USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=11 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 Set 1.1: A 2 GLN :FLIP amide:sc= -2.84! C(o=-6.9!,f=-2.4!) USER MOD Set 1.2: A 6 GLN :FLIP amide:sc= -0.015 F(o=-12!,f=-2.4) USER MOD Set 1.3: A 10 LYS NZ :NH3+ -149:sc= 0.435 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -126:sc= -0.61 (180deg=-2.98!) USER MOD Single : A 4 MET CE :methyl 168:sc= -1.62 (180deg=-1.97) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= -0.0304 (180deg=-0.671) USER MOD Single : A 16 SER OG : rot 75:sc= 0.394 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -1.36 (180deg=-2.07!) USER MOD Single : A 18 ASN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.12) USER MOD Single : A 23 ASN : amide:sc= -2.86 K(o=-2.9,f=-7.3!) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= -0.228 (180deg=-2.1!) USER MOD Single : A 30 LYS NZ :NH3+ -150:sc= -0.105 (180deg=-0.856) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 17.329 10.678 -3.304 1.00 0.00 N ATOM 2 CA LEU A 1 17.889 9.351 -3.635 1.00 0.00 C ATOM 3 C LEU A 1 19.058 8.929 -2.721 1.00 0.00 C ATOM 4 O LEU A 1 19.778 9.772 -2.172 1.00 0.00 O ATOM 5 CB LEU A 1 18.327 9.323 -5.110 1.00 0.00 C ATOM 6 CG LEU A 1 17.169 9.113 -6.106 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.196 10.296 -6.188 1.00 0.00 C ATOM 8 CD2 LEU A 1 17.738 8.799 -7.490 1.00 0.00 C ATOM 0 H1 LEU A 1 16.303 10.595 -3.156 1.00 0.00 H new ATOM 0 H2 LEU A 1 17.776 11.037 -2.436 1.00 0.00 H new ATOM 0 H3 LEU A 1 17.513 11.338 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 1 17.094 8.625 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 1 18.830 10.261 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 1 19.058 8.526 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 1 16.584 8.273 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.410 10.072 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.751 10.469 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.735 11.189 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.920 8.650 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.359 9.630 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 1 18.341 7.893 -7.438 1.00 0.00 H new ATOM 12 N GLN A 2 19.173 7.623 -2.516 1.00 0.00 N ATOM 13 CA GLN A 2 20.199 7.022 -1.624 1.00 0.00 C ATOM 14 C GLN A 2 20.539 5.557 -1.981 1.00 0.00 C ATOM 15 O GLN A 2 20.637 4.699 -1.101 1.00 0.00 O ATOM 16 CB GLN A 2 19.803 7.181 -0.144 1.00 0.00 C ATOM 17 CG GLN A 2 18.437 6.558 0.185 1.00 0.00 C ATOM 18 CD GLN A 2 18.326 5.996 1.607 1.00 0.00 C ATOM 19 OE1 GLN A 2 19.360 5.314 2.057 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 17.287 6.045 2.239 1.00 0.00 N flip ATOM 0 H GLN A 2 18.563 6.935 -2.958 1.00 0.00 H new ATOM 0 HA GLN A 2 21.121 7.580 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 2 20.567 6.719 0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 2 19.782 8.241 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.663 7.313 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 2 18.235 5.757 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.495 6.577 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.208 5.554 3.130 1.00 0.00 H new ATOM 24 N ARG A 3 20.759 5.329 -3.278 1.00 0.00 N ATOM 25 CA ARG A 3 21.057 4.028 -3.941 1.00 0.00 C ATOM 26 C ARG A 3 19.792 3.170 -4.040 1.00 0.00 C ATOM 27 O ARG A 3 19.066 3.045 -3.055 1.00 0.00 O ATOM 28 CB ARG A 3 22.105 3.124 -3.263 1.00 0.00 C ATOM 29 CG ARG A 3 23.244 3.765 -2.480 1.00 0.00 C ATOM 30 CD ARG A 3 24.586 3.965 -3.190 1.00 0.00 C ATOM 31 NE ARG A 3 25.421 4.648 -2.191 1.00 0.00 N ATOM 32 CZ ARG A 3 25.260 5.922 -1.824 1.00 0.00 C ATOM 33 NH1 ARG A 3 24.898 6.846 -2.703 1.00 0.00 N ATOM 34 NH2 ARG A 3 25.734 6.352 -0.659 1.00 0.00 N ATOM 0 H ARG A 3 20.735 6.094 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 3 21.462 4.348 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 3 21.573 2.458 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.550 2.500 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.902 4.740 -2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 3 23.423 3.156 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 3 25.023 3.013 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 3 24.474 4.565 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 3 26.171 4.115 -1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 3 24.738 6.589 -3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.780 7.814 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.224 5.708 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 3 25.607 7.326 -0.385 1.00 0.00 H new ATOM 41 N MET A 4 19.610 2.469 -5.151 1.00 0.00 N ATOM 42 CA MET A 4 18.422 1.608 -5.382 1.00 0.00 C ATOM 43 C MET A 4 18.216 0.521 -4.318 1.00 0.00 C ATOM 44 O MET A 4 17.182 0.527 -3.674 1.00 0.00 O ATOM 45 CB MET A 4 18.404 0.993 -6.774 1.00 0.00 C ATOM 46 CG MET A 4 18.418 2.040 -7.892 1.00 0.00 C ATOM 47 SD MET A 4 17.163 3.362 -7.724 1.00 0.00 S ATOM 48 CE MET A 4 18.228 4.734 -7.304 1.00 0.00 C ATOM 0 H MET A 4 20.272 2.470 -5.927 1.00 0.00 H new ATOM 0 HA MET A 4 17.579 2.294 -5.297 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.268 0.338 -6.887 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.516 0.370 -6.878 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.406 2.499 -7.928 1.00 0.00 H new ATOM 0 HG3 MET A 4 18.267 1.534 -8.846 1.00 0.00 H new ATOM 0 HE1 MET A 4 17.666 5.665 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.599 4.608 -6.287 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.069 4.767 -7.996 1.00 0.00 H new ATOM 50 N LYS A 5 19.289 -0.177 -3.988 1.00 0.00 N ATOM 51 CA LYS A 5 19.329 -1.164 -2.876 1.00 0.00 C ATOM 52 C LYS A 5 18.892 -0.614 -1.501 1.00 0.00 C ATOM 53 O LYS A 5 18.397 -1.343 -0.652 1.00 0.00 O ATOM 54 CB LYS A 5 20.718 -1.814 -2.779 1.00 0.00 C ATOM 55 CG LYS A 5 21.847 -0.786 -2.780 1.00 0.00 C ATOM 56 CD LYS A 5 22.751 -0.996 -4.002 1.00 0.00 C ATOM 57 CE LYS A 5 23.801 0.113 -4.164 1.00 0.00 C ATOM 58 NZ LYS A 5 24.474 0.380 -2.886 1.00 0.00 N ATOM 0 H LYS A 5 20.178 -0.087 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 5 18.582 -1.914 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 5 20.774 -2.409 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.854 -2.499 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.432 0.222 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.432 -0.877 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.256 -1.958 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.135 -1.041 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.536 -0.181 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.323 1.023 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.346 0.920 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 23.843 0.930 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 24.711 -0.521 -2.424 1.00 0.00 H new ATOM 63 N GLN A 6 19.018 0.707 -1.345 1.00 0.00 N ATOM 64 CA GLN A 6 18.506 1.387 -0.155 1.00 0.00 C ATOM 65 C GLN A 6 17.125 2.051 -0.362 1.00 0.00 C ATOM 66 O GLN A 6 16.220 1.784 0.407 1.00 0.00 O ATOM 67 CB GLN A 6 19.564 2.351 0.374 1.00 0.00 C ATOM 68 CG GLN A 6 20.022 1.949 1.784 1.00 0.00 C ATOM 69 CD GLN A 6 19.122 2.479 2.905 1.00 0.00 C ATOM 70 OE1 GLN A 6 17.808 2.405 2.754 1.00 0.00 O flip ATOM 71 NE2 GLN A 6 19.564 3.039 3.901 1.00 0.00 N flip ATOM 0 H GLN A 6 19.467 1.322 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 6 18.316 0.631 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.420 2.362 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.161 3.363 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.061 0.861 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 6 21.037 2.314 1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.572 3.110 4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 6 18.924 3.435 4.590 1.00 0.00 H new ATOM 75 N LEU A 7 16.929 2.707 -1.508 1.00 0.00 N ATOM 76 CA LEU A 7 15.617 3.248 -1.907 1.00 0.00 C ATOM 77 C LEU A 7 14.523 2.168 -1.960 1.00 0.00 C ATOM 78 O LEU A 7 13.477 2.361 -1.366 1.00 0.00 O ATOM 79 CB LEU A 7 15.637 3.940 -3.267 1.00 0.00 C ATOM 80 CG LEU A 7 16.410 5.255 -3.240 1.00 0.00 C ATOM 81 CD1 LEU A 7 16.330 5.859 -4.632 1.00 0.00 C ATOM 82 CD2 LEU A 7 15.802 6.280 -2.268 1.00 0.00 C ATOM 0 H LEU A 7 17.670 2.881 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 7 15.389 3.978 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.085 3.274 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.613 4.130 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 7 17.429 5.039 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.874 6.804 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.773 5.172 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.286 6.036 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.392 7.196 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.777 6.501 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.805 5.870 -1.258 1.00 0.00 H new ATOM 84 N GLU A 8 14.857 1.005 -2.503 1.00 0.00 N ATOM 85 CA GLU A 8 13.954 -0.170 -2.533 1.00 0.00 C ATOM 86 C GLU A 8 13.472 -0.569 -1.122 1.00 0.00 C ATOM 87 O GLU A 8 12.278 -0.688 -0.958 1.00 0.00 O ATOM 88 CB GLU A 8 14.523 -1.360 -3.323 1.00 0.00 C ATOM 89 CG GLU A 8 15.703 -2.134 -2.711 1.00 0.00 C ATOM 90 CD GLU A 8 15.342 -3.045 -1.539 1.00 0.00 C ATOM 91 OE1 GLU A 8 14.221 -3.517 -1.369 1.00 0.00 O ATOM 92 OE2 GLU A 8 16.315 -3.290 -0.645 1.00 0.00 O ATOM 0 H GLU A 8 15.763 0.835 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 8 13.072 0.147 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.711 -2.067 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.835 -0.993 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.165 -2.738 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.453 -1.417 -2.376 1.00 0.00 H new ATOM 95 N ASP A 9 14.332 -0.445 -0.114 1.00 0.00 N ATOM 96 CA ASP A 9 13.931 -0.669 1.296 1.00 0.00 C ATOM 97 C ASP A 9 12.806 0.283 1.756 1.00 0.00 C ATOM 98 O ASP A 9 11.854 -0.155 2.402 1.00 0.00 O ATOM 99 CB ASP A 9 15.123 -0.513 2.239 1.00 0.00 C ATOM 100 CG ASP A 9 15.763 -1.835 2.654 1.00 0.00 C ATOM 101 OD1 ASP A 9 15.173 -2.906 2.603 1.00 0.00 O ATOM 102 OD2 ASP A 9 17.016 -1.761 3.138 1.00 0.00 O ATOM 0 H ASP A 9 15.313 -0.191 -0.234 1.00 0.00 H new ATOM 0 HA ASP A 9 13.553 -1.690 1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.877 0.108 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.798 0.018 3.134 1.00 0.00 H new ATOM 105 N LYS A 10 12.851 1.483 1.210 1.00 0.00 N ATOM 106 CA LYS A 10 11.918 2.590 1.519 1.00 0.00 C ATOM 107 C LYS A 10 10.661 2.511 0.627 1.00 0.00 C ATOM 108 O LYS A 10 9.567 2.850 1.057 1.00 0.00 O ATOM 109 CB LYS A 10 12.598 3.957 1.352 1.00 0.00 C ATOM 110 CG LYS A 10 14.051 4.132 1.859 1.00 0.00 C ATOM 111 CD LYS A 10 14.381 3.315 3.116 1.00 0.00 C ATOM 112 CE LYS A 10 15.493 3.898 3.984 1.00 0.00 C ATOM 113 NZ LYS A 10 15.950 2.854 4.915 1.00 0.00 N ATOM 0 H LYS A 10 13.553 1.739 0.516 1.00 0.00 H new ATOM 0 HA LYS A 10 11.617 2.484 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.586 4.204 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.980 4.698 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.739 3.847 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.226 5.187 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.478 3.223 3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.666 2.307 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.320 4.240 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.129 4.765 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.273 3.295 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.165 2.203 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.735 2.325 4.485 1.00 0.00 H new ATOM 118 N VAL A 11 10.841 1.975 -0.582 1.00 0.00 N ATOM 119 CA VAL A 11 9.772 1.719 -1.577 1.00 0.00 C ATOM 120 C VAL A 11 8.987 0.416 -1.254 1.00 0.00 C ATOM 121 O VAL A 11 7.787 0.325 -1.513 1.00 0.00 O ATOM 122 CB VAL A 11 10.316 1.727 -3.017 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.176 1.745 -4.051 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.202 2.952 -3.324 1.00 0.00 C ATOM 0 H VAL A 11 11.763 1.694 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 11 9.061 2.542 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 11 10.908 0.815 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.597 1.750 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.554 0.859 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.568 2.639 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.554 2.898 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.622 3.864 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.058 2.961 -2.649 1.00 0.00 H new ATOM 126 N GLU A 12 9.655 -0.526 -0.608 1.00 0.00 N ATOM 127 CA GLU A 12 9.081 -1.802 -0.143 1.00 0.00 C ATOM 128 C GLU A 12 8.014 -1.606 0.944 1.00 0.00 C ATOM 129 O GLU A 12 6.867 -2.005 0.762 1.00 0.00 O ATOM 130 CB GLU A 12 10.173 -2.745 0.371 1.00 0.00 C ATOM 131 CG GLU A 12 10.864 -3.508 -0.763 1.00 0.00 C ATOM 132 CD GLU A 12 9.894 -4.407 -1.536 1.00 0.00 C ATOM 133 OE1 GLU A 12 9.824 -4.410 -2.762 1.00 0.00 O ATOM 134 OE2 GLU A 12 9.054 -5.168 -0.803 1.00 0.00 O ATOM 0 H GLU A 12 10.645 -0.431 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 12 8.596 -2.251 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.916 -2.170 0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.735 -3.457 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.322 -2.796 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.669 -4.116 -0.351 1.00 0.00 H new ATOM 137 N GLU A 13 8.375 -0.769 1.923 1.00 0.00 N ATOM 138 CA GLU A 13 7.466 -0.319 3.001 1.00 0.00 C ATOM 139 C GLU A 13 6.217 0.384 2.427 1.00 0.00 C ATOM 140 O GLU A 13 5.118 0.210 2.959 1.00 0.00 O ATOM 141 CB GLU A 13 8.222 0.620 3.929 1.00 0.00 C ATOM 142 CG GLU A 13 9.352 -0.101 4.677 1.00 0.00 C ATOM 143 CD GLU A 13 10.384 0.883 5.222 1.00 0.00 C ATOM 144 OE1 GLU A 13 10.933 1.737 4.529 1.00 0.00 O ATOM 145 OE2 GLU A 13 10.708 0.770 6.522 1.00 0.00 O ATOM 0 H GLU A 13 9.314 -0.377 1.996 1.00 0.00 H new ATOM 0 HA GLU A 13 7.123 -1.191 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.638 1.445 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.529 1.054 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.932 -0.681 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.841 -0.807 4.006 1.00 0.00 H new ATOM 148 N LEU A 14 6.383 1.026 1.277 1.00 0.00 N ATOM 149 CA LEU A 14 5.280 1.668 0.543 1.00 0.00 C ATOM 150 C LEU A 14 4.301 0.596 0.039 1.00 0.00 C ATOM 151 O LEU A 14 3.212 0.521 0.575 1.00 0.00 O ATOM 152 CB LEU A 14 5.704 2.548 -0.641 1.00 0.00 C ATOM 153 CG LEU A 14 6.761 3.605 -0.312 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.001 4.451 -1.561 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.421 4.499 0.882 1.00 0.00 C ATOM 0 H LEU A 14 7.289 1.121 0.818 1.00 0.00 H new ATOM 0 HA LEU A 14 4.814 2.340 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.088 1.905 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.821 3.049 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 14 7.662 3.071 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.752 5.211 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.352 3.812 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.070 4.934 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.226 5.216 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.492 5.034 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.302 3.885 1.774 1.00 0.00 H new ATOM 157 N LEU A 15 4.761 -0.306 -0.814 1.00 0.00 N ATOM 158 CA LEU A 15 3.915 -1.405 -1.348 1.00 0.00 C ATOM 159 C LEU A 15 3.225 -2.227 -0.235 1.00 0.00 C ATOM 160 O LEU A 15 2.006 -2.378 -0.277 1.00 0.00 O ATOM 161 CB LEU A 15 4.684 -2.333 -2.283 1.00 0.00 C ATOM 162 CG LEU A 15 5.604 -1.612 -3.276 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.184 -2.646 -4.246 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.948 -0.478 -4.066 1.00 0.00 C ATOM 0 H LEU A 15 5.719 -0.313 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 15 3.137 -0.908 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.283 -3.018 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.970 -2.939 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 15 6.378 -1.131 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.841 -2.148 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.752 -3.390 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.372 -3.137 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.680 -0.033 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.115 -0.874 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.581 0.282 -3.376 1.00 0.00 H new ATOM 166 N SER A 16 3.973 -2.523 0.831 1.00 0.00 N ATOM 167 CA SER A 16 3.439 -3.187 2.043 1.00 0.00 C ATOM 168 C SER A 16 2.171 -2.516 2.618 1.00 0.00 C ATOM 169 O SER A 16 1.172 -3.184 2.844 1.00 0.00 O ATOM 170 CB SER A 16 4.503 -3.252 3.139 1.00 0.00 C ATOM 171 OG SER A 16 5.631 -3.989 2.672 1.00 0.00 O ATOM 0 H SER A 16 4.969 -2.312 0.887 1.00 0.00 H new ATOM 0 HA SER A 16 3.157 -4.189 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.807 -2.245 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.092 -3.725 4.031 1.00 0.00 H new ATOM 0 HG SER A 16 6.141 -3.441 2.039 1.00 0.00 H new ATOM 174 N LYS A 17 2.205 -1.187 2.695 1.00 0.00 N ATOM 175 CA LYS A 17 1.023 -0.392 3.107 1.00 0.00 C ATOM 176 C LYS A 17 0.077 -0.061 1.927 1.00 0.00 C ATOM 177 O LYS A 17 -1.117 -0.079 2.118 1.00 0.00 O ATOM 178 CB LYS A 17 1.355 0.879 3.893 1.00 0.00 C ATOM 179 CG LYS A 17 2.235 1.864 3.120 1.00 0.00 C ATOM 180 CD LYS A 17 2.341 3.225 3.796 1.00 0.00 C ATOM 181 CE LYS A 17 3.548 4.000 3.256 1.00 0.00 C ATOM 182 NZ LYS A 17 4.776 3.343 3.728 1.00 0.00 N ATOM 0 H LYS A 17 3.031 -0.628 2.480 1.00 0.00 H new ATOM 0 HA LYS A 17 0.497 -1.055 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.426 1.376 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.860 0.603 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.233 1.441 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.830 1.994 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.428 3.795 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.437 3.096 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.526 4.023 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.517 5.035 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.571 4.011 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.649 3.038 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.977 2.514 3.133 1.00 0.00 H new ATOM 187 N ASN A 18 0.613 0.183 0.739 1.00 0.00 N ATOM 188 CA ASN A 18 -0.157 0.514 -0.482 1.00 0.00 C ATOM 189 C ASN A 18 -1.119 -0.624 -0.897 1.00 0.00 C ATOM 190 O ASN A 18 -2.280 -0.357 -1.174 1.00 0.00 O ATOM 191 CB ASN A 18 0.789 0.868 -1.629 1.00 0.00 C ATOM 192 CG ASN A 18 0.192 1.761 -2.720 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.883 2.470 -3.423 1.00 0.00 O ATOM 194 ND2 ASN A 18 -1.118 1.729 -2.915 1.00 0.00 N ATOM 0 H ASN A 18 1.620 0.159 0.579 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.774 1.382 -0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.665 1.366 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.136 -0.057 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.538 2.297 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.706 1.136 -2.329 1.00 0.00 H new ATOM 198 N TYR A 19 -0.619 -1.852 -0.848 1.00 0.00 N ATOM 199 CA TYR A 19 -1.436 -3.091 -1.010 1.00 0.00 C ATOM 200 C TYR A 19 -2.558 -3.183 0.047 1.00 0.00 C ATOM 201 O TYR A 19 -3.704 -3.489 -0.283 1.00 0.00 O ATOM 202 CB TYR A 19 -0.541 -4.334 -0.960 1.00 0.00 C ATOM 203 CG TYR A 19 0.102 -4.674 -2.316 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.699 -5.321 -3.282 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.472 -4.425 -2.531 1.00 0.00 C ATOM 206 CE1 TYR A 19 -0.106 -5.737 -4.491 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.065 -4.841 -3.740 1.00 0.00 C ATOM 208 CZ TYR A 19 1.264 -5.488 -4.707 1.00 0.00 C ATOM 209 OH TYR A 19 1.822 -5.889 -5.888 1.00 0.00 O ATOM 0 H TYR A 19 0.372 -2.039 -0.694 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.915 -3.043 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.245 -4.178 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.132 -5.185 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.749 -5.494 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.061 -3.921 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.695 -6.241 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.115 -4.668 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 19 2.773 -5.651 -5.898 1.00 0.00 H new ATOM 212 N HIS A 20 -2.235 -2.701 1.248 1.00 0.00 N ATOM 213 CA HIS A 20 -3.150 -2.568 2.409 1.00 0.00 C ATOM 214 C HIS A 20 -3.917 -1.211 2.474 1.00 0.00 C ATOM 215 O HIS A 20 -4.745 -0.985 3.354 1.00 0.00 O ATOM 216 CB HIS A 20 -2.281 -2.879 3.632 1.00 0.00 C ATOM 217 CG HIS A 20 -2.710 -2.265 4.965 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.602 -2.747 5.820 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.417 -1.021 5.344 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.907 -1.799 6.692 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.193 -0.726 6.392 1.00 0.00 N ATOM 0 H HIS A 20 -1.292 -2.376 1.459 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.985 -3.265 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.244 -3.961 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.265 -2.548 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.686 -0.370 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.613 -1.886 7.504 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.229 0.171 6.876 1.00 0.00 H new ATOM 225 N LEU A 21 -3.750 -0.389 1.444 1.00 0.00 N ATOM 226 CA LEU A 21 -4.393 0.943 1.347 1.00 0.00 C ATOM 227 C LEU A 21 -5.458 0.945 0.241 1.00 0.00 C ATOM 228 O LEU A 21 -6.638 1.217 0.497 1.00 0.00 O ATOM 229 CB LEU A 21 -3.284 1.981 1.096 1.00 0.00 C ATOM 230 CG LEU A 21 -3.758 3.387 0.736 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.488 4.080 1.893 1.00 0.00 C ATOM 232 CD2 LEU A 21 -2.554 4.219 0.277 1.00 0.00 C ATOM 0 H LEU A 21 -3.164 -0.617 0.641 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.913 1.195 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.664 2.045 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.646 1.616 0.291 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.483 3.301 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.802 5.076 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.364 3.495 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.818 4.163 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.884 5.225 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.821 4.274 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.099 3.750 -0.596 1.00 0.00 H new ATOM 234 N GLU A 22 -5.055 0.472 -0.934 1.00 0.00 N ATOM 235 CA GLU A 22 -5.952 0.302 -2.088 1.00 0.00 C ATOM 236 C GLU A 22 -7.005 -0.812 -1.855 1.00 0.00 C ATOM 237 O GLU A 22 -8.147 -0.667 -2.297 1.00 0.00 O ATOM 238 CB GLU A 22 -5.085 0.106 -3.334 1.00 0.00 C ATOM 239 CG GLU A 22 -5.868 0.069 -4.654 1.00 0.00 C ATOM 240 CD GLU A 22 -6.071 -1.372 -5.137 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.132 -2.124 -5.340 1.00 0.00 O ATOM 242 OE2 GLU A 22 -7.332 -1.782 -5.338 1.00 0.00 O ATOM 0 H GLU A 22 -4.092 0.192 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.559 1.195 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.353 0.912 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.527 -0.825 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.837 0.550 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.332 0.638 -5.414 1.00 0.00 H new ATOM 245 N ASN A 23 -6.696 -1.766 -0.965 1.00 0.00 N ATOM 246 CA ASN A 23 -7.656 -2.810 -0.559 1.00 0.00 C ATOM 247 C ASN A 23 -8.790 -2.256 0.339 1.00 0.00 C ATOM 248 O ASN A 23 -9.935 -2.705 0.250 1.00 0.00 O ATOM 249 CB ASN A 23 -6.946 -4.002 0.123 1.00 0.00 C ATOM 250 CG ASN A 23 -6.480 -3.714 1.562 1.00 0.00 C ATOM 251 OD1 ASN A 23 -6.245 -2.584 1.940 1.00 0.00 O ATOM 252 ND2 ASN A 23 -6.448 -4.697 2.430 1.00 0.00 N ATOM 0 H ASN A 23 -5.786 -1.838 -0.510 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.121 -3.172 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.623 -4.856 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.082 -4.289 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.228 -4.507 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.643 -5.651 2.127 1.00 0.00 H new ATOM 256 N GLU A 24 -8.457 -1.269 1.161 1.00 0.00 N ATOM 257 CA GLU A 24 -9.376 -0.617 2.120 1.00 0.00 C ATOM 258 C GLU A 24 -10.291 0.394 1.434 1.00 0.00 C ATOM 259 O GLU A 24 -11.511 0.346 1.572 1.00 0.00 O ATOM 260 CB GLU A 24 -8.612 0.108 3.227 1.00 0.00 C ATOM 261 CG GLU A 24 -8.246 -0.800 4.404 1.00 0.00 C ATOM 262 CD GLU A 24 -8.307 -0.024 5.719 1.00 0.00 C ATOM 263 OE1 GLU A 24 -8.788 -0.505 6.739 1.00 0.00 O ATOM 264 OE2 GLU A 24 -7.917 1.263 5.716 1.00 0.00 O ATOM 0 H GLU A 24 -7.515 -0.880 1.189 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.977 -1.419 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.700 0.536 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.216 0.939 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.930 -1.648 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.244 -1.205 4.260 1.00 0.00 H new ATOM 267 N VAL A 25 -9.682 1.273 0.656 1.00 0.00 N ATOM 268 CA VAL A 25 -10.389 2.182 -0.256 1.00 0.00 C ATOM 269 C VAL A 25 -11.464 1.432 -1.085 1.00 0.00 C ATOM 270 O VAL A 25 -12.576 1.943 -1.176 1.00 0.00 O ATOM 271 CB VAL A 25 -9.366 2.977 -1.087 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.031 3.898 -2.104 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.525 3.880 -0.165 1.00 0.00 C ATOM 0 H VAL A 25 -8.668 1.384 0.633 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.957 2.917 0.313 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.756 2.237 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.265 4.435 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.634 3.305 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.670 4.613 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.804 4.439 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.180 4.577 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.995 3.265 0.562 1.00 0.00 H new ATOM 275 N ALA A 26 -11.239 0.162 -1.428 1.00 0.00 N ATOM 276 CA ALA A 26 -12.254 -0.702 -2.067 1.00 0.00 C ATOM 277 C ALA A 26 -13.534 -0.874 -1.238 1.00 0.00 C ATOM 278 O ALA A 26 -14.577 -0.339 -1.609 1.00 0.00 O ATOM 279 CB ALA A 26 -11.624 -2.054 -2.431 1.00 0.00 C ATOM 0 H ALA A 26 -10.346 -0.305 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.579 -0.197 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.374 -2.690 -2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.796 -1.895 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.254 -2.538 -1.527 1.00 0.00 H new ATOM 281 N ARG A 27 -13.434 -1.483 -0.053 1.00 0.00 N ATOM 282 CA ARG A 27 -14.566 -1.632 0.895 1.00 0.00 C ATOM 283 C ARG A 27 -15.245 -0.288 1.273 1.00 0.00 C ATOM 284 O ARG A 27 -16.426 -0.254 1.593 1.00 0.00 O ATOM 285 CB ARG A 27 -14.162 -2.417 2.158 1.00 0.00 C ATOM 286 CG ARG A 27 -13.116 -1.670 3.010 1.00 0.00 C ATOM 287 CD ARG A 27 -13.289 -1.831 4.514 1.00 0.00 C ATOM 288 NE ARG A 27 -14.674 -1.514 4.914 1.00 0.00 N ATOM 289 CZ ARG A 27 -15.296 -2.006 5.980 1.00 0.00 C ATOM 290 NH1 ARG A 27 -14.636 -2.706 6.901 1.00 0.00 N ATOM 291 NH2 ARG A 27 -16.616 -2.061 5.996 1.00 0.00 N ATOM 0 H ARG A 27 -12.564 -1.893 0.287 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.314 -2.213 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -15.049 -2.607 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.761 -3.388 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.123 -2.022 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.158 -0.609 2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.045 -2.852 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.594 -1.175 5.038 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.196 -0.865 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.635 -2.873 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.131 -3.076 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.150 -1.727 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.101 -2.437 6.811 1.00 0.00 H new ATOM 298 N LEU A 28 -14.446 0.777 1.257 1.00 0.00 N ATOM 299 CA LEU A 28 -14.892 2.178 1.444 1.00 0.00 C ATOM 300 C LEU A 28 -15.735 2.673 0.247 1.00 0.00 C ATOM 301 O LEU A 28 -16.886 3.067 0.418 1.00 0.00 O ATOM 302 CB LEU A 28 -13.634 3.024 1.705 1.00 0.00 C ATOM 303 CG LEU A 28 -13.735 4.503 1.292 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.691 5.287 2.174 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.356 5.158 1.304 1.00 0.00 C ATOM 0 H LEU A 28 -13.440 0.699 1.110 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.562 2.266 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.399 2.977 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.796 2.572 1.173 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.136 4.522 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.726 6.324 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.688 4.851 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.346 5.249 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.447 6.203 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.934 5.099 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.701 4.640 0.604 1.00 0.00 H new ATOM 307 N LYS A 29 -15.152 2.613 -0.944 1.00 0.00 N ATOM 308 CA LYS A 29 -15.805 3.029 -2.196 1.00 0.00 C ATOM 309 C LYS A 29 -17.085 2.240 -2.506 1.00 0.00 C ATOM 310 O LYS A 29 -17.952 2.753 -3.187 1.00 0.00 O ATOM 311 CB LYS A 29 -14.851 2.966 -3.381 1.00 0.00 C ATOM 312 CG LYS A 29 -13.760 4.036 -3.278 1.00 0.00 C ATOM 313 CD LYS A 29 -13.304 4.447 -4.684 1.00 0.00 C ATOM 314 CE LYS A 29 -12.124 5.421 -4.658 1.00 0.00 C ATOM 315 NZ LYS A 29 -10.899 4.696 -5.033 1.00 0.00 N ATOM 0 H LYS A 29 -14.200 2.271 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.098 4.067 -2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.391 1.979 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.409 3.102 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.139 4.905 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.914 3.652 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.023 3.556 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.139 4.907 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.300 6.245 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.016 5.855 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.090 5.087 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.007 3.688 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.733 4.800 -6.054 1.00 0.00 H new ATOM 320 N LYS A 30 -17.251 1.072 -1.879 1.00 0.00 N ATOM 321 CA LYS A 30 -18.527 0.337 -1.865 1.00 0.00 C ATOM 322 C LYS A 30 -19.710 1.160 -1.326 1.00 0.00 C ATOM 323 O LYS A 30 -20.760 1.211 -1.957 1.00 0.00 O ATOM 324 CB LYS A 30 -18.354 -0.962 -1.064 1.00 0.00 C ATOM 325 CG LYS A 30 -18.106 -2.191 -1.954 1.00 0.00 C ATOM 326 CD LYS A 30 -16.972 -1.997 -2.966 1.00 0.00 C ATOM 327 CE LYS A 30 -16.350 -3.312 -3.415 1.00 0.00 C ATOM 328 NZ LYS A 30 -15.683 -3.919 -2.256 1.00 0.00 N ATOM 0 H LYS A 30 -16.504 0.605 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.780 0.111 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.519 -0.847 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.246 -1.132 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.874 -3.047 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.024 -2.431 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.356 -1.466 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.200 -1.368 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.116 -3.981 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.635 -3.140 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.872 -4.484 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.350 -3.170 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.354 -4.533 -1.752 1.00 0.00 H new ATOM 333 N LEU A 31 -19.422 1.967 -0.313 1.00 0.00 N ATOM 334 CA LEU A 31 -20.424 2.891 0.271 1.00 0.00 C ATOM 335 C LEU A 31 -20.600 4.151 -0.606 1.00 0.00 C ATOM 336 O LEU A 31 -21.716 4.625 -0.784 1.00 0.00 O ATOM 337 CB LEU A 31 -20.035 3.284 1.706 1.00 0.00 C ATOM 338 CG LEU A 31 -19.718 2.175 2.744 1.00 0.00 C ATOM 339 CD1 LEU A 31 -20.189 0.747 2.418 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.250 2.217 3.136 1.00 0.00 C ATOM 0 H LEU A 31 -18.505 2.011 0.132 1.00 0.00 H new ATOM 0 HA LEU A 31 -21.379 2.366 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -19.160 3.930 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.848 3.887 2.111 1.00 0.00 H new ATOM 0 HG LEU A 31 -20.343 2.430 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -19.902 0.075 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -21.273 0.738 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -19.726 0.414 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.045 1.433 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -17.633 2.061 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.018 3.188 3.574 1.00 0.00 H new ATOM 342 N VAL A 32 -19.539 4.537 -1.303 1.00 0.00 N ATOM 343 CA VAL A 32 -19.519 5.663 -2.267 1.00 0.00 C ATOM 344 C VAL A 32 -19.865 5.169 -3.713 1.00 0.00 C ATOM 345 O VAL A 32 -19.832 5.935 -4.674 1.00 0.00 O ATOM 346 CB VAL A 32 -18.141 6.366 -2.176 1.00 0.00 C ATOM 347 CG1 VAL A 32 -17.978 7.581 -3.092 1.00 0.00 C ATOM 348 CG2 VAL A 32 -17.857 6.854 -0.745 1.00 0.00 C ATOM 0 H VAL A 32 -18.636 4.071 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.289 6.393 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.440 5.595 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.983 8.006 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.105 7.274 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.729 8.330 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.883 7.343 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -18.628 7.562 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -17.858 6.003 -0.064 1.00 0.00 H new ATOM 350 N GLY A 33 -20.377 3.947 -3.797 1.00 0.00 N ATOM 351 CA GLY A 33 -20.758 3.303 -5.079 1.00 0.00 C ATOM 352 C GLY A 33 -22.263 3.435 -5.336 1.00 0.00 C ATOM 353 O GLY A 33 -22.693 3.682 -6.459 1.00 0.00 O ATOM 0 H GLY A 33 -20.546 3.359 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.204 3.761 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.481 2.249 -5.057 1.00 0.00 H new ATOM 355 N GLU A 34 -23.024 3.240 -4.267 1.00 0.00 N ATOM 356 CA GLU A 34 -24.502 3.310 -4.273 1.00 0.00 C ATOM 357 C GLU A 34 -25.109 4.028 -3.045 1.00 0.00 C ATOM 358 O GLU A 34 -26.257 3.777 -2.683 1.00 0.00 O ATOM 359 CB GLU A 34 -25.052 1.893 -4.456 1.00 0.00 C ATOM 360 CG GLU A 34 -24.498 0.893 -3.428 1.00 0.00 C ATOM 361 CD GLU A 34 -25.021 -0.538 -3.606 1.00 0.00 C ATOM 362 OE1 GLU A 34 -25.534 -0.953 -4.641 1.00 0.00 O ATOM 363 OE2 GLU A 34 -24.861 -1.358 -2.553 1.00 0.00 O ATOM 0 H GLU A 34 -22.636 3.024 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.807 3.938 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -26.139 1.919 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.812 1.543 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -23.410 0.883 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -24.751 1.240 -2.426 1.00 0.00 H new ATOM 366 N ARG A 35 -24.341 4.955 -2.468 1.00 0.00 N ATOM 367 CA ARG A 35 -24.707 5.715 -1.231 1.00 0.00 C ATOM 368 C ARG A 35 -25.394 4.884 -0.120 1.00 0.00 C ATOM 369 O ARG A 35 -25.028 3.695 0.002 1.00 0.00 O ATOM 370 CB ARG A 35 -25.427 7.038 -1.565 1.00 0.00 C ATOM 371 CG ARG A 35 -26.830 6.854 -2.161 1.00 0.00 C ATOM 372 CD ARG A 35 -27.544 8.170 -2.456 1.00 0.00 C ATOM 373 NE ARG A 35 -27.982 8.096 -3.853 1.00 0.00 N ATOM 374 CZ ARG A 35 -29.071 7.468 -4.293 1.00 0.00 C ATOM 375 NH1 ARG A 35 -30.262 8.049 -4.272 1.00 0.00 N ATOM 376 NH2 ARG A 35 -28.914 6.411 -5.063 1.00 0.00 N ATOM 377 OXT ARG A 35 -26.178 5.473 0.670 1.00 0.00 O ATOM 0 H ARG A 35 -23.428 5.216 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 35 -23.757 5.981 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.505 7.636 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.816 7.604 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -26.752 6.278 -3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -27.436 6.268 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -28.395 8.309 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.876 9.018 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 35 -27.403 8.566 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -30.360 8.999 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -31.081 7.546 -4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -27.976 6.093 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -29.730 5.910 -5.415 1.00 0.00 H new TER 384 ARG A 35