USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 850 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 115 THR OG1 : rot 125:sc= 0.883 USER MOD Set 1.2: A 139 CYS SG : rot -89:sc= -2.87! USER MOD Set 2.1: A 81 GLN : amide:sc= -0.427 K(o=-0.86,f=-2.9!) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 127 SER OG : rot -170:sc= -0.435 USER MOD Set 3.1: A 93 CYS SG : rot 180:sc= 0.318 USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= 0.195 F(o=-2.2!,f=0.51) USER MOD Set 4.1: A 69 HIS : no HE2:sc= -7.97! C(o=-10!,f=-14!) USER MOD Set 4.2: A 71 GLN :FLIP amide:sc= -2.23! C(o=-15!,f=-10!) USER MOD Set 5.1: A 67 THR OG1 : rot 51:sc= -2.11! USER MOD Set 5.2: A 146 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 42 ASN :FLIP amide:sc= -3.95! C(o=-7.2!,f=-4!) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -1.57! (180deg=-1.98) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 1.23 (180deg=0.574) USER MOD Single : A 49 THR OG1 : rot 49:sc= 0.0827 USER MOD Single : A 57 SER OG : rot 33:sc= 0.168 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.287 (180deg=-3.45!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.474 F(o=-5.2!,f=-0.47) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 73 SER OG : rot 170:sc= -0.487 USER MOD Single : A 76 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 78:sc= 0.892 USER MOD Single : A 102 SER OG : rot -120:sc= -0.648 USER MOD Single : A 106 MET CE :methyl -120:sc= -3.65 (180deg=-5.02!) USER MOD Single : A 111 THR OG1 : rot 180:sc=-0.000377 USER MOD Single : A 113 MET CE :methyl -167:sc= 0 (180deg=-0.168) USER MOD Single : A 118 SER OG : rot 179:sc= -0.186 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 123:sc= -2.58! USER MOD Single : A 125 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.8!) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 145 LYS NZ :NH3+ -149:sc= 2.36 (180deg=0.678) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.920 1.459 2.579 1.00 0.53 N ATOM 490 CA TRP A 36 -7.034 2.622 2.505 1.00 0.45 C ATOM 491 C TRP A 36 -6.865 3.135 1.078 1.00 0.46 C ATOM 492 O TRP A 36 -7.588 2.740 0.159 1.00 0.52 O ATOM 493 CB TRP A 36 -5.651 2.284 3.061 1.00 0.38 C ATOM 494 CG TRP A 36 -5.642 1.214 4.106 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.484 1.078 5.176 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.714 0.131 4.185 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.141 -0.034 5.905 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.053 -0.630 5.320 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.626 -0.270 3.406 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.342 -1.769 5.686 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.931 -1.393 3.772 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.283 -2.130 4.902 1.00 0.19 C ATOM 0 HA TRP A 36 -7.505 3.402 3.103 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.009 1.973 2.237 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.213 3.189 3.483 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.298 1.747 5.412 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.618 -0.363 6.745 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.338 0.295 2.532 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.617 -2.346 6.557 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.092 -1.714 3.172 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.706 -3.005 5.163 1.00 0.19 H new ATOM 513 N LEU A 37 -5.877 4.000 0.907 1.00 0.43 N ATOM 514 CA LEU A 37 -5.613 4.629 -0.371 1.00 0.42 C ATOM 515 C LEU A 37 -5.087 3.619 -1.378 1.00 0.37 C ATOM 516 O LEU A 37 -3.985 3.085 -1.226 1.00 0.35 O ATOM 517 CB LEU A 37 -4.596 5.759 -0.199 1.00 0.45 C ATOM 518 CG LEU A 37 -4.229 6.509 -1.486 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.454 7.184 -2.087 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.136 7.534 -1.218 1.00 0.50 C ATOM 0 H LEU A 37 -5.239 4.283 1.651 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.551 5.037 -0.747 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.992 6.476 0.520 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.685 5.344 0.233 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.851 5.782 -2.205 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.169 7.710 -2.999 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.206 6.431 -2.322 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.865 7.896 -1.371 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.891 8.055 -2.144 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.486 8.254 -0.478 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.248 7.028 -0.840 1.00 0.50 H new ATOM 532 N ASP A 38 -5.906 3.349 -2.382 1.00 0.38 N ATOM 533 CA ASP A 38 -5.524 2.521 -3.512 1.00 0.41 C ATOM 534 C ASP A 38 -4.405 3.183 -4.308 1.00 0.39 C ATOM 535 O ASP A 38 -4.633 4.105 -5.084 1.00 0.44 O ATOM 536 CB ASP A 38 -6.752 2.239 -4.392 1.00 0.56 C ATOM 537 CG ASP A 38 -7.671 3.443 -4.531 1.00 1.78 C ATOM 538 OD1 ASP A 38 -8.357 3.785 -3.552 1.00 2.51 O ATOM 539 OD2 ASP A 38 -7.694 4.050 -5.625 1.00 2.14 O ATOM 0 H ASP A 38 -6.862 3.702 -2.435 1.00 0.38 H new ATOM 0 HA ASP A 38 -5.143 1.568 -3.145 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.419 1.926 -5.382 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -7.314 1.407 -3.967 1.00 0.56 H new ATOM 544 N ILE A 39 -3.186 2.695 -4.084 1.00 0.38 N ATOM 545 CA ILE A 39 -1.977 3.275 -4.669 1.00 0.38 C ATOM 546 C ILE A 39 -2.074 3.388 -6.186 1.00 0.39 C ATOM 547 O ILE A 39 -1.710 4.410 -6.767 1.00 0.46 O ATOM 548 CB ILE A 39 -0.733 2.436 -4.297 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.499 2.492 -2.784 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.496 2.912 -5.064 1.00 0.41 C ATOM 551 CD1 ILE A 39 0.822 1.897 -2.343 1.00 0.43 C ATOM 0 H ILE A 39 -3.008 1.885 -3.491 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.878 4.279 -4.257 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.912 1.399 -4.581 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.545 3.531 -2.458 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -1.309 1.964 -2.281 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.357 2.305 -4.784 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.317 2.815 -6.135 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.694 3.956 -4.822 1.00 0.41 H new ATOM 0 HD11 ILE A 39 0.912 1.975 -1.260 1.00 0.43 H new ATOM 0 HD12 ILE A 39 0.865 0.848 -2.636 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.641 2.439 -2.815 1.00 0.43 H new ATOM 563 N LEU A 40 -2.568 2.338 -6.822 1.00 0.39 N ATOM 564 CA LEU A 40 -2.704 2.322 -8.273 1.00 0.49 C ATOM 565 C LEU A 40 -4.171 2.383 -8.672 1.00 0.49 C ATOM 566 O LEU A 40 -4.527 2.142 -9.826 1.00 0.62 O ATOM 567 CB LEU A 40 -2.049 1.066 -8.856 1.00 0.56 C ATOM 568 CG LEU A 40 -0.552 0.923 -8.570 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.007 -0.353 -9.189 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.209 2.128 -9.094 1.00 0.72 C ATOM 0 H LEU A 40 -2.882 1.485 -6.358 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.198 3.200 -8.676 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.564 0.190 -8.462 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.199 1.065 -9.936 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.416 0.869 -7.490 1.00 0.59 H new ATOM 0 HD11 LEU A 40 1.058 -0.435 -8.974 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -0.529 -1.213 -8.770 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.158 -0.327 -10.268 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.271 2.008 -8.881 1.00 0.72 H new ATOM 0 HD22 LEU A 40 0.062 2.211 -10.171 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.159 3.031 -8.607 1.00 0.72 H new ATOM 582 N GLY A 41 -5.018 2.699 -7.699 1.00 0.43 N ATOM 583 CA GLY A 41 -6.447 2.760 -7.934 1.00 0.51 C ATOM 584 C GLY A 41 -7.071 1.395 -8.152 1.00 0.45 C ATOM 585 O GLY A 41 -8.275 1.279 -8.373 1.00 0.52 O ATOM 0 H GLY A 41 -4.736 2.916 -6.743 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.929 3.242 -7.084 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.640 3.385 -8.806 1.00 0.51 H new ATOM 589 N ASN A 42 -6.246 0.355 -8.097 1.00 0.39 N ATOM 590 CA ASN A 42 -6.717 -1.007 -8.331 1.00 0.42 C ATOM 591 C ASN A 42 -7.375 -1.602 -7.084 1.00 0.43 C ATOM 592 O ASN A 42 -8.281 -2.421 -7.190 1.00 0.56 O ATOM 593 CB ASN A 42 -5.574 -1.910 -8.843 1.00 0.49 C ATOM 594 CG ASN A 42 -4.475 -2.209 -7.824 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.204 -1.287 -6.915 1.00 0.95 O flip ATOM 596 ND2 ASN A 42 -3.864 -3.270 -7.859 1.00 0.44 N flip ATOM 0 H ASN A 42 -5.249 0.428 -7.893 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.481 -0.958 -9.107 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.002 -2.854 -9.180 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.121 -1.437 -9.714 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -4.091 -3.966 -8.569 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -3.128 -3.458 -7.178 1.00 0.44 H new ATOM 603 N GLY A 43 -6.925 -1.180 -5.905 1.00 0.40 N ATOM 604 CA GLY A 43 -7.522 -1.658 -4.668 1.00 0.50 C ATOM 605 C GLY A 43 -6.783 -2.852 -4.096 1.00 0.45 C ATOM 606 O GLY A 43 -6.960 -3.203 -2.933 1.00 0.72 O ATOM 0 H GLY A 43 -6.159 -0.517 -5.784 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.528 -0.852 -3.935 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.562 -1.930 -4.850 1.00 0.50 H new ATOM 610 N LEU A 44 -5.945 -3.464 -4.918 1.00 0.29 N ATOM 611 CA LEU A 44 -5.157 -4.626 -4.513 1.00 0.36 C ATOM 612 C LEU A 44 -3.963 -4.157 -3.703 1.00 0.25 C ATOM 613 O LEU A 44 -3.469 -4.847 -2.820 1.00 0.27 O ATOM 614 CB LEU A 44 -4.645 -5.388 -5.746 1.00 0.60 C ATOM 615 CG LEU A 44 -5.684 -6.160 -6.575 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.210 -7.354 -5.796 1.00 1.46 C ATOM 617 CD2 LEU A 44 -6.835 -5.265 -7.004 1.00 1.56 C ATOM 0 H LEU A 44 -5.789 -3.173 -5.883 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.788 -5.288 -3.920 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.151 -4.673 -6.404 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.884 -6.095 -5.415 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.184 -6.517 -7.475 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -6.944 -7.887 -6.400 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -5.384 -8.023 -5.554 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.679 -7.009 -4.875 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.549 -5.846 -7.588 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -7.331 -4.862 -6.121 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -6.452 -4.445 -7.611 1.00 1.56 H new ATOM 629 N LEU A 45 -3.505 -2.969 -4.056 1.00 0.23 N ATOM 630 CA LEU A 45 -2.344 -2.357 -3.441 1.00 0.22 C ATOM 631 C LEU A 45 -2.735 -1.034 -2.778 1.00 0.22 C ATOM 632 O LEU A 45 -3.139 -0.088 -3.460 1.00 0.32 O ATOM 633 CB LEU A 45 -1.271 -2.153 -4.515 1.00 0.30 C ATOM 634 CG LEU A 45 -0.157 -1.161 -4.169 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.568 -1.592 -2.907 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.820 -1.037 -5.327 1.00 0.31 C ATOM 0 H LEU A 45 -3.934 -2.398 -4.784 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.943 -3.005 -2.661 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.816 -3.119 -4.734 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.759 -1.816 -5.429 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.608 -0.185 -3.990 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.356 -0.875 -2.677 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.138 -1.633 -2.078 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.008 -2.578 -3.059 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.606 -0.328 -5.066 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.264 -2.011 -5.535 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.292 -0.683 -6.212 1.00 0.31 H new ATOM 648 N ARG A 46 -2.642 -0.980 -1.448 1.00 0.20 N ATOM 649 CA ARG A 46 -3.090 0.187 -0.687 1.00 0.22 C ATOM 650 C ARG A 46 -2.136 0.501 0.463 1.00 0.19 C ATOM 651 O ARG A 46 -1.659 -0.409 1.132 1.00 0.19 O ATOM 652 CB ARG A 46 -4.480 -0.085 -0.129 1.00 0.25 C ATOM 653 CG ARG A 46 -5.461 -0.553 -1.188 1.00 0.36 C ATOM 654 CD ARG A 46 -6.828 -0.823 -0.598 1.00 0.37 C ATOM 655 NE ARG A 46 -6.807 -1.939 0.352 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.850 -2.740 0.571 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.955 -2.596 -0.151 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.779 -3.691 1.498 1.00 0.99 N ATOM 0 H ARG A 46 -2.260 -1.732 -0.875 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.110 1.047 -1.356 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.410 -0.841 0.654 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.863 0.823 0.338 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.544 0.203 -1.968 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.082 -1.459 -1.661 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.189 0.074 -0.095 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.532 -1.044 -1.401 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.948 -2.112 0.874 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.004 -1.874 -0.870 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.755 -3.207 0.014 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.925 -3.809 2.043 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.578 -4.302 1.664 1.00 0.99 H new ATOM 672 N LYS A 47 -1.895 1.789 0.700 1.00 0.20 N ATOM 673 CA LYS A 47 -0.965 2.237 1.738 1.00 0.17 C ATOM 674 C LYS A 47 -1.729 2.857 2.909 1.00 0.18 C ATOM 675 O LYS A 47 -2.528 3.771 2.719 1.00 0.22 O ATOM 676 CB LYS A 47 -0.005 3.283 1.149 1.00 0.23 C ATOM 677 CG LYS A 47 1.345 3.349 1.845 1.00 0.25 C ATOM 678 CD LYS A 47 2.066 4.657 1.577 1.00 0.32 C ATOM 679 CE LYS A 47 1.436 5.811 2.349 1.00 0.20 C ATOM 680 NZ LYS A 47 2.432 6.856 2.723 1.00 0.35 N ATOM 0 H LYS A 47 -2.336 2.549 0.182 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.402 1.376 2.099 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.153 3.062 0.093 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.477 4.264 1.202 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.204 3.227 2.919 1.00 0.25 H new ATOM 0 HG3 LYS A 47 1.966 2.519 1.509 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.115 4.560 1.858 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.041 4.875 0.509 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.649 6.263 1.744 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.962 5.425 3.252 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.936 7.738 2.964 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.982 6.533 3.544 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 3.073 7.027 1.922 1.00 0.35 H new ATOM 694 N LYS A 48 -1.486 2.356 4.112 1.00 0.16 N ATOM 695 CA LYS A 48 -2.092 2.916 5.316 1.00 0.18 C ATOM 696 C LYS A 48 -1.050 3.666 6.126 1.00 0.17 C ATOM 697 O LYS A 48 -0.114 3.062 6.656 1.00 0.22 O ATOM 698 CB LYS A 48 -2.705 1.816 6.185 1.00 0.25 C ATOM 699 CG LYS A 48 -3.300 2.316 7.499 1.00 0.32 C ATOM 700 CD LYS A 48 -3.814 1.172 8.367 1.00 0.69 C ATOM 701 CE LYS A 48 -2.725 0.154 8.652 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.146 -0.871 9.643 1.00 1.07 N ATOM 0 H LYS A 48 -0.871 1.560 4.282 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.881 3.601 5.005 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.485 1.310 5.615 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -1.939 1.073 6.405 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.544 2.877 8.049 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.117 3.006 7.287 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.195 1.571 9.307 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -4.649 0.682 7.867 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -2.442 -0.340 7.722 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -1.839 0.669 9.022 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -2.640 -1.761 9.458 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -2.922 -0.538 10.603 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.170 -1.032 9.562 1.00 1.07 H new ATOM 716 N THR A 49 -1.210 4.971 6.223 1.00 0.18 N ATOM 717 CA THR A 49 -0.302 5.785 7.005 1.00 0.20 C ATOM 718 C THR A 49 -0.585 5.638 8.495 1.00 0.21 C ATOM 719 O THR A 49 -1.527 6.236 9.018 1.00 0.29 O ATOM 720 CB THR A 49 -0.408 7.271 6.612 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.781 7.626 6.391 1.00 0.33 O ATOM 722 CG2 THR A 49 0.401 7.564 5.361 1.00 0.25 C ATOM 0 H THR A 49 -1.961 5.491 5.769 1.00 0.18 H new ATOM 0 HA THR A 49 0.708 5.434 6.795 1.00 0.20 H new ATOM 0 HB THR A 49 -0.005 7.866 7.432 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.325 7.315 7.145 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.308 8.620 5.107 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.449 7.325 5.541 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.027 6.958 4.536 1.00 0.25 H new ATOM 730 N LEU A 50 0.204 4.808 9.169 1.00 0.18 N ATOM 731 CA LEU A 50 0.143 4.736 10.623 1.00 0.21 C ATOM 732 C LEU A 50 0.572 6.087 11.149 1.00 0.23 C ATOM 733 O LEU A 50 -0.096 6.713 11.966 1.00 0.28 O ATOM 734 CB LEU A 50 1.093 3.660 11.143 1.00 0.21 C ATOM 735 CG LEU A 50 1.028 2.332 10.401 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.204 1.457 10.798 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.292 1.641 10.686 1.00 0.24 C ATOM 0 H LEU A 50 0.885 4.183 8.738 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.865 4.483 10.952 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.113 4.040 11.089 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.875 3.482 12.196 1.00 0.21 H new ATOM 0 HG LEU A 50 1.089 2.515 9.328 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.149 0.509 10.262 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.136 1.963 10.546 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.172 1.270 11.871 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.329 0.692 10.151 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.383 1.458 11.757 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.114 2.276 10.356 1.00 0.24 H new ATOM 749 N VAL A 51 1.710 6.510 10.634 1.00 0.23 N ATOM 750 CA VAL A 51 2.223 7.853 10.798 1.00 0.27 C ATOM 751 C VAL A 51 2.799 8.252 9.469 1.00 0.24 C ATOM 752 O VAL A 51 3.463 7.434 8.853 1.00 0.23 O ATOM 753 CB VAL A 51 3.350 7.907 11.836 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.972 9.296 11.908 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.845 7.476 13.197 1.00 0.36 C ATOM 0 H VAL A 51 2.318 5.912 10.075 1.00 0.23 H new ATOM 0 HA VAL A 51 1.422 8.511 11.135 1.00 0.27 H new ATOM 0 HB VAL A 51 4.127 7.211 11.520 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.767 9.300 12.653 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.385 9.561 10.935 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.209 10.022 12.188 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.660 7.522 13.919 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.042 8.141 13.514 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.469 6.455 13.139 1.00 0.36 H new ATOM 765 N PRO A 52 2.509 9.451 8.970 1.00 0.29 N ATOM 766 CA PRO A 52 3.084 9.946 7.738 1.00 0.32 C ATOM 767 C PRO A 52 4.123 11.048 7.951 1.00 0.34 C ATOM 768 O PRO A 52 3.939 12.188 7.522 1.00 0.54 O ATOM 769 CB PRO A 52 1.832 10.468 7.071 1.00 0.41 C ATOM 770 CG PRO A 52 0.996 11.026 8.196 1.00 0.46 C ATOM 771 CD PRO A 52 1.511 10.398 9.476 1.00 0.37 C ATOM 0 HA PRO A 52 3.646 9.202 7.173 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.068 11.237 6.335 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.305 9.673 6.544 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.079 12.112 8.237 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.058 10.792 8.047 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.952 11.137 10.145 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.719 9.897 10.033 1.00 0.37 H new ATOM 779 N GLY A 53 5.219 10.683 8.612 1.00 0.24 N ATOM 780 CA GLY A 53 6.293 11.609 8.862 1.00 0.28 C ATOM 781 C GLY A 53 5.987 12.557 10.001 1.00 0.29 C ATOM 782 O GLY A 53 4.842 12.974 10.176 1.00 0.55 O ATOM 0 H GLY A 53 5.376 9.745 8.981 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.202 11.053 9.091 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.490 12.184 7.958 1.00 0.28 H new ATOM 821 N SER A 57 8.459 16.617 7.210 1.00 0.52 N ATOM 822 CA SER A 57 9.353 15.627 6.641 1.00 0.40 C ATOM 823 C SER A 57 9.397 15.814 5.125 1.00 0.34 C ATOM 824 O SER A 57 8.854 16.790 4.602 1.00 0.43 O ATOM 825 CB SER A 57 8.893 14.208 7.007 1.00 0.40 C ATOM 826 OG SER A 57 8.684 14.091 8.406 1.00 0.99 O ATOM 0 HA SER A 57 10.355 15.761 7.049 1.00 0.40 H new ATOM 0 HB2 SER A 57 7.971 13.971 6.476 1.00 0.40 H new ATOM 0 HB3 SER A 57 9.641 13.484 6.685 1.00 0.40 H new ATOM 0 HG SER A 57 8.369 14.948 8.763 1.00 0.99 H new ATOM 832 N SER A 58 10.040 14.902 4.425 1.00 0.28 N ATOM 833 CA SER A 58 10.135 14.985 2.980 1.00 0.30 C ATOM 834 C SER A 58 9.684 13.656 2.396 1.00 0.27 C ATOM 835 O SER A 58 9.252 12.787 3.133 1.00 0.38 O ATOM 836 CB SER A 58 11.580 15.303 2.576 1.00 0.38 C ATOM 837 OG SER A 58 11.692 15.603 1.191 1.00 1.28 O ATOM 0 H SER A 58 10.506 14.092 4.834 1.00 0.28 H new ATOM 0 HA SER A 58 9.497 15.781 2.597 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.942 16.149 3.161 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.219 14.453 2.816 1.00 0.38 H new ATOM 0 HG SER A 58 12.627 15.802 0.974 1.00 1.28 H new ATOM 843 N ARG A 59 9.746 13.504 1.091 1.00 0.32 N ATOM 844 CA ARG A 59 9.497 12.213 0.472 1.00 0.30 C ATOM 845 C ARG A 59 10.609 11.898 -0.511 1.00 0.27 C ATOM 846 O ARG A 59 10.855 12.671 -1.438 1.00 0.34 O ATOM 847 CB ARG A 59 8.149 12.191 -0.244 1.00 0.42 C ATOM 848 CG ARG A 59 7.032 12.803 0.574 1.00 0.64 C ATOM 849 CD ARG A 59 5.664 12.400 0.055 1.00 0.68 C ATOM 850 NE ARG A 59 5.459 12.814 -1.337 1.00 1.41 N ATOM 851 CZ ARG A 59 4.402 13.507 -1.756 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.481 13.915 -0.890 1.00 1.78 N ATOM 853 NH2 ARG A 59 4.285 13.843 -3.035 1.00 2.81 N ATOM 0 H ARG A 59 9.966 14.254 0.436 1.00 0.32 H new ATOM 0 HA ARG A 59 9.473 11.457 1.256 1.00 0.30 H new ATOM 0 HB2 ARG A 59 8.237 12.729 -1.188 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.890 11.160 -0.487 1.00 0.42 H new ATOM 0 HG2 ARG A 59 7.132 12.492 1.614 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.122 13.889 0.556 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.552 11.319 0.132 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.893 12.846 0.683 1.00 0.68 H new ATOM 0 HE ARG A 59 6.167 12.556 -2.024 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.581 13.698 0.102 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.673 14.446 -1.217 1.00 1.78 H new ATOM 0 HH21 ARG A 59 5.007 13.570 -3.702 1.00 2.81 H new ATOM 0 HH22 ARG A 59 3.473 14.374 -3.351 1.00 2.81 H new ATOM 867 N PRO A 60 11.318 10.784 -0.292 1.00 0.23 N ATOM 868 CA PRO A 60 12.414 10.345 -1.161 1.00 0.26 C ATOM 869 C PRO A 60 12.032 10.297 -2.636 1.00 0.26 C ATOM 870 O PRO A 60 10.946 9.846 -2.999 1.00 0.28 O ATOM 871 CB PRO A 60 12.743 8.931 -0.660 1.00 0.30 C ATOM 872 CG PRO A 60 11.636 8.570 0.271 1.00 0.28 C ATOM 873 CD PRO A 60 11.129 9.863 0.834 1.00 0.21 C ATOM 0 HA PRO A 60 13.251 11.042 -1.109 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.804 8.226 -1.489 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.707 8.909 -0.151 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.844 8.036 -0.254 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.992 7.913 1.064 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.083 9.795 1.134 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.693 10.174 1.714 1.00 0.21 H new ATOM 881 N VAL A 61 12.942 10.758 -3.477 1.00 0.29 N ATOM 882 CA VAL A 61 12.730 10.740 -4.915 1.00 0.31 C ATOM 883 C VAL A 61 13.256 9.426 -5.483 1.00 0.28 C ATOM 884 O VAL A 61 14.126 8.792 -4.883 1.00 0.27 O ATOM 885 CB VAL A 61 13.447 11.930 -5.598 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.080 12.035 -7.074 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.135 13.233 -4.875 1.00 0.88 C ATOM 0 H VAL A 61 13.838 11.151 -3.188 1.00 0.29 H new ATOM 0 HA VAL A 61 11.662 10.830 -5.112 1.00 0.31 H new ATOM 0 HB VAL A 61 14.520 11.746 -5.537 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.602 12.882 -7.519 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.371 11.118 -7.587 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.004 12.180 -7.172 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.649 14.056 -5.371 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.060 13.412 -4.895 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.473 13.165 -3.841 1.00 0.88 H new ATOM 897 N LYS A 62 12.723 9.005 -6.617 1.00 0.27 N ATOM 898 CA LYS A 62 13.163 7.769 -7.242 1.00 0.27 C ATOM 899 C LYS A 62 14.596 7.884 -7.727 1.00 0.25 C ATOM 900 O LYS A 62 14.892 8.584 -8.694 1.00 0.31 O ATOM 901 CB LYS A 62 12.230 7.348 -8.371 1.00 0.30 C ATOM 902 CG LYS A 62 10.856 6.940 -7.872 1.00 0.37 C ATOM 903 CD LYS A 62 10.209 5.941 -8.802 1.00 0.41 C ATOM 904 CE LYS A 62 8.916 5.401 -8.218 1.00 0.60 C ATOM 905 NZ LYS A 62 8.472 4.158 -8.901 1.00 1.17 N ATOM 0 H LYS A 62 11.987 9.499 -7.123 1.00 0.27 H new ATOM 0 HA LYS A 62 13.128 6.987 -6.484 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.126 8.172 -9.077 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.677 6.516 -8.915 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.942 6.509 -6.875 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.222 7.822 -7.784 1.00 0.37 H new ATOM 0 HD2 LYS A 62 10.007 6.414 -9.763 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.898 5.117 -8.990 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.054 5.201 -7.155 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.137 6.158 -8.301 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.512 4.293 -9.277 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 9.123 3.940 -9.682 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.470 3.370 -8.222 1.00 1.17 H new ATOM 919 N GLY A 63 15.471 7.186 -7.020 1.00 0.25 N ATOM 920 CA GLY A 63 16.887 7.266 -7.261 1.00 0.27 C ATOM 921 C GLY A 63 17.640 7.255 -5.957 1.00 0.30 C ATOM 922 O GLY A 63 18.786 6.808 -5.884 1.00 0.42 O ATOM 0 H GLY A 63 15.211 6.551 -6.265 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.205 6.427 -7.880 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.118 8.176 -7.815 1.00 0.27 H new ATOM 926 N GLN A 64 16.995 7.751 -4.911 1.00 0.26 N ATOM 927 CA GLN A 64 17.607 7.731 -3.594 1.00 0.28 C ATOM 928 C GLN A 64 17.524 6.325 -3.037 1.00 0.24 C ATOM 929 O GLN A 64 16.502 5.651 -3.204 1.00 0.24 O ATOM 930 CB GLN A 64 16.921 8.695 -2.611 1.00 0.30 C ATOM 931 CG GLN A 64 16.296 9.942 -3.223 1.00 0.36 C ATOM 932 CD GLN A 64 17.270 10.885 -3.919 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.298 10.353 -4.562 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.073 12.097 -3.909 1.00 0.43 N flip ATOM 0 H GLN A 64 16.064 8.165 -4.948 1.00 0.26 H new ATOM 0 HA GLN A 64 18.642 8.054 -3.706 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.143 8.147 -2.079 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.655 9.008 -1.868 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.539 9.633 -3.943 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.781 10.494 -2.436 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.273 12.479 -3.405 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.710 12.721 -4.404 1.00 0.43 H new ATOM 943 N VAL A 65 18.586 5.866 -2.402 1.00 0.28 N ATOM 944 CA VAL A 65 18.513 4.604 -1.707 1.00 0.31 C ATOM 945 C VAL A 65 18.032 4.875 -0.289 1.00 0.25 C ATOM 946 O VAL A 65 18.518 5.778 0.396 1.00 0.32 O ATOM 947 CB VAL A 65 19.842 3.800 -1.718 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.436 3.774 -3.120 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.846 4.332 -0.711 1.00 1.05 C ATOM 0 H VAL A 65 19.489 6.339 -2.355 1.00 0.28 H new ATOM 0 HA VAL A 65 17.807 3.964 -2.237 1.00 0.31 H new ATOM 0 HB VAL A 65 19.607 2.779 -1.418 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.367 3.207 -3.110 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.731 3.303 -3.805 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.636 4.794 -3.449 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.758 3.737 -0.757 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.079 5.371 -0.943 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.423 4.270 0.292 1.00 1.05 H new ATOM 959 N VAL A 66 17.026 4.143 0.112 1.00 0.19 N ATOM 960 CA VAL A 66 16.342 4.407 1.359 1.00 0.15 C ATOM 961 C VAL A 66 16.306 3.170 2.229 1.00 0.16 C ATOM 962 O VAL A 66 16.265 2.048 1.722 1.00 0.21 O ATOM 963 CB VAL A 66 14.903 4.903 1.100 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.902 6.172 0.262 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.081 3.839 0.398 1.00 0.25 C ATOM 0 H VAL A 66 16.656 3.349 -0.411 1.00 0.19 H new ATOM 0 HA VAL A 66 16.897 5.187 1.881 1.00 0.15 H new ATOM 0 HB VAL A 66 14.456 5.119 2.071 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.875 6.498 0.096 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.450 6.955 0.786 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.380 5.975 -0.698 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.072 4.213 0.227 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.544 3.593 -0.558 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.036 2.945 1.020 1.00 0.25 H new ATOM 975 N THR A 67 16.340 3.378 3.530 1.00 0.13 N ATOM 976 CA THR A 67 16.269 2.287 4.473 1.00 0.15 C ATOM 977 C THR A 67 14.845 2.107 4.948 1.00 0.16 C ATOM 978 O THR A 67 14.285 2.976 5.625 1.00 0.21 O ATOM 979 CB THR A 67 17.168 2.530 5.698 1.00 0.20 C ATOM 980 OG1 THR A 67 16.912 3.823 6.246 1.00 0.29 O ATOM 981 CG2 THR A 67 18.634 2.419 5.337 1.00 0.27 C ATOM 0 H THR A 67 16.417 4.301 3.958 1.00 0.13 H new ATOM 0 HA THR A 67 16.617 1.392 3.958 1.00 0.15 H new ATOM 0 HB THR A 67 16.935 1.764 6.437 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.948 3.936 6.380 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.242 2.596 6.224 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.839 1.421 4.950 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.878 3.160 4.576 1.00 0.27 H new ATOM 989 N VAL A 68 14.251 0.992 4.589 1.00 0.15 N ATOM 990 CA VAL A 68 12.935 0.678 5.082 1.00 0.15 C ATOM 991 C VAL A 68 12.999 -0.484 6.048 1.00 0.15 C ATOM 992 O VAL A 68 13.799 -1.396 5.892 1.00 0.17 O ATOM 993 CB VAL A 68 11.932 0.344 3.953 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.658 1.572 3.097 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.443 -0.801 3.090 1.00 0.19 C ATOM 0 H VAL A 68 14.655 0.295 3.963 1.00 0.15 H new ATOM 0 HA VAL A 68 12.575 1.573 5.589 1.00 0.15 H new ATOM 0 HB VAL A 68 10.997 0.029 4.417 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.950 1.316 2.309 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.238 2.363 3.719 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.589 1.919 2.649 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.719 -1.015 2.304 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.395 -0.520 2.639 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.582 -1.688 3.708 1.00 0.19 H new ATOM 1005 N HIS A 69 12.173 -0.434 7.061 1.00 0.14 N ATOM 1006 CA HIS A 69 11.985 -1.577 7.913 1.00 0.15 C ATOM 1007 C HIS A 69 10.678 -2.213 7.519 1.00 0.14 C ATOM 1008 O HIS A 69 9.619 -1.651 7.750 1.00 0.15 O ATOM 1009 CB HIS A 69 11.957 -1.201 9.406 1.00 0.15 C ATOM 1010 CG HIS A 69 11.679 -2.387 10.296 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.137 -2.524 11.585 1.00 0.19 N ATOM 1012 CD2 HIS A 69 10.965 -3.504 10.049 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.706 -3.682 12.070 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.001 -4.285 11.159 1.00 0.18 N ATOM 0 H HIS A 69 11.621 0.385 7.315 1.00 0.14 H new ATOM 0 HA HIS A 69 12.823 -2.262 7.785 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.914 -0.759 9.684 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.194 -0.440 9.571 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.713 -1.847 12.086 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.453 -3.737 9.127 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.908 -4.062 13.061 1.00 0.18 H new ATOM 1023 N LEU A 70 10.749 -3.394 6.953 1.00 0.15 N ATOM 1024 CA LEU A 70 9.544 -4.085 6.559 1.00 0.16 C ATOM 1025 C LEU A 70 9.379 -5.368 7.344 1.00 0.15 C ATOM 1026 O LEU A 70 10.324 -6.109 7.579 1.00 0.21 O ATOM 1027 CB LEU A 70 9.509 -4.402 5.065 1.00 0.21 C ATOM 1028 CG LEU A 70 10.270 -5.655 4.670 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.774 -6.190 3.347 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.763 -5.381 4.581 1.00 0.38 C ATOM 0 H LEU A 70 11.617 -3.892 6.756 1.00 0.15 H new ATOM 0 HA LEU A 70 8.719 -3.407 6.778 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.470 -4.510 4.753 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.920 -3.554 4.517 1.00 0.21 H new ATOM 0 HG LEU A 70 10.095 -6.403 5.444 1.00 0.31 H new ATOM 0 HD11 LEU A 70 10.334 -7.088 3.085 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.715 -6.434 3.427 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.915 -5.435 2.573 1.00 0.39 H new ATOM 0 HD21 LEU A 70 12.284 -6.295 4.296 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.947 -4.610 3.833 1.00 0.38 H new ATOM 0 HD23 LEU A 70 12.129 -5.041 5.550 1.00 0.38 H new ATOM 1042 N GLN A 71 8.171 -5.583 7.772 1.00 0.13 N ATOM 1043 CA GLN A 71 7.745 -6.844 8.340 1.00 0.14 C ATOM 1044 C GLN A 71 6.420 -7.141 7.717 1.00 0.14 C ATOM 1045 O GLN A 71 5.456 -6.386 7.880 1.00 0.14 O ATOM 1046 CB GLN A 71 7.595 -6.818 9.858 1.00 0.15 C ATOM 1047 CG GLN A 71 8.487 -5.821 10.564 1.00 0.15 C ATOM 1048 CD GLN A 71 7.851 -4.465 10.720 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.922 -4.152 9.855 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.175 -3.718 11.642 1.00 0.18 N flip ATOM 0 H GLN A 71 7.434 -4.879 7.739 1.00 0.13 H new ATOM 0 HA GLN A 71 8.503 -7.601 8.136 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.557 -6.594 10.103 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.806 -7.814 10.248 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.747 -6.209 11.549 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.418 -5.717 10.006 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.905 -4.001 12.295 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.713 -2.815 11.753 1.00 0.18 H new ATOM 1059 N THR A 72 6.389 -8.207 6.988 1.00 0.15 N ATOM 1060 CA THR A 72 5.306 -8.470 6.096 1.00 0.16 C ATOM 1061 C THR A 72 4.451 -9.610 6.589 1.00 0.16 C ATOM 1062 O THR A 72 4.939 -10.714 6.821 1.00 0.17 O ATOM 1063 CB THR A 72 5.867 -8.784 4.712 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.692 -7.699 4.273 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.756 -9.018 3.722 1.00 0.19 C ATOM 0 H THR A 72 7.115 -8.923 6.993 1.00 0.15 H new ATOM 0 HA THR A 72 4.670 -7.586 6.045 1.00 0.16 H new ATOM 0 HB THR A 72 6.463 -9.694 4.776 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.054 -7.902 3.385 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.181 -9.240 2.743 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.146 -9.859 4.052 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.135 -8.125 3.654 1.00 0.19 H new ATOM 1073 N SER A 73 3.178 -9.333 6.745 1.00 0.17 N ATOM 1074 CA SER A 73 2.246 -10.317 7.217 1.00 0.17 C ATOM 1075 C SER A 73 1.409 -10.811 6.055 1.00 0.15 C ATOM 1076 O SER A 73 1.172 -10.085 5.096 1.00 0.26 O ATOM 1077 CB SER A 73 1.338 -9.706 8.287 1.00 0.23 C ATOM 1078 OG SER A 73 1.940 -8.558 8.870 1.00 1.06 O ATOM 0 H SER A 73 2.765 -8.421 6.548 1.00 0.17 H new ATOM 0 HA SER A 73 2.793 -11.153 7.654 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.380 -9.433 7.844 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.132 -10.446 9.061 1.00 0.23 H new ATOM 0 HG SER A 73 1.283 -8.093 9.430 1.00 1.06 H new ATOM 1084 N LEU A 74 0.995 -12.046 6.139 1.00 0.19 N ATOM 1085 CA LEU A 74 0.133 -12.632 5.144 1.00 0.18 C ATOM 1086 C LEU A 74 -1.298 -12.167 5.330 1.00 0.19 C ATOM 1087 O LEU A 74 -1.632 -11.582 6.358 1.00 0.21 O ATOM 1088 CB LEU A 74 0.208 -14.149 5.237 1.00 0.22 C ATOM 1089 CG LEU A 74 1.520 -14.751 4.753 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.333 -16.214 4.379 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.068 -13.949 3.582 1.00 0.72 C ATOM 0 H LEU A 74 1.245 -12.677 6.900 1.00 0.19 H new ATOM 0 HA LEU A 74 0.468 -12.312 4.157 1.00 0.18 H new ATOM 0 HB2 LEU A 74 0.049 -14.444 6.274 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.609 -14.576 4.655 1.00 0.22 H new ATOM 0 HG LEU A 74 2.246 -14.706 5.564 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.282 -16.626 4.036 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.990 -16.771 5.251 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.593 -16.294 3.583 1.00 0.84 H new ATOM 0 HD21 LEU A 74 3.006 -14.390 3.246 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.348 -13.961 2.764 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.243 -12.920 3.896 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.129 -12.417 4.326 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.565 -12.179 4.430 1.00 0.26 C ATOM 1105 C GLU A 75 -4.140 -12.907 5.649 1.00 0.32 C ATOM 1106 O GLU A 75 -5.171 -12.528 6.194 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.263 -12.657 3.154 1.00 0.30 C ATOM 1108 CG GLU A 75 -3.903 -14.083 2.768 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.590 -14.536 1.500 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.332 -13.937 0.431 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.406 -15.476 1.573 1.00 1.14 O ATOM 0 H GLU A 75 -1.831 -12.787 3.424 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.737 -11.110 4.553 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.342 -12.587 3.291 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.001 -11.989 2.333 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -2.823 -14.158 2.638 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.174 -14.755 3.583 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.437 -13.958 6.070 1.00 0.34 N ATOM 1119 CA ASN A 76 -3.820 -14.755 7.229 1.00 0.41 C ATOM 1120 C ASN A 76 -3.343 -14.094 8.523 1.00 0.39 C ATOM 1121 O ASN A 76 -3.730 -14.497 9.619 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.214 -16.164 7.120 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.624 -16.892 5.850 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -4.638 -17.586 5.822 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.826 -16.765 4.794 1.00 1.13 N ATOM 0 H ASN A 76 -2.583 -14.280 5.613 1.00 0.34 H new ATOM 0 HA ASN A 76 -4.908 -14.825 7.251 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.127 -16.089 7.154 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.520 -16.753 7.985 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.048 -17.252 3.926 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -1.992 -16.181 4.852 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.492 -13.083 8.385 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.929 -12.412 9.543 1.00 0.32 C ATOM 1134 C GLY A 77 -0.520 -12.883 9.838 1.00 0.32 C ATOM 1135 O GLY A 77 0.191 -12.284 10.641 1.00 0.51 O ATOM 0 H GLY A 77 -2.180 -12.714 7.486 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.924 -11.335 9.372 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.562 -12.594 10.412 1.00 0.32 H new ATOM 1139 N THR A 78 -0.116 -13.947 9.162 1.00 0.28 N ATOM 1140 CA THR A 78 1.170 -14.581 9.401 1.00 0.28 C ATOM 1141 C THR A 78 2.320 -13.774 8.818 1.00 0.23 C ATOM 1142 O THR A 78 2.468 -13.676 7.604 1.00 0.21 O ATOM 1143 CB THR A 78 1.186 -15.990 8.789 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.022 -16.681 9.137 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.393 -16.783 9.270 1.00 0.39 C ATOM 0 H THR A 78 -0.671 -14.395 8.432 1.00 0.28 H new ATOM 0 HA THR A 78 1.305 -14.638 10.481 1.00 0.28 H new ATOM 0 HB THR A 78 1.253 -15.893 7.705 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.010 -17.579 8.744 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.378 -17.776 8.821 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.307 -16.266 8.979 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.359 -16.875 10.356 1.00 0.39 H new ATOM 1153 N ARG A 79 3.132 -13.193 9.683 1.00 0.24 N ATOM 1154 CA ARG A 79 4.295 -12.443 9.233 1.00 0.22 C ATOM 1155 C ARG A 79 5.377 -13.378 8.730 1.00 0.24 C ATOM 1156 O ARG A 79 5.914 -14.200 9.469 1.00 0.33 O ATOM 1157 CB ARG A 79 4.818 -11.532 10.329 1.00 0.25 C ATOM 1158 CG ARG A 79 3.892 -10.359 10.573 1.00 0.25 C ATOM 1159 CD ARG A 79 4.659 -9.149 11.061 1.00 0.28 C ATOM 1160 NE ARG A 79 3.827 -7.944 11.110 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.228 -6.793 11.656 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.419 -6.721 12.234 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.440 -5.720 11.626 1.00 0.47 N ATOM 0 H ARG A 79 3.011 -13.224 10.695 1.00 0.24 H new ATOM 0 HA ARG A 79 3.987 -11.810 8.401 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.934 -12.102 11.251 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.807 -11.164 10.055 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.364 -10.111 9.652 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.137 -10.635 11.309 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.059 -9.352 12.054 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.511 -8.973 10.404 1.00 0.28 H new ATOM 0 HE ARG A 79 2.892 -7.986 10.706 1.00 0.33 H new ATOM 0 HH11 ARG A 79 6.024 -7.542 12.260 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.731 -5.845 12.653 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.522 -5.773 11.184 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.754 -4.845 12.045 1.00 0.47 H new ATOM 1177 N VAL A 80 5.686 -13.236 7.459 1.00 0.20 N ATOM 1178 CA VAL A 80 6.557 -14.163 6.764 1.00 0.22 C ATOM 1179 C VAL A 80 7.980 -13.641 6.660 1.00 0.21 C ATOM 1180 O VAL A 80 8.897 -14.372 6.282 1.00 0.27 O ATOM 1181 CB VAL A 80 6.018 -14.436 5.357 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.700 -15.173 5.436 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.858 -13.140 4.578 1.00 0.22 C ATOM 0 H VAL A 80 5.340 -12.474 6.876 1.00 0.20 H new ATOM 0 HA VAL A 80 6.576 -15.085 7.346 1.00 0.22 H new ATOM 0 HB VAL A 80 6.738 -15.062 4.829 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.327 -15.361 4.429 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.844 -16.122 5.953 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.977 -14.568 5.983 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.474 -13.359 3.582 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.160 -12.485 5.100 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.825 -12.645 4.493 1.00 0.22 H new ATOM 1193 N GLN A 81 8.151 -12.378 6.996 1.00 0.18 N ATOM 1194 CA GLN A 81 9.441 -11.727 6.890 1.00 0.19 C ATOM 1195 C GLN A 81 9.456 -10.495 7.777 1.00 0.19 C ATOM 1196 O GLN A 81 8.442 -9.802 7.891 1.00 0.26 O ATOM 1197 CB GLN A 81 9.731 -11.352 5.429 1.00 0.23 C ATOM 1198 CG GLN A 81 8.704 -10.421 4.811 1.00 0.23 C ATOM 1199 CD GLN A 81 8.987 -10.132 3.357 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.731 -9.220 3.030 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.369 -10.891 2.468 1.00 0.50 N ATOM 0 H GLN A 81 7.405 -11.778 7.348 1.00 0.18 H new ATOM 0 HA GLN A 81 10.222 -12.411 7.222 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.712 -10.880 5.374 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.782 -12.264 4.835 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.713 -10.866 4.904 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.686 -9.484 5.368 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.755 -11.644 2.779 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.506 -10.724 1.471 1.00 0.50 H new ATOM 1210 N GLU A 82 10.581 -10.246 8.426 1.00 0.24 N ATOM 1211 CA GLU A 82 10.726 -9.078 9.274 1.00 0.24 C ATOM 1212 C GLU A 82 12.153 -8.564 9.196 1.00 0.25 C ATOM 1213 O GLU A 82 13.066 -9.116 9.806 1.00 0.41 O ATOM 1214 CB GLU A 82 10.340 -9.418 10.719 1.00 0.35 C ATOM 1215 CG GLU A 82 10.442 -8.241 11.671 1.00 0.44 C ATOM 1216 CD GLU A 82 9.552 -8.395 12.889 1.00 0.82 C ATOM 1217 OE1 GLU A 82 8.313 -8.337 12.733 1.00 1.34 O ATOM 1218 OE2 GLU A 82 10.082 -8.542 14.009 1.00 1.21 O ATOM 0 H GLU A 82 11.409 -10.840 8.381 1.00 0.24 H new ATOM 0 HA GLU A 82 10.055 -8.293 8.925 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.318 -9.798 10.733 1.00 0.35 H new ATOM 0 HB3 GLU A 82 10.983 -10.221 11.078 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.477 -8.129 11.994 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.172 -7.327 11.142 1.00 0.44 H new ATOM 1225 N GLU A 83 12.321 -7.480 8.460 1.00 0.22 N ATOM 1226 CA GLU A 83 13.635 -6.947 8.161 1.00 0.26 C ATOM 1227 C GLU A 83 13.764 -5.545 8.726 1.00 0.23 C ATOM 1228 O GLU A 83 13.065 -4.628 8.295 1.00 0.24 O ATOM 1229 CB GLU A 83 13.859 -6.909 6.645 1.00 0.39 C ATOM 1230 CG GLU A 83 13.392 -8.158 5.910 1.00 1.20 C ATOM 1231 CD GLU A 83 14.234 -9.386 6.211 1.00 1.73 C ATOM 1232 OE1 GLU A 83 13.958 -10.075 7.214 1.00 2.59 O ATOM 1233 OE2 GLU A 83 15.175 -9.670 5.439 1.00 1.69 O ATOM 0 H GLU A 83 11.552 -6.947 8.054 1.00 0.22 H new ATOM 0 HA GLU A 83 14.386 -7.593 8.617 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.338 -6.044 6.234 1.00 0.39 H new ATOM 0 HB3 GLU A 83 14.922 -6.763 6.450 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.356 -8.363 6.179 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.411 -7.968 4.837 1.00 1.20 H new ATOM 1240 N PRO A 84 14.664 -5.358 9.699 1.00 0.23 N ATOM 1241 CA PRO A 84 14.823 -4.076 10.382 1.00 0.21 C ATOM 1242 C PRO A 84 15.409 -2.996 9.490 1.00 0.19 C ATOM 1243 O PRO A 84 15.340 -1.812 9.821 1.00 0.20 O ATOM 1244 CB PRO A 84 15.771 -4.396 11.540 1.00 0.25 C ATOM 1245 CG PRO A 84 16.531 -5.595 11.089 1.00 0.50 C ATOM 1246 CD PRO A 84 15.587 -6.383 10.222 1.00 0.31 C ATOM 0 HA PRO A 84 13.862 -3.674 10.702 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.438 -3.560 11.748 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.220 -4.599 12.458 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.422 -5.305 10.532 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.866 -6.188 11.940 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.114 -6.896 9.418 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.058 -7.145 10.794 1.00 0.31 H new ATOM 1254 N GLU A 85 15.966 -3.389 8.355 1.00 0.20 N ATOM 1255 CA GLU A 85 16.563 -2.425 7.453 1.00 0.22 C ATOM 1256 C GLU A 85 16.851 -3.026 6.102 1.00 0.24 C ATOM 1257 O GLU A 85 17.668 -3.931 5.956 1.00 0.35 O ATOM 1258 CB GLU A 85 17.836 -1.843 8.058 1.00 0.31 C ATOM 1259 CG GLU A 85 18.425 -0.700 7.259 1.00 0.34 C ATOM 1260 CD GLU A 85 19.372 0.137 8.085 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.884 0.908 8.940 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.600 0.022 7.903 1.00 1.30 O ATOM 0 H GLU A 85 16.016 -4.358 8.042 1.00 0.20 H new ATOM 0 HA GLU A 85 15.840 -1.622 7.309 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.621 -1.495 9.068 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.580 -2.634 8.145 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.954 -1.098 6.393 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.620 -0.070 6.880 1.00 0.34 H new ATOM 1269 N LEU A 86 16.145 -2.499 5.132 1.00 0.23 N ATOM 1270 CA LEU A 86 16.337 -2.816 3.744 1.00 0.24 C ATOM 1271 C LEU A 86 16.602 -1.528 2.979 1.00 0.23 C ATOM 1272 O LEU A 86 15.723 -0.675 2.877 1.00 0.25 O ATOM 1273 CB LEU A 86 15.086 -3.495 3.193 1.00 0.26 C ATOM 1274 CG LEU A 86 15.089 -3.713 1.687 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.176 -4.699 1.285 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.727 -4.190 1.214 1.00 0.38 C ATOM 0 H LEU A 86 15.402 -1.820 5.294 1.00 0.23 H new ATOM 0 HA LEU A 86 17.184 -3.493 3.633 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.967 -4.460 3.685 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.217 -2.893 3.457 1.00 0.26 H new ATOM 0 HG LEU A 86 15.304 -2.759 1.205 1.00 0.33 H new ATOM 0 HD11 LEU A 86 16.159 -4.839 0.204 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.149 -4.310 1.585 1.00 0.38 H new ATOM 0 HD13 LEU A 86 16.000 -5.655 1.777 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.749 -4.340 0.135 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.480 -5.130 1.706 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.974 -3.442 1.461 1.00 0.38 H new ATOM 1288 N VAL A 87 17.811 -1.370 2.476 1.00 0.24 N ATOM 1289 CA VAL A 87 18.149 -0.188 1.701 1.00 0.22 C ATOM 1290 C VAL A 87 18.172 -0.540 0.211 1.00 0.21 C ATOM 1291 O VAL A 87 18.795 -1.521 -0.198 1.00 0.28 O ATOM 1292 CB VAL A 87 19.496 0.425 2.156 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.648 -0.539 1.945 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.759 1.742 1.449 1.00 0.94 C ATOM 0 H VAL A 87 18.572 -2.039 2.588 1.00 0.24 H new ATOM 0 HA VAL A 87 17.385 0.570 1.872 1.00 0.22 H new ATOM 0 HB VAL A 87 19.421 0.620 3.226 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.577 -0.074 2.276 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.472 -1.448 2.521 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.724 -0.789 0.887 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.711 2.152 1.786 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.796 1.576 0.372 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.959 2.445 1.680 1.00 0.94 H new ATOM 1304 N PHE A 88 17.461 0.240 -0.589 1.00 0.17 N ATOM 1305 CA PHE A 88 17.285 -0.079 -2.005 1.00 0.19 C ATOM 1306 C PHE A 88 17.149 1.179 -2.853 1.00 0.20 C ATOM 1307 O PHE A 88 16.823 2.253 -2.342 1.00 0.23 O ATOM 1308 CB PHE A 88 16.052 -0.957 -2.178 1.00 0.21 C ATOM 1309 CG PHE A 88 14.759 -0.263 -1.875 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.281 -0.199 -0.580 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.020 0.315 -2.893 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.088 0.429 -0.301 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.824 0.943 -2.624 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.354 1.001 -1.329 1.00 0.15 C ATOM 0 H PHE A 88 16.996 1.096 -0.287 1.00 0.17 H new ATOM 0 HA PHE A 88 18.173 -0.613 -2.345 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.023 -1.325 -3.203 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.145 -1.828 -1.529 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.849 -0.646 0.222 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.385 0.273 -3.909 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.725 0.476 0.715 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.255 1.389 -3.426 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.416 1.491 -1.116 1.00 0.15 H new ATOM 1324 N THR A 89 17.402 1.023 -4.144 1.00 0.23 N ATOM 1325 CA THR A 89 17.277 2.111 -5.101 1.00 0.25 C ATOM 1326 C THR A 89 15.808 2.341 -5.464 1.00 0.21 C ATOM 1327 O THR A 89 15.187 1.509 -6.132 1.00 0.22 O ATOM 1328 CB THR A 89 18.071 1.798 -6.384 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.277 1.092 -6.052 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.422 3.078 -7.129 1.00 0.37 C ATOM 0 H THR A 89 17.700 0.139 -4.557 1.00 0.23 H new ATOM 0 HA THR A 89 17.680 3.012 -4.638 1.00 0.25 H new ATOM 0 HB THR A 89 17.448 1.178 -7.029 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.067 0.151 -5.874 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.982 2.832 -8.031 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.506 3.603 -7.402 1.00 0.37 H new ATOM 0 HG23 THR A 89 19.029 3.717 -6.488 1.00 0.37 H new ATOM 1338 N LEU A 90 15.251 3.449 -4.998 1.00 0.19 N ATOM 1339 CA LEU A 90 13.869 3.797 -5.296 1.00 0.16 C ATOM 1340 C LEU A 90 13.671 3.978 -6.800 1.00 0.15 C ATOM 1341 O LEU A 90 14.419 4.708 -7.443 1.00 0.18 O ATOM 1342 CB LEU A 90 13.495 5.091 -4.579 1.00 0.16 C ATOM 1343 CG LEU A 90 12.001 5.360 -4.467 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.309 4.185 -3.805 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.756 6.645 -3.695 1.00 0.60 C ATOM 0 H LEU A 90 15.737 4.125 -4.409 1.00 0.19 H new ATOM 0 HA LEU A 90 13.228 2.986 -4.950 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.920 5.068 -3.576 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.960 5.926 -5.103 1.00 0.16 H new ATOM 0 HG LEU A 90 11.584 5.481 -5.467 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.241 4.387 -3.730 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.467 3.287 -4.402 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.721 4.035 -2.807 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.684 6.827 -3.622 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.178 6.554 -2.694 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.230 7.478 -4.215 1.00 0.60 H new ATOM 1357 N GLY A 91 12.685 3.299 -7.358 1.00 0.20 N ATOM 1358 CA GLY A 91 12.362 3.475 -8.760 1.00 0.23 C ATOM 1359 C GLY A 91 13.226 2.632 -9.667 1.00 0.26 C ATOM 1360 O GLY A 91 13.230 2.818 -10.884 1.00 0.37 O ATOM 0 H GLY A 91 12.098 2.626 -6.865 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.315 3.220 -8.922 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.479 4.525 -9.027 1.00 0.23 H new ATOM 1364 N ASP A 92 13.958 1.703 -9.078 1.00 0.27 N ATOM 1365 CA ASP A 92 14.813 0.820 -9.857 1.00 0.32 C ATOM 1366 C ASP A 92 14.321 -0.605 -9.730 1.00 0.30 C ATOM 1367 O ASP A 92 14.971 -1.552 -10.185 1.00 0.37 O ATOM 1368 CB ASP A 92 16.281 0.943 -9.410 1.00 0.42 C ATOM 1369 CG ASP A 92 17.249 0.191 -10.314 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.402 0.588 -11.494 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.843 -0.812 -9.857 1.00 0.82 O ATOM 0 H ASP A 92 13.979 1.540 -8.071 1.00 0.27 H new ATOM 0 HA ASP A 92 14.766 1.114 -10.905 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.560 1.996 -9.387 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.377 0.565 -8.392 1.00 0.42 H new ATOM 1376 N CYS A 93 13.137 -0.745 -9.140 1.00 0.28 N ATOM 1377 CA CYS A 93 12.572 -2.055 -8.861 1.00 0.27 C ATOM 1378 C CYS A 93 13.566 -2.873 -8.059 1.00 0.26 C ATOM 1379 O CYS A 93 13.719 -4.077 -8.265 1.00 0.31 O ATOM 1380 CB CYS A 93 12.212 -2.780 -10.157 1.00 0.38 C ATOM 1381 SG CYS A 93 11.145 -1.825 -11.261 1.00 0.62 S ATOM 0 H CYS A 93 12.552 0.037 -8.847 1.00 0.28 H new ATOM 0 HA CYS A 93 11.657 -1.928 -8.282 1.00 0.27 H new ATOM 0 HB2 CYS A 93 13.130 -3.034 -10.686 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.716 -3.719 -9.911 1.00 0.38 H new ATOM 0 HG CYS A 93 10.896 -2.519 -12.332 1.00 0.62 H new ATOM 1387 N ASP A 94 14.241 -2.199 -7.127 1.00 0.27 N ATOM 1388 CA ASP A 94 15.222 -2.846 -6.283 1.00 0.33 C ATOM 1389 C ASP A 94 14.483 -3.762 -5.315 1.00 0.33 C ATOM 1390 O ASP A 94 15.061 -4.627 -4.657 1.00 0.48 O ATOM 1391 CB ASP A 94 16.013 -1.781 -5.521 1.00 0.41 C ATOM 1392 CG ASP A 94 17.408 -2.220 -5.114 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.566 -3.409 -4.752 1.00 0.96 O ATOM 1394 OD2 ASP A 94 18.346 -1.398 -5.151 1.00 1.33 O ATOM 0 H ASP A 94 14.119 -1.203 -6.944 1.00 0.27 H new ATOM 0 HA ASP A 94 15.921 -3.433 -6.878 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.091 -0.888 -6.141 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.456 -1.500 -4.627 1.00 0.41 H new ATOM 1399 N VAL A 95 13.172 -3.557 -5.280 1.00 0.23 N ATOM 1400 CA VAL A 95 12.278 -4.242 -4.365 1.00 0.21 C ATOM 1401 C VAL A 95 11.006 -4.669 -5.080 1.00 0.20 C ATOM 1402 O VAL A 95 10.971 -4.748 -6.306 1.00 0.22 O ATOM 1403 CB VAL A 95 11.885 -3.304 -3.215 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.053 -3.102 -2.282 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.411 -1.968 -3.768 1.00 0.19 C ATOM 0 H VAL A 95 12.696 -2.899 -5.898 1.00 0.23 H new ATOM 0 HA VAL A 95 12.799 -5.119 -3.981 1.00 0.21 H new ATOM 0 HB VAL A 95 11.069 -3.759 -2.654 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.760 -2.435 -1.471 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.359 -4.063 -1.868 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.885 -2.662 -2.831 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.135 -1.310 -2.944 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.213 -1.508 -4.346 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.545 -2.127 -4.411 1.00 0.19 H new ATOM 1415 N ILE A 96 9.960 -4.915 -4.307 1.00 0.19 N ATOM 1416 CA ILE A 96 8.668 -5.211 -4.866 1.00 0.19 C ATOM 1417 C ILE A 96 8.037 -3.901 -5.286 1.00 0.16 C ATOM 1418 O ILE A 96 8.188 -2.887 -4.601 1.00 0.15 O ATOM 1419 CB ILE A 96 7.760 -5.954 -3.864 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.604 -5.150 -2.571 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.330 -7.333 -3.568 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.663 -5.784 -1.567 1.00 0.29 C ATOM 0 H ILE A 96 9.990 -4.913 -3.287 1.00 0.19 H new ATOM 0 HA ILE A 96 8.789 -5.875 -5.722 1.00 0.19 H new ATOM 0 HB ILE A 96 6.773 -6.069 -4.311 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.584 -5.028 -2.110 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.240 -4.152 -2.816 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.682 -7.850 -2.860 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.390 -7.908 -4.492 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.327 -7.230 -3.140 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.604 -5.157 -0.677 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.671 -5.881 -2.009 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.036 -6.770 -1.291 1.00 0.29 H new ATOM 1434 N GLN A 97 7.364 -3.912 -6.413 1.00 0.17 N ATOM 1435 CA GLN A 97 6.836 -2.683 -6.985 1.00 0.17 C ATOM 1436 C GLN A 97 5.864 -2.005 -6.022 1.00 0.16 C ATOM 1437 O GLN A 97 5.770 -0.781 -5.993 1.00 0.16 O ATOM 1438 CB GLN A 97 6.154 -2.937 -8.324 1.00 0.19 C ATOM 1439 CG GLN A 97 6.152 -1.703 -9.205 1.00 0.25 C ATOM 1440 CD GLN A 97 7.499 -1.450 -9.865 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.408 -0.776 -9.166 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.737 -1.889 -10.988 1.00 0.32 N flip ATOM 0 H GLN A 97 7.166 -4.753 -6.955 1.00 0.17 H new ATOM 0 HA GLN A 97 7.682 -2.017 -7.155 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.663 -3.751 -8.841 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.128 -3.261 -8.152 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.389 -1.813 -9.976 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.877 -0.835 -8.606 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.018 -2.402 -11.498 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.654 -1.740 -11.410 1.00 0.32 H new ATOM 1451 N ALA A 98 5.165 -2.807 -5.220 1.00 0.17 N ATOM 1452 CA ALA A 98 4.294 -2.282 -4.172 1.00 0.18 C ATOM 1453 C ALA A 98 5.066 -1.331 -3.266 1.00 0.17 C ATOM 1454 O ALA A 98 4.589 -0.252 -2.920 1.00 0.20 O ATOM 1455 CB ALA A 98 3.726 -3.424 -3.349 1.00 0.20 C ATOM 0 H ALA A 98 5.186 -3.825 -5.277 1.00 0.17 H new ATOM 0 HA ALA A 98 3.477 -1.735 -4.642 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.078 -3.024 -2.570 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.150 -4.087 -3.995 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.542 -3.983 -2.890 1.00 0.20 H new ATOM 1461 N LEU A 99 6.280 -1.733 -2.921 1.00 0.17 N ATOM 1462 CA LEU A 99 7.122 -0.953 -2.025 1.00 0.17 C ATOM 1463 C LEU A 99 7.755 0.214 -2.757 1.00 0.15 C ATOM 1464 O LEU A 99 7.822 1.327 -2.237 1.00 0.15 O ATOM 1465 CB LEU A 99 8.232 -1.805 -1.424 1.00 0.19 C ATOM 1466 CG LEU A 99 9.121 -1.055 -0.424 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.291 -0.497 0.722 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.219 -1.956 0.109 1.00 0.22 C ATOM 0 H LEU A 99 6.706 -2.599 -3.250 1.00 0.17 H new ATOM 0 HA LEU A 99 6.478 -0.584 -1.227 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.786 -2.665 -0.924 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.856 -2.192 -2.230 1.00 0.19 H new ATOM 0 HG LEU A 99 9.588 -0.223 -0.950 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.942 0.031 1.419 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.545 0.193 0.328 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.791 -1.315 1.241 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.835 -1.400 0.816 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.773 -2.814 0.613 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.839 -2.303 -0.718 1.00 0.22 H new ATOM 1480 N ASP A 100 8.199 -0.055 -3.975 1.00 0.15 N ATOM 1481 CA ASP A 100 8.922 0.917 -4.784 1.00 0.16 C ATOM 1482 C ASP A 100 8.054 2.140 -5.032 1.00 0.15 C ATOM 1483 O ASP A 100 8.548 3.255 -5.185 1.00 0.16 O ATOM 1484 CB ASP A 100 9.336 0.257 -6.104 1.00 0.17 C ATOM 1485 CG ASP A 100 10.126 1.172 -7.020 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.494 2.012 -7.693 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.376 1.079 -7.049 1.00 0.21 O ATOM 0 H ASP A 100 8.068 -0.957 -4.433 1.00 0.15 H new ATOM 0 HA ASP A 100 9.818 1.246 -4.257 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.933 -0.628 -5.886 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.442 -0.082 -6.627 1.00 0.17 H new ATOM 1492 N LEU A 101 6.755 1.915 -5.064 1.00 0.16 N ATOM 1493 CA LEU A 101 5.796 2.985 -5.220 1.00 0.16 C ATOM 1494 C LEU A 101 5.355 3.559 -3.870 1.00 0.15 C ATOM 1495 O LEU A 101 5.085 4.755 -3.753 1.00 0.16 O ATOM 1496 CB LEU A 101 4.590 2.455 -5.981 1.00 0.19 C ATOM 1497 CG LEU A 101 4.900 1.828 -7.345 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.627 1.339 -8.012 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.632 2.813 -8.240 1.00 0.25 C ATOM 0 H LEU A 101 6.338 0.988 -4.983 1.00 0.16 H new ATOM 0 HA LEU A 101 6.269 3.795 -5.775 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.089 1.710 -5.362 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.885 3.273 -6.128 1.00 0.19 H new ATOM 0 HG LEU A 101 5.552 0.970 -7.183 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.869 0.898 -8.979 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.150 0.590 -7.380 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.947 2.178 -8.157 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.841 2.345 -9.202 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.012 3.696 -8.393 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.570 3.106 -7.768 1.00 0.25 H new ATOM 1511 N SER A 102 5.292 2.705 -2.853 1.00 0.15 N ATOM 1512 CA SER A 102 4.789 3.099 -1.548 1.00 0.17 C ATOM 1513 C SER A 102 5.713 4.117 -0.895 1.00 0.15 C ATOM 1514 O SER A 102 5.260 5.010 -0.184 1.00 0.18 O ATOM 1515 CB SER A 102 4.649 1.874 -0.642 1.00 0.23 C ATOM 1516 OG SER A 102 4.234 2.241 0.664 1.00 1.01 O ATOM 0 H SER A 102 5.586 1.730 -2.912 1.00 0.15 H new ATOM 0 HA SER A 102 3.810 3.557 -1.688 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.927 1.181 -1.074 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.602 1.348 -0.588 1.00 0.23 H new ATOM 0 HG SER A 102 4.910 1.957 1.314 1.00 1.01 H new ATOM 1522 N VAL A 103 7.003 3.973 -1.148 1.00 0.15 N ATOM 1523 CA VAL A 103 8.008 4.832 -0.536 1.00 0.16 C ATOM 1524 C VAL A 103 7.872 6.298 -0.957 1.00 0.16 C ATOM 1525 O VAL A 103 7.762 7.163 -0.101 1.00 0.18 O ATOM 1526 CB VAL A 103 9.418 4.330 -0.855 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.480 5.342 -0.434 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.659 3.003 -0.168 1.00 0.19 C ATOM 0 H VAL A 103 7.383 3.265 -1.777 1.00 0.15 H new ATOM 0 HA VAL A 103 7.838 4.785 0.540 1.00 0.16 H new ATOM 0 HB VAL A 103 9.494 4.198 -1.934 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.469 4.953 -0.675 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.319 6.280 -0.965 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.411 5.517 0.640 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.664 2.651 -0.399 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.557 3.128 0.910 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.929 2.273 -0.520 1.00 0.19 H new ATOM 1538 N PRO A 104 7.886 6.608 -2.269 1.00 0.17 N ATOM 1539 CA PRO A 104 7.663 7.976 -2.744 1.00 0.21 C ATOM 1540 C PRO A 104 6.270 8.491 -2.378 1.00 0.19 C ATOM 1541 O PRO A 104 6.037 9.700 -2.324 1.00 0.22 O ATOM 1542 CB PRO A 104 7.828 7.871 -4.265 1.00 0.27 C ATOM 1543 CG PRO A 104 7.676 6.422 -4.576 1.00 0.21 C ATOM 1544 CD PRO A 104 8.179 5.690 -3.377 1.00 0.17 C ATOM 0 HA PRO A 104 8.355 8.684 -2.288 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.077 8.466 -4.784 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.803 8.241 -4.582 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.634 6.173 -4.777 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.245 6.152 -5.465 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.674 4.733 -3.250 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.246 5.480 -3.453 1.00 0.17 H new ATOM 1552 N LEU A 105 5.348 7.564 -2.137 1.00 0.18 N ATOM 1553 CA LEU A 105 4.021 7.915 -1.647 1.00 0.19 C ATOM 1554 C LEU A 105 4.039 8.186 -0.144 1.00 0.22 C ATOM 1555 O LEU A 105 3.094 8.748 0.412 1.00 0.32 O ATOM 1556 CB LEU A 105 3.036 6.787 -1.940 1.00 0.18 C ATOM 1557 CG LEU A 105 2.540 6.700 -3.384 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.323 5.801 -3.467 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.220 8.081 -3.937 1.00 0.64 C ATOM 0 H LEU A 105 5.496 6.564 -2.273 1.00 0.18 H new ATOM 0 HA LEU A 105 3.708 8.823 -2.163 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.508 5.840 -1.680 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.173 6.904 -1.285 1.00 0.18 H new ATOM 0 HG LEU A 105 3.336 6.271 -3.992 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.980 5.748 -4.500 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.585 4.802 -3.119 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.528 6.206 -2.841 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.870 7.989 -4.965 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.443 8.545 -3.329 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.117 8.699 -3.913 1.00 0.64 H new ATOM 1571 N MET A 106 5.093 7.742 0.513 1.00 0.20 N ATOM 1572 CA MET A 106 5.235 7.906 1.946 1.00 0.24 C ATOM 1573 C MET A 106 6.242 9.016 2.284 1.00 0.21 C ATOM 1574 O MET A 106 7.091 9.370 1.464 1.00 0.26 O ATOM 1575 CB MET A 106 5.653 6.560 2.552 1.00 0.33 C ATOM 1576 CG MET A 106 7.099 6.486 2.992 1.00 0.53 C ATOM 1577 SD MET A 106 7.675 4.785 3.204 1.00 0.78 S ATOM 1578 CE MET A 106 6.553 4.196 4.466 1.00 0.54 C ATOM 0 H MET A 106 5.874 7.258 0.069 1.00 0.20 H new ATOM 0 HA MET A 106 4.282 8.214 2.375 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.015 6.350 3.410 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.470 5.774 1.819 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.725 6.989 2.255 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.217 7.025 3.932 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.122 3.888 5.343 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.865 4.995 4.742 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.988 3.346 4.083 1.00 0.54 H new ATOM 1588 N ASP A 107 6.124 9.576 3.481 1.00 0.18 N ATOM 1589 CA ASP A 107 7.024 10.640 3.923 1.00 0.18 C ATOM 1590 C ASP A 107 8.192 10.075 4.730 1.00 0.14 C ATOM 1591 O ASP A 107 8.097 8.990 5.311 1.00 0.13 O ATOM 1592 CB ASP A 107 6.275 11.683 4.764 1.00 0.25 C ATOM 1593 CG ASP A 107 5.363 12.578 3.941 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.172 12.230 3.760 1.00 0.92 O ATOM 1595 OD2 ASP A 107 5.823 13.650 3.485 1.00 0.97 O ATOM 0 H ASP A 107 5.415 9.313 4.165 1.00 0.18 H new ATOM 0 HA ASP A 107 7.416 11.123 3.028 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.682 11.171 5.522 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.000 12.302 5.292 1.00 0.25 H new ATOM 1600 N VAL A 108 9.300 10.806 4.747 1.00 0.16 N ATOM 1601 CA VAL A 108 10.468 10.412 5.522 1.00 0.16 C ATOM 1602 C VAL A 108 10.123 10.339 6.999 1.00 0.15 C ATOM 1603 O VAL A 108 9.628 11.291 7.590 1.00 0.19 O ATOM 1604 CB VAL A 108 11.645 11.401 5.346 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.888 10.903 6.067 1.00 0.68 C ATOM 1606 CG2 VAL A 108 11.947 11.634 3.880 1.00 0.80 C ATOM 0 H VAL A 108 9.413 11.678 4.230 1.00 0.16 H new ATOM 0 HA VAL A 108 10.773 9.434 5.151 1.00 0.16 H new ATOM 0 HB VAL A 108 11.346 12.351 5.790 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.700 11.616 5.927 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.675 10.800 7.131 1.00 0.68 H new ATOM 0 HG13 VAL A 108 13.181 9.935 5.660 1.00 0.68 H new ATOM 0 HG21 VAL A 108 12.778 12.333 3.786 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.213 10.688 3.409 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.067 12.049 3.389 1.00 0.80 H new ATOM 1616 N GLY A 109 10.392 9.198 7.577 1.00 0.15 N ATOM 1617 CA GLY A 109 10.199 9.015 8.997 1.00 0.17 C ATOM 1618 C GLY A 109 8.823 8.481 9.329 1.00 0.18 C ATOM 1619 O GLY A 109 8.403 8.521 10.488 1.00 0.28 O ATOM 0 H GLY A 109 10.747 8.377 7.087 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.954 8.327 9.378 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.349 9.967 9.507 1.00 0.17 H new ATOM 1623 N GLU A 110 8.116 7.977 8.324 1.00 0.13 N ATOM 1624 CA GLU A 110 6.787 7.449 8.550 1.00 0.13 C ATOM 1625 C GLU A 110 6.796 5.933 8.613 1.00 0.10 C ATOM 1626 O GLU A 110 7.799 5.282 8.297 1.00 0.12 O ATOM 1627 CB GLU A 110 5.795 7.914 7.481 1.00 0.17 C ATOM 1628 CG GLU A 110 5.799 7.122 6.186 1.00 0.20 C ATOM 1629 CD GLU A 110 4.522 7.334 5.377 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.202 8.497 5.042 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.822 6.347 5.084 1.00 0.39 O ATOM 0 H GLU A 110 8.440 7.925 7.358 1.00 0.13 H new ATOM 0 HA GLU A 110 6.460 7.841 9.513 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.791 7.878 7.904 1.00 0.17 H new ATOM 0 HB3 GLU A 110 6.005 8.958 7.247 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.660 7.415 5.586 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.913 6.062 6.411 1.00 0.20 H new ATOM 1638 N THR A 111 5.683 5.377 9.054 1.00 0.10 N ATOM 1639 CA THR A 111 5.496 3.953 9.043 1.00 0.11 C ATOM 1640 C THR A 111 4.154 3.661 8.409 1.00 0.11 C ATOM 1641 O THR A 111 3.113 4.109 8.896 1.00 0.12 O ATOM 1642 CB THR A 111 5.562 3.362 10.464 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.697 3.900 11.163 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.678 1.847 10.415 1.00 0.19 C ATOM 0 H THR A 111 4.892 5.903 9.426 1.00 0.10 H new ATOM 0 HA THR A 111 6.298 3.487 8.469 1.00 0.11 H new ATOM 0 HB THR A 111 4.643 3.628 10.987 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.734 3.522 12.067 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.723 1.453 11.430 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.810 1.432 9.903 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.584 1.569 9.877 1.00 0.19 H new ATOM 1652 N ALA A 112 4.178 2.968 7.294 1.00 0.12 N ATOM 1653 CA ALA A 112 2.965 2.680 6.576 1.00 0.13 C ATOM 1654 C ALA A 112 2.773 1.192 6.432 1.00 0.12 C ATOM 1655 O ALA A 112 3.710 0.459 6.129 1.00 0.13 O ATOM 1656 CB ALA A 112 2.988 3.343 5.210 1.00 0.18 C ATOM 0 H ALA A 112 5.026 2.595 6.867 1.00 0.12 H new ATOM 0 HA ALA A 112 2.127 3.082 7.145 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.063 3.115 4.680 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.081 4.422 5.331 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.836 2.968 4.638 1.00 0.18 H new ATOM 1662 N MET A 113 1.559 0.748 6.655 1.00 0.12 N ATOM 1663 CA MET A 113 1.224 -0.634 6.419 1.00 0.12 C ATOM 1664 C MET A 113 0.536 -0.712 5.081 1.00 0.12 C ATOM 1665 O MET A 113 -0.518 -0.120 4.883 1.00 0.14 O ATOM 1666 CB MET A 113 0.336 -1.196 7.533 1.00 0.16 C ATOM 1667 CG MET A 113 -0.339 -2.502 7.154 1.00 0.25 C ATOM 1668 SD MET A 113 -1.272 -3.237 8.508 1.00 0.53 S ATOM 1669 CE MET A 113 0.064 -3.856 9.526 1.00 1.32 C ATOM 0 H MET A 113 0.789 1.323 6.999 1.00 0.12 H new ATOM 0 HA MET A 113 2.129 -1.242 6.416 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.940 -1.352 8.427 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.427 -0.460 7.788 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.009 -2.326 6.313 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.418 -3.210 6.816 1.00 0.25 H new ATOM 0 HE1 MET A 113 -0.337 -4.534 10.279 1.00 1.32 H new ATOM 0 HE2 MET A 113 0.780 -4.390 8.901 1.00 1.32 H new ATOM 0 HE3 MET A 113 0.563 -3.021 10.018 1.00 1.32 H new ATOM 1679 N VAL A 114 1.148 -1.412 4.160 1.00 0.12 N ATOM 1680 CA VAL A 114 0.649 -1.479 2.813 1.00 0.12 C ATOM 1681 C VAL A 114 0.203 -2.883 2.528 1.00 0.13 C ATOM 1682 O VAL A 114 0.954 -3.831 2.751 1.00 0.16 O ATOM 1683 CB VAL A 114 1.740 -1.098 1.802 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.155 -0.761 0.440 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.573 0.041 2.341 1.00 0.17 C ATOM 0 H VAL A 114 2.001 -1.948 4.322 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.181 -0.779 2.717 1.00 0.12 H new ATOM 0 HB VAL A 114 2.387 -1.964 1.660 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.960 -0.497 -0.246 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.616 -1.625 0.052 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.470 0.081 0.537 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.344 0.303 1.616 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.934 0.906 2.520 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.043 -0.263 3.276 1.00 0.17 H new ATOM 1695 N THR A 115 -1.007 -3.037 2.060 1.00 0.14 N ATOM 1696 CA THR A 115 -1.445 -4.334 1.673 1.00 0.14 C ATOM 1697 C THR A 115 -1.509 -4.400 0.170 1.00 0.13 C ATOM 1698 O THR A 115 -2.274 -3.685 -0.477 1.00 0.16 O ATOM 1699 CB THR A 115 -2.778 -4.733 2.312 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.689 -4.596 3.730 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.087 -6.166 1.986 1.00 0.20 C ATOM 0 H THR A 115 -1.690 -2.289 1.942 1.00 0.14 H new ATOM 0 HA THR A 115 -0.721 -5.060 2.042 1.00 0.14 H new ATOM 0 HB THR A 115 -3.565 -4.086 1.924 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.406 -4.008 4.048 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.036 -6.446 2.442 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.154 -6.287 0.905 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.295 -6.806 2.374 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.647 -5.230 -0.358 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.491 -5.404 -1.781 1.00 0.13 C ATOM 1711 C ALA A 116 -0.723 -6.848 -2.151 1.00 0.12 C ATOM 1712 O ALA A 116 -0.260 -7.750 -1.454 1.00 0.13 O ATOM 1713 CB ALA A 116 0.898 -4.974 -2.209 1.00 0.15 C ATOM 0 H ALA A 116 -0.022 -5.815 0.198 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.225 -4.784 -2.296 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.005 -5.109 -3.285 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.047 -3.924 -1.959 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.642 -5.579 -1.691 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.461 -7.066 -3.225 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.615 -8.403 -3.767 1.00 0.13 C ATOM 1721 C ASP A 117 -0.238 -8.999 -3.997 1.00 0.11 C ATOM 1722 O ASP A 117 0.715 -8.272 -4.295 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.379 -8.377 -5.087 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.782 -9.767 -5.569 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.892 -10.569 -5.915 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.996 -10.074 -5.579 1.00 0.58 O ATOM 0 H ASP A 117 -1.960 -6.338 -3.736 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.181 -9.006 -3.057 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.274 -7.765 -4.971 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.762 -7.899 -5.848 1.00 0.16 H new ATOM 1731 N SER A 118 -0.137 -10.308 -3.876 1.00 0.13 N ATOM 1732 CA SER A 118 1.124 -11.003 -4.052 1.00 0.16 C ATOM 1733 C SER A 118 1.736 -10.668 -5.412 1.00 0.13 C ATOM 1734 O SER A 118 2.946 -10.683 -5.584 1.00 0.15 O ATOM 1735 CB SER A 118 0.892 -12.502 -3.931 1.00 0.27 C ATOM 1736 OG SER A 118 2.061 -13.174 -3.504 1.00 0.82 O ATOM 0 H SER A 118 -0.923 -10.918 -3.654 1.00 0.13 H new ATOM 0 HA SER A 118 1.822 -10.681 -3.279 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.084 -12.690 -3.224 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.573 -12.901 -4.894 1.00 0.27 H new ATOM 0 HG SER A 118 1.876 -14.133 -3.422 1.00 0.82 H new ATOM 1742 N LYS A 119 0.891 -10.335 -6.366 1.00 0.13 N ATOM 1743 CA LYS A 119 1.338 -9.913 -7.685 1.00 0.14 C ATOM 1744 C LYS A 119 2.333 -8.747 -7.596 1.00 0.14 C ATOM 1745 O LYS A 119 3.287 -8.687 -8.370 1.00 0.18 O ATOM 1746 CB LYS A 119 0.134 -9.507 -8.523 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.740 -8.485 -7.839 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.822 -7.952 -8.754 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.864 -9.004 -9.068 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.778 -8.552 -10.152 1.00 0.81 N ATOM 0 H LYS A 119 -0.123 -10.348 -6.253 1.00 0.13 H new ATOM 0 HA LYS A 119 1.851 -10.751 -8.156 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.480 -9.103 -9.475 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.460 -10.392 -8.749 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.200 -8.934 -6.959 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.123 -7.658 -7.489 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.303 -7.093 -8.286 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.372 -7.599 -9.682 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.371 -9.929 -9.367 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.442 -9.226 -8.171 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.481 -9.294 -10.345 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.265 -7.682 -9.855 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.228 -8.364 -11.014 1.00 0.81 H new ATOM 1764 N TYR A 120 2.130 -7.839 -6.635 1.00 0.13 N ATOM 1765 CA TYR A 120 3.059 -6.728 -6.434 1.00 0.15 C ATOM 1766 C TYR A 120 4.061 -7.070 -5.350 1.00 0.15 C ATOM 1767 O TYR A 120 4.901 -6.250 -4.978 1.00 0.19 O ATOM 1768 CB TYR A 120 2.317 -5.445 -6.056 1.00 0.16 C ATOM 1769 CG TYR A 120 1.377 -4.959 -7.119 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.836 -4.163 -8.150 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.032 -5.288 -7.084 1.00 0.23 C ATOM 1772 CE1 TYR A 120 0.984 -3.702 -9.125 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.833 -4.832 -8.059 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.367 -4.086 -9.087 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.200 -3.576 -10.054 1.00 0.42 O ATOM 0 H TYR A 120 1.339 -7.853 -5.992 1.00 0.13 H new ATOM 0 HA TYR A 120 3.583 -6.561 -7.375 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.756 -5.617 -5.138 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.046 -4.663 -5.842 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.882 -3.898 -8.191 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.345 -5.909 -6.284 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.348 -3.054 -9.909 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.884 -5.072 -8.001 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.108 -3.919 -9.918 1.00 0.42 H new ATOM 1785 N CYS A 121 3.958 -8.292 -4.859 1.00 0.14 N ATOM 1786 CA CYS A 121 4.810 -8.773 -3.790 1.00 0.15 C ATOM 1787 C CYS A 121 5.622 -9.979 -4.253 1.00 0.16 C ATOM 1788 O CYS A 121 6.711 -9.812 -4.793 1.00 0.18 O ATOM 1789 CB CYS A 121 3.963 -9.115 -2.573 1.00 0.14 C ATOM 1790 SG CYS A 121 2.987 -7.728 -1.952 1.00 0.16 S ATOM 0 H CYS A 121 3.280 -8.978 -5.191 1.00 0.14 H new ATOM 0 HA CYS A 121 5.514 -7.988 -3.513 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.291 -9.935 -2.828 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.615 -9.474 -1.777 1.00 0.14 H new ATOM 0 HG CYS A 121 1.729 -8.055 -1.938 1.00 0.16 H new ATOM 1796 N TYR A 122 5.099 -11.195 -4.059 1.00 0.16 N ATOM 1797 CA TYR A 122 5.801 -12.388 -4.519 1.00 0.18 C ATOM 1798 C TYR A 122 4.836 -13.484 -4.993 1.00 0.18 C ATOM 1799 O TYR A 122 5.070 -14.649 -4.707 1.00 0.20 O ATOM 1800 CB TYR A 122 6.685 -12.963 -3.404 1.00 0.19 C ATOM 1801 CG TYR A 122 7.441 -11.935 -2.592 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.670 -11.452 -3.025 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.928 -11.447 -1.393 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.366 -10.517 -2.286 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.618 -10.515 -0.655 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.833 -10.053 -1.102 1.00 0.22 C ATOM 1807 OH TYR A 122 9.521 -9.128 -0.357 1.00 0.24 O ATOM 0 H TYR A 122 4.208 -11.373 -3.595 1.00 0.16 H new ATOM 0 HA TYR A 122 6.416 -12.076 -5.363 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.059 -13.547 -2.730 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.403 -13.652 -3.849 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.087 -11.814 -3.953 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.974 -11.806 -1.038 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.321 -10.151 -2.633 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.207 -10.147 0.273 1.00 0.20 H new ATOM 0 HH TYR A 122 9.006 -8.907 0.447 1.00 0.24 H new ATOM 1817 N GLY A 123 3.767 -13.122 -5.708 1.00 0.19 N ATOM 1818 CA GLY A 123 2.837 -14.119 -6.240 1.00 0.21 C ATOM 1819 C GLY A 123 3.514 -15.216 -7.044 1.00 0.21 C ATOM 1820 O GLY A 123 3.796 -16.293 -6.524 1.00 0.25 O ATOM 0 H GLY A 123 3.526 -12.156 -5.930 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.290 -14.571 -5.413 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.103 -13.618 -6.871 1.00 0.21 H new ATOM 1824 N PRO A 124 3.769 -14.983 -8.328 1.00 0.25 N ATOM 1825 CA PRO A 124 4.513 -15.921 -9.158 1.00 0.30 C ATOM 1826 C PRO A 124 6.012 -15.751 -8.951 1.00 0.30 C ATOM 1827 O PRO A 124 6.827 -16.291 -9.696 1.00 0.34 O ATOM 1828 CB PRO A 124 4.116 -15.535 -10.593 1.00 0.37 C ATOM 1829 CG PRO A 124 3.155 -14.388 -10.469 1.00 0.58 C ATOM 1830 CD PRO A 124 3.343 -13.815 -9.093 1.00 0.32 C ATOM 0 HA PRO A 124 4.290 -16.962 -8.923 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.992 -15.248 -11.175 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.653 -16.377 -11.108 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.351 -13.635 -11.232 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.128 -14.726 -10.611 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.093 -13.024 -9.080 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.421 -13.386 -8.701 1.00 0.32 H new ATOM 1838 N GLN A 125 6.357 -14.984 -7.926 1.00 0.27 N ATOM 1839 CA GLN A 125 7.737 -14.625 -7.669 1.00 0.30 C ATOM 1840 C GLN A 125 8.279 -15.434 -6.504 1.00 0.32 C ATOM 1841 O GLN A 125 9.332 -16.063 -6.593 1.00 0.39 O ATOM 1842 CB GLN A 125 7.821 -13.130 -7.373 1.00 0.30 C ATOM 1843 CG GLN A 125 7.143 -12.288 -8.438 1.00 0.33 C ATOM 1844 CD GLN A 125 7.098 -10.816 -8.084 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.017 -10.061 -8.397 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.017 -10.396 -7.443 1.00 0.29 N ATOM 0 H GLN A 125 5.691 -14.598 -7.257 1.00 0.27 H new ATOM 0 HA GLN A 125 8.343 -14.848 -8.547 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.360 -12.928 -6.406 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.868 -12.837 -7.294 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.670 -12.413 -9.384 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.127 -12.652 -8.589 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.278 -11.056 -7.202 1.00 0.29 H new ATOM 0 HE22 GLN A 125 5.924 -9.412 -7.190 1.00 0.29 H new ATOM 1855 N GLY A 126 7.518 -15.426 -5.424 1.00 0.27 N ATOM 1856 CA GLY A 126 7.914 -16.087 -4.208 1.00 0.27 C ATOM 1857 C GLY A 126 8.876 -15.263 -3.386 1.00 0.28 C ATOM 1858 O GLY A 126 9.747 -14.571 -3.915 1.00 0.30 O ATOM 0 H GLY A 126 6.612 -14.961 -5.372 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.028 -16.305 -3.612 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.377 -17.043 -4.453 1.00 0.27 H new ATOM 1862 N SER A 127 8.694 -15.322 -2.081 1.00 0.27 N ATOM 1863 CA SER A 127 9.492 -14.534 -1.163 1.00 0.28 C ATOM 1864 C SER A 127 10.718 -15.311 -0.682 1.00 0.32 C ATOM 1865 O SER A 127 10.819 -16.522 -0.883 1.00 0.33 O ATOM 1866 CB SER A 127 8.620 -14.057 0.019 1.00 0.27 C ATOM 1867 OG SER A 127 9.394 -13.525 1.085 1.00 0.30 O ATOM 0 H SER A 127 7.995 -15.912 -1.630 1.00 0.27 H new ATOM 0 HA SER A 127 9.863 -13.655 -1.691 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.921 -13.298 -0.332 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.025 -14.892 0.388 1.00 0.27 H new ATOM 0 HG SER A 127 8.820 -13.384 1.867 1.00 0.30 H new ATOM 1873 N ARG A 128 11.663 -14.584 -0.086 1.00 0.38 N ATOM 1874 CA ARG A 128 12.927 -15.147 0.372 1.00 0.42 C ATOM 1875 C ARG A 128 12.725 -16.322 1.306 1.00 0.42 C ATOM 1876 O ARG A 128 13.162 -17.435 1.020 1.00 0.52 O ATOM 1877 CB ARG A 128 13.750 -14.077 1.085 1.00 0.52 C ATOM 1878 CG ARG A 128 14.638 -13.261 0.162 1.00 1.12 C ATOM 1879 CD ARG A 128 15.766 -14.109 -0.414 1.00 1.41 C ATOM 1880 NE ARG A 128 15.285 -15.063 -1.411 1.00 1.81 N ATOM 1881 CZ ARG A 128 15.516 -14.961 -2.718 1.00 2.33 C ATOM 1882 NH1 ARG A 128 16.245 -13.956 -3.198 1.00 2.45 N ATOM 1883 NH2 ARG A 128 15.013 -15.868 -3.546 1.00 3.17 N ATOM 0 H ARG A 128 11.570 -13.584 0.092 1.00 0.38 H new ATOM 0 HA ARG A 128 13.457 -15.504 -0.511 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.073 -13.403 1.610 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.372 -14.556 1.841 1.00 0.52 H new ATOM 0 HG2 ARG A 128 14.040 -12.848 -0.650 1.00 1.12 H new ATOM 0 HG3 ARG A 128 15.058 -12.417 0.710 1.00 1.12 H new ATOM 0 HD2 ARG A 128 16.513 -13.457 -0.868 1.00 1.41 H new ATOM 0 HD3 ARG A 128 16.262 -14.648 0.393 1.00 1.41 H new ATOM 0 HE ARG A 128 14.737 -15.859 -1.084 1.00 1.81 H new ATOM 0 HH11 ARG A 128 16.631 -13.257 -2.563 1.00 2.45 H new ATOM 0 HH12 ARG A 128 16.418 -13.885 -4.201 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.453 -16.638 -3.180 1.00 3.17 H new ATOM 0 HH22 ARG A 128 15.186 -15.795 -4.549 1.00 3.17 H new ATOM 1897 N SER A 129 12.066 -16.071 2.423 1.00 0.42 N ATOM 1898 CA SER A 129 11.859 -17.112 3.404 1.00 0.44 C ATOM 1899 C SER A 129 10.749 -18.057 2.934 1.00 0.41 C ATOM 1900 O SER A 129 10.979 -19.259 2.817 1.00 0.44 O ATOM 1901 CB SER A 129 11.572 -16.504 4.779 1.00 0.48 C ATOM 1902 OG SER A 129 11.577 -17.498 5.794 1.00 1.23 O ATOM 0 H SER A 129 11.670 -15.164 2.669 1.00 0.42 H new ATOM 0 HA SER A 129 12.768 -17.704 3.507 1.00 0.44 H new ATOM 0 HB2 SER A 129 12.320 -15.745 5.007 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.604 -16.003 4.763 1.00 0.48 H new ATOM 0 HG SER A 129 11.393 -17.081 6.661 1.00 1.23 H new ATOM 1908 N PRO A 130 9.519 -17.566 2.671 1.00 0.37 N ATOM 1909 CA PRO A 130 8.481 -18.360 2.052 1.00 0.36 C ATOM 1910 C PRO A 130 8.201 -17.927 0.619 1.00 0.32 C ATOM 1911 O PRO A 130 7.935 -16.762 0.368 1.00 0.27 O ATOM 1912 CB PRO A 130 7.265 -18.003 2.924 1.00 0.37 C ATOM 1913 CG PRO A 130 7.631 -16.711 3.614 1.00 0.37 C ATOM 1914 CD PRO A 130 8.951 -16.270 3.035 1.00 0.37 C ATOM 0 HA PRO A 130 8.736 -19.418 1.998 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.368 -17.883 2.317 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.057 -18.790 3.649 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.864 -15.954 3.450 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.710 -16.856 4.691 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.829 -15.613 2.174 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.565 -15.735 3.760 1.00 0.37 H new ATOM 1922 N TYR A 131 8.251 -18.847 -0.321 1.00 0.33 N ATOM 1923 CA TYR A 131 7.653 -18.600 -1.616 1.00 0.32 C ATOM 1924 C TYR A 131 6.186 -18.267 -1.389 1.00 0.30 C ATOM 1925 O TYR A 131 5.371 -19.155 -1.134 1.00 0.32 O ATOM 1926 CB TYR A 131 7.797 -19.817 -2.543 1.00 0.36 C ATOM 1927 CG TYR A 131 7.143 -19.631 -3.900 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.792 -19.887 -4.085 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.884 -19.214 -4.999 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.201 -19.743 -5.327 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.302 -19.061 -6.239 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.926 -19.249 -6.372 1.00 0.81 C ATOM 1933 OH TYR A 131 5.386 -19.194 -7.640 1.00 1.00 O ATOM 0 H TYR A 131 8.693 -19.760 -0.216 1.00 0.33 H new ATOM 0 HA TYR A 131 8.163 -17.771 -2.107 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.856 -20.030 -2.686 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.360 -20.688 -2.055 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.192 -20.204 -3.245 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.937 -19.006 -4.879 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.167 -20.021 -5.470 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.904 -18.799 -7.097 1.00 1.14 H new ATOM 0 HH TYR A 131 6.043 -18.813 -8.259 1.00 1.00 H new ATOM 1943 N ILE A 132 5.874 -16.982 -1.402 1.00 0.27 N ATOM 1944 CA ILE A 132 4.525 -16.529 -1.146 1.00 0.26 C ATOM 1945 C ILE A 132 3.590 -17.003 -2.257 1.00 0.25 C ATOM 1946 O ILE A 132 3.887 -16.828 -3.435 1.00 0.25 O ATOM 1947 CB ILE A 132 4.458 -14.988 -1.037 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.435 -14.439 0.004 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.051 -14.549 -0.705 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.366 -15.104 1.352 1.00 0.23 C ATOM 0 H ILE A 132 6.542 -16.234 -1.588 1.00 0.27 H new ATOM 0 HA ILE A 132 4.208 -16.955 -0.194 1.00 0.26 H new ATOM 0 HB ILE A 132 4.749 -14.583 -2.006 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.449 -14.539 -0.383 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.246 -13.373 0.131 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.017 -13.462 -0.631 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.372 -14.881 -1.490 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.748 -14.987 0.246 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.095 -14.647 2.021 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.366 -14.982 1.767 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.587 -16.166 1.246 1.00 0.23 H new ATOM 1962 N PRO A 133 2.469 -17.644 -1.887 1.00 0.27 N ATOM 1963 CA PRO A 133 1.467 -18.107 -2.850 1.00 0.28 C ATOM 1964 C PRO A 133 0.983 -16.979 -3.762 1.00 0.26 C ATOM 1965 O PRO A 133 0.837 -15.832 -3.323 1.00 0.26 O ATOM 1966 CB PRO A 133 0.321 -18.610 -1.964 1.00 0.34 C ATOM 1967 CG PRO A 133 0.969 -18.956 -0.669 1.00 0.61 C ATOM 1968 CD PRO A 133 2.098 -17.977 -0.500 1.00 0.31 C ATOM 0 HA PRO A 133 1.866 -18.869 -3.520 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.443 -17.844 -1.832 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.170 -19.477 -2.406 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.260 -18.881 0.155 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.339 -19.981 -0.679 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.784 -17.093 0.056 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.933 -18.416 0.045 1.00 0.31 H new ATOM 1976 N PRO A 134 0.755 -17.281 -5.051 1.00 0.27 N ATOM 1977 CA PRO A 134 0.255 -16.297 -6.007 1.00 0.25 C ATOM 1978 C PRO A 134 -1.068 -15.698 -5.569 1.00 0.27 C ATOM 1979 O PRO A 134 -1.998 -16.417 -5.195 1.00 0.32 O ATOM 1980 CB PRO A 134 0.080 -17.083 -7.305 1.00 0.29 C ATOM 1981 CG PRO A 134 0.979 -18.262 -7.155 1.00 0.52 C ATOM 1982 CD PRO A 134 0.991 -18.588 -5.685 1.00 0.33 C ATOM 0 HA PRO A 134 0.939 -15.454 -6.106 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.956 -17.390 -7.446 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.355 -16.483 -8.172 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.615 -19.107 -7.739 1.00 0.52 H new ATOM 0 HG3 PRO A 134 1.983 -18.035 -7.513 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.215 -19.308 -5.425 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.943 -19.020 -5.376 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.119 -14.374 -5.606 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.317 -13.604 -5.251 1.00 0.31 C ATOM 1992 C HIS A 135 -2.580 -13.565 -3.750 1.00 0.32 C ATOM 1993 O HIS A 135 -3.630 -13.083 -3.326 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.571 -14.132 -5.956 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.888 -13.440 -7.235 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.324 -12.137 -7.298 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.862 -13.886 -8.510 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -4.547 -11.812 -8.553 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -4.274 -12.853 -9.311 1.00 2.25 N ATOM 0 H HIS A 135 -0.328 -13.794 -5.884 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.107 -12.590 -5.591 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.442 -15.196 -6.154 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.422 -14.034 -5.282 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -4.454 -11.519 -6.497 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -3.571 -14.873 -8.837 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -4.896 -10.852 -8.903 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.652 -14.068 -2.948 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.776 -13.938 -1.505 1.00 0.24 C ATOM 2010 C ALA A 136 -1.596 -12.480 -1.109 1.00 0.21 C ATOM 2011 O ALA A 136 -0.554 -11.888 -1.378 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.757 -14.814 -0.793 1.00 0.26 C ATOM 0 H ALA A 136 -0.818 -14.562 -3.266 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.770 -14.271 -1.205 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.869 -14.700 0.285 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.919 -15.857 -1.066 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.249 -14.514 -1.087 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.602 -11.903 -0.477 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.568 -10.485 -0.171 1.00 0.19 C ATOM 2020 C ALA A 137 -1.589 -10.226 0.962 1.00 0.16 C ATOM 2021 O ALA A 137 -1.791 -10.669 2.092 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.961 -9.976 0.184 1.00 0.22 C ATOM 0 H ALA A 137 -3.444 -12.389 -0.168 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.231 -9.941 -1.054 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.913 -8.911 0.410 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.633 -10.138 -0.659 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.334 -10.515 1.055 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.516 -9.531 0.646 1.00 0.13 N ATOM 2029 CA LEU A 138 0.512 -9.238 1.618 1.00 0.12 C ATOM 2030 C LEU A 138 0.239 -7.924 2.317 1.00 0.13 C ATOM 2031 O LEU A 138 0.027 -6.907 1.670 1.00 0.15 O ATOM 2032 CB LEU A 138 1.876 -9.171 0.939 1.00 0.13 C ATOM 2033 CG LEU A 138 2.794 -10.347 1.251 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.099 -11.641 0.902 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.112 -10.223 0.508 1.00 0.19 C ATOM 0 H LEU A 138 -0.334 -9.157 -0.285 1.00 0.13 H new ATOM 0 HA LEU A 138 0.509 -10.038 2.358 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.729 -9.117 -0.140 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.373 -8.248 1.239 1.00 0.13 H new ATOM 0 HG LEU A 138 3.018 -10.343 2.318 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.758 -12.480 1.126 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.184 -11.732 1.487 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.853 -11.647 -0.160 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.747 -11.075 0.749 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.924 -10.203 -0.565 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.612 -9.302 0.806 1.00 0.19 H new ATOM 2047 N CYS A 139 0.284 -7.935 3.631 1.00 0.13 N ATOM 2048 CA CYS A 139 0.165 -6.713 4.393 1.00 0.14 C ATOM 2049 C CYS A 139 1.500 -6.434 5.076 1.00 0.13 C ATOM 2050 O CYS A 139 1.816 -7.009 6.120 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.952 -6.834 5.430 1.00 0.18 C ATOM 2052 SG CYS A 139 -2.540 -7.396 4.791 1.00 1.20 S ATOM 0 H CYS A 139 0.402 -8.777 4.194 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.088 -5.888 3.727 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -0.628 -7.524 6.209 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -1.093 -5.862 5.903 1.00 0.18 H new ATOM 0 HG CYS A 139 -3.243 -6.370 4.413 1.00 1.20 H new ATOM 2058 N LEU A 140 2.280 -5.561 4.474 1.00 0.13 N ATOM 2059 CA LEU A 140 3.626 -5.287 4.941 1.00 0.14 C ATOM 2060 C LEU A 140 3.726 -3.914 5.585 1.00 0.13 C ATOM 2061 O LEU A 140 3.212 -2.934 5.065 1.00 0.12 O ATOM 2062 CB LEU A 140 4.616 -5.398 3.786 1.00 0.17 C ATOM 2063 CG LEU A 140 4.301 -4.553 2.555 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.427 -3.568 2.316 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.093 -5.440 1.334 1.00 0.32 C ATOM 0 H LEU A 140 2.003 -5.024 3.652 1.00 0.13 H new ATOM 0 HA LEU A 140 3.872 -6.030 5.700 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.604 -5.118 4.152 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.673 -6.443 3.481 1.00 0.17 H new ATOM 0 HG LEU A 140 3.377 -4.001 2.728 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.202 -2.964 1.437 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.533 -2.918 3.185 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.358 -4.112 2.154 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.869 -4.819 0.467 1.00 0.32 H new ATOM 0 HD22 LEU A 140 4.999 -6.016 1.144 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.262 -6.121 1.516 1.00 0.32 H new ATOM 2077 N GLU A 141 4.386 -3.854 6.722 1.00 0.14 N ATOM 2078 CA GLU A 141 4.547 -2.609 7.444 1.00 0.13 C ATOM 2079 C GLU A 141 5.958 -2.076 7.214 1.00 0.12 C ATOM 2080 O GLU A 141 6.933 -2.735 7.566 1.00 0.15 O ATOM 2081 CB GLU A 141 4.262 -2.872 8.923 1.00 0.18 C ATOM 2082 CG GLU A 141 4.429 -1.678 9.844 1.00 0.26 C ATOM 2083 CD GLU A 141 4.034 -2.025 11.266 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.756 -2.812 11.912 1.00 1.05 O ATOM 2085 OE2 GLU A 141 3.019 -1.484 11.753 1.00 1.00 O ATOM 0 H GLU A 141 4.823 -4.660 7.169 1.00 0.14 H new ATOM 0 HA GLU A 141 3.849 -1.850 7.090 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.241 -3.242 9.018 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.923 -3.668 9.266 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.465 -1.341 9.823 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.818 -0.850 9.485 1.00 0.26 H new ATOM 2092 N VAL A 142 6.068 -0.917 6.578 1.00 0.12 N ATOM 2093 CA VAL A 142 7.368 -0.366 6.230 1.00 0.12 C ATOM 2094 C VAL A 142 7.665 0.953 6.951 1.00 0.12 C ATOM 2095 O VAL A 142 6.932 1.938 6.824 1.00 0.15 O ATOM 2096 CB VAL A 142 7.522 -0.172 4.706 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.776 -1.507 4.024 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.290 0.499 4.108 1.00 0.19 C ATOM 0 H VAL A 142 5.274 -0.343 6.294 1.00 0.12 H new ATOM 0 HA VAL A 142 8.097 -1.103 6.566 1.00 0.12 H new ATOM 0 HB VAL A 142 8.379 0.480 4.537 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.882 -1.353 2.950 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.690 -1.949 4.419 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.938 -2.177 4.213 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.428 0.622 3.034 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.413 -0.121 4.292 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.148 1.476 4.570 1.00 0.19 H new ATOM 2108 N THR A 143 8.732 0.936 7.736 1.00 0.13 N ATOM 2109 CA THR A 143 9.276 2.132 8.363 1.00 0.13 C ATOM 2110 C THR A 143 10.320 2.776 7.456 1.00 0.12 C ATOM 2111 O THR A 143 11.400 2.218 7.259 1.00 0.15 O ATOM 2112 CB THR A 143 9.967 1.788 9.700 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.186 0.825 10.425 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.164 3.036 10.549 1.00 0.22 C ATOM 0 H THR A 143 9.249 0.085 7.958 1.00 0.13 H new ATOM 0 HA THR A 143 8.444 2.814 8.538 1.00 0.13 H new ATOM 0 HB THR A 143 10.946 1.365 9.477 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.633 0.612 11.271 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.653 2.766 11.485 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.785 3.750 10.008 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.195 3.487 10.763 1.00 0.22 H new ATOM 2122 N LEU A 144 10.004 3.933 6.903 1.00 0.13 N ATOM 2123 CA LEU A 144 10.985 4.696 6.152 1.00 0.12 C ATOM 2124 C LEU A 144 11.822 5.499 7.125 1.00 0.12 C ATOM 2125 O LEU A 144 11.422 6.568 7.584 1.00 0.14 O ATOM 2126 CB LEU A 144 10.314 5.613 5.132 1.00 0.14 C ATOM 2127 CG LEU A 144 11.276 6.431 4.270 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.152 5.514 3.428 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.505 7.384 3.380 1.00 0.13 C ATOM 0 H LEU A 144 9.081 4.363 6.959 1.00 0.13 H new ATOM 0 HA LEU A 144 11.622 4.010 5.594 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.688 5.007 4.477 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.652 6.298 5.661 1.00 0.14 H new ATOM 0 HG LEU A 144 11.920 7.013 4.930 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.830 6.115 2.821 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.731 4.863 4.082 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.523 4.907 2.776 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.203 7.960 2.772 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.840 6.816 2.729 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.916 8.063 3.997 1.00 0.13 H new ATOM 2141 N LYS A 145 12.979 4.962 7.446 1.00 0.14 N ATOM 2142 CA LYS A 145 13.793 5.506 8.513 1.00 0.17 C ATOM 2143 C LYS A 145 14.822 6.474 7.959 1.00 0.16 C ATOM 2144 O LYS A 145 15.249 7.403 8.641 1.00 0.21 O ATOM 2145 CB LYS A 145 14.498 4.374 9.259 1.00 0.26 C ATOM 2146 CG LYS A 145 13.603 3.185 9.559 1.00 0.40 C ATOM 2147 CD LYS A 145 14.373 2.059 10.234 1.00 0.60 C ATOM 2148 CE LYS A 145 15.453 1.508 9.321 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.426 0.653 10.058 1.00 1.08 N ATOM 0 H LYS A 145 13.379 4.146 6.982 1.00 0.14 H new ATOM 0 HA LYS A 145 13.144 6.044 9.203 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.348 4.036 8.667 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.896 4.762 10.196 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.781 3.501 10.202 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.160 2.819 8.632 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.825 2.425 11.156 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.685 1.260 10.512 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.991 0.926 8.523 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.983 2.334 8.847 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.361 0.726 9.609 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.490 0.972 11.046 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.106 -0.336 10.034 1.00 1.08 H new ATOM 2163 N THR A 146 15.238 6.249 6.723 1.00 0.16 N ATOM 2164 CA THR A 146 16.259 7.081 6.115 1.00 0.19 C ATOM 2165 C THR A 146 16.126 7.094 4.597 1.00 0.17 C ATOM 2166 O THR A 146 15.667 6.121 3.998 1.00 0.16 O ATOM 2167 CB THR A 146 17.675 6.580 6.489 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.773 6.366 7.907 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.755 7.567 6.059 1.00 0.37 C ATOM 0 H THR A 146 14.886 5.501 6.125 1.00 0.16 H new ATOM 0 HA THR A 146 16.118 8.092 6.497 1.00 0.19 H new ATOM 0 HB THR A 146 17.833 5.640 5.960 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.673 6.048 8.128 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.734 7.179 6.339 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.714 7.703 4.978 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.589 8.525 6.552 1.00 0.37 H new ATOM 2177 N ALA A 147 16.513 8.206 3.992 1.00 0.20 N ATOM 2178 CA ALA A 147 16.591 8.310 2.547 1.00 0.19 C ATOM 2179 C ALA A 147 17.831 9.097 2.168 1.00 0.22 C ATOM 2180 O ALA A 147 18.044 10.197 2.682 1.00 0.25 O ATOM 2181 CB ALA A 147 15.343 8.984 2.001 1.00 0.21 C ATOM 0 H ALA A 147 16.780 9.057 4.487 1.00 0.20 H new ATOM 0 HA ALA A 147 16.655 7.312 2.114 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.414 9.056 0.916 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.465 8.396 2.269 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.254 9.984 2.426 1.00 0.21 H new ATOM 2187 N VAL A 148 18.659 8.550 1.281 1.00 0.24 N ATOM 2188 CA VAL A 148 19.888 9.236 0.908 1.00 0.31 C ATOM 2189 C VAL A 148 20.016 9.362 -0.606 1.00 0.34 C ATOM 2190 O VAL A 148 19.690 8.442 -1.357 1.00 0.36 O ATOM 2191 CB VAL A 148 21.146 8.557 1.496 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.072 8.506 3.015 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.345 7.163 0.928 1.00 0.75 C ATOM 0 H VAL A 148 18.505 7.654 0.818 1.00 0.24 H new ATOM 0 HA VAL A 148 19.823 10.235 1.338 1.00 0.31 H new ATOM 0 HB VAL A 148 22.007 9.160 1.209 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.968 8.024 3.407 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.003 9.519 3.410 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.192 7.938 3.318 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.239 6.717 1.364 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.478 6.546 1.166 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.461 7.224 -0.154 1.00 0.75 H new