USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=10 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+ 174:sc= 0 (180deg=-0.0328) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0287 F(o=-1.4!,f=-0.029) USER MOD Single : A 4 MET CE :methyl 173:sc= -1.47 (180deg=-1.72) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.783 X(o=-0.78,f=-1) 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+ -167:sc=-0.00381 (180deg=-0.178) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0156 F(o=-0.9,f=-0.016) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0.943 F(o=-0.057,f=0.94) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0492 (180deg=-0.516) USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -1.07 (180deg=-1.86) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 24.137 3.213 -6.824 1.00 0.00 N ATOM 2 CA LEU A 1 25.196 3.724 -5.921 1.00 0.00 C ATOM 3 C LEU A 1 25.362 2.965 -4.575 1.00 0.00 C ATOM 4 O LEU A 1 25.755 3.515 -3.550 1.00 0.00 O ATOM 5 CB LEU A 1 25.009 5.241 -5.718 1.00 0.00 C ATOM 6 CG LEU A 1 23.771 5.607 -4.882 1.00 0.00 C ATOM 7 CD1 LEU A 1 24.205 6.524 -3.733 1.00 0.00 C ATOM 8 CD2 LEU A 1 22.688 6.291 -5.711 1.00 0.00 C ATOM 0 H1 LEU A 1 24.042 3.848 -7.642 1.00 0.00 H new ATOM 0 H2 LEU A 1 24.391 2.260 -7.153 1.00 0.00 H new ATOM 0 H3 LEU A 1 23.233 3.172 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 1 26.142 3.528 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 1 25.897 5.645 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 1 24.933 5.722 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 1 23.339 4.683 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.336 6.791 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 1 24.932 6.005 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 1 24.656 7.429 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 1 21.837 6.528 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 1 23.086 7.210 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 1 22.367 5.624 -6.511 1.00 0.00 H new ATOM 12 N GLN A 2 25.116 1.655 -4.658 1.00 0.00 N ATOM 13 CA GLN A 2 25.100 0.726 -3.506 1.00 0.00 C ATOM 14 C GLN A 2 24.121 1.135 -2.397 1.00 0.00 C ATOM 15 O GLN A 2 24.422 1.182 -1.204 1.00 0.00 O ATOM 16 CB GLN A 2 26.502 0.554 -2.918 1.00 0.00 C ATOM 17 CG GLN A 2 27.336 -0.553 -3.562 1.00 0.00 C ATOM 18 CD GLN A 2 28.659 -0.779 -2.808 1.00 0.00 C ATOM 19 OE1 GLN A 2 28.704 -0.481 -1.534 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 29.648 -1.243 -3.363 1.00 0.00 N flip ATOM 0 H GLN A 2 24.917 1.192 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 2 24.748 -0.225 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 2 27.039 1.497 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.411 0.347 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.762 -1.480 -3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.548 -0.293 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 2 29.614 -1.475 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 2 30.505 -1.397 -2.832 1.00 0.00 H new ATOM 24 N ARG A 3 22.887 1.370 -2.839 1.00 0.00 N ATOM 25 CA ARG A 3 21.776 1.769 -1.955 1.00 0.00 C ATOM 26 C ARG A 3 20.499 0.933 -2.153 1.00 0.00 C ATOM 27 O ARG A 3 19.496 1.158 -1.484 1.00 0.00 O ATOM 28 CB ARG A 3 21.501 3.253 -2.170 1.00 0.00 C ATOM 29 CG ARG A 3 22.505 4.191 -1.494 1.00 0.00 C ATOM 30 CD ARG A 3 22.075 4.598 -0.085 1.00 0.00 C ATOM 31 NE ARG A 3 22.834 5.796 0.296 1.00 0.00 N ATOM 32 CZ ARG A 3 22.823 6.406 1.491 1.00 0.00 C ATOM 33 NH1 ARG A 3 22.044 6.000 2.479 1.00 0.00 N ATOM 34 NH2 ARG A 3 23.584 7.466 1.692 1.00 0.00 N ATOM 0 H ARG A 3 22.621 1.291 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 3 22.080 1.580 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 3 21.497 3.457 -3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.502 3.482 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.478 3.701 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.628 5.086 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.004 4.801 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.264 3.788 0.619 1.00 0.00 H new ATOM 0 HE ARG A 3 23.431 6.207 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 3 21.426 5.200 2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.061 6.487 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 3 24.177 7.818 0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 3 23.579 7.933 2.599 1.00 0.00 H new ATOM 41 N MET A 4 20.654 -0.192 -2.844 1.00 0.00 N ATOM 42 CA MET A 4 19.541 -1.113 -3.162 1.00 0.00 C ATOM 43 C MET A 4 19.107 -2.006 -1.979 1.00 0.00 C ATOM 44 O MET A 4 18.147 -2.765 -2.081 1.00 0.00 O ATOM 45 CB MET A 4 19.892 -1.950 -4.402 1.00 0.00 C ATOM 46 CG MET A 4 20.185 -1.114 -5.651 1.00 0.00 C ATOM 47 SD MET A 4 18.852 0.045 -6.148 1.00 0.00 S ATOM 48 CE MET A 4 19.560 1.605 -5.631 1.00 0.00 C ATOM 0 H MET A 4 21.556 -0.502 -3.206 1.00 0.00 H new ATOM 0 HA MET A 4 18.672 -0.492 -3.378 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.762 -2.567 -4.177 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.066 -2.629 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.097 -0.542 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.385 -1.790 -6.482 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.928 2.423 -5.975 1.00 0.00 H new ATOM 0 HE2 MET A 4 19.628 1.631 -4.543 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.557 1.712 -6.059 1.00 0.00 H new ATOM 50 N LYS A 5 19.726 -1.734 -0.828 1.00 0.00 N ATOM 51 CA LYS A 5 19.411 -2.354 0.469 1.00 0.00 C ATOM 52 C LYS A 5 18.659 -1.404 1.430 1.00 0.00 C ATOM 53 O LYS A 5 17.861 -1.854 2.250 1.00 0.00 O ATOM 54 CB LYS A 5 20.693 -2.881 1.122 1.00 0.00 C ATOM 55 CG LYS A 5 20.557 -4.366 1.436 1.00 0.00 C ATOM 56 CD LYS A 5 20.612 -5.212 0.165 1.00 0.00 C ATOM 57 CE LYS A 5 19.799 -6.492 0.296 1.00 0.00 C ATOM 58 NZ LYS A 5 19.895 -7.248 -0.969 1.00 0.00 N ATOM 0 H LYS A 5 20.485 -1.055 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 5 18.733 -3.184 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.541 -2.720 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.897 -2.326 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.355 -4.671 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.615 -4.545 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.236 -4.628 -0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.649 -5.463 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.173 -7.094 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.758 -6.257 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.343 -8.126 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.520 -6.670 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.891 -7.481 -1.159 1.00 0.00 H new ATOM 63 N GLN A 6 18.879 -0.100 1.259 1.00 0.00 N ATOM 64 CA GLN A 6 18.227 0.949 2.065 1.00 0.00 C ATOM 65 C GLN A 6 17.052 1.596 1.322 1.00 0.00 C ATOM 66 O GLN A 6 15.937 1.635 1.843 1.00 0.00 O ATOM 67 CB GLN A 6 19.227 2.032 2.476 1.00 0.00 C ATOM 68 CG GLN A 6 20.250 1.559 3.520 1.00 0.00 C ATOM 69 CD GLN A 6 21.225 0.491 2.988 1.00 0.00 C ATOM 70 OE1 GLN A 6 21.659 0.485 1.843 1.00 0.00 O ATOM 71 NE2 GLN A 6 21.480 -0.500 3.807 1.00 0.00 N ATOM 0 H GLN A 6 19.518 0.267 0.554 1.00 0.00 H new ATOM 0 HA GLN A 6 17.841 0.459 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.758 2.379 1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 6 18.681 2.886 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.822 2.418 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.718 1.156 4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 6 21.113 -0.483 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 6 22.046 -1.288 3.493 1.00 0.00 H new ATOM 75 N LEU A 7 17.261 1.934 0.056 1.00 0.00 N ATOM 76 CA LEU A 7 16.186 2.459 -0.809 1.00 0.00 C ATOM 77 C LEU A 7 15.050 1.451 -0.972 1.00 0.00 C ATOM 78 O LEU A 7 13.882 1.837 -0.863 1.00 0.00 O ATOM 79 CB LEU A 7 16.693 2.889 -2.186 1.00 0.00 C ATOM 80 CG LEU A 7 17.759 3.987 -2.103 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.266 4.287 -3.511 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.243 5.288 -1.478 1.00 0.00 C ATOM 0 H LEU A 7 18.167 1.857 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 7 15.805 3.345 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.107 2.024 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.854 3.246 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 7 18.554 3.614 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.026 5.067 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.699 3.384 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.436 4.624 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.048 6.022 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.418 5.677 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.895 5.092 -0.464 1.00 0.00 H new ATOM 84 N GLU A 8 15.405 0.162 -1.004 1.00 0.00 N ATOM 85 CA GLU A 8 14.416 -0.933 -1.028 1.00 0.00 C ATOM 86 C GLU A 8 13.437 -0.851 0.153 1.00 0.00 C ATOM 87 O GLU A 8 12.244 -0.813 -0.117 1.00 0.00 O ATOM 88 CB GLU A 8 15.041 -2.336 -1.117 1.00 0.00 C ATOM 89 CG GLU A 8 15.645 -2.850 0.200 1.00 0.00 C ATOM 90 CD GLU A 8 16.106 -4.307 0.174 1.00 0.00 C ATOM 91 OE1 GLU A 8 17.034 -4.696 0.866 1.00 0.00 O ATOM 92 OE2 GLU A 8 15.407 -5.174 -0.591 1.00 0.00 O ATOM 0 H GLU A 8 16.375 -0.155 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 8 13.858 -0.785 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.278 -3.039 -1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.820 -2.325 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.495 -2.220 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.905 -2.733 0.992 1.00 0.00 H new ATOM 95 N ASP A 9 13.914 -0.457 1.339 1.00 0.00 N ATOM 96 CA ASP A 9 13.090 -0.302 2.557 1.00 0.00 C ATOM 97 C ASP A 9 11.917 0.662 2.342 1.00 0.00 C ATOM 98 O ASP A 9 10.790 0.359 2.722 1.00 0.00 O ATOM 99 CB ASP A 9 13.985 0.178 3.695 1.00 0.00 C ATOM 100 CG ASP A 9 13.733 -0.536 5.032 1.00 0.00 C ATOM 101 OD1 ASP A 9 13.005 -1.522 5.149 1.00 0.00 O ATOM 102 OD2 ASP A 9 14.417 -0.063 6.087 1.00 0.00 O ATOM 0 H ASP A 9 14.898 -0.232 1.489 1.00 0.00 H new ATOM 0 HA ASP A 9 12.653 -1.269 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.027 0.035 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.837 1.249 3.833 1.00 0.00 H new ATOM 105 N LYS A 10 12.171 1.670 1.499 1.00 0.00 N ATOM 106 CA LYS A 10 11.191 2.698 1.095 1.00 0.00 C ATOM 107 C LYS A 10 10.396 2.259 -0.157 1.00 0.00 C ATOM 108 O LYS A 10 9.179 2.168 -0.105 1.00 0.00 O ATOM 109 CB LYS A 10 11.906 4.028 0.843 1.00 0.00 C ATOM 110 CG LYS A 10 12.672 4.491 2.095 1.00 0.00 C ATOM 111 CD LYS A 10 13.494 5.735 1.807 1.00 0.00 C ATOM 112 CE LYS A 10 14.431 6.101 2.974 1.00 0.00 C ATOM 113 NZ LYS A 10 13.699 6.670 4.122 1.00 0.00 N ATOM 0 H LYS A 10 13.085 1.801 1.065 1.00 0.00 H new ATOM 0 HA LYS A 10 10.476 2.827 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.599 3.920 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.178 4.787 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.967 4.696 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.327 3.691 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.086 5.576 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.825 6.571 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.972 5.211 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.175 6.819 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.370 6.901 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.203 7.534 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.007 5.977 4.470 1.00 0.00 H new ATOM 118 N VAL A 11 11.099 1.812 -1.200 1.00 0.00 N ATOM 119 CA VAL A 11 10.502 1.309 -2.457 1.00 0.00 C ATOM 120 C VAL A 11 9.525 0.121 -2.228 1.00 0.00 C ATOM 121 O VAL A 11 8.405 0.121 -2.729 1.00 0.00 O ATOM 122 CB VAL A 11 11.579 0.972 -3.513 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.977 0.637 -4.878 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.591 2.114 -3.719 1.00 0.00 C ATOM 0 H VAL A 11 12.119 1.786 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 11 9.901 2.126 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 11 12.090 0.098 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.777 0.408 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.319 -0.227 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.405 1.490 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.323 1.820 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.066 3.009 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.101 2.322 -2.779 1.00 0.00 H new ATOM 126 N GLU A 12 9.922 -0.805 -1.350 1.00 0.00 N ATOM 127 CA GLU A 12 9.092 -1.949 -0.900 1.00 0.00 C ATOM 128 C GLU A 12 7.903 -1.472 -0.045 1.00 0.00 C ATOM 129 O GLU A 12 6.774 -1.920 -0.261 1.00 0.00 O ATOM 130 CB GLU A 12 9.928 -3.012 -0.146 1.00 0.00 C ATOM 131 CG GLU A 12 10.296 -2.649 1.310 1.00 0.00 C ATOM 132 CD GLU A 12 11.317 -3.573 1.969 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.507 -3.536 1.697 1.00 0.00 O ATOM 134 OE2 GLU A 12 10.849 -4.387 2.933 1.00 0.00 O ATOM 0 H GLU A 12 10.846 -0.789 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 12 8.695 -2.427 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.373 -3.950 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.848 -3.189 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.686 -1.631 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.386 -2.652 1.910 1.00 0.00 H new ATOM 137 N GLU A 13 8.156 -0.479 0.809 1.00 0.00 N ATOM 138 CA GLU A 13 7.129 0.165 1.660 1.00 0.00 C ATOM 139 C GLU A 13 6.055 0.829 0.785 1.00 0.00 C ATOM 140 O GLU A 13 4.885 0.633 1.073 1.00 0.00 O ATOM 141 CB GLU A 13 7.827 1.161 2.611 1.00 0.00 C ATOM 142 CG GLU A 13 6.906 1.948 3.545 1.00 0.00 C ATOM 143 CD GLU A 13 6.662 3.361 3.019 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.379 4.306 3.317 1.00 0.00 O ATOM 145 OE2 GLU A 13 5.637 3.523 2.157 1.00 0.00 O ATOM 0 H GLU A 13 9.089 -0.087 0.938 1.00 0.00 H new ATOM 0 HA GLU A 13 6.614 -0.577 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.545 0.611 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.395 1.871 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.955 1.426 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.350 1.999 4.539 1.00 0.00 H new ATOM 148 N LEU A 14 6.446 1.306 -0.402 1.00 0.00 N ATOM 149 CA LEU A 14 5.514 1.914 -1.358 1.00 0.00 C ATOM 150 C LEU A 14 4.458 0.896 -1.798 1.00 0.00 C ATOM 151 O LEU A 14 3.281 1.080 -1.489 1.00 0.00 O ATOM 152 CB LEU A 14 6.182 2.485 -2.617 1.00 0.00 C ATOM 153 CG LEU A 14 7.310 3.488 -2.338 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.802 4.040 -3.680 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.925 4.626 -1.384 1.00 0.00 C ATOM 0 H LEU A 14 7.413 1.282 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 14 5.065 2.749 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.583 1.660 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.422 2.972 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 14 8.104 2.952 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.605 4.756 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.173 3.221 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.978 4.536 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.780 5.287 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.095 5.191 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.626 4.209 -0.422 1.00 0.00 H new ATOM 157 N LEU A 15 4.902 -0.225 -2.376 1.00 0.00 N ATOM 158 CA LEU A 15 4.002 -1.308 -2.803 1.00 0.00 C ATOM 159 C LEU A 15 3.186 -1.867 -1.632 1.00 0.00 C ATOM 160 O LEU A 15 1.963 -1.758 -1.659 1.00 0.00 O ATOM 161 CB LEU A 15 4.759 -2.444 -3.506 1.00 0.00 C ATOM 162 CG LEU A 15 5.800 -1.985 -4.538 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.331 -3.210 -5.266 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.292 -0.959 -5.555 1.00 0.00 C ATOM 0 H LEU A 15 5.888 -0.409 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 15 3.313 -0.864 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.260 -3.049 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.036 -3.090 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 15 6.582 -1.470 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.072 -2.902 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.793 -3.888 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.509 -3.719 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.098 -0.697 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.461 -1.385 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.955 -0.064 -5.032 1.00 0.00 H new ATOM 166 N SER A 16 3.877 -2.239 -0.550 1.00 0.00 N ATOM 167 CA SER A 16 3.223 -2.656 0.723 1.00 0.00 C ATOM 168 C SER A 16 2.150 -1.694 1.242 1.00 0.00 C ATOM 169 O SER A 16 1.134 -2.137 1.772 1.00 0.00 O ATOM 170 CB SER A 16 4.239 -2.906 1.844 1.00 0.00 C ATOM 171 OG SER A 16 4.622 -4.277 1.852 1.00 0.00 O ATOM 0 H SER A 16 4.896 -2.264 -0.517 1.00 0.00 H new ATOM 0 HA SER A 16 2.723 -3.586 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.116 -2.275 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.806 -2.634 2.807 1.00 0.00 H new ATOM 0 HG SER A 16 5.272 -4.431 2.569 1.00 0.00 H new ATOM 174 N LYS A 17 2.348 -0.394 1.013 1.00 0.00 N ATOM 175 CA LYS A 17 1.362 0.660 1.331 1.00 0.00 C ATOM 176 C LYS A 17 0.289 0.844 0.255 1.00 0.00 C ATOM 177 O LYS A 17 -0.888 0.872 0.586 1.00 0.00 O ATOM 178 CB LYS A 17 1.994 2.022 1.615 1.00 0.00 C ATOM 179 CG LYS A 17 2.704 2.034 2.972 1.00 0.00 C ATOM 180 CD LYS A 17 2.718 3.454 3.546 1.00 0.00 C ATOM 181 CE LYS A 17 3.534 3.553 4.835 1.00 0.00 C ATOM 182 NZ LYS A 17 3.053 2.584 5.839 1.00 0.00 N ATOM 0 H LYS A 17 3.206 -0.032 0.597 1.00 0.00 H new ATOM 0 HA LYS A 17 0.890 0.289 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.707 2.266 0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.224 2.793 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.197 1.359 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.725 1.668 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.130 4.139 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.695 3.774 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.586 3.367 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.465 4.564 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.464 2.813 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.016 2.631 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.340 1.624 5.560 1.00 0.00 H new ATOM 187 N ASN A 18 0.675 0.925 -1.011 1.00 0.00 N ATOM 188 CA ASN A 18 -0.263 1.065 -2.149 1.00 0.00 C ATOM 189 C ASN A 18 -1.230 -0.123 -2.238 1.00 0.00 C ATOM 190 O ASN A 18 -2.438 0.053 -2.414 1.00 0.00 O ATOM 191 CB ASN A 18 0.526 1.209 -3.463 1.00 0.00 C ATOM 192 CG ASN A 18 -0.292 1.900 -4.561 1.00 0.00 C ATOM 193 OD1 ASN A 18 -1.455 1.383 -4.894 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 0.086 2.922 -5.103 1.00 0.00 N flip ATOM 0 H ASN A 18 1.655 0.896 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.860 1.962 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.436 1.780 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.834 0.222 -3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.986 3.330 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.498 3.371 -5.809 1.00 0.00 H new ATOM 198 N TYR A 19 -0.685 -1.336 -2.088 1.00 0.00 N ATOM 199 CA TYR A 19 -1.477 -2.587 -1.968 1.00 0.00 C ATOM 200 C TYR A 19 -2.449 -2.550 -0.781 1.00 0.00 C ATOM 201 O TYR A 19 -3.650 -2.730 -0.961 1.00 0.00 O ATOM 202 CB TYR A 19 -0.536 -3.800 -1.884 1.00 0.00 C ATOM 203 CG TYR A 19 -0.036 -4.264 -3.253 1.00 0.00 C ATOM 204 CD1 TYR A 19 1.128 -3.694 -3.826 1.00 0.00 C ATOM 205 CD2 TYR A 19 -0.715 -5.325 -3.892 1.00 0.00 C ATOM 206 CE1 TYR A 19 1.628 -4.201 -5.045 1.00 0.00 C ATOM 207 CE2 TYR A 19 -0.230 -5.832 -5.111 1.00 0.00 C ATOM 208 CZ TYR A 19 0.941 -5.266 -5.672 1.00 0.00 C ATOM 209 OH TYR A 19 1.433 -5.761 -6.839 1.00 0.00 O ATOM 0 H TYR A 19 0.323 -1.489 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.091 -2.680 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.319 -3.547 -1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.056 -4.624 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.630 -2.875 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.604 -5.746 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.519 -3.783 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.742 -6.640 -5.611 1.00 0.00 H new ATOM 0 HH TYR A 19 0.858 -6.490 -7.153 1.00 0.00 H new ATOM 212 N HIS A 20 -1.986 -1.984 0.337 1.00 0.00 N ATOM 213 CA HIS A 20 -2.810 -1.731 1.539 1.00 0.00 C ATOM 214 C HIS A 20 -3.849 -0.591 1.349 1.00 0.00 C ATOM 215 O HIS A 20 -4.943 -0.614 1.923 1.00 0.00 O ATOM 216 CB HIS A 20 -1.795 -1.507 2.675 1.00 0.00 C ATOM 217 CG HIS A 20 -2.244 -0.628 3.834 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.784 -1.044 4.986 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.225 0.698 3.852 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.131 0.027 5.686 1.00 0.00 C ATOM 221 NE2 HIS A 20 -2.786 1.104 4.977 1.00 0.00 N ATOM 0 H HIS A 20 -1.017 -1.682 0.442 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.461 -2.573 1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.514 -2.481 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.895 -1.068 2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.821 1.336 3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.607 0.028 6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.931 2.074 5.256 1.00 0.00 H new ATOM 225 N LEU A 21 -3.510 0.384 0.512 1.00 0.00 N ATOM 226 CA LEU A 21 -4.336 1.558 0.164 1.00 0.00 C ATOM 227 C LEU A 21 -5.573 1.156 -0.636 1.00 0.00 C ATOM 228 O LEU A 21 -6.694 1.486 -0.256 1.00 0.00 O ATOM 229 CB LEU A 21 -3.446 2.575 -0.576 1.00 0.00 C ATOM 230 CG LEU A 21 -4.197 3.663 -1.346 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.857 4.690 -0.413 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.256 4.342 -2.342 1.00 0.00 C ATOM 0 H LEU A 21 -2.611 0.387 0.030 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.721 2.027 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.790 3.054 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.808 2.034 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.007 3.183 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.377 5.441 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.571 4.185 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.092 5.174 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.798 5.115 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.422 4.794 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.876 3.602 -3.046 1.00 0.00 H new ATOM 234 N GLU A 22 -5.351 0.358 -1.681 1.00 0.00 N ATOM 235 CA GLU A 22 -6.460 -0.200 -2.492 1.00 0.00 C ATOM 236 C GLU A 22 -7.421 -1.053 -1.660 1.00 0.00 C ATOM 237 O GLU A 22 -8.629 -1.000 -1.872 1.00 0.00 O ATOM 238 CB GLU A 22 -5.968 -0.947 -3.742 1.00 0.00 C ATOM 239 CG GLU A 22 -5.205 -2.239 -3.441 1.00 0.00 C ATOM 240 CD GLU A 22 -5.130 -3.204 -4.621 1.00 0.00 C ATOM 241 OE1 GLU A 22 -4.130 -3.866 -4.867 1.00 0.00 O ATOM 242 OE2 GLU A 22 -6.227 -3.312 -5.400 1.00 0.00 O ATOM 0 H GLU A 22 -4.421 0.078 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.027 0.659 -2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.826 -1.183 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.323 -0.283 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.192 -1.986 -3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.683 -2.744 -2.601 1.00 0.00 H new ATOM 245 N ASN A 23 -6.886 -1.679 -0.593 1.00 0.00 N ATOM 246 CA ASN A 23 -7.679 -2.412 0.416 1.00 0.00 C ATOM 247 C ASN A 23 -8.697 -1.501 1.125 1.00 0.00 C ATOM 248 O ASN A 23 -9.885 -1.845 1.181 1.00 0.00 O ATOM 249 CB ASN A 23 -6.782 -3.065 1.463 1.00 0.00 C ATOM 250 CG ASN A 23 -6.211 -4.399 0.982 1.00 0.00 C ATOM 251 OD1 ASN A 23 -6.954 -5.460 1.185 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -5.096 -4.520 0.500 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.884 -1.691 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.222 -3.185 -0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.963 -2.389 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.351 -3.224 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.517 -3.696 0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.744 -5.446 0.256 1.00 0.00 H new ATOM 256 N GLU A 24 -8.228 -0.333 1.567 1.00 0.00 N ATOM 257 CA GLU A 24 -9.097 0.698 2.170 1.00 0.00 C ATOM 258 C GLU A 24 -10.157 1.175 1.183 1.00 0.00 C ATOM 259 O GLU A 24 -11.332 0.919 1.419 1.00 0.00 O ATOM 260 CB GLU A 24 -8.312 1.861 2.782 1.00 0.00 C ATOM 261 CG GLU A 24 -9.251 2.957 3.321 1.00 0.00 C ATOM 262 CD GLU A 24 -9.073 3.234 4.809 1.00 0.00 C ATOM 263 OE1 GLU A 24 -9.865 2.854 5.659 1.00 0.00 O ATOM 264 OE2 GLU A 24 -8.052 4.053 5.137 1.00 0.00 O ATOM 0 H GLU A 24 -7.244 -0.069 1.521 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.613 0.222 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.682 1.490 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.647 2.288 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.078 3.878 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.284 2.662 3.136 1.00 0.00 H new ATOM 267 N VAL A 25 -9.724 1.774 0.084 1.00 0.00 N ATOM 268 CA VAL A 25 -10.591 2.265 -1.022 1.00 0.00 C ATOM 269 C VAL A 25 -11.712 1.258 -1.359 1.00 0.00 C ATOM 270 O VAL A 25 -12.871 1.649 -1.435 1.00 0.00 O ATOM 271 CB VAL A 25 -9.753 2.640 -2.264 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.614 3.306 -3.346 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.598 3.602 -1.922 1.00 0.00 C ATOM 0 H VAL A 25 -8.733 1.946 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.082 3.175 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.344 1.700 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.991 3.556 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.402 2.620 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.062 4.216 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.039 3.836 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.003 4.521 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.934 3.130 -1.197 1.00 0.00 H new ATOM 275 N ALA A 26 -11.372 -0.024 -1.275 1.00 0.00 N ATOM 276 CA ALA A 26 -12.310 -1.147 -1.409 1.00 0.00 C ATOM 277 C ALA A 26 -13.359 -1.219 -0.276 1.00 0.00 C ATOM 278 O ALA A 26 -14.524 -0.871 -0.519 1.00 0.00 O ATOM 279 CB ALA A 26 -11.536 -2.455 -1.553 1.00 0.00 C ATOM 0 H ALA A 26 -10.412 -0.325 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.890 -0.974 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.237 -3.284 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.903 -2.408 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.914 -2.609 -0.671 1.00 0.00 H new ATOM 281 N ARG A 27 -12.959 -1.598 0.937 1.00 0.00 N ATOM 282 CA ARG A 27 -13.854 -1.630 2.130 1.00 0.00 C ATOM 283 C ARG A 27 -14.628 -0.306 2.349 1.00 0.00 C ATOM 284 O ARG A 27 -15.811 -0.330 2.656 1.00 0.00 O ATOM 285 CB ARG A 27 -13.086 -2.041 3.403 1.00 0.00 C ATOM 286 CG ARG A 27 -12.017 -1.039 3.855 1.00 0.00 C ATOM 287 CD ARG A 27 -11.306 -1.418 5.157 1.00 0.00 C ATOM 288 NE ARG A 27 -9.882 -1.646 4.872 1.00 0.00 N ATOM 289 CZ ARG A 27 -8.847 -0.893 5.246 1.00 0.00 C ATOM 290 NH1 ARG A 27 -8.920 -0.017 6.230 1.00 0.00 N ATOM 291 NH2 ARG A 27 -7.647 -1.136 4.729 1.00 0.00 N ATOM 0 H ARG A 27 -12.004 -1.896 1.138 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.603 -2.394 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -13.801 -2.180 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.610 -3.006 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.273 -0.939 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.482 -0.061 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.420 -0.623 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.754 -2.316 5.584 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.660 -2.477 4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.795 0.106 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.101 0.537 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.526 -1.891 4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.847 -0.567 5.007 1.00 0.00 H new ATOM 298 N LEU A 28 -13.968 0.804 2.007 1.00 0.00 N ATOM 299 CA LEU A 28 -14.507 2.168 1.968 1.00 0.00 C ATOM 300 C LEU A 28 -15.679 2.278 0.977 1.00 0.00 C ATOM 301 O LEU A 28 -16.800 2.485 1.408 1.00 0.00 O ATOM 302 CB LEU A 28 -13.359 3.136 1.635 1.00 0.00 C ATOM 303 CG LEU A 28 -13.780 4.512 1.124 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.350 5.370 2.253 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.601 5.229 0.465 1.00 0.00 C ATOM 0 H LEU A 28 -12.986 0.774 1.734 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.918 2.435 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.751 3.271 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.721 2.669 0.884 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.561 4.362 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.641 6.344 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.223 4.876 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.593 5.503 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.923 6.207 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.799 5.354 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.239 4.637 -0.376 1.00 0.00 H new ATOM 307 N LYS A 29 -15.420 2.000 -0.299 1.00 0.00 N ATOM 308 CA LYS A 29 -16.457 2.073 -1.341 1.00 0.00 C ATOM 309 C LYS A 29 -17.611 1.086 -1.106 1.00 0.00 C ATOM 310 O LYS A 29 -18.769 1.422 -1.315 1.00 0.00 O ATOM 311 CB LYS A 29 -15.788 1.911 -2.693 1.00 0.00 C ATOM 312 CG LYS A 29 -16.409 2.887 -3.677 1.00 0.00 C ATOM 313 CD LYS A 29 -15.410 3.249 -4.780 1.00 0.00 C ATOM 314 CE LYS A 29 -16.045 4.152 -5.834 1.00 0.00 C ATOM 315 NZ LYS A 29 -17.142 3.438 -6.502 1.00 0.00 N ATOM 0 H LYS A 29 -14.501 1.721 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.939 3.050 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.717 2.095 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.908 0.889 -3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.303 2.447 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.723 3.790 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.548 3.751 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.042 2.338 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.422 5.062 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.296 4.455 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.347 3.892 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.865 2.448 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.991 3.468 -5.903 1.00 0.00 H new ATOM 320 N LYS A 30 -17.298 -0.026 -0.444 1.00 0.00 N ATOM 321 CA LYS A 30 -18.298 -0.999 0.058 1.00 0.00 C ATOM 322 C LYS A 30 -19.115 -0.513 1.262 1.00 0.00 C ATOM 323 O LYS A 30 -20.304 -0.801 1.348 1.00 0.00 O ATOM 324 CB LYS A 30 -17.641 -2.361 0.329 1.00 0.00 C ATOM 325 CG LYS A 30 -17.665 -3.194 -0.961 1.00 0.00 C ATOM 326 CD LYS A 30 -16.268 -3.700 -1.311 1.00 0.00 C ATOM 327 CE LYS A 30 -15.959 -3.359 -2.766 1.00 0.00 C ATOM 328 NZ LYS A 30 -14.537 -2.978 -2.819 1.00 0.00 N ATOM 0 H LYS A 30 -16.336 -0.290 -0.233 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.030 -1.110 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.615 -2.223 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.172 -2.884 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.342 -4.039 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.053 -2.590 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.528 -3.244 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.210 -4.778 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.155 -4.213 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.592 -2.543 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.454 -1.991 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.117 -3.073 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.036 -3.600 -3.485 1.00 0.00 H new ATOM 333 N LEU A 31 -18.529 0.362 2.090 1.00 0.00 N ATOM 334 CA LEU A 31 -19.226 1.008 3.227 1.00 0.00 C ATOM 335 C LEU A 31 -19.734 2.423 2.895 1.00 0.00 C ATOM 336 O LEU A 31 -20.329 3.105 3.733 1.00 0.00 O ATOM 337 CB LEU A 31 -18.346 0.899 4.498 1.00 0.00 C ATOM 338 CG LEU A 31 -17.438 2.085 4.829 1.00 0.00 C ATOM 339 CD1 LEU A 31 -18.078 2.977 5.899 1.00 0.00 C ATOM 340 CD2 LEU A 31 -16.063 1.613 5.333 1.00 0.00 C ATOM 0 H LEU A 31 -17.554 0.648 1.996 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.150 0.470 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -19.004 0.731 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.720 0.012 4.399 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.305 2.654 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.415 3.814 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -19.032 3.356 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.242 2.396 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.441 2.479 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.192 1.013 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.580 1.011 4.563 1.00 0.00 H new ATOM 342 N VAL A 32 -19.589 2.823 1.629 1.00 0.00 N ATOM 343 CA VAL A 32 -20.031 4.138 1.101 1.00 0.00 C ATOM 344 C VAL A 32 -20.989 3.980 -0.116 1.00 0.00 C ATOM 345 O VAL A 32 -21.544 4.944 -0.626 1.00 0.00 O ATOM 346 CB VAL A 32 -18.778 5.011 0.825 1.00 0.00 C ATOM 347 CG1 VAL A 32 -19.041 6.356 0.131 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.082 5.351 2.145 1.00 0.00 C ATOM 0 H VAL A 32 -19.152 2.236 0.918 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.634 4.661 1.844 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.178 4.399 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.097 6.882 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.509 6.180 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -19.704 6.961 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.203 5.964 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -18.770 5.901 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.777 4.431 2.643 1.00 0.00 H new ATOM 350 N GLY A 33 -21.317 2.721 -0.408 1.00 0.00 N ATOM 351 CA GLY A 33 -22.255 2.330 -1.488 1.00 0.00 C ATOM 352 C GLY A 33 -23.546 1.670 -0.974 1.00 0.00 C ATOM 353 O GLY A 33 -24.515 1.586 -1.716 1.00 0.00 O ATOM 0 H GLY A 33 -20.938 1.923 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.516 3.215 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.750 1.641 -2.165 1.00 0.00 H new ATOM 355 N GLU A 34 -23.528 1.259 0.293 1.00 0.00 N ATOM 356 CA GLU A 34 -24.608 0.500 0.981 1.00 0.00 C ATOM 357 C GLU A 34 -24.303 0.279 2.471 1.00 0.00 C ATOM 358 O GLU A 34 -23.789 -0.749 2.905 1.00 0.00 O ATOM 359 CB GLU A 34 -24.848 -0.845 0.268 1.00 0.00 C ATOM 360 CG GLU A 34 -26.199 -0.873 -0.449 1.00 0.00 C ATOM 361 CD GLU A 34 -27.332 -1.254 0.502 1.00 0.00 C ATOM 362 OE1 GLU A 34 -27.863 -0.461 1.273 1.00 0.00 O ATOM 363 OE2 GLU A 34 -27.712 -2.544 0.464 1.00 0.00 O ATOM 0 H GLU A 34 -22.735 1.446 0.906 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.517 1.099 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -24.050 -1.022 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.806 -1.655 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -26.401 0.106 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.160 -1.585 -1.273 1.00 0.00 H new ATOM 366 N ARG A 35 -24.601 1.321 3.235 1.00 0.00 N ATOM 367 CA ARG A 35 -24.401 1.356 4.709 1.00 0.00 C ATOM 368 C ARG A 35 -25.682 1.576 5.543 1.00 0.00 C ATOM 369 O ARG A 35 -26.772 1.454 4.937 1.00 0.00 O ATOM 370 CB ARG A 35 -23.288 2.375 5.063 1.00 0.00 C ATOM 371 CG ARG A 35 -23.304 3.693 4.278 1.00 0.00 C ATOM 372 CD ARG A 35 -24.572 4.527 4.454 1.00 0.00 C ATOM 373 NE ARG A 35 -24.563 5.180 5.765 1.00 0.00 N ATOM 374 CZ ARG A 35 -25.047 6.394 6.020 1.00 0.00 C ATOM 375 NH1 ARG A 35 -25.882 7.001 5.186 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.846 6.947 7.204 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.565 1.900 6.748 1.00 0.00 O ATOM 0 H ARG A 35 -24.994 2.185 2.861 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.084 0.354 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -23.361 2.608 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.322 1.895 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.446 4.292 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.176 3.470 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.637 5.277 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -25.452 3.890 4.361 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.154 4.664 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.169 6.537 4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -26.237 7.931 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.321 6.444 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -25.216 7.877 7.402 1.00 0.00 H new TER 384 ARG A 35