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 81 GLN :FLIP amide:sc= 0.59 F(o=0.28!,f=1.7) USER MOD Set 1.2: A 122 TYR OH : rot 130:sc= 0.801 USER MOD Set 1.3: A 127 SER OG : rot 154:sc= 0.347 USER MOD Set 2.1: A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 113 MET CE :methyl -176:sc= 0 (180deg=-0.0101) USER MOD Set 3.2: A 115 THR OG1 : rot 119:sc= 1.42 USER MOD Set 3.3: A 139 CYS SG : rot 71:sc= 0.411 USER MOD Set 4.1: A 93 CYS SG : rot 180:sc= 0.327 USER MOD Set 4.2: A 97 GLN :FLIP amide:sc= 0.676 F(o=-0.82!,f=1) USER MOD Set 5.1: A 69 HIS : no HE2:sc= -7.68! C(o=-9.4!,f=-11!) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -1.71 F(o=-15!,f=-9.4) USER MOD Set 6.1: A 67 THR OG1 : rot 37:sc= -1.41! USER MOD Set 6.2: A 146 THR OG1 : rot -25:sc= 0.25 USER MOD Single : A 42 ASN :FLIP amide:sc= -3.57! C(o=-4.2!,f=-3.6!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -2.79! (180deg=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 0.199 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 52:sc= 0.0719 USER MOD Single : A 57 SER OG : rot 85:sc= 1.22 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -109:sc= 0.178 (180deg=-2.7!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.544 F(o=-5.4!,f=-0.54) USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00789 USER MOD Single : A 73 SER OG : rot 74:sc= -0.244 USER MOD Single : A 76 ASN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -130:sc= -1.08 USER MOD Single : A 106 MET CE :methyl -118:sc= -3.51! (180deg=-4.89!) USER MOD Single : A 111 THR OG1 : rot 180:sc=-0.00831 USER MOD Single : A 118 SER OG : rot -62:sc= -3.02! USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 128:sc= -4.16! USER MOD Single : A 125 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.0055) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 143 THR OG1 : rot 170:sc= -0.478 USER MOD Single : A 145 LYS NZ :NH3+ -158:sc= 2.3 (180deg=0.868) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.679 2.219 2.203 1.00 0.53 N ATOM 490 CA TRP A 36 -6.650 3.245 2.200 1.00 0.45 C ATOM 491 C TRP A 36 -6.402 3.747 0.787 1.00 0.46 C ATOM 492 O TRP A 36 -7.072 3.334 -0.163 1.00 0.52 O ATOM 493 CB TRP A 36 -5.332 2.714 2.773 1.00 0.38 C ATOM 494 CG TRP A 36 -5.476 1.617 3.785 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.391 1.521 4.798 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.644 0.460 3.892 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.195 0.356 5.504 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.117 -0.307 4.969 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.540 -0.001 3.170 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.521 -1.513 5.338 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.961 -1.186 3.540 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.445 -1.930 4.609 1.00 0.19 C ATOM 0 HA TRP A 36 -7.007 4.062 2.827 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.716 2.350 1.950 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.793 3.543 3.232 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.156 2.253 5.012 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.757 0.038 6.294 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.151 0.566 2.337 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.896 -2.094 6.168 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.108 -1.551 2.987 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.959 -2.859 4.869 1.00 0.19 H new ATOM 513 N LEU A 37 -5.416 4.616 0.656 1.00 0.43 N ATOM 514 CA LEU A 37 -5.061 5.164 -0.636 1.00 0.42 C ATOM 515 C LEU A 37 -4.441 4.082 -1.494 1.00 0.37 C ATOM 516 O LEU A 37 -3.340 3.604 -1.202 1.00 0.35 O ATOM 517 CB LEU A 37 -4.061 6.305 -0.466 1.00 0.45 C ATOM 518 CG LEU A 37 -3.758 7.102 -1.737 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.007 7.811 -2.234 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.637 8.095 -1.480 1.00 0.50 C ATOM 0 H LEU A 37 -4.847 4.956 1.431 1.00 0.43 H new ATOM 0 HA LEU A 37 -5.962 5.545 -1.117 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.442 6.990 0.291 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.127 5.894 -0.083 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.432 6.410 -2.514 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.771 8.372 -3.138 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.780 7.075 -2.455 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.367 8.495 -1.466 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.431 8.655 -2.392 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -2.935 8.784 -0.690 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.739 7.559 -1.173 1.00 0.50 H new ATOM 532 N ASP A 38 -5.154 3.671 -2.530 1.00 0.38 N ATOM 533 CA ASP A 38 -4.594 2.723 -3.469 1.00 0.41 C ATOM 534 C ASP A 38 -3.602 3.429 -4.367 1.00 0.39 C ATOM 535 O ASP A 38 -3.905 4.464 -4.962 1.00 0.44 O ATOM 536 CB ASP A 38 -5.662 2.026 -4.307 1.00 0.56 C ATOM 537 CG ASP A 38 -5.099 0.800 -5.004 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.520 0.934 -6.097 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.240 -0.307 -4.471 1.00 2.51 O ATOM 0 H ASP A 38 -6.105 3.975 -2.737 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.091 1.947 -2.893 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.496 1.734 -3.669 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.057 2.720 -5.049 1.00 0.56 H new ATOM 544 N ILE A 39 -2.423 2.854 -4.447 1.00 0.38 N ATOM 545 CA ILE A 39 -1.316 3.429 -5.181 1.00 0.38 C ATOM 546 C ILE A 39 -1.624 3.482 -6.674 1.00 0.39 C ATOM 547 O ILE A 39 -1.074 4.303 -7.411 1.00 0.46 O ATOM 548 CB ILE A 39 -0.037 2.607 -4.915 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.181 2.486 -3.397 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.168 3.227 -5.602 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.563 2.012 -2.996 1.00 0.43 C ATOM 0 H ILE A 39 -2.203 1.964 -4.000 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.158 4.452 -4.839 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.160 1.609 -5.335 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.004 3.457 -2.938 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.558 1.796 -2.991 1.00 0.40 H new ATOM 0 HG21 ILE A 39 2.054 2.626 -5.396 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.995 3.262 -6.678 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.321 4.239 -5.226 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.627 1.956 -1.909 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.747 1.026 -3.422 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.310 2.713 -3.368 1.00 0.43 H new ATOM 563 N LEU A 40 -2.526 2.620 -7.107 1.00 0.39 N ATOM 564 CA LEU A 40 -2.956 2.603 -8.491 1.00 0.49 C ATOM 565 C LEU A 40 -4.435 2.955 -8.584 1.00 0.49 C ATOM 566 O LEU A 40 -4.989 3.105 -9.673 1.00 0.62 O ATOM 567 CB LEU A 40 -2.702 1.224 -9.099 1.00 0.56 C ATOM 568 CG LEU A 40 -1.259 0.718 -8.991 1.00 0.59 C ATOM 569 CD1 LEU A 40 -1.139 -0.660 -9.613 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.299 1.689 -9.663 1.00 0.72 C ATOM 0 H LEU A 40 -2.976 1.920 -6.517 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.384 3.345 -9.049 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.360 0.504 -8.613 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.982 1.252 -10.152 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.994 0.650 -7.936 1.00 0.59 H new ATOM 0 HD11 LEU A 40 -0.109 -1.008 -9.530 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.800 -1.353 -9.092 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.422 -0.610 -10.665 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.720 1.312 -9.576 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.560 1.788 -10.717 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.368 2.663 -9.179 1.00 0.72 H new ATOM 582 N GLY A 41 -5.061 3.091 -7.422 1.00 0.43 N ATOM 583 CA GLY A 41 -6.487 3.329 -7.347 1.00 0.51 C ATOM 584 C GLY A 41 -7.298 2.120 -7.779 1.00 0.45 C ATOM 585 O GLY A 41 -8.483 2.241 -8.091 1.00 0.52 O ATOM 0 H GLY A 41 -4.595 3.039 -6.516 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.755 3.597 -6.325 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.744 4.180 -7.977 1.00 0.51 H new ATOM 589 N ASN A 42 -6.665 0.946 -7.788 1.00 0.39 N ATOM 590 CA ASN A 42 -7.337 -0.260 -8.271 1.00 0.42 C ATOM 591 C ASN A 42 -7.904 -1.115 -7.133 1.00 0.43 C ATOM 592 O ASN A 42 -8.925 -1.779 -7.307 1.00 0.56 O ATOM 593 CB ASN A 42 -6.431 -1.088 -9.209 1.00 0.49 C ATOM 594 CG ASN A 42 -5.310 -1.892 -8.552 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.712 -1.400 -7.479 1.00 0.95 O flip ATOM 596 ND2 ASN A 42 -4.955 -2.960 -9.044 1.00 0.44 N flip ATOM 0 H ASN A 42 -5.705 0.805 -7.472 1.00 0.39 H new ATOM 0 HA ASN A 42 -8.190 0.080 -8.859 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -7.062 -1.779 -9.768 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.982 -0.409 -9.934 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -5.429 -3.323 -9.871 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.187 -3.484 -8.625 1.00 0.44 H new ATOM 603 N GLY A 43 -7.261 -1.100 -5.971 1.00 0.40 N ATOM 604 CA GLY A 43 -7.811 -1.793 -4.813 1.00 0.50 C ATOM 605 C GLY A 43 -6.927 -2.932 -4.354 1.00 0.45 C ATOM 606 O GLY A 43 -7.223 -3.610 -3.373 1.00 0.72 O ATOM 0 H GLY A 43 -6.374 -0.624 -5.807 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.940 -1.084 -3.995 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.800 -2.180 -5.059 1.00 0.50 H new ATOM 610 N LEU A 44 -5.831 -3.126 -5.068 1.00 0.29 N ATOM 611 CA LEU A 44 -4.905 -4.221 -4.800 1.00 0.36 C ATOM 612 C LEU A 44 -3.712 -3.734 -3.991 1.00 0.25 C ATOM 613 O LEU A 44 -3.162 -4.462 -3.167 1.00 0.27 O ATOM 614 CB LEU A 44 -4.397 -4.822 -6.120 1.00 0.60 C ATOM 615 CG LEU A 44 -5.386 -5.702 -6.895 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.660 -4.949 -7.246 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.724 -6.245 -8.150 1.00 1.56 C ATOM 0 H LEU A 44 -5.555 -2.531 -5.850 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.441 -4.980 -4.230 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.086 -4.004 -6.770 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.508 -5.415 -5.905 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.670 -6.534 -6.250 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.333 -5.608 -7.794 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.147 -4.612 -6.331 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.414 -4.086 -7.865 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.433 -6.869 -8.694 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.409 -5.416 -8.783 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -3.854 -6.841 -7.874 1.00 1.56 H new ATOM 629 N LEU A 45 -3.303 -2.515 -4.276 1.00 0.23 N ATOM 630 CA LEU A 45 -2.087 -1.947 -3.723 1.00 0.22 C ATOM 631 C LEU A 45 -2.375 -0.652 -2.967 1.00 0.22 C ATOM 632 O LEU A 45 -2.539 0.395 -3.575 1.00 0.32 O ATOM 633 CB LEU A 45 -1.121 -1.715 -4.876 1.00 0.30 C ATOM 634 CG LEU A 45 0.088 -0.856 -4.567 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.845 -1.416 -3.380 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.965 -0.778 -5.798 1.00 0.31 C ATOM 0 H LEU A 45 -3.806 -1.885 -4.901 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.646 -2.632 -2.999 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.772 -2.684 -5.232 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.670 -1.253 -5.697 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.232 0.151 -4.301 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.711 -0.787 -3.171 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.191 -1.435 -2.508 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.178 -2.429 -3.606 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.838 -0.161 -5.584 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.289 -1.780 -6.078 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.401 -0.336 -6.619 1.00 0.31 H new ATOM 648 N ARG A 46 -2.420 -0.713 -1.646 1.00 0.20 N ATOM 649 CA ARG A 46 -2.859 0.435 -0.853 1.00 0.22 C ATOM 650 C ARG A 46 -1.925 0.691 0.321 1.00 0.19 C ATOM 651 O ARG A 46 -1.485 -0.247 0.976 1.00 0.19 O ATOM 652 CB ARG A 46 -4.264 0.173 -0.334 1.00 0.25 C ATOM 653 CG ARG A 46 -5.210 -0.297 -1.421 1.00 0.36 C ATOM 654 CD ARG A 46 -6.595 -0.558 -0.877 1.00 0.37 C ATOM 655 NE ARG A 46 -6.576 -1.607 0.142 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.642 -1.959 0.853 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.803 -1.361 0.632 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.557 -2.919 1.772 1.00 0.99 N ATOM 0 H ARG A 46 -2.162 -1.535 -1.100 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.848 1.318 -1.492 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.222 -0.578 0.455 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.657 1.085 0.115 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.263 0.455 -2.208 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.819 -1.207 -1.876 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -6.999 0.360 -0.450 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.259 -0.850 -1.691 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.697 -2.095 0.316 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.875 -0.635 -0.081 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.625 -1.627 1.174 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.668 -3.391 1.935 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.381 -3.182 2.313 1.00 0.99 H new ATOM 672 N LYS A 47 -1.657 1.962 0.601 1.00 0.20 N ATOM 673 CA LYS A 47 -0.737 2.347 1.665 1.00 0.17 C ATOM 674 C LYS A 47 -1.492 3.019 2.817 1.00 0.18 C ATOM 675 O LYS A 47 -2.188 4.015 2.612 1.00 0.22 O ATOM 676 CB LYS A 47 0.306 3.319 1.103 1.00 0.23 C ATOM 677 CG LYS A 47 1.571 3.409 1.933 1.00 0.25 C ATOM 678 CD LYS A 47 2.281 4.734 1.734 1.00 0.32 C ATOM 679 CE LYS A 47 1.559 5.862 2.468 1.00 0.20 C ATOM 680 NZ LYS A 47 2.465 6.985 2.841 1.00 0.35 N ATOM 0 H LYS A 47 -2.068 2.750 0.100 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.247 1.451 2.047 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.568 3.010 0.091 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.139 4.311 1.028 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.324 3.284 2.987 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.242 2.593 1.664 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.306 4.658 2.096 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.335 4.965 0.670 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.756 6.244 1.837 1.00 0.20 H new ATOM 0 HE3 LYS A 47 1.094 5.463 3.369 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.898 7.807 3.132 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.077 6.690 3.628 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 3.053 7.243 2.023 1.00 0.35 H new ATOM 694 N LYS A 48 -1.355 2.474 4.023 1.00 0.16 N ATOM 695 CA LYS A 48 -1.944 3.086 5.214 1.00 0.18 C ATOM 696 C LYS A 48 -0.877 3.799 6.025 1.00 0.17 C ATOM 697 O LYS A 48 0.067 3.172 6.505 1.00 0.22 O ATOM 698 CB LYS A 48 -2.610 2.039 6.114 1.00 0.25 C ATOM 699 CG LYS A 48 -3.265 2.640 7.359 1.00 0.32 C ATOM 700 CD LYS A 48 -3.181 1.708 8.561 1.00 0.69 C ATOM 701 CE LYS A 48 -4.032 0.466 8.387 1.00 0.52 C ATOM 702 NZ LYS A 48 -5.480 0.747 8.588 1.00 1.07 N ATOM 0 H LYS A 48 -0.842 1.611 4.203 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.697 3.795 4.869 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.364 1.502 5.538 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -1.863 1.307 6.422 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.781 3.586 7.601 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.311 2.862 7.146 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -2.143 1.415 8.719 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -3.501 2.243 9.455 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.878 0.058 7.388 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.709 -0.296 9.096 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -5.956 -0.112 8.929 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -5.592 1.506 9.290 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.905 1.044 7.686 1.00 1.07 H new ATOM 716 N THR A 49 -1.031 5.095 6.186 1.00 0.18 N ATOM 717 CA THR A 49 -0.133 5.863 7.018 1.00 0.20 C ATOM 718 C THR A 49 -0.448 5.642 8.492 1.00 0.21 C ATOM 719 O THR A 49 -1.361 6.258 9.039 1.00 0.29 O ATOM 720 CB THR A 49 -0.235 7.358 6.682 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.597 7.691 6.379 1.00 0.33 O ATOM 722 CG2 THR A 49 0.653 7.710 5.502 1.00 0.25 C ATOM 0 H THR A 49 -1.774 5.641 5.749 1.00 0.18 H new ATOM 0 HA THR A 49 0.884 5.525 6.821 1.00 0.20 H new ATOM 0 HB THR A 49 0.100 7.931 7.547 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.179 7.381 7.104 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.563 8.774 5.284 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.690 7.476 5.744 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.345 7.133 4.630 1.00 0.25 H new ATOM 730 N LEU A 50 0.282 4.723 9.116 1.00 0.18 N ATOM 731 CA LEU A 50 0.161 4.508 10.552 1.00 0.21 C ATOM 732 C LEU A 50 0.595 5.791 11.239 1.00 0.23 C ATOM 733 O LEU A 50 -0.063 6.320 12.133 1.00 0.28 O ATOM 734 CB LEU A 50 1.083 3.375 11.002 1.00 0.21 C ATOM 735 CG LEU A 50 1.074 2.138 10.113 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.288 1.276 10.399 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.205 1.352 10.322 1.00 0.24 C ATOM 0 H LEU A 50 0.960 4.118 8.652 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.866 4.243 10.804 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.102 3.757 11.055 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.801 3.079 12.012 1.00 0.21 H new ATOM 0 HG LEU A 50 1.117 2.453 9.070 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.269 0.396 9.757 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.195 1.848 10.203 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.275 0.964 11.443 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.199 0.470 9.681 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.275 1.042 11.365 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.062 1.978 10.071 1.00 0.24 H new ATOM 749 N VAL A 51 1.752 6.241 10.790 1.00 0.23 N ATOM 750 CA VAL A 51 2.310 7.540 11.111 1.00 0.27 C ATOM 751 C VAL A 51 2.930 8.063 9.850 1.00 0.24 C ATOM 752 O VAL A 51 3.706 7.351 9.239 1.00 0.23 O ATOM 753 CB VAL A 51 3.427 7.455 12.156 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.999 8.831 12.457 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.925 6.791 13.418 1.00 0.36 C ATOM 0 H VAL A 51 2.349 5.693 10.171 1.00 0.23 H new ATOM 0 HA VAL A 51 1.516 8.172 11.510 1.00 0.27 H new ATOM 0 HB VAL A 51 4.230 6.844 11.745 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.790 8.741 13.202 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.408 9.263 11.544 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.210 9.477 12.842 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.733 6.740 14.148 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.099 7.371 13.830 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.581 5.783 13.187 1.00 0.36 H new ATOM 765 N PRO A 52 2.577 9.260 9.412 1.00 0.29 N ATOM 766 CA PRO A 52 3.145 9.851 8.222 1.00 0.32 C ATOM 767 C PRO A 52 4.172 10.946 8.506 1.00 0.34 C ATOM 768 O PRO A 52 3.964 12.116 8.183 1.00 0.54 O ATOM 769 CB PRO A 52 1.891 10.401 7.585 1.00 0.41 C ATOM 770 CG PRO A 52 1.046 10.868 8.742 1.00 0.46 C ATOM 771 CD PRO A 52 1.521 10.112 9.964 1.00 0.37 C ATOM 0 HA PRO A 52 3.718 9.153 7.611 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.120 11.222 6.905 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.376 9.638 7.001 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.151 11.943 8.888 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.010 10.673 8.553 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.901 10.782 10.735 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.721 9.526 10.417 1.00 0.37 H new ATOM 779 N GLY A 53 5.275 10.545 9.121 1.00 0.24 N ATOM 780 CA GLY A 53 6.391 11.442 9.332 1.00 0.28 C ATOM 781 C GLY A 53 6.117 12.535 10.347 1.00 0.29 C ATOM 782 O GLY A 53 5.030 12.609 10.927 1.00 0.55 O ATOM 0 H GLY A 53 5.417 9.601 9.482 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.253 10.862 9.661 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.660 11.902 8.381 1.00 0.28 H new ATOM 821 N SER A 57 8.383 16.822 6.777 1.00 0.52 N ATOM 822 CA SER A 57 9.145 15.708 6.265 1.00 0.40 C ATOM 823 C SER A 57 9.453 15.905 4.782 1.00 0.34 C ATOM 824 O SER A 57 9.346 17.012 4.255 1.00 0.43 O ATOM 825 CB SER A 57 8.343 14.429 6.487 1.00 0.40 C ATOM 826 OG SER A 57 6.955 14.667 6.304 1.00 0.99 O ATOM 0 HA SER A 57 10.097 15.638 6.791 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.679 13.658 5.793 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.522 14.052 7.494 1.00 0.40 H new ATOM 0 HG SER A 57 6.732 14.587 5.353 1.00 0.99 H new ATOM 832 N SER A 58 9.853 14.833 4.119 1.00 0.28 N ATOM 833 CA SER A 58 10.113 14.865 2.695 1.00 0.30 C ATOM 834 C SER A 58 9.880 13.480 2.125 1.00 0.27 C ATOM 835 O SER A 58 10.268 12.486 2.737 1.00 0.38 O ATOM 836 CB SER A 58 11.551 15.320 2.423 1.00 0.38 C ATOM 837 OG SER A 58 11.758 15.622 1.056 1.00 1.28 O ATOM 0 H SER A 58 10.005 13.922 4.552 1.00 0.28 H new ATOM 0 HA SER A 58 9.440 15.576 2.216 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.774 16.199 3.027 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.244 14.537 2.731 1.00 0.38 H new ATOM 0 HG SER A 58 12.685 15.910 0.921 1.00 1.28 H new ATOM 843 N ARG A 59 9.210 13.415 0.990 1.00 0.32 N ATOM 844 CA ARG A 59 8.950 12.149 0.336 1.00 0.30 C ATOM 845 C ARG A 59 10.053 11.855 -0.672 1.00 0.27 C ATOM 846 O ARG A 59 10.166 12.527 -1.700 1.00 0.34 O ATOM 847 CB ARG A 59 7.573 12.181 -0.328 1.00 0.42 C ATOM 848 CG ARG A 59 6.472 12.546 0.656 1.00 0.64 C ATOM 849 CD ARG A 59 5.079 12.508 0.050 1.00 0.68 C ATOM 850 NE ARG A 59 4.073 12.695 1.095 1.00 1.41 N ATOM 851 CZ ARG A 59 2.847 13.185 0.915 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.419 13.524 -0.294 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.047 13.316 1.967 1.00 2.81 N ATOM 0 H ARG A 59 8.835 14.228 0.501 1.00 0.32 H new ATOM 0 HA ARG A 59 8.946 11.346 1.073 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.582 12.902 -1.145 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.359 11.206 -0.765 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.510 11.860 1.502 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.662 13.545 1.047 1.00 0.64 H new ATOM 0 HD2 ARG A 59 4.981 13.288 -0.705 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.919 11.555 -0.454 1.00 0.68 H new ATOM 0 HE ARG A 59 4.332 12.427 2.044 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.031 13.411 -1.102 1.00 1.78 H new ATOM 0 HH12 ARG A 59 1.478 13.898 -0.416 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.374 13.043 2.894 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.105 13.689 1.848 1.00 2.81 H new ATOM 867 N PRO A 60 10.911 10.869 -0.353 1.00 0.23 N ATOM 868 CA PRO A 60 12.084 10.508 -1.160 1.00 0.26 C ATOM 869 C PRO A 60 11.797 10.385 -2.653 1.00 0.26 C ATOM 870 O PRO A 60 10.746 9.892 -3.065 1.00 0.28 O ATOM 871 CB PRO A 60 12.514 9.145 -0.598 1.00 0.30 C ATOM 872 CG PRO A 60 11.435 8.744 0.357 1.00 0.28 C ATOM 873 CD PRO A 60 10.825 10.022 0.839 1.00 0.21 C ATOM 0 HA PRO A 60 12.845 11.286 -1.092 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.625 8.410 -1.395 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.478 9.216 -0.093 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.691 8.116 -0.134 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.842 8.167 1.187 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.795 9.884 1.168 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.374 10.445 1.680 1.00 0.21 H new ATOM 881 N VAL A 61 12.759 10.819 -3.457 1.00 0.29 N ATOM 882 CA VAL A 61 12.629 10.753 -4.903 1.00 0.31 C ATOM 883 C VAL A 61 13.165 9.415 -5.408 1.00 0.28 C ATOM 884 O VAL A 61 14.015 8.792 -4.770 1.00 0.27 O ATOM 885 CB VAL A 61 13.391 11.908 -5.599 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.048 11.982 -7.080 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.104 13.237 -4.917 1.00 0.88 C ATOM 0 H VAL A 61 13.638 11.220 -3.130 1.00 0.29 H new ATOM 0 HA VAL A 61 11.571 10.849 -5.147 1.00 0.31 H new ATOM 0 HB VAL A 61 14.457 11.700 -5.510 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.598 12.802 -7.540 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.322 11.045 -7.564 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.978 12.152 -7.198 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.651 14.032 -5.424 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.035 13.446 -4.962 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.420 13.187 -3.875 1.00 0.88 H new ATOM 897 N LYS A 62 12.658 8.967 -6.541 1.00 0.27 N ATOM 898 CA LYS A 62 13.098 7.717 -7.124 1.00 0.27 C ATOM 899 C LYS A 62 14.524 7.823 -7.619 1.00 0.25 C ATOM 900 O LYS A 62 14.846 8.620 -8.502 1.00 0.31 O ATOM 901 CB LYS A 62 12.148 7.263 -8.228 1.00 0.30 C ATOM 902 CG LYS A 62 10.838 6.734 -7.675 1.00 0.37 C ATOM 903 CD LYS A 62 10.002 6.060 -8.743 1.00 0.41 C ATOM 904 CE LYS A 62 9.018 5.084 -8.121 1.00 0.60 C ATOM 905 NZ LYS A 62 8.315 4.272 -9.144 1.00 1.17 N ATOM 0 H LYS A 62 11.939 9.453 -7.076 1.00 0.27 H new ATOM 0 HA LYS A 62 13.079 6.954 -6.346 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.946 8.099 -8.898 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.629 6.487 -8.823 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.043 6.024 -6.874 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.272 7.555 -7.236 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.461 6.813 -9.317 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.652 5.533 -9.441 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.548 4.423 -7.436 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.286 5.635 -7.530 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.321 4.573 -9.203 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.773 4.406 -10.068 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.357 3.267 -8.879 1.00 1.17 H new ATOM 919 N GLY A 63 15.372 7.020 -7.009 1.00 0.25 N ATOM 920 CA GLY A 63 16.780 7.059 -7.281 1.00 0.27 C ATOM 921 C GLY A 63 17.564 7.025 -5.997 1.00 0.30 C ATOM 922 O GLY A 63 18.703 6.565 -5.959 1.00 0.42 O ATOM 0 H GLY A 63 15.098 6.326 -6.314 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.059 6.212 -7.907 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.024 7.963 -7.840 1.00 0.27 H new ATOM 926 N GLN A 64 16.950 7.518 -4.928 1.00 0.26 N ATOM 927 CA GLN A 64 17.588 7.466 -3.622 1.00 0.28 C ATOM 928 C GLN A 64 17.505 6.051 -3.084 1.00 0.24 C ATOM 929 O GLN A 64 16.493 5.372 -3.266 1.00 0.24 O ATOM 930 CB GLN A 64 16.931 8.414 -2.606 1.00 0.30 C ATOM 931 CG GLN A 64 16.310 9.688 -3.168 1.00 0.36 C ATOM 932 CD GLN A 64 17.280 10.626 -3.876 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.240 10.089 -4.607 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.122 11.845 -3.804 1.00 0.43 N flip ATOM 0 H GLN A 64 16.027 7.951 -4.939 1.00 0.26 H new ATOM 0 HA GLN A 64 18.623 7.782 -3.755 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.155 7.861 -2.076 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.682 8.697 -1.868 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.522 9.411 -3.868 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.834 10.232 -2.352 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.371 12.229 -3.231 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.742 12.471 -4.318 1.00 0.43 H new ATOM 943 N VAL A 65 18.557 5.594 -2.441 1.00 0.28 N ATOM 944 CA VAL A 65 18.473 4.348 -1.725 1.00 0.31 C ATOM 945 C VAL A 65 17.949 4.658 -0.332 1.00 0.25 C ATOM 946 O VAL A 65 18.449 5.551 0.353 1.00 0.32 O ATOM 947 CB VAL A 65 19.814 3.571 -1.667 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.420 3.445 -3.055 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.795 4.210 -0.704 1.00 1.05 C ATOM 0 H VAL A 65 19.464 6.059 -2.401 1.00 0.28 H new ATOM 0 HA VAL A 65 17.796 3.682 -2.260 1.00 0.31 H new ATOM 0 HB VAL A 65 19.598 2.571 -1.291 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.360 2.897 -2.993 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.730 2.909 -3.706 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.606 4.439 -3.463 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.721 3.635 -0.693 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.005 5.231 -1.023 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.365 4.224 0.297 1.00 1.05 H new ATOM 959 N VAL A 66 16.900 3.981 0.053 1.00 0.19 N ATOM 960 CA VAL A 66 16.227 4.289 1.295 1.00 0.15 C ATOM 961 C VAL A 66 16.234 3.087 2.202 1.00 0.16 C ATOM 962 O VAL A 66 16.202 1.949 1.733 1.00 0.21 O ATOM 963 CB VAL A 66 14.774 4.750 1.051 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.727 6.003 0.186 1.00 0.18 C ATOM 965 CG2 VAL A 66 13.957 3.654 0.400 1.00 0.25 C ATOM 0 H VAL A 66 16.489 3.210 -0.474 1.00 0.19 H new ATOM 0 HA VAL A 66 16.768 5.107 1.771 1.00 0.15 H new ATOM 0 HB VAL A 66 14.344 4.982 2.025 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.690 6.301 0.033 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.267 6.809 0.683 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.191 5.797 -0.779 1.00 0.18 H new ATOM 0 HG21 VAL A 66 12.938 4.006 0.240 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.404 3.387 -0.558 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.940 2.778 1.049 1.00 0.25 H new ATOM 975 N THR A 67 16.314 3.342 3.492 1.00 0.13 N ATOM 976 CA THR A 67 16.271 2.281 4.459 1.00 0.15 C ATOM 977 C THR A 67 14.863 2.119 4.989 1.00 0.16 C ATOM 978 O THR A 67 14.343 2.989 5.697 1.00 0.21 O ATOM 979 CB THR A 67 17.223 2.556 5.629 1.00 0.20 C ATOM 980 OG1 THR A 67 16.985 3.864 6.158 1.00 0.29 O ATOM 981 CG2 THR A 67 18.672 2.437 5.199 1.00 0.27 C ATOM 0 H THR A 67 16.409 4.277 3.888 1.00 0.13 H new ATOM 0 HA THR A 67 16.587 1.364 3.962 1.00 0.15 H new ATOM 0 HB THR A 67 17.031 1.809 6.399 1.00 0.20 H new ATOM 0 HG1 THR A 67 16.025 4.059 6.130 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.322 2.638 6.051 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.860 1.429 4.829 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.877 3.158 4.408 1.00 0.27 H new ATOM 989 N VAL A 68 14.250 1.013 4.647 1.00 0.15 N ATOM 990 CA VAL A 68 12.932 0.708 5.143 1.00 0.15 C ATOM 991 C VAL A 68 12.987 -0.466 6.098 1.00 0.15 C ATOM 992 O VAL A 68 13.754 -1.389 5.908 1.00 0.17 O ATOM 993 CB VAL A 68 11.925 0.396 4.009 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.480 1.677 3.317 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.527 -0.563 2.997 1.00 0.19 C ATOM 0 H VAL A 68 14.645 0.307 4.025 1.00 0.15 H new ATOM 0 HA VAL A 68 12.582 1.600 5.663 1.00 0.15 H new ATOM 0 HB VAL A 68 11.053 -0.079 4.458 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.773 1.435 2.524 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.001 2.335 4.042 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.347 2.180 2.889 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.800 -0.766 2.211 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.420 -0.117 2.559 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.794 -1.496 3.494 1.00 0.19 H new ATOM 1005 N HIS A 69 12.181 -0.435 7.126 1.00 0.14 N ATOM 1006 CA HIS A 69 12.044 -1.598 7.968 1.00 0.15 C ATOM 1007 C HIS A 69 10.762 -2.279 7.573 1.00 0.14 C ATOM 1008 O HIS A 69 9.687 -1.732 7.777 1.00 0.15 O ATOM 1009 CB HIS A 69 12.007 -1.234 9.468 1.00 0.15 C ATOM 1010 CG HIS A 69 11.728 -2.425 10.363 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.075 -2.509 11.698 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.122 -3.599 10.079 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.692 -3.691 12.167 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.117 -4.359 11.206 1.00 0.18 N ATOM 0 H HIS A 69 11.616 0.369 7.400 1.00 0.14 H new ATOM 0 HA HIS A 69 12.907 -2.249 7.830 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.961 -0.790 9.751 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.241 -0.476 9.633 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.548 -1.782 12.235 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.712 -3.884 9.121 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.834 -4.042 13.179 1.00 0.18 H new ATOM 1023 N LEU A 70 10.865 -3.473 7.024 1.00 0.15 N ATOM 1024 CA LEU A 70 9.670 -4.175 6.635 1.00 0.16 C ATOM 1025 C LEU A 70 9.483 -5.432 7.458 1.00 0.15 C ATOM 1026 O LEU A 70 10.424 -6.168 7.745 1.00 0.21 O ATOM 1027 CB LEU A 70 9.639 -4.510 5.140 1.00 0.21 C ATOM 1028 CG LEU A 70 10.087 -5.922 4.761 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.654 -6.247 3.338 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.594 -6.078 4.890 1.00 0.38 C ATOM 0 H LEU A 70 11.741 -3.963 6.843 1.00 0.15 H new ATOM 0 HA LEU A 70 8.840 -3.496 6.831 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.622 -4.363 4.776 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.273 -3.796 4.614 1.00 0.21 H new ATOM 0 HG LEU A 70 9.612 -6.619 5.452 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.979 -7.255 3.080 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.568 -6.186 3.265 1.00 0.39 H new ATOM 0 HD13 LEU A 70 10.105 -5.533 2.649 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.880 -7.093 4.613 1.00 0.38 H new ATOM 0 HD22 LEU A 70 12.091 -5.368 4.229 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.893 -5.885 5.920 1.00 0.38 H new ATOM 1042 N GLN A 71 8.264 -5.611 7.886 1.00 0.13 N ATOM 1043 CA GLN A 71 7.805 -6.870 8.422 1.00 0.14 C ATOM 1044 C GLN A 71 6.480 -7.125 7.780 1.00 0.14 C ATOM 1045 O GLN A 71 5.511 -6.394 7.994 1.00 0.14 O ATOM 1046 CB GLN A 71 7.636 -6.843 9.935 1.00 0.15 C ATOM 1047 CG GLN A 71 8.527 -5.849 10.652 1.00 0.15 C ATOM 1048 CD GLN A 71 7.889 -4.490 10.815 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.949 -4.183 9.954 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.222 -3.740 11.729 1.00 0.18 N flip ATOM 0 H GLN A 71 7.551 -4.882 7.874 1.00 0.13 H new ATOM 0 HA GLN A 71 8.540 -7.648 8.214 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.596 -6.612 10.167 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.837 -7.840 10.328 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.783 -6.244 11.635 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.460 -5.742 10.099 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.959 -4.020 12.376 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.761 -2.837 11.841 1.00 0.18 H new ATOM 1059 N THR A 72 6.456 -8.138 6.982 1.00 0.15 N ATOM 1060 CA THR A 72 5.356 -8.371 6.108 1.00 0.16 C ATOM 1061 C THR A 72 4.491 -9.507 6.601 1.00 0.16 C ATOM 1062 O THR A 72 4.990 -10.575 6.948 1.00 0.17 O ATOM 1063 CB THR A 72 5.887 -8.682 4.719 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.698 -7.599 4.248 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.755 -8.930 3.765 1.00 0.19 C ATOM 0 H THR A 72 7.202 -8.831 6.917 1.00 0.15 H new ATOM 0 HA THR A 72 4.736 -7.475 6.079 1.00 0.16 H new ATOM 0 HB THR A 72 6.497 -9.584 4.776 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.037 -7.809 3.353 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.155 -9.151 2.775 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.163 -9.776 4.115 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.124 -8.043 3.711 1.00 0.19 H new ATOM 1073 N SER A 73 3.199 -9.263 6.618 1.00 0.17 N ATOM 1074 CA SER A 73 2.239 -10.230 7.080 1.00 0.17 C ATOM 1075 C SER A 73 1.427 -10.729 5.898 1.00 0.15 C ATOM 1076 O SER A 73 1.325 -10.060 4.873 1.00 0.26 O ATOM 1077 CB SER A 73 1.306 -9.584 8.111 1.00 0.23 C ATOM 1078 OG SER A 73 1.907 -8.434 8.694 1.00 1.06 O ATOM 0 H SER A 73 2.787 -8.382 6.309 1.00 0.17 H new ATOM 0 HA SER A 73 2.759 -11.066 7.547 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.367 -9.305 7.632 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.064 -10.307 8.890 1.00 0.23 H new ATOM 0 HG SER A 73 1.894 -7.696 8.049 1.00 1.06 H new ATOM 1084 N LEU A 74 0.871 -11.903 6.044 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.018 -12.461 5.053 1.00 0.18 C ATOM 1086 C LEU A 74 -1.404 -11.872 5.217 1.00 0.19 C ATOM 1087 O LEU A 74 -1.692 -11.243 6.234 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.062 -13.978 5.197 1.00 0.22 C ATOM 1089 CG LEU A 74 1.226 -14.692 4.812 1.00 0.38 C ATOM 1090 CD1 LEU A 74 0.964 -16.168 4.560 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.865 -14.026 3.599 1.00 0.72 C ATOM 0 H LEU A 74 1.021 -12.503 6.855 1.00 0.19 H new ATOM 0 HA LEU A 74 0.349 -12.215 4.057 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.302 -14.224 6.231 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.874 -14.364 4.580 1.00 0.22 H new ATOM 0 HG LEU A 74 1.928 -14.616 5.642 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.896 -16.661 4.286 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.563 -16.626 5.464 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.244 -16.276 3.749 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.785 -14.550 3.338 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.174 -14.065 2.757 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.094 -12.986 3.833 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.248 -12.059 4.210 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.647 -11.645 4.276 1.00 0.26 C ATOM 1105 C GLU A 75 -4.339 -12.223 5.512 1.00 0.32 C ATOM 1106 O GLU A 75 -5.364 -11.710 5.965 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.381 -12.093 3.013 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.160 -13.557 2.667 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.878 -13.965 1.400 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.774 -13.239 0.394 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.562 -15.009 1.416 1.00 1.14 O ATOM 0 H GLU A 75 -1.986 -12.499 3.328 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.676 -10.558 4.349 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.449 -11.916 3.141 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.054 -11.477 2.175 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.092 -13.743 2.552 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.505 -14.179 3.493 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.764 -13.297 6.051 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.314 -13.963 7.227 1.00 0.41 C ATOM 1120 C ASN A 76 -3.708 -13.386 8.504 1.00 0.39 C ATOM 1121 O ASN A 76 -4.144 -13.709 9.608 1.00 0.51 O ATOM 1122 CB ASN A 76 -4.050 -15.473 7.160 1.00 0.50 C ATOM 1123 CG ASN A 76 -4.487 -16.079 5.846 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -5.661 -16.402 5.655 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -3.539 -16.256 4.937 1.00 1.13 N ATOM 0 H ASN A 76 -2.912 -13.725 5.688 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.390 -13.793 7.242 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.986 -15.659 7.306 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.576 -15.967 7.977 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.768 -16.675 4.036 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.580 -15.973 5.139 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.698 -12.534 8.349 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.055 -11.915 9.498 1.00 0.32 C ATOM 1134 C GLY A 77 -0.679 -12.492 9.781 1.00 0.32 C ATOM 1135 O GLY A 77 0.075 -11.953 10.586 1.00 0.51 O ATOM 0 H GLY A 77 -2.312 -12.260 7.446 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.966 -10.842 9.325 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.687 -12.045 10.377 1.00 0.32 H new ATOM 1139 N THR A 78 -0.349 -13.573 9.093 1.00 0.28 N ATOM 1140 CA THR A 78 0.893 -14.295 9.329 1.00 0.28 C ATOM 1141 C THR A 78 2.096 -13.544 8.773 1.00 0.23 C ATOM 1142 O THR A 78 2.269 -13.454 7.564 1.00 0.21 O ATOM 1143 CB THR A 78 0.833 -15.686 8.673 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.465 -16.253 8.873 1.00 0.46 O ATOM 1145 CG2 THR A 78 1.888 -16.615 9.253 1.00 0.39 C ATOM 0 H THR A 78 -0.931 -13.974 8.358 1.00 0.28 H new ATOM 0 HA THR A 78 1.009 -14.391 10.409 1.00 0.28 H new ATOM 0 HB THR A 78 1.029 -15.570 7.607 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.504 -17.138 8.454 1.00 0.46 H new ATOM 0 HG21 THR A 78 1.820 -17.590 8.769 1.00 0.39 H new ATOM 0 HG22 THR A 78 2.878 -16.193 9.082 1.00 0.39 H new ATOM 0 HG23 THR A 78 1.723 -16.729 10.324 1.00 0.39 H new ATOM 1153 N ARG A 79 2.923 -13.011 9.652 1.00 0.24 N ATOM 1154 CA ARG A 79 4.125 -12.314 9.228 1.00 0.22 C ATOM 1155 C ARG A 79 5.187 -13.303 8.792 1.00 0.24 C ATOM 1156 O ARG A 79 5.563 -14.206 9.538 1.00 0.33 O ATOM 1157 CB ARG A 79 4.633 -11.395 10.324 1.00 0.25 C ATOM 1158 CG ARG A 79 3.710 -10.217 10.537 1.00 0.25 C ATOM 1159 CD ARG A 79 4.493 -8.972 10.900 1.00 0.28 C ATOM 1160 NE ARG A 79 3.663 -7.764 10.891 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.065 -6.583 11.367 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.251 -6.471 11.948 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.283 -5.514 11.263 1.00 0.47 N ATOM 0 H ARG A 79 2.786 -13.046 10.662 1.00 0.24 H new ATOM 0 HA ARG A 79 3.879 -11.690 8.369 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.728 -11.956 11.254 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.629 -11.035 10.065 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.131 -10.036 9.631 1.00 0.25 H new ATOM 0 HG3 ARG A 79 2.998 -10.447 11.330 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.933 -9.099 11.889 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.317 -8.848 10.198 1.00 0.28 H new ATOM 0 HE ARG A 79 2.724 -7.829 10.498 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.857 -7.287 12.032 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.558 -5.569 12.311 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.369 -5.592 10.817 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.597 -4.615 11.629 1.00 0.47 H new ATOM 1177 N VAL A 80 5.650 -13.119 7.569 1.00 0.20 N ATOM 1178 CA VAL A 80 6.479 -14.107 6.898 1.00 0.22 C ATOM 1179 C VAL A 80 7.908 -13.625 6.675 1.00 0.21 C ATOM 1180 O VAL A 80 8.774 -14.396 6.256 1.00 0.27 O ATOM 1181 CB VAL A 80 5.861 -14.481 5.538 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.491 -15.099 5.728 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.773 -13.264 4.632 1.00 0.22 C ATOM 0 H VAL A 80 5.464 -12.284 7.013 1.00 0.20 H new ATOM 0 HA VAL A 80 6.518 -14.977 7.554 1.00 0.22 H new ATOM 0 HB VAL A 80 6.510 -15.216 5.061 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.070 -15.357 4.756 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.579 -16.000 6.336 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.837 -14.386 6.229 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.333 -13.552 3.677 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.150 -12.504 5.103 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.772 -12.862 4.465 1.00 0.22 H new ATOM 1193 N GLN A 81 8.147 -12.352 6.933 1.00 0.18 N ATOM 1194 CA GLN A 81 9.456 -11.763 6.696 1.00 0.19 C ATOM 1195 C GLN A 81 9.615 -10.493 7.517 1.00 0.19 C ATOM 1196 O GLN A 81 8.716 -9.650 7.538 1.00 0.26 O ATOM 1197 CB GLN A 81 9.634 -11.465 5.200 1.00 0.23 C ATOM 1198 CG GLN A 81 8.557 -10.555 4.621 1.00 0.23 C ATOM 1199 CD GLN A 81 8.588 -10.495 3.109 1.00 0.37 C ATOM 1200 OE1 GLN A 81 7.810 -11.356 2.479 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.282 -9.672 2.514 1.00 0.50 N flip ATOM 0 H GLN A 81 7.453 -11.705 7.307 1.00 0.18 H new ATOM 0 HA GLN A 81 10.226 -12.471 7.003 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.609 -11.003 5.045 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.636 -12.406 4.649 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.578 -10.907 4.946 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.684 -9.549 5.022 1.00 0.23 H new ATOM 0 HE21 GLN A 81 9.869 -9.025 3.040 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.270 -9.637 1.495 1.00 0.50 H new ATOM 1210 N GLU A 82 10.743 -10.366 8.199 1.00 0.24 N ATOM 1211 CA GLU A 82 10.993 -9.209 9.041 1.00 0.24 C ATOM 1212 C GLU A 82 12.443 -8.769 8.930 1.00 0.25 C ATOM 1213 O GLU A 82 13.363 -9.524 9.255 1.00 0.41 O ATOM 1214 CB GLU A 82 10.648 -9.527 10.493 1.00 0.35 C ATOM 1215 CG GLU A 82 10.748 -8.330 11.417 1.00 0.44 C ATOM 1216 CD GLU A 82 10.130 -8.586 12.776 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.275 -9.490 12.884 1.00 1.21 O ATOM 1218 OE2 GLU A 82 10.487 -7.881 13.739 1.00 1.34 O ATOM 0 H GLU A 82 11.499 -11.051 8.185 1.00 0.24 H new ATOM 0 HA GLU A 82 10.358 -8.392 8.700 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.635 -9.926 10.538 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.315 -10.310 10.853 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.797 -8.061 11.544 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.254 -7.476 10.953 1.00 0.44 H new ATOM 1225 N GLU A 83 12.635 -7.551 8.464 1.00 0.22 N ATOM 1226 CA GLU A 83 13.958 -6.984 8.301 1.00 0.26 C ATOM 1227 C GLU A 83 13.975 -5.536 8.775 1.00 0.23 C ATOM 1228 O GLU A 83 13.223 -4.695 8.281 1.00 0.24 O ATOM 1229 CB GLU A 83 14.410 -7.123 6.838 1.00 0.39 C ATOM 1230 CG GLU A 83 15.318 -6.010 6.338 1.00 1.20 C ATOM 1231 CD GLU A 83 16.070 -6.404 5.082 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.476 -6.360 3.988 1.00 2.59 O ATOM 1233 OE2 GLU A 83 17.255 -6.785 5.189 1.00 1.69 O ATOM 0 H GLU A 83 11.877 -6.926 8.188 1.00 0.22 H new ATOM 0 HA GLU A 83 14.670 -7.532 8.919 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.929 -8.075 6.723 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.525 -7.163 6.202 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.722 -5.120 6.138 1.00 1.20 H new ATOM 0 HG3 GLU A 83 16.031 -5.747 7.119 1.00 1.20 H new ATOM 1240 N PRO A 84 14.837 -5.245 9.762 1.00 0.23 N ATOM 1241 CA PRO A 84 14.906 -3.939 10.419 1.00 0.21 C ATOM 1242 C PRO A 84 15.490 -2.849 9.531 1.00 0.19 C ATOM 1243 O PRO A 84 15.374 -1.660 9.840 1.00 0.20 O ATOM 1244 CB PRO A 84 15.821 -4.177 11.632 1.00 0.25 C ATOM 1245 CG PRO A 84 16.014 -5.656 11.714 1.00 0.50 C ATOM 1246 CD PRO A 84 15.821 -6.179 10.322 1.00 0.31 C ATOM 0 HA PRO A 84 13.909 -3.584 10.680 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.775 -3.665 11.508 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.368 -3.791 12.545 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.009 -5.899 12.087 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.297 -6.105 12.402 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.752 -6.175 9.755 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.452 -7.205 10.322 1.00 0.31 H new ATOM 1254 N GLU A 85 16.105 -3.241 8.427 1.00 0.20 N ATOM 1255 CA GLU A 85 16.715 -2.271 7.536 1.00 0.22 C ATOM 1256 C GLU A 85 16.956 -2.848 6.158 1.00 0.24 C ATOM 1257 O GLU A 85 17.854 -3.659 5.938 1.00 0.35 O ATOM 1258 CB GLU A 85 18.016 -1.732 8.130 1.00 0.31 C ATOM 1259 CG GLU A 85 18.640 -0.606 7.325 1.00 0.34 C ATOM 1260 CD GLU A 85 19.598 0.215 8.155 1.00 0.90 C ATOM 1261 OE1 GLU A 85 19.148 1.164 8.831 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.812 -0.079 8.111 1.00 1.30 O ATOM 0 H GLU A 85 16.194 -4.213 8.130 1.00 0.20 H new ATOM 0 HA GLU A 85 16.014 -1.443 7.427 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.822 -1.378 9.142 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.733 -2.549 8.210 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.168 -1.022 6.467 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.854 0.039 6.933 1.00 0.34 H new ATOM 1269 N LEU A 86 16.114 -2.410 5.255 1.00 0.23 N ATOM 1270 CA LEU A 86 16.166 -2.769 3.865 1.00 0.24 C ATOM 1271 C LEU A 86 16.480 -1.533 3.037 1.00 0.23 C ATOM 1272 O LEU A 86 15.658 -0.630 2.935 1.00 0.25 O ATOM 1273 CB LEU A 86 14.806 -3.336 3.449 1.00 0.26 C ATOM 1274 CG LEU A 86 14.578 -3.453 1.948 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.577 -4.414 1.343 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.154 -3.899 1.647 1.00 0.38 C ATOM 0 H LEU A 86 15.349 -1.773 5.478 1.00 0.23 H new ATOM 0 HA LEU A 86 16.942 -3.517 3.702 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.692 -4.324 3.895 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.024 -2.704 3.870 1.00 0.26 H new ATOM 0 HG LEU A 86 14.723 -2.470 1.500 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.405 -4.490 0.269 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.588 -4.049 1.523 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.459 -5.397 1.800 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.017 -3.975 0.568 1.00 0.38 H new ATOM 0 HD22 LEU A 86 12.973 -4.871 2.105 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.451 -3.171 2.052 1.00 0.38 H new ATOM 1288 N VAL A 87 17.666 -1.471 2.469 1.00 0.24 N ATOM 1289 CA VAL A 87 18.031 -0.335 1.643 1.00 0.22 C ATOM 1290 C VAL A 87 17.985 -0.734 0.168 1.00 0.21 C ATOM 1291 O VAL A 87 18.501 -1.783 -0.220 1.00 0.28 O ATOM 1292 CB VAL A 87 19.423 0.222 2.026 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.528 -0.777 1.731 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.688 1.548 1.331 1.00 0.94 C ATOM 0 H VAL A 87 18.389 -2.185 2.561 1.00 0.24 H new ATOM 0 HA VAL A 87 17.309 0.463 1.816 1.00 0.22 H new ATOM 0 HB VAL A 87 19.420 0.396 3.102 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.490 -0.349 2.013 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.355 -1.690 2.301 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.533 -1.010 0.666 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.673 1.918 1.617 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.653 1.406 0.251 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.928 2.272 1.626 1.00 0.94 H new ATOM 1304 N PHE A 88 17.333 0.079 -0.644 1.00 0.17 N ATOM 1305 CA PHE A 88 17.146 -0.254 -2.053 1.00 0.19 C ATOM 1306 C PHE A 88 17.047 0.999 -2.902 1.00 0.20 C ATOM 1307 O PHE A 88 16.734 2.076 -2.394 1.00 0.23 O ATOM 1308 CB PHE A 88 15.886 -1.099 -2.229 1.00 0.21 C ATOM 1309 CG PHE A 88 14.614 -0.364 -1.926 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.153 -0.272 -0.624 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.885 0.239 -2.937 1.00 0.17 C ATOM 1312 CE1 PHE A 88 12.993 0.409 -0.333 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.725 0.926 -2.651 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.250 0.976 -1.388 1.00 0.15 C ATOM 0 H PHE A 88 16.925 0.969 -0.359 1.00 0.17 H new ATOM 0 HA PHE A 88 18.014 -0.824 -2.383 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.847 -1.466 -3.255 1.00 0.21 H new ATOM 0 HB3 PHE A 88 15.953 -1.973 -1.580 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.711 -0.741 0.173 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.228 0.170 -3.959 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.657 0.507 0.689 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.191 1.429 -3.444 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.301 1.450 -1.186 1.00 0.15 H new ATOM 1324 N THR A 89 17.315 0.845 -4.190 1.00 0.23 N ATOM 1325 CA THR A 89 17.206 1.941 -5.136 1.00 0.25 C ATOM 1326 C THR A 89 15.738 2.197 -5.480 1.00 0.21 C ATOM 1327 O THR A 89 15.092 1.375 -6.132 1.00 0.22 O ATOM 1328 CB THR A 89 17.992 1.629 -6.424 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.287 1.108 -6.089 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.156 2.883 -7.269 1.00 0.37 C ATOM 0 H THR A 89 17.612 -0.038 -4.605 1.00 0.23 H new ATOM 0 HA THR A 89 17.629 2.833 -4.674 1.00 0.25 H new ATOM 0 HB THR A 89 17.434 0.888 -6.997 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.782 0.910 -6.911 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.714 2.642 -8.174 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.174 3.270 -7.540 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.698 3.637 -6.699 1.00 0.37 H new ATOM 1338 N LEU A 90 15.211 3.318 -5.003 1.00 0.19 N ATOM 1339 CA LEU A 90 13.828 3.695 -5.274 1.00 0.16 C ATOM 1340 C LEU A 90 13.610 3.891 -6.772 1.00 0.15 C ATOM 1341 O LEU A 90 14.430 4.515 -7.440 1.00 0.18 O ATOM 1342 CB LEU A 90 13.486 4.991 -4.536 1.00 0.16 C ATOM 1343 CG LEU A 90 11.996 5.294 -4.426 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.276 4.152 -3.736 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.774 6.597 -3.679 1.00 0.60 C ATOM 0 H LEU A 90 15.722 3.985 -4.424 1.00 0.19 H new ATOM 0 HA LEU A 90 13.178 2.893 -4.924 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.907 4.942 -3.532 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.974 5.822 -5.046 1.00 0.16 H new ATOM 0 HG LEU A 90 11.587 5.402 -5.431 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.213 4.382 -3.665 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.411 3.236 -4.311 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.686 4.015 -2.735 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.705 6.799 -3.609 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.195 6.518 -2.677 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.263 7.411 -4.214 1.00 0.60 H new ATOM 1357 N GLY A 91 12.532 3.336 -7.300 1.00 0.20 N ATOM 1358 CA GLY A 91 12.199 3.543 -8.693 1.00 0.23 C ATOM 1359 C GLY A 91 12.930 2.592 -9.610 1.00 0.26 C ATOM 1360 O GLY A 91 12.796 2.665 -10.833 1.00 0.37 O ATOM 0 H GLY A 91 11.879 2.744 -6.787 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.125 3.419 -8.829 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.440 4.569 -8.972 1.00 0.23 H new ATOM 1364 N ASP A 92 13.689 1.684 -9.019 1.00 0.27 N ATOM 1365 CA ASP A 92 14.514 0.761 -9.784 1.00 0.32 C ATOM 1366 C ASP A 92 13.904 -0.625 -9.756 1.00 0.30 C ATOM 1367 O ASP A 92 14.395 -1.548 -10.410 1.00 0.37 O ATOM 1368 CB ASP A 92 15.938 0.733 -9.216 1.00 0.42 C ATOM 1369 CG ASP A 92 16.913 -0.046 -10.077 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.388 0.507 -11.090 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.225 -1.203 -9.733 1.00 0.82 O ATOM 0 H ASP A 92 13.752 1.565 -8.008 1.00 0.27 H new ATOM 0 HA ASP A 92 14.560 1.100 -10.819 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.298 1.756 -9.107 1.00 0.42 H new ATOM 0 HB3 ASP A 92 15.915 0.295 -8.218 1.00 0.42 H new ATOM 1376 N CYS A 93 12.800 -0.752 -9.018 1.00 0.28 N ATOM 1377 CA CYS A 93 12.196 -2.050 -8.766 1.00 0.27 C ATOM 1378 C CYS A 93 13.210 -2.932 -8.061 1.00 0.26 C ATOM 1379 O CYS A 93 13.260 -4.145 -8.271 1.00 0.31 O ATOM 1380 CB CYS A 93 11.738 -2.709 -10.069 1.00 0.38 C ATOM 1381 SG CYS A 93 10.702 -1.654 -11.106 1.00 0.62 S ATOM 0 H CYS A 93 12.310 0.032 -8.587 1.00 0.28 H new ATOM 0 HA CYS A 93 11.316 -1.917 -8.137 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.617 -3.010 -10.639 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.187 -3.618 -9.829 1.00 0.38 H new ATOM 0 HG CYS A 93 10.367 -2.299 -12.184 1.00 0.62 H new ATOM 1387 N ASP A 94 14.006 -2.307 -7.196 1.00 0.27 N ATOM 1388 CA ASP A 94 15.045 -3.001 -6.460 1.00 0.33 C ATOM 1389 C ASP A 94 14.387 -3.841 -5.371 1.00 0.33 C ATOM 1390 O ASP A 94 15.035 -4.581 -4.630 1.00 0.48 O ATOM 1391 CB ASP A 94 16.000 -1.964 -5.862 1.00 0.41 C ATOM 1392 CG ASP A 94 17.419 -2.468 -5.709 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.845 -3.327 -6.512 1.00 0.96 O ATOM 1394 OD2 ASP A 94 18.135 -1.957 -4.823 1.00 1.33 O ATOM 0 H ASP A 94 13.945 -1.310 -6.990 1.00 0.27 H new ATOM 0 HA ASP A 94 15.617 -3.661 -7.112 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.004 -1.077 -6.496 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.625 -1.656 -4.886 1.00 0.41 H new ATOM 1399 N VAL A 95 13.067 -3.700 -5.310 1.00 0.23 N ATOM 1400 CA VAL A 95 12.220 -4.378 -4.347 1.00 0.21 C ATOM 1401 C VAL A 95 10.938 -4.836 -5.024 1.00 0.20 C ATOM 1402 O VAL A 95 10.906 -5.037 -6.236 1.00 0.22 O ATOM 1403 CB VAL A 95 11.848 -3.428 -3.198 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.028 -3.226 -2.276 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.367 -2.092 -3.756 1.00 0.19 C ATOM 0 H VAL A 95 12.548 -3.095 -5.947 1.00 0.23 H new ATOM 0 HA VAL A 95 12.767 -5.234 -3.953 1.00 0.21 H new ATOM 0 HB VAL A 95 11.038 -3.876 -2.622 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.747 -2.551 -1.468 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.331 -4.186 -1.858 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.858 -2.796 -2.836 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.106 -1.427 -2.933 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.160 -1.639 -4.351 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.490 -2.254 -4.383 1.00 0.19 H new ATOM 1415 N ILE A 96 9.878 -4.973 -4.243 1.00 0.19 N ATOM 1416 CA ILE A 96 8.578 -5.249 -4.790 1.00 0.19 C ATOM 1417 C ILE A 96 7.985 -3.929 -5.225 1.00 0.16 C ATOM 1418 O ILE A 96 8.136 -2.920 -4.532 1.00 0.15 O ATOM 1419 CB ILE A 96 7.658 -5.949 -3.769 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.475 -5.089 -2.513 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.230 -7.309 -3.401 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.542 -5.697 -1.486 1.00 0.29 C ATOM 0 H ILE A 96 9.903 -4.896 -3.226 1.00 0.19 H new ATOM 0 HA ILE A 96 8.672 -5.933 -5.634 1.00 0.19 H new ATOM 0 HB ILE A 96 6.679 -6.087 -4.227 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.449 -4.923 -2.052 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.091 -4.112 -2.806 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.574 -7.796 -2.680 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.307 -7.926 -4.296 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.220 -7.181 -2.963 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.463 -5.031 -0.627 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.556 -5.837 -1.928 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.935 -6.661 -1.163 1.00 0.29 H new ATOM 1434 N GLN A 97 7.352 -3.920 -6.377 1.00 0.17 N ATOM 1435 CA GLN A 97 6.876 -2.677 -6.968 1.00 0.17 C ATOM 1436 C GLN A 97 5.927 -1.949 -6.023 1.00 0.16 C ATOM 1437 O GLN A 97 5.873 -0.722 -6.013 1.00 0.16 O ATOM 1438 CB GLN A 97 6.194 -2.930 -8.305 1.00 0.19 C ATOM 1439 CG GLN A 97 6.108 -1.678 -9.160 1.00 0.25 C ATOM 1440 CD GLN A 97 7.450 -1.286 -9.766 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.270 -0.558 -9.018 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.767 -1.665 -10.891 1.00 0.32 N flip ATOM 0 H GLN A 97 7.152 -4.755 -6.927 1.00 0.17 H new ATOM 0 HA GLN A 97 7.746 -2.043 -7.140 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.741 -3.700 -8.848 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.190 -3.316 -8.130 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.386 -1.839 -9.960 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.733 -0.854 -8.553 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.116 -2.223 -11.443 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.681 -1.421 -11.273 1.00 0.32 H new ATOM 1451 N ALA A 98 5.199 -2.715 -5.219 1.00 0.17 N ATOM 1452 CA ALA A 98 4.335 -2.152 -4.189 1.00 0.18 C ATOM 1453 C ALA A 98 5.111 -1.206 -3.290 1.00 0.17 C ATOM 1454 O ALA A 98 4.688 -0.082 -3.034 1.00 0.20 O ATOM 1455 CB ALA A 98 3.750 -3.265 -3.353 1.00 0.20 C ATOM 0 H ALA A 98 5.190 -3.734 -5.262 1.00 0.17 H new ATOM 0 HA ALA A 98 3.536 -1.594 -4.678 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.104 -2.841 -2.584 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.167 -3.931 -3.990 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.556 -3.828 -2.881 1.00 0.20 H new ATOM 1461 N LEU A 99 6.263 -1.672 -2.837 1.00 0.17 N ATOM 1462 CA LEU A 99 7.094 -0.901 -1.921 1.00 0.17 C ATOM 1463 C LEU A 99 7.759 0.251 -2.650 1.00 0.15 C ATOM 1464 O LEU A 99 7.883 1.354 -2.123 1.00 0.15 O ATOM 1465 CB LEU A 99 8.171 -1.772 -1.289 1.00 0.19 C ATOM 1466 CG LEU A 99 9.069 -1.031 -0.298 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.235 -0.391 0.800 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.105 -1.964 0.301 1.00 0.22 C ATOM 0 H LEU A 99 6.647 -2.583 -3.088 1.00 0.17 H new ATOM 0 HA LEU A 99 6.443 -0.515 -1.136 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.694 -2.607 -0.776 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.791 -2.195 -2.079 1.00 0.19 H new ATOM 0 HG LEU A 99 9.594 -0.245 -0.841 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.890 0.132 1.496 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.535 0.318 0.358 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.681 -1.164 1.333 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.730 -1.411 1.002 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.603 -2.777 0.826 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.727 -2.375 -0.494 1.00 0.22 H new ATOM 1480 N ASP A 100 8.160 -0.027 -3.877 1.00 0.15 N ATOM 1481 CA ASP A 100 8.891 0.922 -4.703 1.00 0.16 C ATOM 1482 C ASP A 100 8.035 2.156 -4.946 1.00 0.15 C ATOM 1483 O ASP A 100 8.542 3.264 -5.106 1.00 0.16 O ATOM 1484 CB ASP A 100 9.269 0.235 -6.021 1.00 0.17 C ATOM 1485 CG ASP A 100 10.029 1.129 -6.981 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.377 1.934 -7.677 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.277 1.061 -7.012 1.00 0.21 O ATOM 0 H ASP A 100 7.988 -0.923 -4.333 1.00 0.15 H new ATOM 0 HA ASP A 100 9.803 1.244 -4.200 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.875 -0.644 -5.801 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.361 -0.118 -6.510 1.00 0.17 H new ATOM 1492 N LEU A 101 6.726 1.945 -4.964 1.00 0.16 N ATOM 1493 CA LEU A 101 5.769 3.022 -5.116 1.00 0.16 C ATOM 1494 C LEU A 101 5.352 3.603 -3.760 1.00 0.15 C ATOM 1495 O LEU A 101 5.123 4.810 -3.632 1.00 0.16 O ATOM 1496 CB LEU A 101 4.549 2.498 -5.868 1.00 0.19 C ATOM 1497 CG LEU A 101 4.833 1.901 -7.247 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.551 1.383 -7.878 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.501 2.925 -8.147 1.00 0.25 C ATOM 0 H LEU A 101 6.302 1.022 -4.873 1.00 0.16 H new ATOM 0 HA LEU A 101 6.237 3.828 -5.681 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.065 1.738 -5.255 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.837 3.315 -5.984 1.00 0.19 H new ATOM 0 HG LEU A 101 5.517 1.061 -7.124 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.772 0.962 -8.859 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.118 0.612 -7.241 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.842 2.204 -7.987 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.695 2.480 -9.123 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.846 3.788 -8.265 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.443 3.243 -7.700 1.00 0.25 H new ATOM 1511 N SER A 102 5.267 2.743 -2.751 1.00 0.15 N ATOM 1512 CA SER A 102 4.803 3.140 -1.431 1.00 0.17 C ATOM 1513 C SER A 102 5.742 4.161 -0.797 1.00 0.15 C ATOM 1514 O SER A 102 5.299 5.075 -0.108 1.00 0.18 O ATOM 1515 CB SER A 102 4.681 1.908 -0.529 1.00 0.23 C ATOM 1516 OG SER A 102 4.336 2.267 0.799 1.00 1.01 O ATOM 0 H SER A 102 5.517 1.757 -2.826 1.00 0.15 H new ATOM 0 HA SER A 102 3.824 3.607 -1.542 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.925 1.234 -0.933 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.625 1.363 -0.526 1.00 0.23 H new ATOM 0 HG SER A 102 4.948 1.828 1.426 1.00 1.01 H new ATOM 1522 N VAL A 103 7.032 4.001 -1.045 1.00 0.15 N ATOM 1523 CA VAL A 103 8.041 4.857 -0.440 1.00 0.16 C ATOM 1524 C VAL A 103 7.898 6.323 -0.852 1.00 0.16 C ATOM 1525 O VAL A 103 7.779 7.181 0.009 1.00 0.18 O ATOM 1526 CB VAL A 103 9.444 4.352 -0.776 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.505 5.381 -0.408 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.710 3.039 -0.060 1.00 0.19 C ATOM 0 H VAL A 103 7.407 3.282 -1.664 1.00 0.15 H new ATOM 0 HA VAL A 103 7.885 4.810 0.638 1.00 0.16 H new ATOM 0 HB VAL A 103 9.497 4.189 -1.852 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.492 4.992 -0.659 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.326 6.302 -0.962 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.457 5.586 0.661 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.712 2.687 -0.306 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.632 3.189 1.017 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.977 2.297 -0.377 1.00 0.19 H new ATOM 1538 N PRO A 104 7.902 6.646 -2.161 1.00 0.17 N ATOM 1539 CA PRO A 104 7.683 8.024 -2.621 1.00 0.21 C ATOM 1540 C PRO A 104 6.281 8.529 -2.279 1.00 0.19 C ATOM 1541 O PRO A 104 6.021 9.733 -2.264 1.00 0.22 O ATOM 1542 CB PRO A 104 7.879 7.941 -4.139 1.00 0.27 C ATOM 1543 CG PRO A 104 7.694 6.502 -4.474 1.00 0.21 C ATOM 1544 CD PRO A 104 8.174 5.737 -3.284 1.00 0.17 C ATOM 0 HA PRO A 104 8.363 8.727 -2.139 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.156 8.565 -4.665 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.870 8.289 -4.428 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.647 6.282 -4.683 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.261 6.233 -5.365 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.643 4.792 -3.173 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.235 5.499 -3.361 1.00 0.17 H new ATOM 1552 N LEU A 105 5.376 7.598 -2.017 1.00 0.18 N ATOM 1553 CA LEU A 105 4.045 7.945 -1.539 1.00 0.19 C ATOM 1554 C LEU A 105 4.042 8.183 -0.032 1.00 0.22 C ATOM 1555 O LEU A 105 3.071 8.692 0.527 1.00 0.32 O ATOM 1556 CB LEU A 105 3.058 6.831 -1.875 1.00 0.18 C ATOM 1557 CG LEU A 105 2.532 6.833 -3.307 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.371 5.868 -3.442 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.105 8.230 -3.728 1.00 0.64 C ATOM 0 H LEU A 105 5.538 6.597 -2.127 1.00 0.18 H new ATOM 0 HA LEU A 105 3.744 8.867 -2.037 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.540 5.872 -1.684 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.210 6.903 -1.194 1.00 0.18 H new ATOM 0 HG LEU A 105 3.339 6.510 -3.965 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.006 5.880 -4.469 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.703 4.862 -3.186 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.569 6.168 -2.768 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.734 8.204 -4.753 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.316 8.584 -3.065 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.959 8.905 -3.668 1.00 0.64 H new ATOM 1571 N MET A 106 5.114 7.779 0.621 1.00 0.20 N ATOM 1572 CA MET A 106 5.234 7.914 2.059 1.00 0.24 C ATOM 1573 C MET A 106 6.230 9.020 2.418 1.00 0.21 C ATOM 1574 O MET A 106 7.119 9.349 1.633 1.00 0.26 O ATOM 1575 CB MET A 106 5.652 6.557 2.651 1.00 0.33 C ATOM 1576 CG MET A 106 7.092 6.487 3.123 1.00 0.53 C ATOM 1577 SD MET A 106 7.678 4.788 3.297 1.00 0.78 S ATOM 1578 CE MET A 106 6.570 4.175 4.556 1.00 0.54 C ATOM 0 H MET A 106 5.923 7.350 0.172 1.00 0.20 H new ATOM 0 HA MET A 106 4.274 8.203 2.486 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.997 6.325 3.491 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.492 5.784 1.900 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.729 7.018 2.416 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.183 7.000 4.081 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.144 3.887 5.437 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.859 4.956 4.826 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.030 3.308 4.175 1.00 0.54 H new ATOM 1588 N ASP A 107 6.067 9.605 3.595 1.00 0.18 N ATOM 1589 CA ASP A 107 6.956 10.666 4.046 1.00 0.18 C ATOM 1590 C ASP A 107 8.135 10.085 4.803 1.00 0.14 C ATOM 1591 O ASP A 107 8.043 9.001 5.388 1.00 0.13 O ATOM 1592 CB ASP A 107 6.211 11.662 4.942 1.00 0.25 C ATOM 1593 CG ASP A 107 5.395 12.668 4.157 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.293 12.300 3.691 1.00 0.92 O ATOM 1595 OD2 ASP A 107 5.839 13.826 4.010 1.00 0.97 O ATOM 0 H ASP A 107 5.328 9.363 4.255 1.00 0.18 H new ATOM 0 HA ASP A 107 7.320 11.193 3.164 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.552 11.114 5.615 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.932 12.193 5.564 1.00 0.25 H new ATOM 1600 N VAL A 108 9.254 10.794 4.785 1.00 0.16 N ATOM 1601 CA VAL A 108 10.425 10.350 5.514 1.00 0.16 C ATOM 1602 C VAL A 108 10.131 10.317 7.006 1.00 0.15 C ATOM 1603 O VAL A 108 9.636 11.278 7.596 1.00 0.19 O ATOM 1604 CB VAL A 108 11.671 11.229 5.218 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.703 12.501 6.056 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.945 10.427 5.418 1.00 0.80 C ATOM 0 H VAL A 108 9.372 11.671 4.278 1.00 0.16 H new ATOM 0 HA VAL A 108 10.661 9.342 5.174 1.00 0.16 H new ATOM 0 HB VAL A 108 11.602 11.539 4.175 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.595 13.077 5.809 1.00 0.68 H new ATOM 0 HG12 VAL A 108 10.815 13.098 5.846 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.722 12.239 7.114 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.809 11.057 5.207 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.996 10.076 6.449 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.946 9.571 4.743 1.00 0.80 H new ATOM 1616 N GLY A 109 10.392 9.172 7.590 1.00 0.15 N ATOM 1617 CA GLY A 109 10.210 9.001 9.015 1.00 0.17 C ATOM 1618 C GLY A 109 8.848 8.439 9.374 1.00 0.18 C ATOM 1619 O GLY A 109 8.460 8.452 10.542 1.00 0.28 O ATOM 0 H GLY A 109 10.731 8.343 7.102 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.984 8.336 9.398 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.343 9.963 9.511 1.00 0.17 H new ATOM 1623 N GLU A 110 8.117 7.947 8.380 1.00 0.13 N ATOM 1624 CA GLU A 110 6.790 7.416 8.624 1.00 0.13 C ATOM 1625 C GLU A 110 6.816 5.898 8.657 1.00 0.10 C ATOM 1626 O GLU A 110 7.816 5.272 8.302 1.00 0.12 O ATOM 1627 CB GLU A 110 5.788 7.902 7.568 1.00 0.17 C ATOM 1628 CG GLU A 110 5.746 7.098 6.281 1.00 0.20 C ATOM 1629 CD GLU A 110 4.470 7.347 5.486 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.161 8.521 5.184 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.758 6.376 5.171 1.00 0.39 O ATOM 0 H GLU A 110 8.421 7.907 7.407 1.00 0.13 H new ATOM 0 HA GLU A 110 6.464 7.785 9.597 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.792 7.898 8.010 1.00 0.17 H new ATOM 0 HB3 GLU A 110 6.023 8.937 7.321 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.610 7.353 5.667 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.824 6.036 6.515 1.00 0.20 H new ATOM 1638 N THR A 111 5.720 5.312 9.103 1.00 0.10 N ATOM 1639 CA THR A 111 5.562 3.882 9.073 1.00 0.11 C ATOM 1640 C THR A 111 4.230 3.582 8.429 1.00 0.11 C ATOM 1641 O THR A 111 3.191 4.039 8.906 1.00 0.12 O ATOM 1642 CB THR A 111 5.629 3.266 10.485 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.745 3.814 11.196 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.775 1.751 10.410 1.00 0.19 C ATOM 0 H THR A 111 4.923 5.816 9.492 1.00 0.10 H new ATOM 0 HA THR A 111 6.378 3.439 8.502 1.00 0.11 H new ATOM 0 HB THR A 111 4.702 3.502 11.007 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.785 3.423 12.094 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.820 1.339 11.418 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.919 1.329 9.884 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.690 1.500 9.874 1.00 0.19 H new ATOM 1652 N ALA A 112 4.258 2.874 7.320 1.00 0.12 N ATOM 1653 CA ALA A 112 3.048 2.608 6.580 1.00 0.13 C ATOM 1654 C ALA A 112 2.793 1.122 6.474 1.00 0.12 C ATOM 1655 O ALA A 112 3.708 0.338 6.241 1.00 0.13 O ATOM 1656 CB ALA A 112 3.127 3.226 5.196 1.00 0.18 C ATOM 0 H ALA A 112 5.104 2.474 6.914 1.00 0.12 H new ATOM 0 HA ALA A 112 2.216 3.059 7.121 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.207 3.016 4.651 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.258 4.304 5.286 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.973 2.802 4.656 1.00 0.18 H new ATOM 1662 N MET A 113 1.547 0.742 6.653 1.00 0.12 N ATOM 1663 CA MET A 113 1.139 -0.622 6.415 1.00 0.12 C ATOM 1664 C MET A 113 0.532 -0.672 5.036 1.00 0.12 C ATOM 1665 O MET A 113 -0.471 -0.019 4.772 1.00 0.14 O ATOM 1666 CB MET A 113 0.122 -1.089 7.460 1.00 0.16 C ATOM 1667 CG MET A 113 -0.700 -2.292 7.011 1.00 0.25 C ATOM 1668 SD MET A 113 -1.879 -2.844 8.258 1.00 0.53 S ATOM 1669 CE MET A 113 -0.796 -3.743 9.361 1.00 1.32 C ATOM 0 H MET A 113 0.798 1.361 6.963 1.00 0.12 H new ATOM 0 HA MET A 113 1.999 -1.287 6.489 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.648 -1.341 8.381 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.552 -0.265 7.694 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.238 -2.037 6.098 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.027 -3.114 6.766 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.386 -4.209 10.151 1.00 1.32 H new ATOM 0 HE2 MET A 113 -0.266 -4.514 8.802 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.075 -3.055 9.804 1.00 1.32 H new ATOM 1679 N VAL A 114 1.146 -1.416 4.154 1.00 0.12 N ATOM 1680 CA VAL A 114 0.698 -1.468 2.786 1.00 0.12 C ATOM 1681 C VAL A 114 0.182 -2.841 2.467 1.00 0.13 C ATOM 1682 O VAL A 114 0.851 -3.842 2.723 1.00 0.16 O ATOM 1683 CB VAL A 114 1.839 -1.137 1.812 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.326 -0.838 0.410 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.663 0.008 2.349 1.00 0.17 C ATOM 0 H VAL A 114 1.960 -1.996 4.358 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.094 -0.728 2.671 1.00 0.12 H new ATOM 0 HB VAL A 114 2.475 -2.018 1.730 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.167 -0.609 -0.244 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.792 -1.707 0.025 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.650 0.017 0.444 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.469 0.235 1.651 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.030 0.887 2.470 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.086 -0.270 3.314 1.00 0.17 H new ATOM 1695 N THR A 115 -1.002 -2.895 1.926 1.00 0.14 N ATOM 1696 CA THR A 115 -1.512 -4.136 1.454 1.00 0.14 C ATOM 1697 C THR A 115 -1.429 -4.137 -0.046 1.00 0.13 C ATOM 1698 O THR A 115 -2.071 -3.338 -0.729 1.00 0.16 O ATOM 1699 CB THR A 115 -2.947 -4.416 1.912 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.018 -4.365 3.336 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.374 -5.790 1.455 1.00 0.20 C ATOM 0 H THR A 115 -1.624 -2.095 1.804 1.00 0.14 H new ATOM 0 HA THR A 115 -0.906 -4.935 1.880 1.00 0.14 H new ATOM 0 HB THR A 115 -3.605 -3.662 1.480 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.633 -3.652 3.608 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.395 -5.982 1.784 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.328 -5.842 0.367 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.708 -6.539 1.883 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.592 -5.007 -0.529 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.356 -5.155 -1.939 1.00 0.13 C ATOM 1711 C ALA A 116 -0.673 -6.565 -2.335 1.00 0.12 C ATOM 1712 O ALA A 116 -0.424 -7.498 -1.571 1.00 0.13 O ATOM 1713 CB ALA A 116 1.082 -4.830 -2.268 1.00 0.15 C ATOM 0 H ALA A 116 -0.045 -5.643 0.051 1.00 0.12 H new ATOM 0 HA ALA A 116 -0.994 -4.465 -2.492 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.245 -4.947 -3.339 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.298 -3.802 -1.978 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.741 -5.507 -1.725 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.255 -6.726 -3.499 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.499 -8.053 -4.012 1.00 0.13 C ATOM 1721 C ASP A 117 -0.187 -8.810 -4.109 1.00 0.11 C ATOM 1722 O ASP A 117 0.881 -8.214 -4.231 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.136 -8.008 -5.397 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.866 -9.289 -5.750 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -2.193 -10.301 -6.049 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -4.110 -9.283 -5.760 1.00 0.58 O ATOM 0 H ASP A 117 -1.565 -5.965 -4.103 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.183 -8.553 -3.327 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -2.835 -7.173 -5.444 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.363 -7.819 -6.142 1.00 0.16 H new ATOM 1731 N SER A 118 -0.298 -10.116 -4.086 1.00 0.13 N ATOM 1732 CA SER A 118 0.817 -11.017 -4.266 1.00 0.16 C ATOM 1733 C SER A 118 1.656 -10.603 -5.466 1.00 0.13 C ATOM 1734 O SER A 118 2.876 -10.585 -5.424 1.00 0.15 O ATOM 1735 CB SER A 118 0.223 -12.382 -4.541 1.00 0.27 C ATOM 1736 OG SER A 118 -0.620 -12.319 -5.678 1.00 0.82 O ATOM 0 H SER A 118 -1.187 -10.594 -3.938 1.00 0.13 H new ATOM 0 HA SER A 118 1.457 -11.011 -3.383 1.00 0.16 H new ATOM 0 HB2 SER A 118 1.019 -13.108 -4.707 1.00 0.27 H new ATOM 0 HB3 SER A 118 -0.344 -12.723 -3.675 1.00 0.27 H new ATOM 0 HG SER A 118 -1.359 -11.700 -5.503 1.00 0.82 H new ATOM 1742 N LYS A 119 0.970 -10.260 -6.526 1.00 0.13 N ATOM 1743 CA LYS A 119 1.588 -9.882 -7.777 1.00 0.14 C ATOM 1744 C LYS A 119 2.504 -8.660 -7.621 1.00 0.14 C ATOM 1745 O LYS A 119 3.488 -8.526 -8.345 1.00 0.18 O ATOM 1746 CB LYS A 119 0.475 -9.621 -8.778 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.570 -8.674 -8.247 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.690 -8.456 -9.241 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.670 -9.614 -9.234 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.644 -9.506 -10.352 1.00 0.81 N ATOM 0 H LYS A 119 -0.049 -10.234 -6.547 1.00 0.13 H new ATOM 0 HA LYS A 119 2.231 -10.689 -8.129 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.902 -9.209 -9.692 1.00 0.17 H new ATOM 0 HB3 LYS A 119 0.002 -10.566 -9.045 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -0.981 -9.070 -7.318 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.105 -7.717 -8.008 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.215 -7.531 -9.002 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.273 -8.337 -10.241 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.125 -10.555 -9.314 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.205 -9.635 -8.284 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.300 -10.312 -10.320 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.180 -8.619 -10.261 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.134 -9.511 -11.258 1.00 0.81 H new ATOM 1764 N TYR A 120 2.200 -7.781 -6.661 1.00 0.13 N ATOM 1765 CA TYR A 120 3.051 -6.621 -6.405 1.00 0.15 C ATOM 1766 C TYR A 120 4.028 -6.936 -5.297 1.00 0.15 C ATOM 1767 O TYR A 120 4.823 -6.090 -4.883 1.00 0.19 O ATOM 1768 CB TYR A 120 2.214 -5.398 -6.029 1.00 0.16 C ATOM 1769 CG TYR A 120 1.261 -4.980 -7.104 1.00 0.20 C ATOM 1770 CD1 TYR A 120 -0.010 -5.517 -7.158 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.639 -4.065 -8.070 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.893 -5.161 -8.152 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.768 -3.700 -9.076 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.498 -4.249 -9.111 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.366 -3.897 -10.118 1.00 0.42 O ATOM 0 H TYR A 120 1.381 -7.851 -6.057 1.00 0.13 H new ATOM 0 HA TYR A 120 3.600 -6.391 -7.318 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.653 -5.616 -5.120 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.881 -4.566 -5.800 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.317 -6.229 -6.407 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.627 -3.631 -8.036 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.884 -5.590 -8.182 1.00 0.30 H new ATOM 0 HE2 TYR A 120 1.074 -2.990 -9.830 1.00 0.34 H new ATOM 0 HH TYR A 120 -0.935 -3.245 -10.709 1.00 0.42 H new ATOM 1785 N CYS A 121 3.958 -8.167 -4.838 1.00 0.14 N ATOM 1786 CA CYS A 121 4.786 -8.639 -3.756 1.00 0.15 C ATOM 1787 C CYS A 121 5.596 -9.853 -4.201 1.00 0.16 C ATOM 1788 O CYS A 121 6.678 -9.695 -4.757 1.00 0.18 O ATOM 1789 CB CYS A 121 3.910 -8.960 -2.555 1.00 0.14 C ATOM 1790 SG CYS A 121 3.122 -7.506 -1.826 1.00 0.16 S ATOM 0 H CYS A 121 3.320 -8.871 -5.209 1.00 0.14 H new ATOM 0 HA CYS A 121 5.494 -7.862 -3.467 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.138 -9.668 -2.857 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.516 -9.454 -1.795 1.00 0.14 H new ATOM 0 HG CYS A 121 1.843 -7.714 -1.717 1.00 0.16 H new ATOM 1796 N TYR A 122 5.078 -11.067 -3.984 1.00 0.16 N ATOM 1797 CA TYR A 122 5.777 -12.266 -4.423 1.00 0.18 C ATOM 1798 C TYR A 122 4.806 -13.375 -4.826 1.00 0.18 C ATOM 1799 O TYR A 122 5.086 -14.531 -4.561 1.00 0.20 O ATOM 1800 CB TYR A 122 6.691 -12.816 -3.318 1.00 0.19 C ATOM 1801 CG TYR A 122 7.428 -11.775 -2.500 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.683 -11.325 -2.883 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.873 -11.256 -1.337 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.365 -10.386 -2.132 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.545 -10.320 -0.582 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.794 -9.885 -0.982 1.00 0.22 C ATOM 1807 OH TYR A 122 9.473 -8.951 -0.232 1.00 0.24 O ATOM 0 H TYR A 122 4.189 -11.238 -3.513 1.00 0.16 H new ATOM 0 HA TYR A 122 6.371 -11.969 -5.287 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.089 -13.424 -2.642 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.425 -13.480 -3.775 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.135 -11.715 -3.783 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.897 -11.592 -1.019 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.341 -10.046 -2.445 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.097 -9.928 0.319 1.00 0.20 H new ATOM 0 HH TYR A 122 8.883 -8.191 -0.044 1.00 0.24 H new ATOM 1817 N GLY A 123 3.678 -13.040 -5.466 1.00 0.19 N ATOM 1818 CA GLY A 123 2.749 -14.068 -5.920 1.00 0.21 C ATOM 1819 C GLY A 123 3.417 -15.141 -6.765 1.00 0.21 C ATOM 1820 O GLY A 123 3.788 -16.186 -6.250 1.00 0.25 O ATOM 0 H GLY A 123 3.395 -12.083 -5.675 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.281 -14.535 -5.054 1.00 0.21 H new ATOM 0 HA3 GLY A 123 1.953 -13.600 -6.499 1.00 0.21 H new ATOM 1824 N PRO A 124 3.599 -14.914 -8.068 1.00 0.25 N ATOM 1825 CA PRO A 124 4.284 -15.865 -8.945 1.00 0.30 C ATOM 1826 C PRO A 124 5.800 -15.770 -8.805 1.00 0.30 C ATOM 1827 O PRO A 124 6.550 -16.388 -9.559 1.00 0.34 O ATOM 1828 CB PRO A 124 3.855 -15.433 -10.357 1.00 0.37 C ATOM 1829 CG PRO A 124 2.905 -14.287 -10.177 1.00 0.58 C ATOM 1830 CD PRO A 124 3.153 -13.734 -8.807 1.00 0.32 C ATOM 0 HA PRO A 124 4.027 -16.898 -8.709 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.718 -15.133 -10.951 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.375 -16.256 -10.886 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.070 -13.524 -10.938 1.00 0.58 H new ATOM 0 HG3 PRO A 124 1.872 -14.621 -10.279 1.00 0.58 H new ATOM 0 HD2 PRO A 124 3.910 -12.950 -8.816 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.251 -13.301 -8.374 1.00 0.32 H new ATOM 1838 N GLN A 125 6.241 -14.981 -7.833 1.00 0.27 N ATOM 1839 CA GLN A 125 7.649 -14.693 -7.654 1.00 0.30 C ATOM 1840 C GLN A 125 8.211 -15.476 -6.481 1.00 0.32 C ATOM 1841 O GLN A 125 9.269 -16.095 -6.575 1.00 0.39 O ATOM 1842 CB GLN A 125 7.827 -13.199 -7.403 1.00 0.30 C ATOM 1843 CG GLN A 125 7.124 -12.336 -8.434 1.00 0.33 C ATOM 1844 CD GLN A 125 7.159 -10.870 -8.073 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.096 -10.156 -8.425 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.125 -10.411 -7.387 1.00 0.29 N ATOM 0 H GLN A 125 5.632 -14.527 -7.152 1.00 0.27 H new ATOM 0 HA GLN A 125 8.187 -14.986 -8.556 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.445 -12.955 -6.412 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.891 -12.961 -7.402 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.594 -12.480 -9.407 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.088 -12.660 -8.530 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.371 -11.043 -7.117 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.082 -9.425 -7.128 1.00 0.29 H new ATOM 1855 N GLY A 126 7.478 -15.436 -5.381 1.00 0.27 N ATOM 1856 CA GLY A 126 7.936 -16.014 -4.146 1.00 0.27 C ATOM 1857 C GLY A 126 8.890 -15.109 -3.413 1.00 0.28 C ATOM 1858 O GLY A 126 9.713 -14.417 -4.019 1.00 0.30 O ATOM 0 H GLY A 126 6.556 -15.003 -5.327 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.079 -16.229 -3.508 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.426 -16.965 -4.352 1.00 0.27 H new ATOM 1862 N SER A 127 8.763 -15.102 -2.105 1.00 0.27 N ATOM 1863 CA SER A 127 9.516 -14.196 -1.270 1.00 0.28 C ATOM 1864 C SER A 127 10.835 -14.798 -0.793 1.00 0.32 C ATOM 1865 O SER A 127 11.021 -16.015 -0.797 1.00 0.33 O ATOM 1866 CB SER A 127 8.641 -13.755 -0.086 1.00 0.27 C ATOM 1867 OG SER A 127 9.395 -13.143 0.944 1.00 0.30 O ATOM 0 H SER A 127 8.137 -15.723 -1.592 1.00 0.27 H new ATOM 0 HA SER A 127 9.785 -13.325 -1.868 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.881 -13.058 -0.439 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.116 -14.621 0.317 1.00 0.27 H new ATOM 0 HG SER A 127 8.820 -12.533 1.452 1.00 0.30 H new ATOM 1873 N ARG A 128 11.742 -13.902 -0.402 1.00 0.38 N ATOM 1874 CA ARG A 128 13.097 -14.248 0.019 1.00 0.42 C ATOM 1875 C ARG A 128 13.113 -15.380 1.044 1.00 0.42 C ATOM 1876 O ARG A 128 13.797 -16.385 0.852 1.00 0.52 O ATOM 1877 CB ARG A 128 13.786 -13.001 0.591 1.00 0.52 C ATOM 1878 CG ARG A 128 12.976 -12.296 1.672 1.00 1.12 C ATOM 1879 CD ARG A 128 13.749 -11.153 2.304 1.00 1.41 C ATOM 1880 NE ARG A 128 13.998 -10.063 1.367 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.459 -8.871 1.733 1.00 2.33 C ATOM 1882 NH1 ARG A 128 14.761 -8.641 3.006 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.638 -7.917 0.826 1.00 3.17 N ATOM 0 H ARG A 128 11.551 -12.901 -0.369 1.00 0.38 H new ATOM 0 HA ARG A 128 13.640 -14.605 -0.856 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.753 -13.288 1.003 1.00 0.52 H new ATOM 0 HB3 ARG A 128 13.981 -12.300 -0.220 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.051 -11.914 1.241 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.696 -13.014 2.442 1.00 1.12 H new ATOM 0 HD2 ARG A 128 13.193 -10.772 3.160 1.00 1.41 H new ATOM 0 HD3 ARG A 128 14.700 -11.527 2.683 1.00 1.41 H new ATOM 0 HE ARG A 128 13.808 -10.224 0.378 1.00 1.81 H new ATOM 0 HH11 ARG A 128 14.639 -9.378 3.700 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.115 -7.727 3.289 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.422 -8.098 -0.154 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.992 -7.003 1.110 1.00 3.17 H new ATOM 1897 N SER A 129 12.370 -15.215 2.125 1.00 0.42 N ATOM 1898 CA SER A 129 12.295 -16.239 3.142 1.00 0.44 C ATOM 1899 C SER A 129 11.272 -17.309 2.732 1.00 0.41 C ATOM 1900 O SER A 129 11.648 -18.459 2.517 1.00 0.44 O ATOM 1901 CB SER A 129 11.966 -15.614 4.504 1.00 0.48 C ATOM 1902 OG SER A 129 12.717 -14.427 4.706 1.00 1.23 O ATOM 0 H SER A 129 11.813 -14.382 2.317 1.00 0.42 H new ATOM 0 HA SER A 129 13.264 -16.729 3.239 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.901 -15.390 4.559 1.00 0.48 H new ATOM 0 HB3 SER A 129 12.183 -16.327 5.299 1.00 0.48 H new ATOM 0 HG SER A 129 12.492 -14.042 5.579 1.00 1.23 H new ATOM 1908 N PRO A 130 9.966 -16.978 2.604 1.00 0.37 N ATOM 1909 CA PRO A 130 8.972 -17.907 2.104 1.00 0.36 C ATOM 1910 C PRO A 130 8.551 -17.588 0.675 1.00 0.32 C ATOM 1911 O PRO A 130 8.165 -16.465 0.386 1.00 0.27 O ATOM 1912 CB PRO A 130 7.782 -17.624 3.040 1.00 0.37 C ATOM 1913 CG PRO A 130 8.063 -16.283 3.668 1.00 0.37 C ATOM 1914 CD PRO A 130 9.296 -15.741 2.992 1.00 0.37 C ATOM 0 HA PRO A 130 9.333 -18.935 2.089 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.844 -17.607 2.485 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.689 -18.400 3.800 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.218 -15.607 3.533 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.222 -16.384 4.742 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.054 -15.116 2.133 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.904 -15.136 3.665 1.00 0.37 H new ATOM 1922 N TYR A 131 8.621 -18.557 -0.216 1.00 0.33 N ATOM 1923 CA TYR A 131 7.923 -18.448 -1.484 1.00 0.32 C ATOM 1924 C TYR A 131 6.448 -18.192 -1.208 1.00 0.30 C ATOM 1925 O TYR A 131 5.696 -19.108 -0.876 1.00 0.32 O ATOM 1926 CB TYR A 131 8.116 -19.717 -2.323 1.00 0.36 C ATOM 1927 CG TYR A 131 7.098 -19.895 -3.436 1.00 0.45 C ATOM 1928 CD1 TYR A 131 7.177 -19.130 -4.594 1.00 1.00 C ATOM 1929 CD2 TYR A 131 6.061 -20.814 -3.328 1.00 0.78 C ATOM 1930 CE1 TYR A 131 6.254 -19.278 -5.612 1.00 1.14 C ATOM 1931 CE2 TYR A 131 5.131 -20.964 -4.342 1.00 0.87 C ATOM 1932 CZ TYR A 131 5.231 -20.247 -5.467 1.00 0.81 C ATOM 1933 OH TYR A 131 4.302 -20.330 -6.479 1.00 1.00 O ATOM 0 H TYR A 131 9.148 -19.421 -0.089 1.00 0.33 H new ATOM 0 HA TYR A 131 8.333 -17.617 -2.058 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.114 -19.701 -2.760 1.00 0.36 H new ATOM 0 HB3 TYR A 131 8.071 -20.584 -1.664 1.00 0.36 H new ATOM 0 HD1 TYR A 131 7.973 -18.408 -4.700 1.00 1.00 H new ATOM 0 HD2 TYR A 131 5.980 -21.421 -2.438 1.00 0.78 H new ATOM 0 HE1 TYR A 131 6.312 -18.667 -6.501 1.00 1.14 H new ATOM 0 HE2 TYR A 131 4.318 -21.665 -4.224 1.00 0.87 H new ATOM 0 HH TYR A 131 3.650 -21.031 -6.268 1.00 1.00 H new ATOM 1943 N ILE A 132 6.063 -16.926 -1.266 1.00 0.27 N ATOM 1944 CA ILE A 132 4.688 -16.547 -1.030 1.00 0.26 C ATOM 1945 C ILE A 132 3.814 -17.097 -2.151 1.00 0.25 C ATOM 1946 O ILE A 132 4.072 -16.829 -3.320 1.00 0.25 O ATOM 1947 CB ILE A 132 4.527 -15.011 -0.950 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.522 -14.378 0.020 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.116 -14.654 -0.535 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.531 -14.972 1.406 1.00 0.23 C ATOM 0 H ILE A 132 6.688 -16.147 -1.475 1.00 0.27 H new ATOM 0 HA ILE A 132 4.379 -16.966 -0.072 1.00 0.26 H new ATOM 0 HB ILE A 132 4.732 -14.614 -1.944 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.523 -14.465 -0.402 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.301 -13.314 0.099 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.016 -13.570 -0.482 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.411 -15.049 -1.266 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.904 -15.086 0.443 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.270 -14.455 2.019 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.545 -14.861 1.856 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.785 -16.030 1.347 1.00 0.23 H new ATOM 1962 N PRO A 133 2.798 -17.905 -1.811 1.00 0.27 N ATOM 1963 CA PRO A 133 1.900 -18.493 -2.807 1.00 0.28 C ATOM 1964 C PRO A 133 1.241 -17.427 -3.683 1.00 0.26 C ATOM 1965 O PRO A 133 0.828 -16.376 -3.183 1.00 0.26 O ATOM 1966 CB PRO A 133 0.849 -19.218 -1.961 1.00 0.34 C ATOM 1967 CG PRO A 133 1.513 -19.467 -0.650 1.00 0.61 C ATOM 1968 CD PRO A 133 2.453 -18.314 -0.437 1.00 0.31 C ATOM 0 HA PRO A 133 2.428 -19.149 -3.499 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.048 -18.610 -1.840 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.540 -20.152 -2.431 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.779 -19.526 0.154 1.00 0.61 H new ATOM 0 HG3 PRO A 133 2.053 -20.414 -0.659 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.979 -17.504 0.117 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.336 -18.613 0.128 1.00 0.31 H new ATOM 1976 N PRO A 134 1.150 -17.671 -5.004 1.00 0.27 N ATOM 1977 CA PRO A 134 0.562 -16.716 -5.936 1.00 0.25 C ATOM 1978 C PRO A 134 -0.858 -16.328 -5.564 1.00 0.27 C ATOM 1979 O PRO A 134 -1.714 -17.177 -5.306 1.00 0.32 O ATOM 1980 CB PRO A 134 0.594 -17.428 -7.285 1.00 0.29 C ATOM 1981 CG PRO A 134 1.656 -18.464 -7.138 1.00 0.52 C ATOM 1982 CD PRO A 134 1.625 -18.883 -5.691 1.00 0.33 C ATOM 0 HA PRO A 134 1.116 -15.777 -5.936 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.370 -17.879 -7.518 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.825 -16.735 -8.094 1.00 0.29 H new ATOM 0 HG2 PRO A 134 1.467 -19.313 -7.795 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.633 -18.063 -7.408 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.954 -19.727 -5.530 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.610 -19.187 -5.338 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.061 -15.027 -5.546 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.325 -14.389 -5.196 1.00 0.31 C ATOM 1992 C HIS A 135 -2.614 -14.428 -3.701 1.00 0.32 C ATOM 1993 O HIS A 135 -3.768 -14.316 -3.281 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.511 -14.945 -5.984 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.672 -14.354 -7.352 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.500 -15.073 -8.516 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -4.033 -13.105 -7.737 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.743 -14.294 -9.551 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -4.074 -13.094 -9.111 1.00 2.25 N ATOM 0 H HIS A 135 -0.329 -14.357 -5.782 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.200 -13.345 -5.482 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.396 -16.025 -6.078 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.424 -14.770 -5.415 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -4.249 -12.272 -7.084 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.681 -14.589 -10.588 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -4.319 -12.293 -9.693 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.573 -14.551 -2.897 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.705 -14.312 -1.476 1.00 0.24 C ATOM 2010 C ALA A 136 -1.439 -12.843 -1.214 1.00 0.21 C ATOM 2011 O ALA A 136 -0.336 -12.356 -1.463 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.748 -15.182 -0.684 1.00 0.26 C ATOM 0 H ALA A 136 -0.636 -14.813 -3.203 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.714 -14.571 -1.154 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.869 -14.981 0.380 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.963 -16.232 -0.882 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.277 -14.959 -0.981 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.444 -12.127 -0.736 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.326 -10.691 -0.573 1.00 0.19 C ATOM 2020 C ALA A 137 -1.415 -10.374 0.597 1.00 0.16 C ATOM 2021 O ALA A 137 -1.537 -10.961 1.673 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.695 -10.050 -0.392 1.00 0.22 C ATOM 0 H ALA A 137 -3.345 -12.516 -0.456 1.00 0.18 H new ATOM 0 HA ALA A 137 -1.885 -10.272 -1.477 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.579 -8.973 -0.272 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.311 -10.253 -1.268 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.176 -10.464 0.494 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.485 -9.465 0.374 1.00 0.13 N ATOM 2029 CA LEU A 138 0.541 -9.187 1.354 1.00 0.12 C ATOM 2030 C LEU A 138 0.276 -7.883 2.095 1.00 0.13 C ATOM 2031 O LEU A 138 -0.011 -6.853 1.485 1.00 0.15 O ATOM 2032 CB LEU A 138 1.908 -9.136 0.683 1.00 0.13 C ATOM 2033 CG LEU A 138 2.938 -10.100 1.266 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.432 -11.524 1.192 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.266 -9.964 0.550 1.00 0.19 C ATOM 0 H LEU A 138 -0.421 -8.908 -0.478 1.00 0.13 H new ATOM 0 HA LEU A 138 0.525 -9.995 2.086 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.786 -9.354 -0.378 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.297 -8.121 0.757 1.00 0.13 H new ATOM 0 HG LEU A 138 3.092 -9.845 2.315 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.179 -12.198 1.612 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.505 -11.611 1.759 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.247 -11.791 0.151 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.985 -10.660 0.982 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.133 -10.189 -0.508 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.636 -8.945 0.661 1.00 0.19 H new ATOM 2047 N CYS A 139 0.383 -7.935 3.411 1.00 0.13 N ATOM 2048 CA CYS A 139 0.224 -6.753 4.237 1.00 0.14 C ATOM 2049 C CYS A 139 1.536 -6.468 4.955 1.00 0.13 C ATOM 2050 O CYS A 139 1.861 -7.091 5.965 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.895 -6.964 5.251 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.560 -5.436 5.957 1.00 1.20 S ATOM 0 H CYS A 139 0.581 -8.789 3.932 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.039 -5.903 3.608 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.706 -7.511 4.771 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.522 -7.592 6.060 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.242 -4.800 5.051 1.00 1.20 H new ATOM 2058 N LEU A 140 2.280 -5.524 4.430 1.00 0.13 N ATOM 2059 CA LEU A 140 3.632 -5.268 4.888 1.00 0.14 C ATOM 2060 C LEU A 140 3.742 -3.917 5.581 1.00 0.13 C ATOM 2061 O LEU A 140 3.183 -2.932 5.123 1.00 0.12 O ATOM 2062 CB LEU A 140 4.588 -5.336 3.708 1.00 0.17 C ATOM 2063 CG LEU A 140 4.234 -4.416 2.554 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.159 -3.210 2.548 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.306 -5.158 1.233 1.00 0.32 C ATOM 0 H LEU A 140 1.970 -4.911 3.676 1.00 0.13 H new ATOM 0 HA LEU A 140 3.897 -6.032 5.619 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.592 -5.091 4.056 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.619 -6.362 3.341 1.00 0.17 H new ATOM 0 HG LEU A 140 3.209 -4.068 2.686 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.898 -2.555 1.717 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.053 -2.665 3.486 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.191 -3.543 2.437 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.048 -4.479 0.420 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.317 -5.537 1.083 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.604 -5.992 1.245 1.00 0.32 H new ATOM 2077 N GLU A 141 4.453 -3.876 6.690 1.00 0.14 N ATOM 2078 CA GLU A 141 4.608 -2.649 7.443 1.00 0.13 C ATOM 2079 C GLU A 141 6.023 -2.124 7.244 1.00 0.12 C ATOM 2080 O GLU A 141 6.990 -2.798 7.596 1.00 0.15 O ATOM 2081 CB GLU A 141 4.305 -2.938 8.911 1.00 0.18 C ATOM 2082 CG GLU A 141 4.470 -1.757 9.846 1.00 0.26 C ATOM 2083 CD GLU A 141 4.016 -2.114 11.247 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.502 -3.128 11.795 1.00 1.05 O ATOM 2085 OE2 GLU A 141 3.150 -1.410 11.798 1.00 1.00 O ATOM 0 H GLU A 141 4.934 -4.682 7.090 1.00 0.14 H new ATOM 0 HA GLU A 141 3.916 -1.881 7.098 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.281 -3.303 8.989 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.958 -3.743 9.249 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.514 -1.446 9.865 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.892 -0.910 9.476 1.00 0.26 H new ATOM 2092 N VAL A 142 6.144 -0.954 6.634 1.00 0.12 N ATOM 2093 CA VAL A 142 7.449 -0.407 6.302 1.00 0.12 C ATOM 2094 C VAL A 142 7.738 0.905 7.022 1.00 0.12 C ATOM 2095 O VAL A 142 6.992 1.877 6.908 1.00 0.15 O ATOM 2096 CB VAL A 142 7.620 -0.206 4.780 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.856 -1.541 4.098 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.403 0.488 4.178 1.00 0.19 C ATOM 0 H VAL A 142 5.356 -0.367 6.360 1.00 0.12 H new ATOM 0 HA VAL A 142 8.170 -1.149 6.645 1.00 0.12 H new ATOM 0 HB VAL A 142 8.488 0.433 4.617 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.975 -1.386 3.026 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.759 -2.001 4.500 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.004 -2.197 4.277 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.551 0.617 3.106 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.515 -0.120 4.352 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.272 1.464 4.646 1.00 0.19 H new ATOM 2108 N THR A 143 8.811 0.896 7.794 1.00 0.13 N ATOM 2109 CA THR A 143 9.356 2.101 8.404 1.00 0.13 C ATOM 2110 C THR A 143 10.358 2.769 7.475 1.00 0.12 C ATOM 2111 O THR A 143 11.456 2.248 7.273 1.00 0.15 O ATOM 2112 CB THR A 143 10.105 1.761 9.706 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.423 0.710 10.393 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.218 2.983 10.610 1.00 0.22 C ATOM 0 H THR A 143 9.333 0.049 8.018 1.00 0.13 H new ATOM 0 HA THR A 143 8.515 2.765 8.605 1.00 0.13 H new ATOM 0 HB THR A 143 11.113 1.436 9.447 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.981 0.386 11.131 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.751 2.713 11.522 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.763 3.771 10.090 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.220 3.340 10.865 1.00 0.22 H new ATOM 2122 N LEU A 144 9.998 3.907 6.909 1.00 0.13 N ATOM 2123 CA LEU A 144 10.958 4.680 6.141 1.00 0.12 C ATOM 2124 C LEU A 144 11.796 5.497 7.096 1.00 0.12 C ATOM 2125 O LEU A 144 11.412 6.584 7.517 1.00 0.14 O ATOM 2126 CB LEU A 144 10.272 5.588 5.123 1.00 0.14 C ATOM 2127 CG LEU A 144 11.220 6.413 4.253 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.144 5.504 3.458 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.427 7.319 3.327 1.00 0.13 C ATOM 0 H LEU A 144 9.063 4.312 6.964 1.00 0.13 H new ATOM 0 HA LEU A 144 11.590 3.993 5.578 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.648 4.974 4.473 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.607 6.268 5.655 1.00 0.14 H new ATOM 0 HG LEU A 144 11.836 7.036 4.902 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.811 6.110 2.845 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.734 4.895 4.143 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.550 4.854 2.815 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.113 7.902 2.712 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.789 6.713 2.684 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.809 7.993 3.919 1.00 0.13 H new ATOM 2141 N LYS A 145 12.935 4.946 7.451 1.00 0.14 N ATOM 2142 CA LYS A 145 13.757 5.517 8.497 1.00 0.17 C ATOM 2143 C LYS A 145 14.734 6.529 7.924 1.00 0.16 C ATOM 2144 O LYS A 145 15.186 7.432 8.626 1.00 0.21 O ATOM 2145 CB LYS A 145 14.514 4.409 9.235 1.00 0.26 C ATOM 2146 CG LYS A 145 13.658 3.188 9.550 1.00 0.40 C ATOM 2147 CD LYS A 145 14.478 2.070 10.174 1.00 0.60 C ATOM 2148 CE LYS A 145 15.586 1.625 9.240 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.642 0.846 9.951 1.00 1.08 N ATOM 0 H LYS A 145 13.316 4.099 7.029 1.00 0.14 H new ATOM 0 HA LYS A 145 13.106 6.033 9.203 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.366 4.098 8.630 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.914 4.812 10.166 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.855 3.473 10.230 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.188 2.827 8.635 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.906 2.411 11.117 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.830 1.224 10.405 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.163 1.016 8.441 1.00 0.38 H new ATOM 0 HE3 LYS A 145 16.036 2.499 8.770 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.526 0.881 9.405 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.801 1.256 10.893 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.336 -0.143 10.051 1.00 1.08 H new ATOM 2163 N THR A 146 15.066 6.380 6.651 1.00 0.16 N ATOM 2164 CA THR A 146 16.057 7.238 6.025 1.00 0.19 C ATOM 2165 C THR A 146 15.934 7.204 4.506 1.00 0.17 C ATOM 2166 O THR A 146 15.553 6.184 3.929 1.00 0.16 O ATOM 2167 CB THR A 146 17.490 6.789 6.387 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.625 6.618 7.807 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.528 7.798 5.912 1.00 0.37 C ATOM 0 H THR A 146 14.664 5.675 6.033 1.00 0.16 H new ATOM 0 HA THR A 146 15.873 8.247 6.395 1.00 0.19 H new ATOM 0 HB THR A 146 17.664 5.838 5.883 1.00 0.25 H new ATOM 0 HG1 THR A 146 16.962 7.173 8.268 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.525 7.450 6.184 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.463 7.904 4.829 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.340 8.763 6.383 1.00 0.37 H new ATOM 2177 N ALA A 147 16.255 8.323 3.869 1.00 0.20 N ATOM 2178 CA ALA A 147 16.418 8.362 2.432 1.00 0.19 C ATOM 2179 C ALA A 147 17.798 8.908 2.100 1.00 0.22 C ATOM 2180 O ALA A 147 18.182 9.965 2.594 1.00 0.25 O ATOM 2181 CB ALA A 147 15.333 9.217 1.795 1.00 0.21 C ATOM 0 H ALA A 147 16.407 9.218 4.334 1.00 0.20 H new ATOM 0 HA ALA A 147 16.326 7.353 2.030 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.472 9.235 0.714 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.355 8.797 2.029 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.394 10.233 2.185 1.00 0.21 H new ATOM 2187 N VAL A 148 18.544 8.188 1.276 1.00 0.24 N ATOM 2188 CA VAL A 148 19.887 8.584 0.921 1.00 0.31 C ATOM 2189 C VAL A 148 19.978 8.787 -0.576 1.00 0.34 C ATOM 2190 O VAL A 148 19.726 7.870 -1.355 1.00 0.36 O ATOM 2191 CB VAL A 148 20.915 7.518 1.335 1.00 0.42 C ATOM 2192 CG1 VAL A 148 22.316 8.036 1.119 1.00 0.92 C ATOM 2193 CG2 VAL A 148 20.711 7.078 2.780 1.00 0.75 C ATOM 0 H VAL A 148 18.233 7.320 0.840 1.00 0.24 H new ATOM 0 HA VAL A 148 20.111 9.511 1.449 1.00 0.31 H new ATOM 0 HB VAL A 148 20.767 6.640 0.706 1.00 0.42 H new ATOM 0 HG11 VAL A 148 23.036 7.273 1.415 1.00 0.92 H new ATOM 0 HG12 VAL A 148 22.456 8.277 0.065 1.00 0.92 H new ATOM 0 HG13 VAL A 148 22.469 8.932 1.720 1.00 0.92 H new ATOM 0 HG21 VAL A 148 21.454 6.324 3.039 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.820 7.938 3.441 1.00 0.75 H new ATOM 0 HG23 VAL A 148 19.712 6.657 2.895 1.00 0.75 H new