAL A 63 5.695 -0.082 6.368 1.00 0.34 N ATOM 990 CA VAL A 63 7.030 -0.667 6.313 1.00 0.32 C ATOM 991 C VAL A 63 7.691 -0.329 4.988 1.00 0.31 C ATOM 992 O VAL A 63 8.841 0.105 4.958 1.00 0.35 O ATOM 993 CB VAL A 63 7.022 -2.201 6.477 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.395 -2.700 6.906 1.00 0.68 C ATOM 995 CG2 VAL A 63 5.967 -2.638 7.473 1.00 0.66 C ATOM 0 H VAL A 63 4.939 -0.755 6.494 1.00 0.34 H new ATOM 0 HA VAL A 63 7.586 -0.242 7.148 1.00 0.32 H new ATOM 0 HB VAL A 63 6.777 -2.640 5.510 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.370 -3.784 7.017 1.00 0.68 H new ATOM 0 HG12 VAL A 63 9.133 -2.429 6.151 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.667 -2.244 7.858 1.00 0.68 H new ATOM 0 HG21 VAL A 63 5.984 -3.724 7.568 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.173 -2.185 8.443 1.00 0.66 H new ATOM 0 HG23 VAL A 63 4.984 -2.320 7.125 1.00 0.66 H new ATOM 1005 N VAL A 64 6.918 -0.432 3.906 1.00 0.29 N ATOM 1006 CA VAL A 64 7.410 -0.066 2.586 1.00 0.29 C ATOM 1007 C VAL A 64 7.858 1.389 2.574 1.00 0.31 C ATOM 1008 O VAL A 64 8.966 1.702 2.150 1.00 0.34 O ATOM 1009 CB VAL A 64 6.357 -0.261 1.477 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.036 -0.445 0.127 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.445 -1.439 1.777 1.00 0.38 C ATOM 0 H VAL A 64 5.954 -0.765 3.922 1.00 0.29 H new ATOM 0 HA VAL A 64 8.248 -0.732 2.379 1.00 0.29 H new ATOM 0 HB VAL A 64 5.740 0.637 1.442 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.279 -0.581 -0.645 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.634 0.437 -0.103 1.00 0.33 H new ATOM 0 HG13 VAL A 64 7.682 -1.322 0.161 1.00 0.33 H new ATOM 0 HG21 VAL A 64 4.715 -1.547 0.975 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.040 -2.349 1.852 1.00 0.38 H new ATOM 0 HG23 VAL A 64 4.925 -1.266 2.719 1.00 0.38 H new ATOM 1021 N ASN A 65 7.007 2.263 3.098 1.00 0.32 N ATOM 1022 CA ASN A 65 7.323 3.686 3.176 1.00 0.35 C ATOM 1023 C ASN A 65 8.627 3.929 3.939 1.00 0.38 C ATOM 1024 O ASN A 65 9.427 4.787 3.560 1.00 0.40 O ATOM 1025 CB ASN A 65 6.176 4.444 3.847 1.00 0.40 C ATOM 1026 CG ASN A 65 5.742 5.660 3.050 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.505 6.609 2.874 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.515 5.633 2.547 1.00 0.48 N ATOM 0 H ASN A 65 6.093 2.013 3.475 1.00 0.32 H new ATOM 0 HA ASN A 65 7.454 4.055 2.159 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.326 3.774 3.974 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.486 4.758 4.844 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.174 6.418 1.992 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.912 4.827 2.715 1.00 0.48 H new ATOM 1035 N GLN A 66 8.837 3.166 5.009 1.00 0.39 N ATOM 1036 CA GLN A 66 10.027 3.306 5.845 1.00 0.42 C ATOM 1037 C GLN A 66 11.309 3.029 5.063 1.00 0.40 C ATOM 1038 O GLN A 66 12.286 3.777 5.172 1.00 0.44 O ATOM 1039 CB GLN A 66 9.947 2.367 7.050 1.00 0.44 C ATOM 1040 CG GLN A 66 9.682 3.084 8.362 1.00 0.87 C ATOM 1041 CD GLN A 66 8.261 2.888 8.851 1.00 1.45 C ATOM 1042 OE1 GLN A 66 7.917 1.834 9.386 1.00 2.20 O ATOM 1043 NE2 GLN A 66 7.430 3.906 8.677 1.00 1.61 N ATOM 0 H GLN A 66 8.193 2.439 5.319 1.00 0.39 H new ATOM 0 HA GLN A 66 10.059 4.340 6.189 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.157 1.636 6.879 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.882 1.813 7.131 1.00 0.44 H new ATOM 0 HG2 GLN A 66 10.377 2.720 9.119 1.00 0.87 H new ATOM 0 HG3 GLN A 66 9.876 4.149 8.237 1.00 0.87 H new ATOM 0 HE21 GLN A 66 7.758 4.761 8.228 1.00 1.61 H new ATOM 0 HE22 GLN A 66 6.462 3.834 8.992 1.00 1.61 H new ATOM 1052 N LEU A 67 11.322 1.941 4.297 1.00 0.36 N ATOM 1053 CA LEU A 67 12.519 1.572 3.542 1.00 0.35 C ATOM 1054 C LEU A 67 12.801 2.590 2.446 1.00 0.31 C ATOM 1055 O LEU A 67 13.951 2.974 2.233 1.00 0.32 O ATOM 1056 CB LEU A 67 12.414 0.168 2.932 1.00 0.38 C ATOM 1057 CG LEU A 67 11.158 -0.625 3.286 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.466 -1.102 2.026 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.500 -1.805 4.175 1.00 1.01 C ATOM 0 H LEU A 67 10.531 1.307 4.182 1.00 0.36 H new ATOM 0 HA LEU A 67 13.347 1.565 4.251 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.467 0.260 1.847 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.284 -0.409 3.246 1.00 0.38 H new ATOM 0 HG LEU A 67 10.481 0.032 3.833 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.572 -1.666 2.293 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.185 -0.242 1.418 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.143 -1.742 1.459 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.590 -2.356 4.415 1.00 1.01 H new ATOM 0 HD22 LEU A 67 12.196 -2.463 3.655 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.960 -1.446 5.096 1.00 1.01 H new ATOM 1071 N VAL A 68 11.743 3.079 1.802 1.00 0.29 N ATOM 1072 CA VAL A 68 11.889 4.112 0.774 1.00 0.28 C ATOM 1073 C VAL A 68 12.457 5.381 1.383 1.00 0.30 C ATOM 1074 O VAL A 68 13.342 6.021 0.813 1.00 0.32 O ATOM 1075 CB VAL A 68 10.550 4.452 0.085 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.787 5.290 -1.162 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.794 3.190 -0.268 1.00 0.69 C ATOM 0 H VAL A 68 10.782 2.781 1.970 1.00 0.29 H new ATOM 0 HA VAL A 68 12.568 3.710 0.022 1.00 0.28 H new ATOM 0 HB VAL A 68 9.947 5.032 0.784 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.831 5.519 -1.633 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.288 6.218 -0.887 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.412 4.734 -1.861 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.854 3.453 -0.752 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.395 2.584 -0.946 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.588 2.623 0.640 1.00 0.69 H new ATOM 1087 N ASP A 69 11.974 5.708 2.574 1.00 0.33 N ATOM 1088 CA ASP A 69 12.451 6.871 3.306 1.00 0.39 C ATOM 1089 C ASP A 69 13.944 6.763 3.562 1.00 0.36 C ATOM 1090 O ASP A 69 14.692 7.711 3.335 1.00 0.37 O ATOM 1091 CB ASP A 69 11.714 7.005 4.639 1.00 0.50 C ATOM 1092 CG ASP A 69 11.804 8.403 5.212 1.00 0.74 C ATOM 1093 OD1 ASP A 69 12.043 9.354 4.436 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.635 8.564 6.440 1.00 1.33 O ATOM 0 H ASP A 69 11.247 5.179 3.056 1.00 0.33 H new ATOM 0 HA ASP A 69 12.255 7.755 2.699 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.666 6.740 4.500 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.130 6.295 5.354 1.00 0.50 H new ATOM 1099 N ASN A 70 14.374 5.586 3.996 1.00 0.35 N ATOM 1100 CA ASN A 70 15.779 5.346 4.309 1.00 0.37 C ATOM 1101 C ASN A 70 16.640 5.345 3.049 1.00 0.33 C ATOM 1102 O ASN A 70 17.749 5.883 3.048 1.00 0.40 O ATOM 1103 CB ASN A 70 15.935 4.021 5.063 1.00 0.44 C ATOM 1104 CG ASN A 70 15.714 4.181 6.555 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.665 4.236 7.335 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.455 4.262 6.960 1.00 1.69 N ATOM 0 H ASN A 70 13.768 4.778 4.140 1.00 0.35 H new ATOM 0 HA ASN A 70 16.124 6.160 4.946 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.225 3.295 4.668 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.933 3.620 4.886 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.245 4.374 7.952 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.696 4.212 6.280 1.00 1.69 H new ATOM 1113 N TRP A 71 16.123 4.761 1.973 1.00 0.30 N ATOM 1114 CA TRP A 71 16.849 4.701 0.707 1.00 0.36 C ATOM 1115 C TRP A 71 17.060 6.102 0.137 1.00 0.35 C ATOM 1116 O TRP A 71 18.119 6.410 -0.413 1.00 0.40 O ATOM 1117 CB TRP A 71 16.087 3.832 -0.302 1.00 0.42 C ATOM 1118 CG TRP A 71 16.899 3.444 -1.507 1.00 0.52 C ATOM 1119 CD1 TRP A 71 17.786 2.408 -1.603 1.00 0.63 C ATOM 1120 CD2 TRP A 71 16.877 4.075 -2.794 1.00 0.58 C ATOM 1121 NE1 TRP A 71 18.350 2.389 -2.858 1.00 0.72 N ATOM 1122 CE2 TRP A 71 17.804 3.395 -3.609 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.172 5.151 -3.335 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 18.049 3.763 -4.932 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 16.411 5.511 -4.651 1.00 0.73 C ATOM 1126 CH2 TRP A 71 17.342 4.817 -5.439 1.00 0.77 C ATOM 0 H TRP A 71 15.203 4.322 1.951 1.00 0.30 H new ATOM 0 HA TRP A 71 17.825 4.254 0.894 1.00 0.36 H new ATOM 0 HB2 TRP A 71 15.743 2.927 0.199 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.199 4.370 -0.633 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.011 1.708 -0.811 1.00 0.63 H new ATOM 0 HE1 TRP A 71 19.061 1.731 -3.177 1.00 0.72 H new ATOM 0 HE3 TRP A 71 15.453 5.693 -2.738 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 18.772 3.234 -5.535 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 15.870 6.342 -5.079 1.00 0.73 H new ATOM 0 HH2 TRP A 71 17.502 5.121 -6.463 1.00 0.77 H new ATOM 1137 N LEU A 72 16.033 6.936 0.240 1.00 0.36 N ATOM 1138 CA LEU A 72 16.088 8.284 -0.310 1.00 0.42 C ATOM 1139 C LEU A 72 16.856 9.230 0.608 1.00 0.49 C ATOM 1140 O LEU A 72 17.546 10.131 0.135 1.00 0.61 O ATOM 1141 CB LEU A 72 14.676 8.823 -0.557 1.00 0.45 C ATOM 1142 CG LEU A 72 14.193 8.775 -2.013 1.00 0.42 C ATOM 1143 CD1 LEU A 72 15.358 8.588 -2.973 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.173 7.665 -2.194 1.00 1.38 C ATOM 0 H LEU A 72 15.153 6.703 0.699 1.00 0.36 H new ATOM 0 HA LEU A 72 16.618 8.230 -1.261 1.00 0.42 H new ATOM 0 HB2 LEU A 72 13.977 8.256 0.058 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.636 9.857 -0.214 1.00 0.45 H new ATOM 0 HG LEU A 72 13.719 9.729 -2.243 1.00 0.42 H new ATOM 0 HD11 LEU A 72 14.985 8.558 -3.997 1.00 1.23 H new ATOM 0 HD12 LEU A 72 16.055 9.419 -2.865 1.00 1.23 H new ATOM 0 HD13 LEU A 72 15.870 7.653 -2.746 1.00 1.23 H new ATOM 0 HD21 LEU A 72 12.839 7.643 -3.231 1.00 1.38 H new ATOM 0 HD22 LEU A 72 13.628 6.708 -1.939 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.319 7.846 -1.542 1.00 1.38 H new ATOM 1156 N LYS A 73 16.766 9.006 1.913 1.00 0.51 N ATOM 1157 CA LYS A 73 17.480 9.843 2.876 1.00 0.64 C ATOM 1158 C LYS A 73 18.980 9.598 2.784 1.00 0.63 C ATOM 1159 O LYS A 73 19.785 10.510 2.981 1.00 0.74 O ATOM 1160 CB LYS A 73 16.981 9.577 4.297 1.00 0.82 C ATOM 1161 CG LYS A 73 15.744 10.385 4.662 1.00 0.97 C ATOM 1162 CD LYS A 73 15.155 9.941 5.991 1.00 1.32 C ATOM 1163 CE LYS A 73 14.390 11.071 6.662 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.138 10.598 7.307 1.00 1.42 N ATOM 0 H LYS A 73 16.211 8.258 2.329 1.00 0.51 H new ATOM 0 HA LYS A 73 17.284 10.888 2.634 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.757 8.515 4.403 1.00 0.82 H new ATOM 0 HB3 LYS A 73 17.778 9.807 5.004 1.00 0.82 H new ATOM 0 HG2 LYS A 73 16.002 11.443 4.714 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.995 10.278 3.878 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.489 9.093 5.831 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.954 9.599 6.649 1.00 1.32 H new ATOM 0 HE2 LYS A 73 15.026 11.543 7.411 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.149 11.834 5.922 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.342 11.190 6.995 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.961 9.609 7.038 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.234 10.664 8.341 1.00 1.42 H new ATOM 1178 N GLU A 74 19.345 8.389 2.384 1.00 0.60 N ATOM 1179 CA GLU A 74 20.742 8.043 2.166 1.00 0.77 C ATOM 1180 C GLU A 74 21.189 8.501 0.780 1.00 0.85 C ATOM 1181 O GLU A 74 22.352 8.366 0.408 1.00 1.00 O ATOM 1182 CB GLU A 74 20.945 6.535 2.313 1.00 0.93 C ATOM 1183 CG GLU A 74 21.162 6.095 3.749 1.00 1.00 C ATOM 1184 CD GLU A 74 22.282 6.862 4.423 1.00 1.39 C ATOM 1185 OE1 GLU A 74 23.461 6.593 4.111 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.988 7.731 5.270 1.00 1.30 O ATOM 0 H GLU A 74 18.690 7.628 2.203 1.00 0.60 H new ATOM 0 HA GLU A 74 21.347 8.552 2.916 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.075 6.017 1.909 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.803 6.231 1.714 1.00 0.93 H new ATOM 0 HG2 GLU A 74 20.239 6.234 4.312 1.00 1.00 H new ATOM 0 HG3 GLU A 74 21.391 5.029 3.769 1.00 1.00 H new ATOM 1719 N LYS B 33 7.296 -17.287 -7.152 1.00 1.35 N ATOM 1720 CA LYS B 33 6.918 -16.978 -5.779 1.00 0.80 C ATOM 1721 C LYS B 33 7.024 -15.480 -5.517 1.00 0.59 C ATOM 1722 O LYS B 33 7.513 -15.051 -4.474 1.00 0.58 O ATOM 1723 CB LYS B 33 7.809 -17.749 -4.796 1.00 1.23 C ATOM 1724 CG LYS B 33 7.603 -19.255 -4.833 1.00 2.23 C ATOM 1725 CD LYS B 33 8.009 -19.904 -3.521 1.00 3.13 C ATOM 1726 CE LYS B 33 6.993 -20.940 -3.076 1.00 4.15 C ATOM 1727 NZ LYS B 33 6.644 -20.794 -1.637 1.00 4.99 N ATOM 0 HA LYS B 33 5.882 -17.283 -5.631 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.853 -17.529 -5.017 1.00 1.23 H new ATOM 0 HB3 LYS B 33 7.615 -17.390 -3.785 1.00 1.23 H new ATOM 0 HG2 LYS B 33 6.556 -19.475 -5.040 1.00 2.23 H new ATOM 0 HG3 LYS B 33 8.186 -19.683 -5.648 1.00 2.23 H new ATOM 0 HD2 LYS B 33 8.985 -20.375 -3.634 1.00 3.13 H new ATOM 0 HD3 LYS B 33 8.111 -19.139 -2.751 1.00 3.13 H new ATOM 0 HE2 LYS B 33 6.090 -20.846 -3.680 1.00 4.15 H new ATOM 0 HE3 LYS B 33 7.392 -21.939 -3.253 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 5.698 -21.190 -1.467 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 7.342 -21.303 -1.057 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 6.649 -19.786 -1.379 1.00 4.99 H new ATOM 1741 N ILE B 34 6.563 -14.686 -6.470 1.00 0.67 N ATOM 1742 CA ILE B 34 6.616 -13.236 -6.346 1.00 0.59 C ATOM 1743 C ILE B 34 5.212 -12.658 -6.206 1.00 0.57 C ATOM 1744 O ILE B 34 4.283 -13.077 -6.899 1.00 0.68 O ATOM 1745 CB ILE B 34 7.322 -12.590 -7.552 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.278 -13.521 -8.770 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.758 -12.236 -7.190 1.00 1.45 C ATOM 1748 CD1 ILE B 34 7.699 -12.854 -10.061 1.00 1.92 C ATOM 0 H ILE B 34 6.147 -15.020 -7.339 1.00 0.67 H new ATOM 0 HA ILE B 34 7.192 -13.008 -5.449 1.00 0.59 H new ATOM 0 HB ILE B 34 6.795 -11.672 -7.814 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.927 -14.377 -8.585 1.00 1.38 H new ATOM 0 HG13 ILE B 34 6.265 -13.907 -8.884 1.00 1.38 H new ATOM 0 HG21 ILE B 34 9.248 -11.780 -8.050 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.761 -11.534 -6.356 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.295 -13.141 -6.904 1.00 1.45 H new ATOM 0 HD11 ILE B 34 7.643 -13.574 -10.878 1.00 1.92 H new ATOM 0 HD12 ILE B 34 7.035 -12.015 -10.270 1.00 1.92 H new ATOM 0 HD13 ILE B 34 8.723 -12.492 -9.967 1.00 1.92 H new ATOM 1760 N LYS B 35 5.059 -11.736 -5.269 1.00 0.54 N ATOM 1761 CA LYS B 35 3.770 -11.120 -4.978 1.00 0.58 C ATOM 1762 C LYS B 35 3.780 -9.654 -5.398 1.00 0.59 C ATOM 1763 O LYS B 35 4.831 -9.032 -5.444 1.00 0.67 O ATOM 1764 CB LYS B 35 3.451 -11.230 -3.481 1.00 0.70 C ATOM 1765 CG LYS B 35 4.289 -12.266 -2.743 1.00 0.94 C ATOM 1766 CD LYS B 35 3.482 -13.512 -2.422 1.00 1.25 C ATOM 1767 CE LYS B 35 4.194 -14.770 -2.889 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.349 -15.984 -2.728 1.00 1.30 N ATOM 0 H LYS B 35 5.823 -11.392 -4.688 1.00 0.54 H new ATOM 0 HA LYS B 35 3.000 -11.647 -5.542 1.00 0.58 H new ATOM 0 HB2 LYS B 35 3.603 -10.256 -3.015 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.397 -11.479 -3.362 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.152 -12.537 -3.351 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.674 -11.833 -1.820 1.00 0.94 H new ATOM 0 HD2 LYS B 35 3.309 -13.568 -1.347 1.00 1.25 H new ATOM 0 HD3 LYS B 35 2.504 -13.447 -2.900 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.474 -14.660 -3.937 1.00 1.12 H new ATOM 0 HE3 LYS B 35 5.118 -14.894 -2.324 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.874 -16.819 -3.059 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.103 -16.105 -1.725 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 2.479 -15.878 -3.288 1.00 1.30 H new ATOM 1782 N ARG B 36 2.617 -9.100 -5.690 1.00 0.63 N ATOM 1783 CA ARG B 36 2.526 -7.707 -6.103 1.00 0.65 C ATOM 1784 C ARG B 36 1.987 -6.846 -4.967 1.00 0.63 C ATOM 1785 O ARG B 36 1.083 -7.260 -4.235 1.00 0.77 O ATOM 1786 CB ARG B 36 1.625 -7.565 -7.335 1.00 0.72 C ATOM 1787 CG ARG B 36 1.917 -8.576 -8.433 1.00 1.52 C ATOM 1788 CD ARG B 36 3.291 -8.362 -9.047 1.00 1.83 C ATOM 1789 NE ARG B 36 3.777 -9.558 -9.730 1.00 2.61 N ATOM 1790 CZ ARG B 36 4.723 -9.546 -10.669 1.00 3.31 C ATOM 1791 NH1 ARG B 36 5.277 -8.400 -11.048 1.00 3.37 N ATOM 1792 NH2 ARG B 36 5.117 -10.685 -11.223 1.00 4.33 N ATOM 0 H ARG B 36 1.723 -9.590 -5.650 1.00 0.63 H new ATOM 0 HA ARG B 36 3.529 -7.366 -6.360 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.585 -7.669 -7.026 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.738 -6.560 -7.741 1.00 0.72 H new ATOM 0 HG2 ARG B 36 1.855 -9.585 -8.024 1.00 1.52 H new ATOM 0 HG3 ARG B 36 1.156 -8.499 -9.210 1.00 1.52 H new ATOM 0 HD2 ARG B 36 3.247 -7.533 -9.754 1.00 1.83 H new ATOM 0 HD3 ARG B 36 3.997 -8.078 -8.266 1.00 1.83 H new ATOM 0 HE ARG B 36 3.368 -10.456 -9.473 1.00 2.61 H new ATOM 0 HH11 ARG B 36 4.979 -7.523 -10.620 1.00 3.37 H new ATOM 0 HH12 ARG B 36 6.001 -8.397 -11.767 1.00 3.37 H new ATOM 0 HH21 ARG B 36 4.696 -11.567 -10.930 1.00 4.33 H new ATOM 0 HH22 ARG B 36 5.841 -10.679 -11.942 1.00 4.33 H new ATOM 1806 N VAL B 37 2.557 -5.661 -4.809 1.00 0.53 N ATOM 1807 CA VAL B 37 2.141 -4.747 -3.760 1.00 0.56 C ATOM 1808 C VAL B 37 1.962 -3.335 -4.318 1.00 0.49 C ATOM 1809 O VAL B 37 2.671 -2.918 -5.238 1.00 0.49 O ATOM 1810 CB VAL B 37 3.146 -4.752 -2.576 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.933 -3.450 -2.484 1.00 0.92 C ATOM 1812 CG2 VAL B 37 2.419 -5.028 -1.270 1.00 1.36 C ATOM 0 H VAL B 37 3.312 -5.310 -5.398 1.00 0.53 H new ATOM 0 HA VAL B 37 1.180 -5.090 -3.377 1.00 0.56 H new ATOM 0 HB VAL B 37 3.865 -5.550 -2.762 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.623 -3.500 -1.641 1.00 0.92 H new ATOM 0 HG12 VAL B 37 4.496 -3.299 -3.405 1.00 0.92 H new ATOM 0 HG13 VAL B 37 3.244 -2.618 -2.340 1.00 0.92 H new ATOM 0 HG21 VAL B 37 3.135 -5.029 -0.448 1.00 1.36 H new ATOM 0 HG22 VAL B 37 1.671 -4.254 -1.099 1.00 1.36 H new ATOM 0 HG23 VAL B 37 1.929 -6.000 -1.325 1.00 1.36 H new ATOM 1822 N ASN B 38 0.980 -2.624 -3.787 1.00 0.54 N ATOM 1823 CA ASN B 38 0.685 -1.268 -4.228 1.00 0.54 C ATOM 1824 C ASN B 38 0.923 -0.286 -3.092 1.00 0.52 C ATOM 1825 O ASN B 38 0.274 -0.365 -2.045 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.763 -1.172 -4.709 1.00 0.66 C ATOM 1827 CG ASN B 38 -1.122 0.214 -5.213 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -1.748 1.005 -4.506 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -0.735 0.512 -6.443 1.00 1.37 N ATOM 0 H ASN B 38 0.369 -2.966 -3.045 1.00 0.54 H new ATOM 0 HA ASN B 38 1.347 -1.017 -5.057 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.926 -1.897 -5.506 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.432 -1.441 -3.892 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -0.954 1.426 -6.839 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -0.218 -0.173 -6.995 1.00 1.37 H new ATOM 1836 N VAL B 39 1.887 0.600 -3.268 1.00 0.48 N ATOM 1837 CA VAL B 39 2.227 1.557 -2.227 1.00 0.49 C ATOM 1838 C VAL B 39 2.164 2.983 -2.747 1.00 0.46 C ATOM 1839 O VAL B 39 2.102 3.213 -3.957 1.00 0.48 O ATOM 1840 CB VAL B 39 3.626 1.310 -1.633 1.00 0.54 C ATOM 1841 CG1 VAL B 39 3.506 0.844 -0.192 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.418 0.312 -2.463 1.00 0.54 C ATOM 0 H VAL B 39 2.447 0.678 -4.117 1.00 0.48 H new ATOM 0 HA VAL B 39 1.486 1.416 -1.440 1.00 0.49 H new ATOM 0 HB VAL B 39 4.174 2.252 -1.653 1.00 0.54 H new ATOM 0 HG11 VAL B 39 4.501 0.672 0.219 1.00 0.77 H new ATOM 0 HG12 VAL B 39 2.997 1.608 0.396 1.00 0.77 H new ATOM 0 HG13 VAL B 39 2.933 -0.083 -0.156 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.400 0.163 -2.013 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.885 -0.638 -2.495 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.538 0.695 -3.476 1.00 0.54 H new ATOM 1852 N ASN B 40 2.155 3.931 -1.822 1.00 0.52 N ATOM 1853 CA ASN B 40 2.090 5.339 -2.165 1.00 0.57 C ATOM 1854 C ASN B 40 3.234 6.092 -1.505 1.00 0.56 C ATOM 1855 O ASN B 40 3.296 6.205 -0.279 1.00 0.72 O ATOM 1856 CB ASN B 40 0.750 5.932 -1.724 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.345 5.726 -2.753 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.751 6.661 -3.445 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.840 4.499 -2.853 1.00 1.99 N ATOM 0 H ASN B 40 2.192 3.745 -0.820 1.00 0.52 H new ATOM 0 HA ASN B 40 2.178 5.438 -3.247 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.448 5.476 -0.781 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.873 6.999 -1.538 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.585 4.302 -3.522 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.476 3.752 -2.261 1.00 1.99 H new ATOM 1866 N PHE B 41 4.132 6.617 -2.321 1.00 0.48 N ATOM 1867 CA PHE B 41 5.259 7.393 -1.825 1.00 0.55 C ATOM 1868 C PHE B 41 5.013 8.870 -2.084 1.00 0.60 C ATOM 1869 O PHE B 41 4.152 9.225 -2.878 1.00 0.76 O ATOM 1870 CB PHE B 41 6.572 6.972 -2.503 1.00 0.66 C ATOM 1871 CG PHE B 41 6.849 5.492 -2.491 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.306 4.692 -1.498 1.00 1.04 C ATOM 1873 CD2 PHE B 41 7.643 4.898 -3.460 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.549 3.331 -1.472 1.00 1.08 C ATOM 1875 CE2 PHE B 41 7.892 3.539 -3.438 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.369 2.759 -2.496 1.00 0.93 C ATOM 0 H PHE B 41 4.103 6.520 -3.336 1.00 0.48 H new ATOM 0 HA PHE B 41 5.351 7.208 -0.755 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.555 7.315 -3.538 1.00 0.66 H new ATOM 0 HB3 PHE B 41 7.398 7.485 -2.011 1.00 0.66 H new ATOM 0 HD1 PHE B 41 5.685 5.137 -0.735 1.00 1.04 H new ATOM 0 HD2 PHE B 41 8.073 5.506 -4.243 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.128 2.712 -0.694 1.00 1.08 H new ATOM 0 HE2 PHE B 41 8.522 3.103 -4.199 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.563 1.697 -2.504 1.00 0.93 H new ATOM 1886 N ASP B 42 5.754 9.722 -1.402 1.00 0.56 N ATOM 1887 CA ASP B 42 5.608 11.165 -1.559 1.00 0.59 C ATOM 1888 C ASP B 42 5.978 11.610 -2.968 1.00 0.54 C ATOM 1889 O ASP B 42 6.760 10.945 -3.655 1.00 0.51 O ATOM 1890 CB ASP B 42 6.497 11.887 -0.551 1.00 0.68 C ATOM 1891 CG ASP B 42 5.917 13.212 -0.104 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.147 14.233 -0.789 1.00 1.66 O ATOM 1893 OD2 ASP B 42 5.219 13.235 0.929 1.00 2.03 O ATOM 0 H ASP B 42 6.468 9.443 -0.729 1.00 0.56 H new ATOM 0 HA ASP B 42 4.563 11.418 -1.382 1.00 0.59 H new ATOM 0 HB2 ASP B 42 6.645 11.248 0.319 1.00 0.68 H new ATOM 0 HB3 ASP B 42 7.479 12.056 -0.994 1.00 0.68 H new ATOM 1898 N GLU B 43 5.468 12.768 -3.366 1.00 0.63 N ATOM 1899 CA GLU B 43 5.795 13.348 -4.658 1.00 0.67 C ATOM 1900 C GLU B 43 7.279 13.672 -4.724 1.00 0.56 C ATOM 1901 O GLU B 43 7.938 13.407 -5.728 1.00 0.60 O ATOM 1902 CB GLU B 43 4.974 14.615 -4.904 1.00 0.87 C ATOM 1903 CG GLU B 43 4.259 14.625 -6.245 1.00 1.09 C ATOM 1904 CD GLU B 43 4.745 15.736 -7.151 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.202 16.773 -6.632 1.00 1.63 O ATOM 1906 OE2 GLU B 43 4.678 15.574 -8.386 1.00 1.73 O ATOM 0 H GLU B 43 4.822 13.326 -2.807 1.00 0.63 H new ATOM 0 HA GLU B 43 5.552 12.621 -5.433 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.237 14.721 -4.108 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.632 15.482 -4.846 1.00 0.87 H new ATOM 0 HG2 GLU B 43 4.408 13.665 -6.740 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.187 14.736 -6.081 1.00 1.09 H new ATOM 1913 N GLU B 44 7.808 14.175 -3.615 1.00 0.52 N ATOM 1914 CA GLU B 44 9.224 14.496 -3.509 1.00 0.54 C ATOM 1915 C GLU B 44 10.083 13.245 -3.655 1.00 0.53 C ATOM 1916 O GLU B 44 11.164 13.281 -4.246 1.00 0.57 O ATOM 1917 CB GLU B 44 9.511 15.150 -2.163 1.00 0.62 C ATOM 1918 CG GLU B 44 9.722 16.650 -2.251 1.00 0.91 C ATOM 1919 CD GLU B 44 8.419 17.420 -2.248 1.00 1.74 C ATOM 1920 OE1 GLU B 44 7.841 17.616 -1.160 1.00 2.36 O ATOM 1921 OE2 GLU B 44 7.961 17.831 -3.337 1.00 2.52 O ATOM 0 H GLU B 44 7.271 14.370 -2.770 1.00 0.52 H new ATOM 0 HA GLU B 44 9.473 15.186 -4.315 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.682 14.947 -1.485 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.399 14.691 -1.727 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.335 16.977 -1.412 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.276 16.883 -3.160 1.00 0.91 H new ATOM 1928 N LYS B 45 9.580 12.130 -3.143 1.00 0.52 N ATOM 1929 CA LYS B 45 10.300 10.869 -3.209 1.00 0.56 C ATOM 1930 C LYS B 45 10.379 10.369 -4.640 1.00 0.55 C ATOM 1931 O LYS B 45 11.312 9.662 -5.006 1.00 0.59 O ATOM 1932 CB LYS B 45 9.630 9.817 -2.329 1.00 0.61 C ATOM 1933 CG LYS B 45 9.722 10.118 -0.841 1.00 0.75 C ATOM 1934 CD LYS B 45 9.917 8.855 -0.025 1.00 0.96 C ATOM 1935 CE LYS B 45 10.995 9.043 1.030 1.00 1.30 C ATOM 1936 NZ LYS B 45 10.445 9.602 2.292 1.00 1.74 N ATOM 0 H LYS B 45 8.674 12.075 -2.677 1.00 0.52 H new ATOM 0 HA LYS B 45 11.311 11.042 -2.841 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.580 9.736 -2.610 1.00 0.61 H new ATOM 0 HB3 LYS B 45 10.088 8.847 -2.524 1.00 0.61 H new ATOM 0 HG2 LYS B 45 10.552 10.801 -0.658 1.00 0.75 H new ATOM 0 HG3 LYS B 45 8.814 10.625 -0.515 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.978 8.581 0.456 1.00 0.96 H new ATOM 0 HD3 LYS B 45 10.190 8.031 -0.685 1.00 0.96 H new ATOM 0 HE2 LYS B 45 11.473 8.085 1.235 1.00 1.30 H new ATOM 0 HE3 LYS B 45 11.768 9.708 0.645 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 11.206 9.683 2.996 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 10.042 10.543 2.108 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 9.702 8.972 2.656 1.00 1.74 H new ATOM 1950 N HIS B 46 9.435 10.798 -5.467 1.00 0.52 N ATOM 1951 CA HIS B 46 9.438 10.420 -6.875 1.00 0.55 C ATOM 1952 C HIS B 46 10.465 11.241 -7.646 1.00 0.56 C ATOM 1953 O HIS B 46 11.138 10.724 -8.539 1.00 0.58 O ATOM 1954 CB HIS B 46 8.052 10.587 -7.495 1.00 0.59 C ATOM 1955 CG HIS B 46 7.669 9.456 -8.403 1.00 0.70 C ATOM 1956 ND1 HIS B 46 7.741 9.530 -9.776 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.199 8.216 -8.122 1.00 0.81 C ATOM 1958 CE1 HIS B 46 7.335 8.391 -10.300 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.998 7.573 -9.318 1.00 0.99 N ATOM 0 H HIS B 46 8.662 11.404 -5.191 1.00 0.52 H new ATOM 0 HA HIS B 46 9.712 9.367 -6.938 1.00 0.55 H new ATOM 0 HB2 HIS B 46 7.313 10.671 -6.698 1.00 0.59 H new ATOM 0 HB3 HIS B 46 8.023 11.521 -8.057 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.016 7.809 -7.138 1.00 0.81 H new ATOM 0 HE1 HIS B 46 7.286 8.164 -11.355 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.647 6.622 -9.430 1.00 0.99 H new ATOM 1968 N THR B 47 10.633 12.497 -7.248 1.00 0.59 N ATOM 1969 CA THR B 47 11.635 13.366 -7.848 1.00 0.64 C ATOM 1970 C THR B 47 13.034 12.817 -7.589 1.00 0.62 C ATOM 1971 O THR B 47 13.841 12.663 -8.514 1.00 0.65 O ATOM 1972 CB THR B 47 11.531 14.791 -7.283 1.00 0.71 C ATOM 1973 OG1 THR B 47 10.253 14.969 -6.657 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.709 15.825 -8.380 1.00 0.79 C ATOM 0 H THR B 47 10.085 12.937 -6.509 1.00 0.59 H new ATOM 0 HA THR B 47 11.453 13.399 -8.922 1.00 0.64 H new ATOM 0 HB THR B 47 12.324 14.928 -6.548 1.00 0.71 H new ATOM 0 HG1 THR B 47 10.189 15.878 -6.296 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.631 16.825 -7.954 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.689 15.702 -8.840 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.935 15.691 -9.135 1.00 0.79 H new ATOM 1982 N ARG B 48 13.275 12.428 -6.340 1.00 0.59 N ATOM 1983 CA ARG B 48 14.540 11.811 -5.972 1.00 0.61 C ATOM 1984 C ARG B 48 14.670 10.452 -6.634 1.00 0.54 C ATOM 1985 O ARG B 48 15.749 10.080 -7.077 1.00 0.56 O ATOM 1986 CB ARG B 48 14.663 11.645 -4.456 1.00 0.66 C ATOM 1987 CG ARG B 48 14.197 12.849 -3.661 1.00 0.93 C ATOM 1988 CD ARG B 48 15.166 14.013 -3.773 1.00 1.46 C ATOM 1989 NE ARG B 48 14.834 15.079 -2.832 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.609 16.135 -2.583 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.767 16.286 -3.212 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.217 17.047 -1.703 1.00 2.26 N ATOM 0 H ARG B 48 12.613 12.530 -5.571 1.00 0.59 H new ATOM 0 HA ARG B 48 15.338 12.469 -6.314 1.00 0.61 H new ATOM 0 HB2 ARG B 48 14.084 10.774 -4.149 1.00 0.66 H new ATOM 0 HB3 ARG B 48 15.704 11.440 -4.207 1.00 0.66 H new ATOM 0 HG2 ARG B 48 13.214 13.160 -4.016 1.00 0.93 H new ATOM 0 HG3 ARG B 48 14.084 12.570 -2.613 1.00 0.93 H new ATOM 0 HD2 ARG B 48 16.181 13.662 -3.584 1.00 1.46 H new ATOM 0 HD3 ARG B 48 15.149 14.405 -4.790 1.00 1.46 H new ATOM 0 HE ARG B 48 13.948 15.011 -2.331 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.072 15.591 -3.893 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.353 17.097 -3.014 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.325 16.939 -1.219 1.00 2.26 H new ATOM 0 HH22 ARG B 48 15.807 17.856 -1.510 1.00 2.26 H new ATOM 2006 N PHE B 49 13.560 9.725 -6.705 1.00 0.49 N ATOM 2007 CA PHE B 49 13.532 8.402 -7.319 1.00 0.45 C ATOM 2008 C PHE B 49 14.030 8.464 -8.755 1.00 0.47 C ATOM 2009 O PHE B 49 14.883 7.682 -9.154 1.00 0.48 O ATOM 2010 CB PHE B 49 12.113 7.831 -7.297 1.00 0.48 C ATOM 2011 CG PHE B 49 11.965 6.590 -6.462 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.995 6.173 -5.635 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.802 5.843 -6.506 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.863 5.034 -4.865 1.00 0.87 C ATOM 2015 CE2 PHE B 49 10.665 4.703 -5.740 1.00 1.27 C ATOM 2016 CZ PHE B 49 11.690 4.296 -4.922 1.00 0.85 C ATOM 0 H PHE B 49 12.659 10.034 -6.341 1.00 0.49 H new ATOM 0 HA PHE B 49 14.190 7.751 -6.743 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.432 8.594 -6.920 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.807 7.607 -8.319 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.911 6.744 -5.592 1.00 0.83 H new ATOM 0 HD2 PHE B 49 9.991 6.155 -7.147 1.00 1.06 H new ATOM 0 HE1 PHE B 49 13.670 4.719 -4.221 1.00 0.87 H new ATOM 0 HE2 PHE B 49 9.750 4.130 -5.784 1.00 1.27 H new ATOM 0 HZ PHE B 49 11.583 3.403 -4.324 1.00 0.85 H new ATOM 2026 N LYS B 50 13.510 9.422 -9.512 1.00 0.50 N ATOM 2027 CA LYS B 50 13.908 9.602 -10.901 1.00 0.54 C ATOM 2028 C LYS B 50 15.403 9.889 -11.006 1.00 0.53 C ATOM 2029 O LYS B 50 16.124 9.221 -11.750 1.00 0.52 O ATOM 2030 CB LYS B 50 13.111 10.744 -11.536 1.00 0.63 C ATOM 2031 CG LYS B 50 11.969 10.273 -12.421 1.00 0.91 C ATOM 2032 CD LYS B 50 12.437 9.257 -13.452 1.00 1.54 C ATOM 2033 CE LYS B 50 11.355 8.965 -14.473 1.00 2.02 C ATOM 2034 NZ LYS B 50 10.969 7.531 -14.480 1.00 2.55 N ATOM 0 H LYS B 50 12.810 10.088 -9.185 1.00 0.50 H new ATOM 0 HA LYS B 50 13.696 8.677 -11.438 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.709 11.378 -10.746 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.787 11.362 -12.128 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.188 9.830 -11.802 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.526 11.129 -12.929 1.00 0.91 H new ATOM 0 HD2 LYS B 50 13.325 9.634 -13.959 1.00 1.54 H new ATOM 0 HD3 LYS B 50 12.724 8.333 -12.950 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.478 9.575 -14.257 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.706 9.251 -15.465 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 10.227 7.375 -15.192 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 11.799 6.949 -14.712 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 10.610 7.264 -13.541 1.00 2.55 H new ATOM 2048 N ALA B 51 15.864 10.870 -10.244 1.00 0.56 N ATOM 2049 CA ALA B 51 17.268 11.255 -10.269 1.00 0.61 C ATOM 2050 C ALA B 51 18.172 10.128 -9.766 1.00 0.57 C ATOM 2051 O ALA B 51 19.212 9.841 -10.363 1.00 0.58 O ATOM 2052 CB ALA B 51 17.477 12.515 -9.449 1.00 0.71 C ATOM 0 H ALA B 51 15.288 11.413 -9.602 1.00 0.56 H new ATOM 0 HA ALA B 51 17.543 11.455 -11.305 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.530 12.795 -9.474 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.877 13.324 -9.865 1.00 0.71 H new ATOM 0 HB3 ALA B 51 17.174 12.332 -8.418 1.00 0.71 H new ATOM 2058 N ALA B 52 17.778 9.501 -8.667 1.00 0.55 N ATOM 2059 CA ALA B 52 18.566 8.433 -8.075 1.00 0.59 C ATOM 2060 C ALA B 52 18.586 7.195 -8.960 1.00 0.51 C ATOM 2061 O ALA B 52 19.613 6.529 -9.073 1.00 0.54 O ATOM 2062 CB ALA B 52 18.039 8.086 -6.694 1.00 0.67 C ATOM 0 H ALA B 52 16.915 9.715 -8.167 1.00 0.55 H new ATOM 0 HA ALA B 52 19.591 8.792 -7.982 1.00 0.59 H new ATOM 0 HB1 ALA B 52 18.641 7.284 -6.266 1.00 0.67 H new ATOM 0 HB2 ALA B 52 18.095 8.965 -6.052 1.00 0.67 H new ATOM 0 HB3 ALA B 52 17.002 7.759 -6.772 1.00 0.67 H new ATOM 2068 N CYS B 53 17.461 6.887 -9.593 1.00 0.48 N ATOM 2069 CA CYS B 53 17.382 5.720 -10.457 1.00 0.53 C ATOM 2070 C CYS B 53 18.266 5.907 -11.686 1.00 0.50 C ATOM 2071 O CYS B 53 18.865 4.953 -12.179 1.00 0.56 O ATOM 2072 CB CYS B 53 15.930 5.432 -10.866 1.00 0.68 C ATOM 2073 SG CYS B 53 15.321 6.415 -12.258 1.00 1.15 S ATOM 0 H CYS B 53 16.598 7.426 -9.524 1.00 0.48 H new ATOM 0 HA CYS B 53 17.746 4.858 -9.898 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.842 4.376 -11.120 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.284 5.608 -10.006 1.00 0.68 H new ATOM 0 HG CYS B 53 15.887 7.585 -12.244 1.00 1.15 H new ATOM 2079 N ALA B 54 18.417 7.156 -12.119 1.00 0.51 N ATOM 2080 CA ALA B 54 19.299 7.474 -13.235 1.00 0.59 C ATOM 2081 C ALA B 54 20.759 7.449 -12.785 1.00 0.59 C ATOM 2082 O ALA B 54 21.662 7.165 -13.574 1.00 0.70 O ATOM 2083 CB ALA B 54 18.946 8.833 -13.820 1.00 0.69 C ATOM 0 H ALA B 54 17.940 7.962 -11.714 1.00 0.51 H new ATOM 0 HA ALA B 54 19.163 6.719 -14.009 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.614 9.055 -14.652 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.916 8.820 -14.175 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.055 9.599 -13.052 1.00 0.69 H new ATOM 2089 N ARG B 55 20.974 7.736 -11.509 1.00 0.55 N ATOM 2090 CA ARG B 55 22.309 7.741 -10.927 1.00 0.64 C ATOM 2091 C ARG B 55 22.780 6.323 -10.641 1.00 0.59 C ATOM 2092 O ARG B 55 23.978 6.043 -10.628 1.00 0.76 O ATOM 2093 CB ARG B 55 22.315 8.541 -9.626 1.00 0.72 C ATOM 2094 CG ARG B 55 23.216 9.762 -9.668 1.00 1.03 C ATOM 2095 CD ARG B 55 24.211 9.749 -8.520 1.00 1.37 C ATOM 2096 NE ARG B 55 25.405 8.958 -8.830 1.00 1.97 N ATOM 2097 CZ ARG B 55 25.940 8.056 -8.010 1.00 2.64 C ATOM 2098 NH1 ARG B 55 25.352 7.768 -6.853 1.00 2.89 N ATOM 2099 NH2 ARG B 55 27.053 7.426 -8.363 1.00 3.60 N ATOM 0 H ARG B 55 20.232 7.971 -10.850 1.00 0.55 H new ATOM 0 HA ARG B 55 22.986 8.203 -11.646 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.297 8.858 -9.400 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.635 7.891 -8.811 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.752 9.790 -10.617 1.00 1.03 H new ATOM 0 HG3 ARG B 55 22.610 10.667 -9.618 1.00 1.03 H new ATOM 0 HD2 ARG B 55 24.506 10.772 -8.286 1.00 1.37 H new ATOM 0 HD3 ARG B 55 23.730 9.344 -7.630 1.00 1.37 H new ATOM 0 HE ARG B 55 25.855 9.108 -9.733 1.00 1.97 H new ATOM 0 HH11 ARG B 55 24.486 8.239 -6.590 1.00 2.89 H new ATOM 0 HH12 ARG B 55 25.766 7.076 -6.229 1.00 2.89 H new ATOM 0 HH21 ARG B 55 27.494 7.634 -9.259 1.00 3.60 H new ATOM 0 HH22 ARG B 55 27.467 6.734 -7.739 1.00 3.60 H new ATOM 2113 N LYS B 56 21.839 5.474 -10.271 1.00 0.47 N ATOM 2114 CA LYS B 56 22.158 4.125 -9.836 1.00 0.52 C ATOM 2115 C LYS B 56 21.968 3.117 -10.963 1.00 0.51 C ATOM 2116 O LYS B 56 22.388 1.965 -10.851 1.00 0.60 O ATOM 2117 CB LYS B 56 21.275 3.747 -8.647 1.00 0.61 C ATOM 2118 CG LYS B 56 22.044 3.541 -7.357 1.00 0.74 C ATOM 2119 CD LYS B 56 22.200 2.067 -7.038 1.00 0.91 C ATOM 2120 CE LYS B 56 23.646 1.618 -7.162 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.525 2.322 -6.193 1.00 1.85 N ATOM 0 H LYS B 56 20.843 5.695 -10.263 1.00 0.47 H new ATOM 0 HA LYS B 56 23.207 4.103 -9.539 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.531 4.529 -8.495 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.732 2.833 -8.886 1.00 0.61 H new ATOM 0 HG2 LYS B 56 23.028 4.003 -7.440 1.00 0.74 H new ATOM 0 HG3 LYS B 56 21.525 4.040 -6.538 1.00 0.74 H new ATOM 0 HD2 LYS B 56 21.844 1.873 -6.026 1.00 0.91 H new ATOM 0 HD3 LYS B 56 21.577 1.480 -7.713 1.00 0.91 H new ATOM 0 HE2 LYS B 56 23.709 0.543 -6.995 1.00 1.62 H new ATOM 0 HE3 LYS B 56 23.999 1.805 -8.176 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 25.363 1.738 -5.996 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.825 3.233 -6.595 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.004 2.488 -5.309 1.00 1.85 H new ATOM 2135 N GLY B 57 21.265 3.525 -12.010 1.00 0.46 N ATOM 2136 CA GLY B 57 20.936 2.608 -13.083 1.00 0.51 C ATOM 2137 C GLY B 57 19.887 1.612 -12.646 1.00 0.59 C ATOM 2138 O GLY B 57 20.162 0.418 -12.523 1.00 0.75 O ATOM 0 H GLY B 57 20.916 4.475 -12.136 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.573 3.168 -13.945 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.834 2.079 -13.401 1.00 0.51 H new ATOM 2142 N THR B 58 18.746 2.133 -12.231 1.00 0.63 N ATOM 2143 CA THR B 58 17.712 1.324 -11.611 1.00 0.77 C ATOM 2144 C THR B 58 16.336 1.638 -12.201 1.00 0.62 C ATOM 2145 O THR B 58 16.065 2.773 -12.600 1.00 0.57 O ATOM 2146 CB THR B 58 17.692 1.584 -10.092 1.00 1.02 C ATOM 2147 OG1 THR B 58 19.008 1.931 -9.645 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.209 0.373 -9.320 1.00 0.92 C ATOM 0 H THR B 58 18.511 3.122 -12.313 1.00 0.63 H new ATOM 0 HA THR B 58 17.938 0.276 -11.806 1.00 0.77 H new ATOM 0 HB THR B 58 16.999 2.405 -9.907 1.00 1.02 H new ATOM 0 HG1 THR B 58 19.137 1.612 -8.728 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.210 0.597 -8.253 1.00 0.92 H new ATOM 0 HG22 THR B 58 16.197 0.119 -9.637 1.00 0.92 H new ATOM 0 HG23 THR B 58 17.872 -0.470 -9.514 1.00 0.92 H new ATOM 2156 N SER B 59 15.469 0.633 -12.243 1.00 0.66 N ATOM 2157 CA SER B 59 14.110 0.801 -12.744 1.00 0.66 C ATOM 2158 C SER B 59 13.198 1.303 -11.629 1.00 0.62 C ATOM 2159 O SER B 59 13.567 1.245 -10.456 1.00 0.66 O ATOM 2160 CB SER B 59 13.598 -0.536 -13.290 1.00 0.78 C ATOM 2161 OG SER B 59 14.570 -1.557 -13.123 1.00 0.87 O ATOM 0 H SER B 59 15.686 -0.314 -11.933 1.00 0.66 H new ATOM 0 HA SER B 59 14.110 1.538 -13.547 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.679 -0.816 -12.775 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.352 -0.432 -14.347 1.00 0.78 H new ATOM 0 HG SER B 59 14.221 -2.402 -13.477 1.00 0.87 H new ATOM 2167 N ILE B 60 12.023 1.815 -11.995 1.00 0.66 N ATOM 2168 CA ILE B 60 11.090 2.371 -11.017 1.00 0.73 C ATOM 2169 C ILE B 60 10.595 1.299 -10.041 1.00 0.76 C ATOM 2170 O ILE B 60 10.298 1.587 -8.885 1.00 0.85 O ATOM 2171 CB ILE B 60 9.889 3.068 -11.700 1.00 0.85 C ATOM 2172 CG1 ILE B 60 9.150 3.962 -10.698 1.00 0.97 C ATOM 2173 CG2 ILE B 60 8.936 2.050 -12.315 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.736 5.354 -10.580 1.00 0.91 C ATOM 0 H ILE B 60 11.696 1.856 -12.960 1.00 0.66 H new ATOM 0 HA ILE B 60 11.640 3.123 -10.452 1.00 0.73 H new ATOM 0 HB ILE B 60 10.275 3.692 -12.506 1.00 0.85 H new ATOM 0 HG12 ILE B 60 8.105 4.041 -10.996 1.00 0.97 H new ATOM 0 HG13 ILE B 60 9.166 3.486 -9.718 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.103 2.571 -12.787 1.00 1.00 H new ATOM 0 HG22 ILE B 60 9.466 1.461 -13.063 1.00 1.00 H new ATOM 0 HG23 ILE B 60 8.556 1.390 -11.535 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.162 5.930 -9.854 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.773 5.286 -10.251 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.695 5.850 -11.550 1.00 0.91 H new ATOM 2186 N THR B 61 10.578 0.058 -10.492 1.00 0.79 N ATOM 2187 CA THR B 61 10.208 -1.055 -9.640 1.00 0.85 C ATOM 2188 C THR B 61 11.426 -1.551 -8.858 1.00 0.77 C ATOM 2189 O THR B 61 11.319 -1.994 -7.711 1.00 0.75 O ATOM 2190 CB THR B 61 9.650 -2.212 -10.484 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.309 -1.731 -11.793 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.429 -2.832 -9.823 1.00 1.14 C ATOM 0 H THR B 61 10.817 -0.204 -11.448 1.00 0.79 H new ATOM 0 HA THR B 61 9.443 -0.711 -8.944 1.00 0.85 H new ATOM 0 HB THR B 61 10.417 -2.982 -10.566 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.955 -2.470 -12.331 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.055 -3.648 -10.442 1.00 1.14 H new ATOM 0 HG22 THR B 61 8.703 -3.218 -8.841 1.00 1.14 H new ATOM 0 HG23 THR B 61 7.652 -2.076 -9.712 1.00 1.14 H new ATOM 2200 N ASP B 62 12.578 -1.514 -9.517 1.00 0.74 N ATOM 2201 CA ASP B 62 13.814 -2.038 -8.947 1.00 0.73 C ATOM 2202 C ASP B 62 14.300 -1.193 -7.777 1.00 0.62 C ATOM 2203 O ASP B 62 14.854 -1.727 -6.818 1.00 0.61 O ATOM 2204 CB ASP B 62 14.904 -2.118 -10.015 1.00 0.82 C ATOM 2205 CG ASP B 62 15.444 -3.522 -10.198 1.00 1.16 C ATOM 2206 OD1 ASP B 62 14.636 -4.464 -10.340 1.00 1.68 O ATOM 2207 OD2 ASP B 62 16.680 -3.694 -10.178 1.00 1.81 O ATOM 0 H ASP B 62 12.682 -1.124 -10.454 1.00 0.74 H new ATOM 0 HA ASP B 62 13.599 -3.039 -8.574 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.504 -1.761 -10.964 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.722 -1.451 -9.743 1.00 0.82 H new ATOM 2212 N VAL B 63 14.109 0.124 -7.856 1.00 0.60 N ATOM 2213 CA VAL B 63 14.549 1.015 -6.783 1.00 0.57 C ATOM 2214 C VAL B 63 13.867 0.642 -5.475 1.00 0.56 C ATOM 2215 O VAL B 63 14.509 0.586 -4.423 1.00 0.59 O ATOM 2216 CB VAL B 63 14.269 2.505 -7.077 1.00 0.62 C ATOM 2217 CG1 VAL B 63 15.416 3.128 -7.848 1.00 0.81 C ATOM 2218 CG2 VAL B 63 12.959 2.687 -7.823 1.00 1.01 C ATOM 0 H VAL B 63 13.658 0.593 -8.642 1.00 0.60 H new ATOM 0 HA VAL B 63 15.629 0.887 -6.708 1.00 0.57 H new ATOM 0 HB VAL B 63 14.180 3.018 -6.120 1.00 0.62 H new ATOM 0 HG11 VAL B 63 15.196 4.177 -8.043 1.00 0.81 H new ATOM 0 HG12 VAL B 63 16.332 3.052 -7.262 1.00 0.81 H new ATOM 0 HG13 VAL B 63 15.546 2.603 -8.794 1.00 0.81 H new ATOM 0 HG21 VAL B 63 12.793 3.747 -8.014 1.00 1.01 H new ATOM 0 HG22 VAL B 63 13.002 2.150 -8.771 1.00 1.01 H new ATOM 0 HG23 VAL B 63 12.140 2.294 -7.221 1.00 1.01 H new ATOM 2228 N VAL B 64 12.585 0.308 -5.566 1.00 0.55 N ATOM 2229 CA VAL B 64 11.828 -0.128 -4.404 1.00 0.56 C ATOM 2230 C VAL B 64 12.354 -1.466 -3.902 1.00 0.55 C ATOM 2231 O VAL B 64 12.621 -1.628 -2.717 1.00 0.57 O ATOM 2232 CB VAL B 64 10.322 -0.254 -4.701 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.520 -0.177 -3.409 1.00 0.73 C ATOM 2234 CG2 VAL B 64 9.870 0.818 -5.681 1.00 0.67 C ATOM 0 H VAL B 64 12.050 0.332 -6.434 1.00 0.55 H new ATOM 0 HA VAL B 64 11.957 0.636 -3.638 1.00 0.56 H new ATOM 0 HB VAL B 64 10.143 -1.225 -5.162 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.457 -0.267 -3.634 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.820 -0.988 -2.745 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.707 0.780 -2.921 1.00 0.73 H new ATOM 0 HG21 VAL B 64 8.803 0.708 -5.874 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.062 1.803 -5.256 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.421 0.712 -6.616 1.00 0.67 H new ATOM 2244 N ASN B 65 12.599 -2.386 -4.826 1.00 0.55 N ATOM 2245 CA ASN B 65 13.175 -3.684 -4.482 1.00 0.56 C ATOM 2246 C ASN B 65 14.520 -3.514 -3.763 1.00 0.56 C ATOM 2247 O ASN B 65 14.878 -4.309 -2.893 1.00 0.56 O ATOM 2248 CB ASN B 65 13.365 -4.529 -5.748 1.00 0.58 C ATOM 2249 CG ASN B 65 13.302 -6.022 -5.478 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.049 -6.457 -4.354 1.00 0.86 O ATOM 2251 ND2 ASN B 65 13.530 -6.822 -6.511 1.00 1.46 N ATOM 0 H ASN B 65 12.409 -2.260 -5.820 1.00 0.55 H new ATOM 0 HA ASN B 65 12.486 -4.194 -3.809 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.597 -4.264 -6.474 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.327 -4.287 -6.199 1.00 0.58 H new ATOM 0 HD21 ASN B 65 13.499 -7.834 -6.389 1.00 1.46 H new ATOM 0 HD22 ASN B 65 13.736 -6.425 -7.428 1.00 1.46 H new ATOM 2258 N GLN B 66 15.249 -2.463 -4.132 1.00 0.58 N ATOM 2259 CA GLN B 66 16.559 -2.183 -3.555 1.00 0.60 C ATOM 2260 C GLN B 66 16.455 -1.655 -2.124 1.00 0.58 C ATOM 2261 O GLN B 66 17.268 -2.016 -1.266 1.00 0.61 O ATOM 2262 CB GLN B 66 17.308 -1.172 -4.418 1.00 0.65 C ATOM 2263 CG GLN B 66 18.681 -1.648 -4.852 1.00 0.84 C ATOM 2264 CD GLN B 66 19.087 -1.091 -6.199 1.00 1.25 C ATOM 2265 OE1 GLN B 66 19.086 -1.800 -7.201 1.00 2.01 O ATOM 2266 NE2 GLN B 66 19.445 0.182 -6.232 1.00 1.70 N ATOM 0 H GLN B 66 14.950 -1.787 -4.834 1.00 0.58 H new ATOM 0 HA GLN B 66 17.107 -3.125 -3.526 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.712 -0.950 -5.303 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.414 -0.240 -3.863 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.417 -1.354 -4.104 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.688 -2.737 -4.896 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.432 0.738 -5.377 1.00 1.70 H new ATOM 0 HE22 GLN B 66 19.734 0.608 -7.113 1.00 1.70 H new ATOM 2275 N LEU B 67 15.489 -0.776 -1.866 1.00 0.55 N ATOM 2276 CA LEU B 67 15.344 -0.206 -0.531 1.00 0.55 C ATOM 2277 C LEU B 67 14.830 -1.256 0.440 1.00 0.50 C ATOM 2278 O LEU B 67 15.315 -1.356 1.568 1.00 0.50 O ATOM 2279 CB LEU B 67 14.424 1.020 -0.517 1.00 0.57 C ATOM 2280 CG LEU B 67 13.245 1.001 -1.483 1.00 0.64 C ATOM 2281 CD1 LEU B 67 11.967 0.644 -0.747 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.103 2.351 -2.165 1.00 0.67 C ATOM 0 H LEU B 67 14.807 -0.448 -2.550 1.00 0.55 H new ATOM 0 HA LEU B 67 16.333 0.126 -0.216 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.034 1.142 0.494 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.028 1.901 -0.734 1.00 0.57 H new ATOM 0 HG LEU B 67 13.430 0.244 -2.245 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.133 0.634 -1.449 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.071 -0.342 -0.294 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.777 1.383 0.031 1.00 0.97 H new ATOM 0 HD21 LEU B 67 12.257 2.324 -2.852 1.00 0.67 H new ATOM 0 HD22 LEU B 67 12.935 3.122 -1.413 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.014 2.576 -2.719 1.00 0.67 H new ATOM 2294 N VAL B 68 13.915 -2.096 -0.037 1.00 0.48 N ATOM 2295 CA VAL B 68 13.418 -3.204 0.765 1.00 0.45 C ATOM 2296 C VAL B 68 14.555 -4.156 1.092 1.00 0.42 C ATOM 2297 O VAL B 68 14.668 -4.637 2.211 1.00 0.40 O ATOM 2298 CB VAL B 68 12.302 -4.001 0.054 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.652 -4.977 1.020 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.259 -3.071 -0.539 1.00 1.07 C ATOM 0 H VAL B 68 13.506 -2.029 -0.969 1.00 0.48 H new ATOM 0 HA VAL B 68 12.999 -2.769 1.672 1.00 0.45 H new ATOM 0 HB VAL B 68 12.756 -4.563 -0.762 1.00 0.46 H new ATOM 0 HG11 VAL B 68 10.868 -5.531 0.505 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.403 -5.673 1.394 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.219 -4.428 1.856 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.486 -3.659 -1.033 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.809 -2.475 0.255 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.732 -2.410 -1.265 1.00 1.07 H new ATOM 2310 N ASP B 69 15.418 -4.376 0.108 1.00 0.47 N ATOM 2311 CA ASP B 69 16.576 -5.250 0.266 1.00 0.49 C ATOM 2312 C ASP B 69 17.424 -4.837 1.453 1.00 0.48 C ATOM 2313 O ASP B 69 17.670 -5.634 2.359 1.00 0.49 O ATOM 2314 CB ASP B 69 17.440 -5.221 -0.990 1.00 0.60 C ATOM 2315 CG ASP B 69 17.288 -6.481 -1.821 1.00 0.84 C ATOM 2316 OD1 ASP B 69 16.640 -7.444 -1.354 1.00 1.09 O ATOM 2317 OD2 ASP B 69 17.827 -6.520 -2.945 1.00 1.46 O ATOM 0 H ASP B 69 15.337 -3.956 -0.818 1.00 0.47 H new ATOM 0 HA ASP B 69 16.199 -6.259 0.435 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.170 -4.355 -1.594 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.485 -5.099 -0.707 1.00 0.60 H new ATOM 2322 N ASN B 70 17.897 -3.599 1.422 1.00 0.55 N ATOM 2323 CA ASN B 70 18.772 -3.091 2.468 1.00 0.61 C ATOM 2324 C ASN B 70 18.121 -3.209 3.839 1.00 0.56 C ATOM 2325 O ASN B 70 18.691 -3.798 4.750 1.00 0.60 O ATOM 2326 CB ASN B 70 19.150 -1.633 2.201 1.00 0.74 C ATOM 2327 CG ASN B 70 20.372 -1.205 2.992 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.440 -1.809 2.887 1.00 1.88 O ATOM 2329 ND2 ASN B 70 20.226 -0.168 3.797 1.00 2.19 N ATOM 0 H ASN B 70 17.689 -2.928 0.683 1.00 0.55 H new ATOM 0 HA ASN B 70 19.676 -3.700 2.460 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.342 -1.498 1.137 1.00 0.74 H new ATOM 0 HB3 ASN B 70 18.309 -0.988 2.457 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.014 0.157 4.358 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.326 0.308 3.858 1.00 2.19 H new ATOM 2336 N TRP B 71 16.923 -2.659 3.975 1.00 0.54 N ATOM 2337 CA TRP B 71 16.223 -2.674 5.250 1.00 0.54 C ATOM 2338 C TRP B 71 15.934 -4.098 5.714 1.00 0.47 C ATOM 2339 O TRP B 71 16.227 -4.457 6.853 1.00 0.53 O ATOM 2340 CB TRP B 71 14.911 -1.890 5.153 1.00 0.57 C ATOM 2341 CG TRP B 71 14.216 -1.730 6.472 1.00 0.64 C ATOM 2342 CD1 TRP B 71 14.320 -0.668 7.323 1.00 0.81 C ATOM 2343 CD2 TRP B 71 13.311 -2.657 7.095 1.00 0.61 C ATOM 2344 NE1 TRP B 71 13.546 -0.877 8.437 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.915 -2.089 8.319 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.797 -3.911 6.735 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 12.038 -2.731 9.186 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.925 -4.544 7.598 1.00 0.62 C ATOM 2349 CH2 TRP B 71 11.551 -3.954 8.809 1.00 0.74 C ATOM 0 H TRP B 71 16.417 -2.198 3.219 1.00 0.54 H new ATOM 0 HA TRP B 71 16.875 -2.199 5.983 1.00 0.54 H new ATOM 0 HB2 TRP B 71 15.115 -0.904 4.736 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.243 -2.398 4.458 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.924 0.210 7.146 1.00 0.81 H new ATOM 0 HE1 TRP B 71 13.455 -0.235 9.225 1.00 0.86 H new ATOM 0 HE3 TRP B 71 13.078 -4.373 5.800 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 11.751 -2.281 10.125 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.525 -5.512 7.333 1.00 0.62 H new ATOM 0 HH2 TRP B 71 10.864 -4.473 9.461 1.00 0.74 H new ATOM 2360 N LEU B 72 15.257 -4.860 4.867 1.00 0.42 N ATOM 2361 CA LEU B 72 14.774 -6.188 5.226 1.00 0.44 C ATOM 2362 C LEU B 72 15.882 -7.073 5.779 1.00 0.55 C ATOM 2363 O LEU B 72 15.679 -7.802 6.750 1.00 0.65 O ATOM 2364 CB LEU B 72 14.138 -6.858 4.007 1.00 0.50 C ATOM 2365 CG LEU B 72 13.100 -7.925 4.325 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.725 -7.490 3.844 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.498 -9.251 3.690 1.00 0.60 C ATOM 0 H LEU B 72 15.027 -4.577 3.914 1.00 0.42 H new ATOM 0 HA LEU B 72 14.030 -6.062 6.012 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.670 -6.089 3.392 1.00 0.50 H new ATOM 0 HB3 LEU B 72 14.928 -7.309 3.406 1.00 0.50 H new ATOM 0 HG LEU B 72 13.056 -8.059 5.406 1.00 0.47 H new ATOM 0 HD11 LEU B 72 10.995 -8.265 4.080 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.442 -6.562 4.341 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.750 -7.331 2.766 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.748 -10.006 3.924 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.566 -9.131 2.609 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.465 -9.566 4.082 1.00 0.60 H new ATOM 2379 N LYS B 73 17.021 -7.074 5.108 1.00 0.63 N ATOM 2380 CA LYS B 73 18.099 -7.982 5.463 1.00 0.83 C ATOM 2381 C LYS B 73 19.046 -7.377 6.502 1.00 0.97 C ATOM 2382 O LYS B 73 19.779 -8.104 7.171 1.00 1.13 O ATOM 2383 CB LYS B 73 18.864 -8.388 4.201 1.00 0.96 C ATOM 2384 CG LYS B 73 17.963 -8.912 3.089 1.00 0.92 C ATOM 2385 CD LYS B 73 18.487 -8.530 1.714 1.00 1.16 C ATOM 2386 CE LYS B 73 18.582 -9.736 0.795 1.00 1.41 C ATOM 2387 NZ LYS B 73 17.506 -9.743 -0.233 1.00 1.79 N ATOM 0 H LYS B 73 17.223 -6.460 4.319 1.00 0.63 H new ATOM 0 HA LYS B 73 17.657 -8.867 5.920 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.422 -7.528 3.831 1.00 0.96 H new ATOM 0 HB3 LYS B 73 19.594 -9.155 4.459 1.00 0.96 H new ATOM 0 HG2 LYS B 73 17.889 -9.997 3.162 1.00 0.92 H new ATOM 0 HG3 LYS B 73 16.956 -8.514 3.218 1.00 0.92 H new ATOM 0 HD2 LYS B 73 17.830 -7.784 1.268 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.470 -8.070 1.814 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.554 -9.740 0.302 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.522 -10.649 1.388 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 17.721 -10.459 -0.956 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 16.597 -9.969 0.218 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 17.447 -8.806 -0.680 1.00 1.79 H new ATOM 2401 N GLU B 74 19.059 -6.054 6.624 1.00 0.99 N ATOM 2402 CA GLU B 74 19.971 -5.395 7.558 1.00 1.22 C ATOM 2403 C GLU B 74 19.309 -5.064 8.893 1.00 1.27 C ATOM 2404 O GLU B 74 19.979 -5.040 9.925 1.00 1.50 O ATOM 2405 CB GLU B 74 20.543 -4.118 6.948 1.00 1.37 C ATOM 2406 CG GLU B 74 21.965 -4.271 6.444 1.00 1.81 C ATOM 2407 CD GLU B 74 22.962 -4.438 7.569 1.00 2.23 C ATOM 2408 OE1 GLU B 74 23.453 -3.414 8.091 1.00 2.51 O ATOM 2409 OE2 GLU B 74 23.249 -5.592 7.945 1.00 2.78 O ATOM 0 H GLU B 74 18.457 -5.422 6.096 1.00 0.99 H new ATOM 0 HA GLU B 74 20.775 -6.105 7.751 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.905 -3.802 6.122 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.514 -3.324 7.694 1.00 1.37 H new ATOM 0 HG2 GLU B 74 22.021 -5.135 5.781 1.00 1.81 H new ATOM 0 HG3 GLU B 74 22.233 -3.396 5.851 1.00 1.81 H new ATOM 2416 N ASN B 75 18.033 -4.691 8.863 1.00 1.11 N ATOM 2417 CA ASN B 75 17.346 -4.221 10.071 1.00 1.21 C ATOM 2418 C ASN B 75 16.856 -5.380 10.920 1.00 1.14 C ATOM 2419 O ASN B 75 16.705 -5.253 12.135 1.00 1.29 O ATOM 2420 CB ASN B 75 16.168 -3.315 9.708 1.00 1.28 C ATOM 2421 CG ASN B 75 15.937 -2.238 10.749 1.00 1.61 C ATOM 2422 OD1 ASN B 75 15.097 -2.379 11.641 1.00 1.88 O ATOM 2423 ND2 ASN B 75 16.679 -1.149 10.641 1.00 1.97 N ATOM 0 H ASN B 75 17.453 -4.703 8.024 1.00 1.11 H new ATOM 0 HA ASN B 75 18.070 -3.651 10.653 1.00 1.21 H new ATOM 0 HB2 ASN B 75 16.354 -2.849 8.740 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.266 -3.918 9.604 1.00 1.28 H new ATOM 0 HD21 ASN B 75 16.567 -0.387 11.310 1.00 1.97 H new ATOM 0 HD22 ASN B 75 17.363 -1.071 9.889 1.00 1.97 H new ATOM 2430 N GLU B 76 16.620 -6.512 10.282 1.00 1.01 N ATOM 2431 CA GLU B 76 16.159 -7.696 10.987 1.00 1.08 C ATOM 2432 C GLU B 76 17.345 -8.457 11.577 1.00 1.38 C ATOM 2433 O GLU B 76 17.197 -9.049 12.667 1.00 1.93 O ATOM 2434 CB GLU B 76 15.368 -8.592 10.041 1.00 1.36 C ATOM 2435 CG GLU B 76 13.918 -8.770 10.456 1.00 1.88 C ATOM 2436 CD GLU B 76 13.635 -10.148 11.018 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.812 -11.142 10.281 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.221 -10.245 12.193 1.00 2.67 O ATOM 2439 OXT GLU B 76 18.430 -8.441 10.956 1.00 1.90 O ATOM 0 H GLU B 76 16.740 -6.637 9.277 1.00 1.01 H new ATOM 0 HA GLU B 76 15.507 -7.388 11.804 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.402 -8.169 9.037 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.847 -9.570 9.991 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.663 -8.018 11.203 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.274 -8.594 9.595 1.00 1.88 H new