USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 86 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : A 4 MET CE :methyl -122:sc= -1.45 (180deg=-3.36!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000616) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0223) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00106) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 29.660 3.479 1.665 1.00 0.00 N ATOM 2 CA LEU A 1 28.354 4.026 1.138 1.00 0.00 C ATOM 3 C LEU A 1 27.190 3.035 1.258 1.00 0.00 C ATOM 4 O LEU A 1 27.278 1.861 0.889 1.00 0.00 O ATOM 5 CB LEU A 1 28.558 4.433 -0.321 1.00 0.00 C ATOM 6 CG LEU A 1 28.181 5.904 -0.553 1.00 0.00 C ATOM 7 CD1 LEU A 1 28.793 6.376 -1.872 1.00 0.00 C ATOM 8 CD2 LEU A 1 26.660 6.102 -0.602 1.00 0.00 C ATOM 0 H1 LEU A 1 30.406 4.195 1.556 1.00 0.00 H new ATOM 0 H2 LEU A 1 29.555 3.239 2.672 1.00 0.00 H new ATOM 0 H3 LEU A 1 29.919 2.625 1.131 1.00 0.00 H new ATOM 0 HA LEU A 1 28.077 4.885 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 1 29.599 4.274 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 1 27.953 3.795 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 1 28.569 6.488 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 1 28.529 7.420 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 1 29.878 6.279 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 1 28.409 5.766 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 1 26.435 7.156 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 1 26.242 5.510 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 1 26.221 5.782 0.343 1.00 0.00 H new ATOM 12 N GLN A 2 26.068 3.579 1.725 1.00 0.00 N ATOM 13 CA GLN A 2 24.807 2.790 1.877 1.00 0.00 C ATOM 14 C GLN A 2 23.728 3.289 0.908 1.00 0.00 C ATOM 15 O GLN A 2 22.859 4.104 1.219 1.00 0.00 O ATOM 16 CB GLN A 2 24.367 2.742 3.334 1.00 0.00 C ATOM 17 CG GLN A 2 23.069 1.928 3.490 1.00 0.00 C ATOM 18 CD GLN A 2 23.012 1.091 4.750 1.00 0.00 C ATOM 19 OE1 GLN A 2 23.150 1.545 5.875 1.00 0.00 O ATOM 20 NE2 GLN A 2 22.708 -0.184 4.574 1.00 0.00 N ATOM 0 H GLN A 2 25.987 4.556 2.008 1.00 0.00 H new ATOM 0 HA GLN A 2 24.995 1.754 1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.155 2.297 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.212 3.755 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.221 2.612 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 2 22.958 1.273 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.594 -0.556 3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 2 22.587 -0.796 5.381 1.00 0.00 H new ATOM 24 N ARG A 3 23.798 2.684 -0.259 1.00 0.00 N ATOM 25 CA ARG A 3 22.842 2.933 -1.368 1.00 0.00 C ATOM 26 C ARG A 3 22.372 1.601 -1.959 1.00 0.00 C ATOM 27 O ARG A 3 22.991 0.556 -1.719 1.00 0.00 O ATOM 28 CB ARG A 3 23.473 3.837 -2.430 1.00 0.00 C ATOM 29 CG ARG A 3 24.850 3.355 -2.901 1.00 0.00 C ATOM 30 CD ARG A 3 24.923 3.286 -4.432 1.00 0.00 C ATOM 31 NE ARG A 3 24.684 4.593 -5.075 1.00 0.00 N ATOM 32 CZ ARG A 3 25.538 5.598 -5.203 1.00 0.00 C ATOM 33 NH1 ARG A 3 26.660 5.693 -4.492 1.00 0.00 N ATOM 34 NH2 ARG A 3 25.485 6.322 -6.302 1.00 0.00 N ATOM 0 H ARG A 3 24.517 1.997 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 3 21.968 3.455 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 3 22.804 3.897 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 3 23.567 4.846 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 3 25.621 4.029 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 3 25.057 2.371 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 3 25.904 2.914 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.187 2.568 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 3 23.753 4.740 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 3 26.895 4.971 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 3 27.285 6.488 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 3 24.800 6.102 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 3 26.129 7.102 -6.430 1.00 0.00 H new ATOM 41 N MET A 4 21.141 1.635 -2.472 1.00 0.00 N ATOM 42 CA MET A 4 20.428 0.454 -3.051 1.00 0.00 C ATOM 43 C MET A 4 20.109 -0.665 -2.035 1.00 0.00 C ATOM 44 O MET A 4 19.508 -1.673 -2.387 1.00 0.00 O ATOM 45 CB MET A 4 21.182 -0.109 -4.274 1.00 0.00 C ATOM 46 CG MET A 4 21.557 0.922 -5.349 1.00 0.00 C ATOM 47 SD MET A 4 20.151 1.830 -6.106 1.00 0.00 S ATOM 48 CE MET A 4 20.187 3.365 -5.200 1.00 0.00 C ATOM 0 H MET A 4 20.587 2.491 -2.506 1.00 0.00 H new ATOM 0 HA MET A 4 19.460 0.837 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.094 -0.594 -3.926 1.00 0.00 H new ATOM 0 HB3 MET A 4 20.567 -0.882 -4.735 1.00 0.00 H new ATOM 0 HG2 MET A 4 22.239 1.648 -4.907 1.00 0.00 H new ATOM 0 HG3 MET A 4 22.104 0.411 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.228 3.518 -4.706 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.979 3.327 -4.452 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.377 4.189 -5.888 1.00 0.00 H new ATOM 50 N LYS A 5 20.386 -0.372 -0.773 1.00 0.00 N ATOM 51 CA LYS A 5 20.039 -1.234 0.389 1.00 0.00 C ATOM 52 C LYS A 5 18.909 -0.666 1.257 1.00 0.00 C ATOM 53 O LYS A 5 18.033 -1.403 1.696 1.00 0.00 O ATOM 54 CB LYS A 5 21.253 -1.489 1.278 1.00 0.00 C ATOM 55 CG LYS A 5 21.973 -2.773 0.921 1.00 0.00 C ATOM 56 CD LYS A 5 23.004 -3.020 2.023 1.00 0.00 C ATOM 57 CE LYS A 5 24.182 -3.849 1.529 1.00 0.00 C ATOM 58 NZ LYS A 5 25.318 -3.481 2.367 1.00 0.00 N ATOM 0 H LYS A 5 20.868 0.486 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 5 19.690 -2.169 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.945 -0.652 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.934 -1.532 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.271 -3.604 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.459 -2.687 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.367 -2.064 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.526 -3.532 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.969 -4.915 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 5 24.390 -3.643 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 26.156 -4.021 2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 25.508 -2.464 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.100 -3.696 3.361 1.00 0.00 H new ATOM 63 N GLN A 6 18.960 0.637 1.498 1.00 0.00 N ATOM 64 CA GLN A 6 17.864 1.337 2.237 1.00 0.00 C ATOM 65 C GLN A 6 16.793 1.917 1.311 1.00 0.00 C ATOM 66 O GLN A 6 15.599 1.795 1.558 1.00 0.00 O ATOM 67 CB GLN A 6 18.425 2.420 3.172 1.00 0.00 C ATOM 68 CG GLN A 6 19.236 3.511 2.469 1.00 0.00 C ATOM 69 CD GLN A 6 19.553 4.651 3.425 1.00 0.00 C ATOM 70 OE1 GLN A 6 20.456 4.402 4.355 1.00 0.00 O flip ATOM 71 NE2 GLN A 6 19.017 5.747 3.349 1.00 0.00 N flip ATOM 0 H GLN A 6 19.727 1.242 1.206 1.00 0.00 H new ATOM 0 HA GLN A 6 17.373 0.576 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.596 2.887 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.056 1.943 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.163 3.088 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.677 3.892 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.321 5.925 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 6 19.266 6.483 4.009 1.00 0.00 H new ATOM 75 N LEU A 7 17.249 2.374 0.143 1.00 0.00 N ATOM 76 CA LEU A 7 16.373 2.958 -0.898 1.00 0.00 C ATOM 77 C LEU A 7 15.405 1.919 -1.474 1.00 0.00 C ATOM 78 O LEU A 7 14.206 2.194 -1.585 1.00 0.00 O ATOM 79 CB LEU A 7 17.248 3.639 -1.972 1.00 0.00 C ATOM 80 CG LEU A 7 18.253 4.622 -1.351 1.00 0.00 C ATOM 81 CD1 LEU A 7 19.163 5.221 -2.426 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.576 5.775 -0.601 1.00 0.00 C ATOM 0 H LEU A 7 18.235 2.354 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 7 15.736 3.722 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.786 2.879 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.609 4.170 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 7 18.833 4.038 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.866 5.914 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.714 4.422 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.558 5.754 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.337 6.435 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.946 6.337 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.963 5.374 0.206 1.00 0.00 H new ATOM 84 N GLU A 8 15.874 0.667 -1.521 1.00 0.00 N ATOM 85 CA GLU A 8 15.051 -0.496 -1.908 1.00 0.00 C ATOM 86 C GLU A 8 13.983 -0.858 -0.841 1.00 0.00 C ATOM 87 O GLU A 8 12.825 -1.068 -1.184 1.00 0.00 O ATOM 88 CB GLU A 8 15.948 -1.678 -2.294 1.00 0.00 C ATOM 89 CG GLU A 8 16.687 -2.372 -1.134 1.00 0.00 C ATOM 90 CD GLU A 8 16.026 -3.664 -0.665 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.667 -4.616 -0.239 1.00 0.00 O ATOM 92 OE2 GLU A 8 14.671 -3.760 -0.756 1.00 0.00 O ATOM 0 H GLU A 8 16.838 0.426 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 8 14.475 -0.222 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.336 -2.421 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.689 -1.327 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.708 -2.590 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.751 -1.682 -0.293 1.00 0.00 H new ATOM 95 N ASP A 9 14.338 -0.670 0.429 1.00 0.00 N ATOM 96 CA ASP A 9 13.424 -0.857 1.575 1.00 0.00 C ATOM 97 C ASP A 9 12.282 0.157 1.579 1.00 0.00 C ATOM 98 O ASP A 9 11.113 -0.210 1.752 1.00 0.00 O ATOM 99 CB ASP A 9 14.176 -0.829 2.905 1.00 0.00 C ATOM 100 CG ASP A 9 14.781 -2.181 3.258 1.00 0.00 C ATOM 101 OD1 ASP A 9 15.458 -2.844 2.488 1.00 0.00 O ATOM 102 OD2 ASP A 9 14.542 -2.617 4.520 1.00 0.00 O ATOM 0 H ASP A 9 15.277 -0.380 0.703 1.00 0.00 H new ATOM 0 HA ASP A 9 12.981 -1.846 1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.968 -0.081 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.495 -0.521 3.698 1.00 0.00 H new ATOM 105 N LYS A 10 12.612 1.389 1.209 1.00 0.00 N ATOM 106 CA LYS A 10 11.613 2.472 1.013 1.00 0.00 C ATOM 107 C LYS A 10 10.696 2.207 -0.192 1.00 0.00 C ATOM 108 O LYS A 10 9.478 2.354 -0.093 1.00 0.00 O ATOM 109 CB LYS A 10 12.426 3.787 0.982 1.00 0.00 C ATOM 110 CG LYS A 10 11.725 5.044 0.449 1.00 0.00 C ATOM 111 CD LYS A 10 11.891 5.079 -1.074 1.00 0.00 C ATOM 112 CE LYS A 10 12.175 6.486 -1.589 1.00 0.00 C ATOM 113 NZ LYS A 10 13.208 6.349 -2.618 1.00 0.00 N ATOM 0 H LYS A 10 13.573 1.681 1.033 1.00 0.00 H new ATOM 0 HA LYS A 10 10.887 2.533 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.765 3.996 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.317 3.617 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.668 5.031 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.156 5.939 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.706 4.416 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.986 4.697 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.273 6.938 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.515 7.134 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.440 7.286 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.061 5.927 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.858 5.737 -3.382 1.00 0.00 H new ATOM 118 N VAL A 11 11.281 1.694 -1.274 1.00 0.00 N ATOM 119 CA VAL A 11 10.536 1.318 -2.502 1.00 0.00 C ATOM 120 C VAL A 11 9.550 0.163 -2.257 1.00 0.00 C ATOM 121 O VAL A 11 8.372 0.250 -2.616 1.00 0.00 O ATOM 122 CB VAL A 11 11.539 1.050 -3.657 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.900 0.423 -4.906 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.192 2.358 -4.090 1.00 0.00 C ATOM 0 H VAL A 11 12.285 1.523 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 11 9.904 2.153 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 11 12.261 0.340 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.665 0.267 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.449 -0.534 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.132 1.091 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.894 2.163 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.425 3.051 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.725 2.796 -3.246 1.00 0.00 H new ATOM 126 N GLU A 12 9.996 -0.875 -1.556 1.00 0.00 N ATOM 127 CA GLU A 12 9.103 -2.004 -1.168 1.00 0.00 C ATOM 128 C GLU A 12 8.026 -1.590 -0.150 1.00 0.00 C ATOM 129 O GLU A 12 6.885 -2.029 -0.229 1.00 0.00 O ATOM 130 CB GLU A 12 9.897 -3.230 -0.706 1.00 0.00 C ATOM 131 CG GLU A 12 10.537 -3.077 0.689 1.00 0.00 C ATOM 132 CD GLU A 12 11.342 -4.271 1.160 1.00 0.00 C ATOM 133 OE1 GLU A 12 11.429 -5.342 0.576 1.00 0.00 O ATOM 134 OE2 GLU A 12 12.047 -4.075 2.315 1.00 0.00 O ATOM 0 H GLU A 12 10.960 -0.974 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 12 8.567 -2.295 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.235 -4.096 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.682 -3.436 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.186 -2.201 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.748 -2.881 1.415 1.00 0.00 H new ATOM 137 N GLU A 13 8.384 -0.625 0.715 1.00 0.00 N ATOM 138 CA GLU A 13 7.480 -0.053 1.721 1.00 0.00 C ATOM 139 C GLU A 13 6.264 0.651 1.099 1.00 0.00 C ATOM 140 O GLU A 13 5.208 0.747 1.727 1.00 0.00 O ATOM 141 CB GLU A 13 8.233 0.928 2.622 1.00 0.00 C ATOM 142 CG GLU A 13 8.057 0.611 4.114 1.00 0.00 C ATOM 143 CD GLU A 13 6.602 0.672 4.557 1.00 0.00 C ATOM 144 OE1 GLU A 13 6.019 1.729 4.767 1.00 0.00 O ATOM 145 OE2 GLU A 13 5.960 -0.513 4.713 1.00 0.00 O ATOM 0 H GLU A 13 9.319 -0.218 0.733 1.00 0.00 H new ATOM 0 HA GLU A 13 7.107 -0.890 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.294 0.905 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.881 1.941 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.454 -0.383 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.642 1.317 4.703 1.00 0.00 H new ATOM 148 N LEU A 14 6.404 1.007 -0.183 1.00 0.00 N ATOM 149 CA LEU A 14 5.307 1.611 -0.969 1.00 0.00 C ATOM 150 C LEU A 14 4.206 0.569 -1.159 1.00 0.00 C ATOM 151 O LEU A 14 3.196 0.699 -0.492 1.00 0.00 O ATOM 152 CB LEU A 14 5.756 2.158 -2.324 1.00 0.00 C ATOM 153 CG LEU A 14 6.927 3.149 -2.241 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.219 3.663 -3.650 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.699 4.314 -1.284 1.00 0.00 C ATOM 0 H LEU A 14 7.271 0.888 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 14 4.938 2.469 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.044 1.324 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.910 2.650 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 14 7.780 2.610 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.048 4.369 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.483 2.825 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.334 4.162 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.574 4.964 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.825 4.881 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.535 3.931 -0.277 1.00 0.00 H new ATOM 157 N LEU A 15 4.487 -0.522 -1.858 1.00 0.00 N ATOM 158 CA LEU A 15 3.515 -1.603 -2.114 1.00 0.00 C ATOM 159 C LEU A 15 2.915 -2.156 -0.801 1.00 0.00 C ATOM 160 O LEU A 15 1.712 -2.046 -0.638 1.00 0.00 O ATOM 161 CB LEU A 15 4.090 -2.766 -2.939 1.00 0.00 C ATOM 162 CG LEU A 15 4.976 -2.326 -4.104 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.374 -3.570 -4.909 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.348 -1.291 -5.046 1.00 0.00 C ATOM 0 H LEU A 15 5.403 -0.694 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 15 2.728 -1.137 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.669 -3.413 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.266 -3.363 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 15 5.837 -1.826 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.007 -3.275 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.920 -4.260 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.477 -4.060 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.055 -1.044 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.439 -1.703 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.103 -0.389 -4.485 1.00 0.00 H new ATOM 166 N SER A 16 3.763 -2.435 0.197 1.00 0.00 N ATOM 167 CA SER A 16 3.308 -2.822 1.546 1.00 0.00 C ATOM 168 C SER A 16 2.175 -1.952 2.143 1.00 0.00 C ATOM 169 O SER A 16 1.330 -2.460 2.867 1.00 0.00 O ATOM 170 CB SER A 16 4.453 -2.826 2.565 1.00 0.00 C ATOM 171 OG SER A 16 5.294 -3.969 2.350 1.00 0.00 O ATOM 0 H SER A 16 4.778 -2.400 0.097 1.00 0.00 H new ATOM 0 HA SER A 16 2.913 -3.824 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.038 -1.911 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.050 -2.845 3.578 1.00 0.00 H new ATOM 0 HG SER A 16 6.025 -3.965 3.003 1.00 0.00 H new ATOM 174 N LYS A 17 2.171 -0.677 1.769 1.00 0.00 N ATOM 175 CA LYS A 17 1.104 0.285 2.094 1.00 0.00 C ATOM 176 C LYS A 17 0.123 0.594 0.941 1.00 0.00 C ATOM 177 O LYS A 17 -1.074 0.427 1.118 1.00 0.00 O ATOM 178 CB LYS A 17 1.715 1.546 2.692 1.00 0.00 C ATOM 179 CG LYS A 17 1.578 1.581 4.224 1.00 0.00 C ATOM 180 CD LYS A 17 2.230 0.388 4.940 1.00 0.00 C ATOM 181 CE LYS A 17 1.206 -0.402 5.773 1.00 0.00 C ATOM 182 NZ LYS A 17 0.765 0.388 6.931 1.00 0.00 N ATOM 0 H LYS A 17 2.924 -0.266 1.218 1.00 0.00 H new ATOM 0 HA LYS A 17 0.470 -0.199 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.769 1.602 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.229 2.423 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.024 2.503 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.520 1.612 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.688 -0.273 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.030 0.745 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.347 -0.661 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.649 -1.339 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.100 -0.173 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.589 0.643 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.293 1.254 6.601 1.00 0.00 H new ATOM 187 N ASN A 18 0.599 0.924 -0.244 1.00 0.00 N ATOM 188 CA ASN A 18 -0.195 1.225 -1.452 1.00 0.00 C ATOM 189 C ASN A 18 -1.108 0.052 -1.888 1.00 0.00 C ATOM 190 O ASN A 18 -2.322 0.220 -2.022 1.00 0.00 O ATOM 191 CB ASN A 18 0.748 1.642 -2.582 1.00 0.00 C ATOM 192 CG ASN A 18 0.000 2.373 -3.683 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.465 1.810 -4.664 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.151 3.676 -3.521 1.00 0.00 N ATOM 0 H ASN A 18 1.602 0.997 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.869 2.047 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.534 2.285 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.237 0.760 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.659 4.221 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.240 4.137 -2.699 1.00 0.00 H new ATOM 198 N TYR A 19 -0.534 -1.137 -1.918 1.00 0.00 N ATOM 199 CA TYR A 19 -1.232 -2.408 -2.217 1.00 0.00 C ATOM 200 C TYR A 19 -2.259 -2.744 -1.108 1.00 0.00 C ATOM 201 O TYR A 19 -3.362 -3.203 -1.405 1.00 0.00 O ATOM 202 CB TYR A 19 -0.176 -3.505 -2.304 1.00 0.00 C ATOM 203 CG TYR A 19 -0.457 -4.603 -3.327 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.711 -4.259 -4.669 1.00 0.00 C ATOM 205 CD2 TYR A 19 -0.336 -5.949 -2.917 1.00 0.00 C ATOM 206 CE1 TYR A 19 -0.867 -5.277 -5.622 1.00 0.00 C ATOM 207 CE2 TYR A 19 -0.483 -6.971 -3.866 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.761 -6.623 -5.204 1.00 0.00 C ATOM 209 OH TYR A 19 -0.971 -7.597 -6.122 1.00 0.00 O ATOM 0 H TYR A 19 0.460 -1.266 -1.732 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.778 -2.323 -3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.783 -3.045 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.072 -3.965 -1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.785 -3.222 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.132 -6.189 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.064 -5.036 -6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.385 -8.007 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.865 -8.474 -5.698 1.00 0.00 H new ATOM 212 N HIS A 20 -1.923 -2.397 0.131 1.00 0.00 N ATOM 213 CA HIS A 20 -2.810 -2.470 1.309 1.00 0.00 C ATOM 214 C HIS A 20 -3.914 -1.385 1.302 1.00 0.00 C ATOM 215 O HIS A 20 -5.047 -1.641 1.702 1.00 0.00 O ATOM 216 CB HIS A 20 -1.865 -2.433 2.533 1.00 0.00 C ATOM 217 CG HIS A 20 -2.404 -1.789 3.813 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.937 -2.393 4.862 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.431 -0.475 4.054 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.324 -1.476 5.728 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.032 -0.305 5.243 1.00 0.00 N ATOM 0 H HIS A 20 -0.994 -2.043 0.360 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.400 -3.386 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.574 -3.457 2.767 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.958 -1.902 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.043 0.303 3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.802 -1.665 6.678 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.227 0.591 5.690 1.00 0.00 H new ATOM 225 N LEU A 21 -3.627 -0.239 0.692 1.00 0.00 N ATOM 226 CA LEU A 21 -4.520 0.936 0.568 1.00 0.00 C ATOM 227 C LEU A 21 -5.712 0.648 -0.352 1.00 0.00 C ATOM 228 O LEU A 21 -6.840 1.017 -0.031 1.00 0.00 O ATOM 229 CB LEU A 21 -3.684 2.129 0.082 1.00 0.00 C ATOM 230 CG LEU A 21 -4.484 3.290 -0.519 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.242 4.086 0.554 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.574 4.180 -1.366 1.00 0.00 C ATOM 0 H LEU A 21 -2.723 -0.085 0.245 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.952 1.175 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.100 2.508 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.974 1.774 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.247 2.871 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.794 4.898 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.938 3.427 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.532 4.499 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.156 5.000 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.777 4.583 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.140 3.592 -2.174 1.00 0.00 H new ATOM 234 N GLU A 22 -5.426 -0.014 -1.479 1.00 0.00 N ATOM 235 CA GLU A 22 -6.488 -0.470 -2.417 1.00 0.00 C ATOM 236 C GLU A 22 -7.583 -1.281 -1.713 1.00 0.00 C ATOM 237 O GLU A 22 -8.774 -1.068 -1.963 1.00 0.00 O ATOM 238 CB GLU A 22 -5.845 -1.264 -3.550 1.00 0.00 C ATOM 239 CG GLU A 22 -6.231 -0.648 -4.898 1.00 0.00 C ATOM 240 CD GLU A 22 -5.546 -1.335 -6.070 1.00 0.00 C ATOM 241 OE1 GLU A 22 -6.159 -1.737 -7.056 1.00 0.00 O ATOM 242 OE2 GLU A 22 -4.198 -1.484 -6.005 1.00 0.00 O ATOM 0 H GLU A 22 -4.478 -0.250 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.986 0.409 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.761 -1.264 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.170 -2.304 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.312 -0.710 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.970 0.410 -4.898 1.00 0.00 H new ATOM 245 N ASN A 23 -7.186 -1.998 -0.663 1.00 0.00 N ATOM 246 CA ASN A 23 -8.115 -2.745 0.216 1.00 0.00 C ATOM 247 C ASN A 23 -9.039 -1.805 1.008 1.00 0.00 C ATOM 248 O ASN A 23 -10.246 -2.033 1.088 1.00 0.00 O ATOM 249 CB ASN A 23 -7.291 -3.629 1.168 1.00 0.00 C ATOM 250 CG ASN A 23 -8.062 -4.837 1.652 1.00 0.00 C ATOM 251 OD1 ASN A 23 -9.185 -4.636 2.330 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -7.702 -5.985 1.422 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.208 -2.084 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.760 -3.366 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.386 -3.960 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.975 -3.036 2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.841 -6.155 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.263 -6.771 1.750 1.00 0.00 H new ATOM 256 N GLU A 24 -8.475 -0.746 1.607 1.00 0.00 N ATOM 257 CA GLU A 24 -9.264 0.303 2.313 1.00 0.00 C ATOM 258 C GLU A 24 -10.243 1.037 1.394 1.00 0.00 C ATOM 259 O GLU A 24 -11.432 1.131 1.725 1.00 0.00 O ATOM 260 CB GLU A 24 -8.356 1.316 2.999 1.00 0.00 C ATOM 261 CG GLU A 24 -7.998 0.904 4.440 1.00 0.00 C ATOM 262 CD GLU A 24 -7.269 -0.437 4.491 1.00 0.00 C ATOM 263 OE1 GLU A 24 -6.137 -0.581 4.047 1.00 0.00 O ATOM 264 OE2 GLU A 24 -7.977 -1.489 4.942 1.00 0.00 O ATOM 0 H GLU A 24 -7.468 -0.583 1.622 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.849 -0.228 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.440 1.430 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.848 2.289 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.372 1.674 4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.909 0.844 5.036 1.00 0.00 H new ATOM 267 N VAL A 25 -9.753 1.477 0.242 1.00 0.00 N ATOM 268 CA VAL A 25 -10.566 2.039 -0.864 1.00 0.00 C ATOM 269 C VAL A 25 -11.781 1.137 -1.132 1.00 0.00 C ATOM 270 O VAL A 25 -12.883 1.667 -1.136 1.00 0.00 O ATOM 271 CB VAL A 25 -9.733 2.258 -2.143 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.573 2.864 -3.275 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.547 3.183 -1.893 1.00 0.00 C ATOM 0 H VAL A 25 -8.755 1.459 0.031 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.921 3.022 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.377 1.270 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.948 3.002 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.398 2.193 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.970 3.828 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.985 3.312 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.908 4.152 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.899 2.747 -1.133 1.00 0.00 H new ATOM 275 N ALA A 26 -11.601 -0.182 -1.102 1.00 0.00 N ATOM 276 CA ALA A 26 -12.713 -1.143 -1.208 1.00 0.00 C ATOM 277 C ALA A 26 -13.712 -1.006 -0.037 1.00 0.00 C ATOM 278 O ALA A 26 -14.770 -0.463 -0.294 1.00 0.00 O ATOM 279 CB ALA A 26 -12.194 -2.574 -1.342 1.00 0.00 C ATOM 0 H ALA A 26 -10.685 -0.620 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.262 -0.903 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.037 -3.261 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.578 -2.655 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.597 -2.828 -0.466 1.00 0.00 H new ATOM 281 N ARG A 27 -13.294 -1.237 1.212 1.00 0.00 N ATOM 282 CA ARG A 27 -14.149 -1.068 2.412 1.00 0.00 C ATOM 283 C ARG A 27 -14.928 0.276 2.427 1.00 0.00 C ATOM 284 O ARG A 27 -16.136 0.272 2.640 1.00 0.00 O ATOM 285 CB ARG A 27 -13.331 -1.275 3.695 1.00 0.00 C ATOM 286 CG ARG A 27 -14.114 -1.125 5.009 1.00 0.00 C ATOM 287 CD ARG A 27 -15.349 -2.032 5.109 1.00 0.00 C ATOM 288 NE ARG A 27 -16.539 -1.190 5.314 1.00 0.00 N ATOM 289 CZ ARG A 27 -17.565 -1.457 6.112 1.00 0.00 C ATOM 290 NH1 ARG A 27 -17.988 -2.703 6.300 1.00 0.00 N ATOM 291 NH2 ARG A 27 -18.428 -0.495 6.404 1.00 0.00 N ATOM 0 H ARG A 27 -12.348 -1.549 1.430 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.914 -1.843 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.889 -2.271 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.507 -0.561 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.448 -1.343 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.429 -0.087 5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -15.457 -2.624 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -15.236 -2.734 5.935 1.00 0.00 H new ATOM 0 HE ARG A 27 -16.579 -0.315 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -17.522 -3.477 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -18.779 -2.885 6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -18.300 0.440 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -19.220 -0.689 7.016 1.00 0.00 H new ATOM 298 N LEU A 28 -14.258 1.340 2.019 1.00 0.00 N ATOM 299 CA LEU A 28 -14.792 2.693 1.804 1.00 0.00 C ATOM 300 C LEU A 28 -15.829 2.744 0.643 1.00 0.00 C ATOM 301 O LEU A 28 -16.986 3.092 0.843 1.00 0.00 O ATOM 302 CB LEU A 28 -13.574 3.592 1.570 1.00 0.00 C ATOM 303 CG LEU A 28 -13.846 4.890 0.801 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.562 5.924 1.675 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.545 5.468 0.248 1.00 0.00 C ATOM 0 H LEU A 28 -13.260 1.289 1.813 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.358 3.039 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.143 3.848 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.822 3.020 1.027 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.505 4.647 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.738 6.831 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.516 5.518 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.943 6.161 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.758 6.389 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.863 5.681 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.085 4.747 -0.427 1.00 0.00 H new ATOM 307 N LYS A 29 -15.388 2.379 -0.549 1.00 0.00 N ATOM 308 CA LYS A 29 -16.196 2.357 -1.772 1.00 0.00 C ATOM 309 C LYS A 29 -17.400 1.390 -1.616 1.00 0.00 C ATOM 310 O LYS A 29 -18.460 1.717 -2.100 1.00 0.00 O ATOM 311 CB LYS A 29 -15.348 1.960 -2.982 1.00 0.00 C ATOM 312 CG LYS A 29 -15.696 2.658 -4.303 1.00 0.00 C ATOM 313 CD LYS A 29 -17.190 2.584 -4.626 1.00 0.00 C ATOM 314 CE LYS A 29 -17.578 2.905 -6.066 1.00 0.00 C ATOM 315 NZ LYS A 29 -17.210 1.763 -6.913 1.00 0.00 N ATOM 0 H LYS A 29 -14.426 2.078 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.579 3.364 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.302 2.163 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.439 0.884 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.390 3.703 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.129 2.200 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.543 1.580 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.719 3.271 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.648 3.099 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.068 3.807 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.788 2.109 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.522 1.166 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.060 1.204 -7.130 1.00 0.00 H new ATOM 320 N LYS A 30 -17.293 0.337 -0.804 1.00 0.00 N ATOM 321 CA LYS A 30 -18.429 -0.540 -0.461 1.00 0.00 C ATOM 322 C LYS A 30 -19.667 0.276 -0.008 1.00 0.00 C ATOM 323 O LYS A 30 -20.772 0.026 -0.489 1.00 0.00 O ATOM 324 CB LYS A 30 -18.045 -1.567 0.614 1.00 0.00 C ATOM 325 CG LYS A 30 -16.899 -2.519 0.202 1.00 0.00 C ATOM 326 CD LYS A 30 -17.302 -3.681 -0.718 1.00 0.00 C ATOM 327 CE LYS A 30 -16.067 -4.325 -1.361 1.00 0.00 C ATOM 328 NZ LYS A 30 -15.666 -3.535 -2.535 1.00 0.00 N ATOM 0 H LYS A 30 -16.416 0.062 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.694 -1.080 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.753 -1.036 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.924 -2.161 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.127 -1.934 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.451 -2.933 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.851 -4.429 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.974 -3.318 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.249 -4.370 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.289 -5.351 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.839 -3.977 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.452 -3.500 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.423 -2.569 -2.237 1.00 0.00 H new ATOM 333 N LEU A 31 -19.407 1.407 0.660 1.00 0.00 N ATOM 334 CA LEU A 31 -20.434 2.391 1.051 1.00 0.00 C ATOM 335 C LEU A 31 -20.999 3.198 -0.144 1.00 0.00 C ATOM 336 O LEU A 31 -22.196 3.179 -0.381 1.00 0.00 O ATOM 337 CB LEU A 31 -19.910 3.371 2.125 1.00 0.00 C ATOM 338 CG LEU A 31 -19.683 2.711 3.492 1.00 0.00 C ATOM 339 CD1 LEU A 31 -18.299 2.089 3.622 1.00 0.00 C ATOM 340 CD2 LEU A 31 -19.900 3.738 4.604 1.00 0.00 C ATOM 0 H LEU A 31 -18.465 1.671 0.950 1.00 0.00 H new ATOM 0 HA LEU A 31 -21.249 1.798 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.973 3.809 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.621 4.189 2.238 1.00 0.00 H new ATOM 0 HG LEU A 31 -20.406 1.901 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -18.194 1.637 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -18.171 1.324 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.540 2.861 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -19.738 3.265 5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.197 4.562 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -20.920 4.120 4.553 1.00 0.00 H new ATOM 342 N VAL A 32 -20.110 3.715 -0.985 1.00 0.00 N ATOM 343 CA VAL A 32 -20.470 4.515 -2.198 1.00 0.00 C ATOM 344 C VAL A 32 -20.666 3.599 -3.441 1.00 0.00 C ATOM 345 O VAL A 32 -20.680 4.054 -4.590 1.00 0.00 O ATOM 346 CB VAL A 32 -19.398 5.603 -2.494 1.00 0.00 C ATOM 347 CG1 VAL A 32 -19.984 6.720 -3.364 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.751 6.234 -1.258 1.00 0.00 C ATOM 0 H VAL A 32 -19.104 3.602 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.416 5.014 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.608 5.065 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.217 7.470 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -20.330 6.301 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.822 7.184 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.019 6.979 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.519 6.713 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.254 5.460 -0.672 1.00 0.00 H new ATOM 350 N GLY A 33 -20.858 2.312 -3.173 1.00 0.00 N ATOM 351 CA GLY A 33 -21.001 1.245 -4.179 1.00 0.00 C ATOM 352 C GLY A 33 -22.340 0.512 -4.035 1.00 0.00 C ATOM 353 O GLY A 33 -23.043 0.296 -5.024 1.00 0.00 O ATOM 0 H GLY A 33 -20.922 1.962 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.925 1.673 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.182 0.533 -4.075 1.00 0.00 H new ATOM 355 N GLU A 34 -22.718 0.253 -2.783 1.00 0.00 N ATOM 356 CA GLU A 34 -24.046 -0.341 -2.486 1.00 0.00 C ATOM 357 C GLU A 34 -25.090 0.760 -2.175 1.00 0.00 C ATOM 358 O GLU A 34 -25.955 0.623 -1.310 1.00 0.00 O ATOM 359 CB GLU A 34 -23.857 -1.336 -1.335 1.00 0.00 C ATOM 360 CG GLU A 34 -24.768 -2.567 -1.454 1.00 0.00 C ATOM 361 CD GLU A 34 -26.251 -2.225 -1.357 1.00 0.00 C ATOM 362 OE1 GLU A 34 -26.989 -2.152 -2.338 1.00 0.00 O ATOM 363 OE2 GLU A 34 -26.750 -2.061 -0.109 1.00 0.00 O ATOM 0 H GLU A 34 -22.142 0.437 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.442 -0.873 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -22.817 -1.661 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.057 -0.832 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -24.577 -3.062 -2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -24.513 -3.278 -0.668 1.00 0.00 H new ATOM 366 N ARG A 35 -24.979 1.858 -2.925 1.00 0.00 N ATOM 367 CA ARG A 35 -25.922 2.995 -2.808 1.00 0.00 C ATOM 368 C ARG A 35 -26.562 3.360 -4.168 1.00 0.00 C ATOM 369 O ARG A 35 -25.925 4.109 -4.946 1.00 0.00 O ATOM 370 CB ARG A 35 -25.213 4.196 -2.173 1.00 0.00 C ATOM 371 CG ARG A 35 -26.216 5.216 -1.659 1.00 0.00 C ATOM 372 CD ARG A 35 -25.693 6.640 -1.859 1.00 0.00 C ATOM 373 NE ARG A 35 -25.437 7.419 -0.631 1.00 0.00 N ATOM 374 CZ ARG A 35 -26.337 7.844 0.264 1.00 0.00 C ATOM 375 NH1 ARG A 35 -27.265 7.061 0.801 1.00 0.00 N ATOM 376 NH2 ARG A 35 -26.627 9.137 0.243 1.00 0.00 N ATOM 377 OXT ARG A 35 -27.650 2.804 -4.440 1.00 0.00 O ATOM 0 H ARG A 35 -24.248 1.993 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 35 -26.742 2.693 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.582 3.857 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.557 4.664 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -27.165 5.095 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.411 5.040 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.767 6.588 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.413 7.187 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.464 7.661 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -27.318 6.078 0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -27.924 7.443 1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.171 9.751 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -27.306 9.518 0.902 1.00 0.00 H new TER 384 ARG A 35