USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 708 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 18 ASN : amide:sc= 0.399 K(o=0.41,f=-7.3!) USER MOD Set 1.2: A 19 THR OG1 : rot 180:sc= 0.00923 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0952 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 100:sc= 0.663 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -19:sc= 1.3 USER MOD Single : A 42 MET CE :methyl -173:sc= 0 (180deg=-0.0608) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 1.17 (180deg=0.825) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.662) USER MOD Single : A 50 SER OG : rot -80:sc= 0.0998 USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.385 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= 2.23 (180deg=0.3) USER MOD Single : A 71 MET CE :methyl 154:sc= -0.658 (180deg=-1.71) USER MOD Single : A 72 ASN : amide:sc= 0.0246 K(o=0.025,f=-0.96) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.06) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.108 14.904 -15.654 1.00 0.00 N ATOM 2 CA GLY A 1 -13.212 14.348 -14.861 1.00 0.00 C ATOM 3 C GLY A 1 -12.723 14.025 -13.463 1.00 0.00 C ATOM 4 O GLY A 1 -11.756 14.633 -13.001 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.447 15.727 -16.192 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.339 15.198 -15.019 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.756 14.181 -16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.034 15.062 -14.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.599 13.448 -15.339 1.00 0.00 H new ATOM 8 N HIS A 2 -13.357 13.049 -12.802 1.00 0.00 N ATOM 9 CA HIS A 2 -13.005 12.568 -11.463 1.00 0.00 C ATOM 10 C HIS A 2 -13.042 13.685 -10.410 1.00 0.00 C ATOM 11 O HIS A 2 -13.527 14.787 -10.675 1.00 0.00 O ATOM 12 CB HIS A 2 -11.679 11.790 -11.508 1.00 0.00 C ATOM 13 CG HIS A 2 -11.704 10.713 -12.552 1.00 0.00 C ATOM 14 ND1 HIS A 2 -11.182 10.820 -13.818 1.00 0.00 N ATOM 15 CD2 HIS A 2 -12.412 9.545 -12.482 1.00 0.00 C ATOM 16 CE1 HIS A 2 -11.575 9.737 -14.504 1.00 0.00 C ATOM 17 NE2 HIS A 2 -12.336 8.941 -13.735 1.00 0.00 N ATOM 0 H HIS A 2 -14.157 12.556 -13.200 1.00 0.00 H new ATOM 0 HA HIS A 2 -13.770 11.865 -11.134 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -10.860 12.479 -11.715 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -11.484 11.346 -10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.933 9.162 -11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -11.316 9.533 -15.532 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -12.774 8.063 -14.015 1.00 0.00 H new ATOM 25 N MET A 3 -12.589 13.392 -9.193 1.00 0.00 N ATOM 26 CA MET A 3 -12.516 14.333 -8.088 1.00 0.00 C ATOM 27 C MET A 3 -11.135 14.225 -7.466 1.00 0.00 C ATOM 28 O MET A 3 -10.653 13.120 -7.203 1.00 0.00 O ATOM 29 CB MET A 3 -13.579 14.028 -7.020 1.00 0.00 C ATOM 30 CG MET A 3 -14.918 14.737 -7.241 1.00 0.00 C ATOM 31 SD MET A 3 -16.006 13.979 -8.468 1.00 0.00 S ATOM 32 CE MET A 3 -17.560 14.784 -8.005 1.00 0.00 C ATOM 0 H MET A 3 -12.253 12.461 -8.945 1.00 0.00 H new ATOM 0 HA MET A 3 -12.700 15.339 -8.465 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.751 12.952 -6.993 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.188 14.313 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.447 14.781 -6.289 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.719 15.765 -7.543 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.359 14.437 -8.660 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.804 14.536 -6.972 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.454 15.864 -8.104 1.00 0.00 H new ATOM 42 N VAL A 4 -10.552 15.383 -7.164 1.00 0.00 N ATOM 43 CA VAL A 4 -9.312 15.560 -6.422 1.00 0.00 C ATOM 44 C VAL A 4 -9.561 16.646 -5.353 1.00 0.00 C ATOM 45 O VAL A 4 -8.692 17.452 -5.022 1.00 0.00 O ATOM 46 CB VAL A 4 -8.162 15.778 -7.440 1.00 0.00 C ATOM 47 CG1 VAL A 4 -8.261 17.099 -8.215 1.00 0.00 C ATOM 48 CG2 VAL A 4 -6.771 15.621 -6.813 1.00 0.00 C ATOM 0 H VAL A 4 -10.959 16.274 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.985 14.690 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.293 14.976 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.422 17.179 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.196 17.123 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.235 17.934 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.008 15.785 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.648 16.351 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.667 14.615 -6.406 1.00 0.00 H new ATOM 58 N GLU A 5 -10.794 16.707 -4.835 1.00 0.00 N ATOM 59 CA GLU A 5 -11.237 17.629 -3.780 1.00 0.00 C ATOM 60 C GLU A 5 -10.934 17.103 -2.375 1.00 0.00 C ATOM 61 O GLU A 5 -11.322 17.706 -1.378 1.00 0.00 O ATOM 62 CB GLU A 5 -12.754 17.869 -3.914 1.00 0.00 C ATOM 63 CG GLU A 5 -13.559 16.558 -3.826 1.00 0.00 C ATOM 64 CD GLU A 5 -14.966 16.711 -3.252 1.00 0.00 C ATOM 65 OE1 GLU A 5 -15.612 17.756 -3.492 1.00 0.00 O ATOM 66 OE2 GLU A 5 -15.469 15.733 -2.657 1.00 0.00 O ATOM 0 H GLU A 5 -11.542 16.090 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.684 18.559 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.084 18.549 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.960 18.357 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.633 16.125 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.006 15.848 -3.211 1.00 0.00 H new ATOM 73 N ALA A 6 -10.249 15.968 -2.298 1.00 0.00 N ATOM 74 CA ALA A 6 -9.986 15.228 -1.082 1.00 0.00 C ATOM 75 C ALA A 6 -8.496 15.285 -0.783 1.00 0.00 C ATOM 76 O ALA A 6 -7.664 15.287 -1.692 1.00 0.00 O ATOM 77 CB ALA A 6 -10.472 13.786 -1.244 1.00 0.00 C ATOM 0 H ALA A 6 -9.846 15.523 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.524 15.669 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.273 13.230 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.543 13.784 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.946 13.316 -2.075 1.00 0.00 H new ATOM 83 N ASP A 7 -8.173 15.274 0.502 1.00 0.00 N ATOM 84 CA ASP A 7 -6.860 15.482 1.071 1.00 0.00 C ATOM 85 C ASP A 7 -6.558 14.280 1.955 1.00 0.00 C ATOM 86 O ASP A 7 -7.441 13.743 2.636 1.00 0.00 O ATOM 87 CB ASP A 7 -6.828 16.797 1.863 1.00 0.00 C ATOM 88 CG ASP A 7 -8.118 17.162 2.613 1.00 0.00 C ATOM 89 OD1 ASP A 7 -8.712 16.318 3.331 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.593 18.309 2.461 1.00 0.00 O ATOM 0 H ASP A 7 -8.876 15.107 1.222 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.100 15.567 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.014 16.743 2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.590 17.607 1.174 1.00 0.00 H new ATOM 95 N ARG A 8 -5.320 13.790 1.892 1.00 0.00 N ATOM 96 CA ARG A 8 -4.874 12.578 2.572 1.00 0.00 C ATOM 97 C ARG A 8 -3.342 12.557 2.574 1.00 0.00 C ATOM 98 O ARG A 8 -2.728 13.240 1.755 1.00 0.00 O ATOM 99 CB ARG A 8 -5.449 11.342 1.837 1.00 0.00 C ATOM 100 CG ARG A 8 -6.549 10.600 2.623 1.00 0.00 C ATOM 101 CD ARG A 8 -7.790 10.303 1.770 1.00 0.00 C ATOM 102 NE ARG A 8 -8.802 11.373 1.874 1.00 0.00 N ATOM 103 CZ ARG A 8 -10.092 11.222 1.555 1.00 0.00 C ATOM 104 NH1 ARG A 8 -10.441 10.297 0.668 1.00 0.00 N ATOM 105 NH2 ARG A 8 -11.019 12.003 2.105 1.00 0.00 N ATOM 0 H ARG A 8 -4.581 14.239 1.351 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.228 12.558 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.855 11.660 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.636 10.647 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.146 9.664 3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.841 11.200 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.494 10.184 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.229 9.357 2.086 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.498 12.286 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.728 9.709 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.422 10.174 0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.748 12.723 2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.001 11.882 1.857 1.00 0.00 H new ATOM 119 N PRO A 9 -2.709 11.729 3.414 1.00 0.00 N ATOM 120 CA PRO A 9 -1.255 11.578 3.470 1.00 0.00 C ATOM 121 C PRO A 9 -0.698 10.537 2.487 1.00 0.00 C ATOM 122 O PRO A 9 0.374 9.978 2.708 1.00 0.00 O ATOM 123 CB PRO A 9 -1.003 11.165 4.915 1.00 0.00 C ATOM 124 CG PRO A 9 -2.206 10.295 5.237 1.00 0.00 C ATOM 125 CD PRO A 9 -3.339 11.003 4.507 1.00 0.00 C ATOM 0 HA PRO A 9 -0.748 12.497 3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.068 10.615 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.941 12.029 5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.073 9.273 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.389 10.239 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.071 10.287 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.870 11.682 5.174 1.00 0.00 H new ATOM 133 N GLY A 10 -1.460 10.195 1.455 1.00 0.00 N ATOM 134 CA GLY A 10 -1.074 9.223 0.428 1.00 0.00 C ATOM 135 C GLY A 10 -0.978 7.778 0.903 1.00 0.00 C ATOM 136 O GLY A 10 -0.453 6.918 0.201 1.00 0.00 O ATOM 0 H GLY A 10 -2.387 10.593 1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.797 9.273 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.109 9.518 0.016 1.00 0.00 H new ATOM 140 N LYS A 11 -1.471 7.489 2.100 1.00 0.00 N ATOM 141 CA LYS A 11 -1.497 6.139 2.630 1.00 0.00 C ATOM 142 C LYS A 11 -2.470 5.279 1.834 1.00 0.00 C ATOM 143 O LYS A 11 -3.556 5.752 1.496 1.00 0.00 O ATOM 144 CB LYS A 11 -1.900 6.201 4.102 1.00 0.00 C ATOM 145 CG LYS A 11 -0.684 6.583 4.953 1.00 0.00 C ATOM 146 CD LYS A 11 -0.914 6.272 6.436 1.00 0.00 C ATOM 147 CE LYS A 11 -1.421 7.464 7.244 1.00 0.00 C ATOM 148 NZ LYS A 11 -0.304 8.295 7.751 1.00 0.00 N ATOM 0 H LYS A 11 -1.864 8.188 2.730 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.510 5.685 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.697 6.931 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.292 5.236 4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.193 6.042 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.473 7.646 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.632 5.456 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.020 5.920 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.076 8.074 6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.020 7.108 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.686 9.095 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.307 7.719 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.252 8.655 6.950 1.00 0.00 H new ATOM 162 N LEU A 12 -2.100 4.021 1.604 1.00 0.00 N ATOM 163 CA LEU A 12 -2.872 2.963 0.993 1.00 0.00 C ATOM 164 C LEU A 12 -2.816 1.700 1.848 1.00 0.00 C ATOM 165 O LEU A 12 -2.196 1.708 2.906 1.00 0.00 O ATOM 166 CB LEU A 12 -2.269 2.686 -0.392 1.00 0.00 C ATOM 167 CG LEU A 12 -2.751 3.620 -1.520 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.718 2.785 -2.794 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.177 4.167 -1.424 1.00 0.00 C ATOM 0 H LEU A 12 -1.169 3.697 1.867 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.916 3.262 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.184 2.761 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.499 1.658 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.097 4.491 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.050 3.392 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.701 2.439 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.379 1.926 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.380 4.808 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.885 3.338 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.284 4.745 -0.506 1.00 0.00 H new ATOM 181 N PHE A 13 -3.479 0.620 1.439 1.00 0.00 N ATOM 182 CA PHE A 13 -3.396 -0.689 2.074 1.00 0.00 C ATOM 183 C PHE A 13 -3.382 -1.743 0.971 1.00 0.00 C ATOM 184 O PHE A 13 -4.040 -1.530 -0.046 1.00 0.00 O ATOM 185 CB PHE A 13 -4.626 -0.873 2.974 1.00 0.00 C ATOM 186 CG PHE A 13 -4.548 -2.103 3.855 1.00 0.00 C ATOM 187 CD1 PHE A 13 -4.966 -3.355 3.365 1.00 0.00 C ATOM 188 CD2 PHE A 13 -4.057 -1.999 5.170 1.00 0.00 C ATOM 189 CE1 PHE A 13 -4.895 -4.494 4.187 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.005 -3.134 5.998 1.00 0.00 C ATOM 191 CZ PHE A 13 -4.419 -4.385 5.506 1.00 0.00 C ATOM 0 H PHE A 13 -4.105 0.634 0.634 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.496 -0.782 2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.742 0.009 3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.517 -0.938 2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.342 -3.441 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.719 -1.044 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.207 -5.455 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.647 -3.045 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.372 -5.259 6.139 1.00 0.00 H new ATOM 201 N ILE A 14 -2.689 -2.873 1.147 1.00 0.00 N ATOM 202 CA ILE A 14 -2.760 -3.983 0.211 1.00 0.00 C ATOM 203 C ILE A 14 -2.908 -5.292 0.992 1.00 0.00 C ATOM 204 O ILE A 14 -2.185 -5.537 1.957 1.00 0.00 O ATOM 205 CB ILE A 14 -1.548 -4.017 -0.746 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.206 -2.676 -1.426 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.839 -5.015 -1.888 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.385 -1.714 -0.568 1.00 0.00 C ATOM 0 H ILE A 14 -2.068 -3.037 1.940 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.636 -3.848 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.703 -4.293 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.657 -2.880 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.135 -2.183 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.989 -5.046 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.006 -6.008 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.728 -4.696 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.193 -0.799 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.938 -1.474 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.563 -2.182 -0.302 1.00 0.00 H new ATOM 220 N GLY A 15 -3.815 -6.168 0.561 1.00 0.00 N ATOM 221 CA GLY A 15 -4.063 -7.452 1.198 1.00 0.00 C ATOM 222 C GLY A 15 -4.282 -8.563 0.183 1.00 0.00 C ATOM 223 O GLY A 15 -5.409 -9.024 -0.002 1.00 0.00 O ATOM 0 H GLY A 15 -4.405 -5.999 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.218 -7.708 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.938 -7.373 1.843 1.00 0.00 H new ATOM 227 N GLY A 16 -3.200 -9.003 -0.460 1.00 0.00 N ATOM 228 CA GLY A 16 -3.150 -10.247 -1.218 1.00 0.00 C ATOM 229 C GLY A 16 -1.745 -10.579 -1.740 1.00 0.00 C ATOM 230 O GLY A 16 -1.621 -11.200 -2.793 1.00 0.00 O ATOM 0 H GLY A 16 -2.317 -8.492 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.499 -11.064 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.838 -10.180 -2.061 1.00 0.00 H new ATOM 234 N LEU A 17 -0.688 -10.112 -1.070 1.00 0.00 N ATOM 235 CA LEU A 17 0.686 -10.167 -1.573 1.00 0.00 C ATOM 236 C LEU A 17 1.263 -11.587 -1.544 1.00 0.00 C ATOM 237 O LEU A 17 0.684 -12.510 -0.963 1.00 0.00 O ATOM 238 CB LEU A 17 1.617 -9.219 -0.785 1.00 0.00 C ATOM 239 CG LEU A 17 1.289 -7.716 -0.828 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.922 -7.220 -2.232 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.185 -7.346 0.160 1.00 0.00 C ATOM 0 H LEU A 17 -0.765 -9.679 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 17 0.638 -9.840 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.617 -9.535 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.632 -9.354 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 17 2.209 -7.211 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.702 -6.153 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.758 -7.395 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.045 -7.759 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.016 -6.276 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.722 -7.900 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.503 -7.597 1.172 1.00 0.00 H new ATOM 253 N ASN A 18 2.432 -11.745 -2.164 1.00 0.00 N ATOM 254 CA ASN A 18 3.183 -12.990 -2.241 1.00 0.00 C ATOM 255 C ASN A 18 3.923 -13.275 -0.930 1.00 0.00 C ATOM 256 O ASN A 18 3.957 -12.438 -0.027 1.00 0.00 O ATOM 257 CB ASN A 18 4.170 -12.890 -3.420 1.00 0.00 C ATOM 258 CG ASN A 18 4.419 -14.233 -4.085 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.316 -15.284 -3.459 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.711 -14.230 -5.363 1.00 0.00 N ATOM 0 H ASN A 18 2.898 -10.975 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 18 2.496 -13.820 -2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.780 -12.189 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.117 -12.483 -3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.857 -15.112 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.792 -13.346 -5.866 1.00 0.00 H new ATOM 267 N THR A 19 4.554 -14.443 -0.840 1.00 0.00 N ATOM 268 CA THR A 19 5.230 -14.956 0.354 1.00 0.00 C ATOM 269 C THR A 19 6.767 -14.854 0.262 1.00 0.00 C ATOM 270 O THR A 19 7.471 -15.201 1.214 1.00 0.00 O ATOM 271 CB THR A 19 4.735 -16.391 0.646 1.00 0.00 C ATOM 272 OG1 THR A 19 4.263 -17.082 -0.500 1.00 0.00 O ATOM 273 CG2 THR A 19 3.553 -16.374 1.621 1.00 0.00 C ATOM 0 H THR A 19 4.612 -15.087 -1.629 1.00 0.00 H new ATOM 0 HA THR A 19 4.965 -14.323 1.201 1.00 0.00 H new ATOM 0 HB THR A 19 5.612 -16.897 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.969 -17.980 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.223 -17.395 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.862 -15.912 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.732 -15.802 1.188 1.00 0.00 H new ATOM 281 N GLU A 20 7.294 -14.345 -0.856 1.00 0.00 N ATOM 282 CA GLU A 20 8.706 -14.030 -1.085 1.00 0.00 C ATOM 283 C GLU A 20 8.783 -12.597 -1.650 1.00 0.00 C ATOM 284 O GLU A 20 9.510 -12.285 -2.599 1.00 0.00 O ATOM 285 CB GLU A 20 9.313 -15.126 -1.984 1.00 0.00 C ATOM 286 CG GLU A 20 10.853 -15.146 -2.058 1.00 0.00 C ATOM 287 CD GLU A 20 11.530 -15.327 -0.692 1.00 0.00 C ATOM 288 OE1 GLU A 20 11.396 -16.419 -0.091 1.00 0.00 O ATOM 289 OE2 GLU A 20 12.196 -14.372 -0.229 1.00 0.00 O ATOM 0 H GLU A 20 6.715 -14.131 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 20 9.304 -14.034 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.971 -16.097 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.920 -15.003 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.166 -15.953 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.199 -14.214 -2.506 1.00 0.00 H new ATOM 296 N THR A 21 7.932 -11.721 -1.117 1.00 0.00 N ATOM 297 CA THR A 21 7.958 -10.288 -1.361 1.00 0.00 C ATOM 298 C THR A 21 9.109 -9.679 -0.533 1.00 0.00 C ATOM 299 O THR A 21 9.568 -10.270 0.444 1.00 0.00 O ATOM 300 CB THR A 21 6.584 -9.699 -0.964 1.00 0.00 C ATOM 301 OG1 THR A 21 5.510 -10.523 -1.382 1.00 0.00 O ATOM 302 CG2 THR A 21 6.323 -8.330 -1.600 1.00 0.00 C ATOM 0 H THR A 21 7.184 -12.003 -0.484 1.00 0.00 H new ATOM 0 HA THR A 21 8.133 -10.058 -2.412 1.00 0.00 H new ATOM 0 HB THR A 21 6.629 -9.622 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.200 -11.064 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.345 -7.964 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.093 -7.628 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.345 -8.423 -2.686 1.00 0.00 H new ATOM 310 N ASN A 22 9.539 -8.460 -0.864 1.00 0.00 N ATOM 311 CA ASN A 22 10.288 -7.595 0.047 1.00 0.00 C ATOM 312 C ASN A 22 9.743 -6.180 -0.137 1.00 0.00 C ATOM 313 O ASN A 22 9.040 -5.892 -1.105 1.00 0.00 O ATOM 314 CB ASN A 22 11.799 -7.648 -0.211 1.00 0.00 C ATOM 315 CG ASN A 22 12.421 -8.948 0.263 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.478 -9.216 1.459 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.944 -9.766 -0.627 1.00 0.00 N ATOM 0 H ASN A 22 9.375 -8.043 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 22 10.157 -7.934 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.987 -7.526 -1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.281 -6.812 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.399 -10.627 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.894 -9.539 -1.620 1.00 0.00 H new ATOM 324 N GLU A 23 10.098 -5.277 0.765 1.00 0.00 N ATOM 325 CA GLU A 23 9.713 -3.857 0.690 1.00 0.00 C ATOM 326 C GLU A 23 10.337 -3.276 -0.578 1.00 0.00 C ATOM 327 O GLU A 23 9.643 -2.719 -1.426 1.00 0.00 O ATOM 328 CB GLU A 23 10.163 -3.067 1.938 1.00 0.00 C ATOM 329 CG GLU A 23 9.576 -3.608 3.253 1.00 0.00 C ATOM 330 CD GLU A 23 10.612 -3.649 4.382 1.00 0.00 C ATOM 331 OE1 GLU A 23 10.801 -2.646 5.094 1.00 0.00 O ATOM 332 OE2 GLU A 23 11.252 -4.723 4.552 1.00 0.00 O ATOM 0 H GLU A 23 10.667 -5.502 1.581 1.00 0.00 H new ATOM 0 HA GLU A 23 8.627 -3.776 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.251 -3.089 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.871 -2.023 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.736 -2.983 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.184 -4.611 3.087 1.00 0.00 H new ATOM 339 N LYS A 24 11.627 -3.558 -0.783 1.00 0.00 N ATOM 340 CA LYS A 24 12.354 -3.201 -1.997 1.00 0.00 C ATOM 341 C LYS A 24 11.699 -3.722 -3.273 1.00 0.00 C ATOM 342 O LYS A 24 11.930 -3.157 -4.337 1.00 0.00 O ATOM 343 CB LYS A 24 13.825 -3.629 -1.875 1.00 0.00 C ATOM 344 CG LYS A 24 14.052 -5.105 -2.241 1.00 0.00 C ATOM 345 CD LYS A 24 15.342 -5.698 -1.664 1.00 0.00 C ATOM 346 CE LYS A 24 16.583 -4.868 -2.013 1.00 0.00 C ATOM 347 NZ LYS A 24 17.850 -5.572 -1.714 1.00 0.00 N ATOM 0 H LYS A 24 12.201 -4.048 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 24 12.317 -2.116 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.436 -3.001 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.164 -3.457 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.204 -5.691 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.074 -5.200 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.251 -5.770 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.471 -6.713 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.557 -4.612 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.555 -3.930 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.654 -4.964 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.893 -5.794 -0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.895 -6.454 -2.263 1.00 0.00 H new ATOM 361 N ALA A 25 10.924 -4.806 -3.201 1.00 0.00 N ATOM 362 CA ALA A 25 10.213 -5.350 -4.347 1.00 0.00 C ATOM 363 C ALA A 25 8.974 -4.494 -4.613 1.00 0.00 C ATOM 364 O ALA A 25 8.739 -4.070 -5.742 1.00 0.00 O ATOM 365 CB ALA A 25 9.854 -6.814 -4.071 1.00 0.00 C ATOM 0 H ALA A 25 10.775 -5.330 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 25 10.838 -5.326 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.321 -7.226 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.766 -7.387 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.220 -6.873 -3.187 1.00 0.00 H new ATOM 371 N LEU A 26 8.209 -4.201 -3.557 1.00 0.00 N ATOM 372 CA LEU A 26 7.002 -3.382 -3.596 1.00 0.00 C ATOM 373 C LEU A 26 7.267 -1.967 -4.111 1.00 0.00 C ATOM 374 O LEU A 26 6.365 -1.362 -4.697 1.00 0.00 O ATOM 375 CB LEU A 26 6.385 -3.308 -2.194 1.00 0.00 C ATOM 376 CG LEU A 26 5.664 -4.581 -1.724 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.140 -4.358 -0.300 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.516 -4.970 -2.665 1.00 0.00 C ATOM 0 H LEU A 26 8.424 -4.542 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 26 6.312 -3.858 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.174 -3.073 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.677 -2.480 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 26 6.375 -5.407 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.626 -5.256 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.976 -4.141 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.445 -3.518 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.034 -5.875 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.787 -4.160 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.911 -5.151 -3.665 1.00 0.00 H new ATOM 390 N GLU A 27 8.478 -1.436 -3.935 1.00 0.00 N ATOM 391 CA GLU A 27 8.875 -0.159 -4.526 1.00 0.00 C ATOM 392 C GLU A 27 8.631 -0.177 -6.042 1.00 0.00 C ATOM 393 O GLU A 27 8.107 0.773 -6.621 1.00 0.00 O ATOM 394 CB GLU A 27 10.356 0.133 -4.238 1.00 0.00 C ATOM 395 CG GLU A 27 10.669 0.466 -2.771 1.00 0.00 C ATOM 396 CD GLU A 27 12.182 0.555 -2.533 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.905 1.098 -3.402 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.712 0.071 -1.512 1.00 0.00 O ATOM 0 H GLU A 27 9.210 -1.879 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 27 8.270 0.629 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.948 -0.733 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.676 0.967 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.200 1.412 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.240 -0.298 -2.122 1.00 0.00 H new ATOM 405 N ALA A 28 8.988 -1.287 -6.691 1.00 0.00 N ATOM 406 CA ALA A 28 8.869 -1.446 -8.133 1.00 0.00 C ATOM 407 C ALA A 28 7.401 -1.553 -8.544 1.00 0.00 C ATOM 408 O ALA A 28 6.985 -0.948 -9.535 1.00 0.00 O ATOM 409 CB ALA A 28 9.625 -2.701 -8.573 1.00 0.00 C ATOM 0 H ALA A 28 9.371 -2.107 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 28 9.300 -0.571 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.536 -2.820 -9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.677 -2.605 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.202 -3.574 -8.076 1.00 0.00 H new ATOM 415 N VAL A 29 6.628 -2.317 -7.766 1.00 0.00 N ATOM 416 CA VAL A 29 5.230 -2.628 -8.029 1.00 0.00 C ATOM 417 C VAL A 29 4.430 -1.345 -8.237 1.00 0.00 C ATOM 418 O VAL A 29 3.687 -1.238 -9.212 1.00 0.00 O ATOM 419 CB VAL A 29 4.662 -3.501 -6.885 1.00 0.00 C ATOM 420 CG1 VAL A 29 3.170 -3.790 -7.071 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.394 -4.853 -6.808 1.00 0.00 C ATOM 0 H VAL A 29 6.975 -2.747 -6.909 1.00 0.00 H new ATOM 0 HA VAL A 29 5.149 -3.204 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 29 4.811 -2.932 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.813 -4.406 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.617 -2.851 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.016 -4.320 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.976 -5.447 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.271 -5.388 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.455 -4.682 -6.624 1.00 0.00 H new ATOM 431 N PHE A 30 4.569 -0.373 -7.333 1.00 0.00 N ATOM 432 CA PHE A 30 3.669 0.771 -7.306 1.00 0.00 C ATOM 433 C PHE A 30 4.319 2.064 -7.804 1.00 0.00 C ATOM 434 O PHE A 30 3.594 3.016 -8.092 1.00 0.00 O ATOM 435 CB PHE A 30 3.040 0.885 -5.913 1.00 0.00 C ATOM 436 CG PHE A 30 2.110 -0.260 -5.572 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.886 -0.386 -6.256 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.456 -1.201 -4.584 1.00 0.00 C ATOM 439 CE1 PHE A 30 0.007 -1.434 -5.940 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.570 -2.242 -4.266 1.00 0.00 C ATOM 441 CZ PHE A 30 0.339 -2.352 -4.930 1.00 0.00 C ATOM 0 H PHE A 30 5.294 -0.359 -6.615 1.00 0.00 H new ATOM 0 HA PHE A 30 2.866 0.602 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.834 0.931 -5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.487 1.822 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.623 0.325 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.403 -1.122 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.926 -1.535 -6.474 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.837 -2.962 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.351 -3.140 -4.666 1.00 0.00 H new ATOM 451 N GLY A 31 5.644 2.107 -8.001 1.00 0.00 N ATOM 452 CA GLY A 31 6.319 3.302 -8.505 1.00 0.00 C ATOM 453 C GLY A 31 5.866 3.665 -9.921 1.00 0.00 C ATOM 454 O GLY A 31 5.994 4.807 -10.345 1.00 0.00 O ATOM 0 H GLY A 31 6.268 1.322 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.121 4.139 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.397 3.138 -8.500 1.00 0.00 H new ATOM 458 N LYS A 32 5.286 2.716 -10.660 1.00 0.00 N ATOM 459 CA LYS A 32 4.706 2.945 -11.984 1.00 0.00 C ATOM 460 C LYS A 32 3.384 3.734 -11.964 1.00 0.00 C ATOM 461 O LYS A 32 2.732 3.838 -13.004 1.00 0.00 O ATOM 462 CB LYS A 32 4.603 1.600 -12.718 1.00 0.00 C ATOM 463 CG LYS A 32 3.541 0.662 -12.119 1.00 0.00 C ATOM 464 CD LYS A 32 3.904 -0.819 -12.266 1.00 0.00 C ATOM 465 CE LYS A 32 4.045 -1.223 -13.733 1.00 0.00 C ATOM 466 NZ LYS A 32 4.590 -2.587 -13.872 1.00 0.00 N ATOM 0 H LYS A 32 5.205 1.748 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 32 5.375 3.602 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.367 1.783 -13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.573 1.104 -12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.411 0.896 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.584 0.847 -12.607 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.839 -1.018 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.136 -1.431 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.072 -1.168 -14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.698 -0.516 -14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.672 -2.827 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.529 -2.632 -13.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.953 -3.264 -13.405 1.00 0.00 H new ATOM 480 N TYR A 33 2.979 4.282 -10.813 1.00 0.00 N ATOM 481 CA TYR A 33 1.809 5.148 -10.672 1.00 0.00 C ATOM 482 C TYR A 33 2.122 6.466 -9.978 1.00 0.00 C ATOM 483 O TYR A 33 1.232 7.316 -9.910 1.00 0.00 O ATOM 484 CB TYR A 33 0.697 4.426 -9.900 1.00 0.00 C ATOM 485 CG TYR A 33 0.263 3.147 -10.567 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.607 3.198 -11.669 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.813 1.925 -10.148 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.836 2.036 -12.425 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.537 0.754 -10.865 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.262 0.806 -12.029 1.00 0.00 C ATOM 491 OH TYR A 33 -0.496 -0.334 -12.738 1.00 0.00 O ATOM 0 H TYR A 33 3.471 4.130 -9.932 1.00 0.00 H new ATOM 0 HA TYR A 33 1.479 5.379 -11.685 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.045 4.205 -8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.162 5.090 -9.802 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.096 4.124 -11.933 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.447 1.888 -9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.452 2.082 -13.311 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.936 -0.191 -10.527 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.295 -0.216 -13.293 1.00 0.00 H new ATOM 501 N GLY A 34 3.328 6.657 -9.445 1.00 0.00 N ATOM 502 CA GLY A 34 3.511 7.653 -8.411 1.00 0.00 C ATOM 503 C GLY A 34 4.889 7.570 -7.789 1.00 0.00 C ATOM 504 O GLY A 34 5.823 7.046 -8.401 1.00 0.00 O ATOM 0 H GLY A 34 4.170 6.145 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.362 8.647 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.754 7.518 -7.638 1.00 0.00 H new ATOM 508 N ARG A 35 5.038 8.130 -6.592 1.00 0.00 N ATOM 509 CA ARG A 35 6.302 8.216 -5.890 1.00 0.00 C ATOM 510 C ARG A 35 6.075 7.761 -4.458 1.00 0.00 C ATOM 511 O ARG A 35 5.542 8.495 -3.628 1.00 0.00 O ATOM 512 CB ARG A 35 6.865 9.638 -6.012 1.00 0.00 C ATOM 513 CG ARG A 35 8.323 9.611 -5.562 1.00 0.00 C ATOM 514 CD ARG A 35 9.009 10.966 -5.736 1.00 0.00 C ATOM 515 NE ARG A 35 10.434 10.821 -5.423 1.00 0.00 N ATOM 516 CZ ARG A 35 10.907 10.539 -4.208 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.215 10.828 -3.107 1.00 0.00 N ATOM 518 NH2 ARG A 35 12.073 9.918 -4.114 1.00 0.00 N ATOM 0 H ARG A 35 4.261 8.544 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 35 7.057 7.561 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.791 9.990 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.289 10.329 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.372 9.313 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.863 8.857 -6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.882 11.324 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.552 11.707 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 35 11.105 10.943 -6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.301 11.275 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.599 10.602 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.587 9.667 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.457 9.691 -3.197 1.00 0.00 H new ATOM 532 N ILE A 36 6.431 6.513 -4.184 1.00 0.00 N ATOM 533 CA ILE A 36 6.326 5.919 -2.867 1.00 0.00 C ATOM 534 C ILE A 36 7.355 6.577 -1.963 1.00 0.00 C ATOM 535 O ILE A 36 8.443 6.944 -2.420 1.00 0.00 O ATOM 536 CB ILE A 36 6.586 4.410 -3.001 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.557 3.745 -3.940 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.612 3.669 -1.659 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.240 2.739 -4.845 1.00 0.00 C ATOM 0 H ILE A 36 6.807 5.877 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 36 5.337 6.068 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 36 7.584 4.328 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.785 3.249 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.059 4.506 -4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.800 2.609 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.403 4.080 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.652 3.790 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.501 2.279 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.995 3.245 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.716 1.969 -4.239 1.00 0.00 H new ATOM 551 N VAL A 37 7.029 6.680 -0.678 1.00 0.00 N ATOM 552 CA VAL A 37 7.906 7.281 0.304 1.00 0.00 C ATOM 553 C VAL A 37 7.907 6.549 1.661 1.00 0.00 C ATOM 554 O VAL A 37 8.674 6.934 2.545 1.00 0.00 O ATOM 555 CB VAL A 37 7.541 8.771 0.299 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.262 9.122 1.058 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.679 9.667 0.727 1.00 0.00 C ATOM 0 H VAL A 37 6.145 6.346 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 37 8.962 7.179 0.056 1.00 0.00 H new ATOM 0 HB VAL A 37 7.334 8.970 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.087 10.196 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.419 8.592 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.367 8.829 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.353 10.707 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.985 9.408 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.522 9.534 0.049 1.00 0.00 H new ATOM 567 N GLU A 38 7.113 5.483 1.829 1.00 0.00 N ATOM 568 CA GLU A 38 7.262 4.454 2.862 1.00 0.00 C ATOM 569 C GLU A 38 6.593 3.153 2.386 1.00 0.00 C ATOM 570 O GLU A 38 5.657 3.206 1.585 1.00 0.00 O ATOM 571 CB GLU A 38 6.638 4.930 4.187 1.00 0.00 C ATOM 572 CG GLU A 38 7.621 4.900 5.351 1.00 0.00 C ATOM 573 CD GLU A 38 7.853 3.497 5.911 1.00 0.00 C ATOM 574 OE1 GLU A 38 8.521 2.705 5.207 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.391 3.216 7.047 1.00 0.00 O ATOM 0 H GLU A 38 6.314 5.308 1.220 1.00 0.00 H new ATOM 0 HA GLU A 38 8.322 4.268 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.262 5.946 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.781 4.300 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.574 5.315 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.250 5.545 6.148 1.00 0.00 H new ATOM 582 N VAL A 39 7.035 1.995 2.892 1.00 0.00 N ATOM 583 CA VAL A 39 6.508 0.666 2.599 1.00 0.00 C ATOM 584 C VAL A 39 6.686 -0.184 3.854 1.00 0.00 C ATOM 585 O VAL A 39 7.786 -0.264 4.399 1.00 0.00 O ATOM 586 CB VAL A 39 7.247 0.006 1.411 1.00 0.00 C ATOM 587 CG1 VAL A 39 6.720 -1.412 1.160 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.056 0.806 0.117 1.00 0.00 C ATOM 0 H VAL A 39 7.812 1.964 3.552 1.00 0.00 H new ATOM 0 HA VAL A 39 5.458 0.746 2.319 1.00 0.00 H new ATOM 0 HB VAL A 39 8.303 -0.020 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.255 -1.856 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.875 -2.021 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.655 -1.369 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.588 0.314 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.994 0.860 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.449 1.814 0.251 1.00 0.00 H new ATOM 598 N LEU A 40 5.626 -0.884 4.263 1.00 0.00 N ATOM 599 CA LEU A 40 5.624 -1.750 5.428 1.00 0.00 C ATOM 600 C LEU A 40 5.062 -3.115 5.027 1.00 0.00 C ATOM 601 O LEU A 40 3.845 -3.322 4.956 1.00 0.00 O ATOM 602 CB LEU A 40 4.883 -1.051 6.584 1.00 0.00 C ATOM 603 CG LEU A 40 5.489 -1.297 7.973 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.471 -2.776 8.364 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.898 -0.717 8.126 1.00 0.00 C ATOM 0 H LEU A 40 4.729 -0.859 3.778 1.00 0.00 H new ATOM 0 HA LEU A 40 6.631 -1.938 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.869 0.022 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.846 -1.387 6.590 1.00 0.00 H new ATOM 0 HG LEU A 40 4.842 -0.758 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.910 -2.896 9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.442 -3.136 8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.047 -3.351 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.270 -0.924 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.561 -1.174 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.867 0.361 7.966 1.00 0.00 H new ATOM 617 N LEU A 41 5.969 -4.031 4.680 1.00 0.00 N ATOM 618 CA LEU A 41 5.675 -5.424 4.356 1.00 0.00 C ATOM 619 C LEU A 41 5.645 -6.225 5.653 1.00 0.00 C ATOM 620 O LEU A 41 6.673 -6.328 6.323 1.00 0.00 O ATOM 621 CB LEU A 41 6.778 -5.984 3.444 1.00 0.00 C ATOM 622 CG LEU A 41 6.583 -7.467 3.078 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.382 -7.661 2.154 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.817 -7.969 2.335 1.00 0.00 C ATOM 0 H LEU A 41 6.963 -3.813 4.615 1.00 0.00 H new ATOM 0 HA LEU A 41 4.715 -5.493 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.814 -5.394 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.742 -5.864 3.939 1.00 0.00 H new ATOM 0 HG LEU A 41 6.421 -8.017 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.273 -8.719 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.479 -7.307 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.535 -7.096 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.683 -9.019 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.957 -7.384 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.694 -7.863 2.973 1.00 0.00 H new ATOM 636 N MET A 42 4.505 -6.823 5.985 1.00 0.00 N ATOM 637 CA MET A 42 4.409 -7.698 7.145 1.00 0.00 C ATOM 638 C MET A 42 5.054 -9.041 6.818 1.00 0.00 C ATOM 639 O MET A 42 4.941 -9.530 5.690 1.00 0.00 O ATOM 640 CB MET A 42 2.941 -7.864 7.549 1.00 0.00 C ATOM 641 CG MET A 42 2.320 -6.508 7.902 1.00 0.00 C ATOM 642 SD MET A 42 3.142 -5.582 9.230 1.00 0.00 S ATOM 643 CE MET A 42 2.832 -6.679 10.633 1.00 0.00 C ATOM 0 H MET A 42 3.634 -6.716 5.465 1.00 0.00 H new ATOM 0 HA MET A 42 4.940 -7.259 7.990 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.384 -8.323 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.868 -8.537 8.403 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.312 -5.889 7.005 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.280 -6.669 8.187 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.164 -6.197 11.552 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.765 -6.892 10.700 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.380 -7.611 10.494 1.00 0.00 H new ATOM 653 N LYS A 43 5.713 -9.657 7.803 1.00 0.00 N ATOM 654 CA LYS A 43 6.476 -10.888 7.623 1.00 0.00 C ATOM 655 C LYS A 43 6.043 -11.903 8.662 1.00 0.00 C ATOM 656 O LYS A 43 5.344 -11.586 9.627 1.00 0.00 O ATOM 657 CB LYS A 43 7.991 -10.615 7.662 1.00 0.00 C ATOM 658 CG LYS A 43 8.401 -9.733 6.474 1.00 0.00 C ATOM 659 CD LYS A 43 9.835 -9.200 6.556 1.00 0.00 C ATOM 660 CE LYS A 43 9.935 -8.023 5.569 1.00 0.00 C ATOM 661 NZ LYS A 43 11.265 -7.382 5.538 1.00 0.00 N ATOM 0 H LYS A 43 5.730 -9.307 8.761 1.00 0.00 H new ATOM 0 HA LYS A 43 6.269 -11.303 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.255 -10.123 8.598 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.539 -11.557 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.290 -10.307 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.714 -8.889 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.068 -8.874 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.552 -9.980 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.690 -8.379 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.188 -7.275 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.178 -6.420 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.650 -7.334 6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.905 -7.940 4.938 1.00 0.00 H new ATOM 675 N ASP A 44 6.359 -13.150 8.369 1.00 0.00 N ATOM 676 CA ASP A 44 6.023 -14.316 9.170 1.00 0.00 C ATOM 677 C ASP A 44 7.054 -14.516 10.275 1.00 0.00 C ATOM 678 O ASP A 44 8.049 -13.795 10.365 1.00 0.00 O ATOM 679 CB ASP A 44 5.918 -15.577 8.287 1.00 0.00 C ATOM 680 CG ASP A 44 4.765 -16.452 8.760 1.00 0.00 C ATOM 681 OD1 ASP A 44 4.786 -16.890 9.930 1.00 0.00 O ATOM 682 OD2 ASP A 44 3.801 -16.629 7.979 1.00 0.00 O ATOM 0 H ASP A 44 6.882 -13.391 7.527 1.00 0.00 H new ATOM 0 HA ASP A 44 5.050 -14.146 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.764 -15.290 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.851 -16.138 8.328 1.00 0.00 H new ATOM 687 N ARG A 45 6.817 -15.508 11.127 1.00 0.00 N ATOM 688 CA ARG A 45 7.710 -15.977 12.177 1.00 0.00 C ATOM 689 C ARG A 45 8.174 -17.400 11.905 1.00 0.00 C ATOM 690 O ARG A 45 8.941 -17.940 12.697 1.00 0.00 O ATOM 691 CB ARG A 45 7.015 -15.849 13.538 1.00 0.00 C ATOM 692 CG ARG A 45 5.775 -16.749 13.712 1.00 0.00 C ATOM 693 CD ARG A 45 6.092 -18.031 14.487 1.00 0.00 C ATOM 694 NE ARG A 45 4.874 -18.763 14.866 1.00 0.00 N ATOM 695 CZ ARG A 45 4.114 -18.553 15.947 1.00 0.00 C ATOM 696 NH1 ARG A 45 4.308 -17.499 16.739 1.00 0.00 N ATOM 697 NH2 ARG A 45 3.137 -19.405 16.223 1.00 0.00 N ATOM 0 H ARG A 45 5.945 -16.036 11.100 1.00 0.00 H new ATOM 0 HA ARG A 45 8.605 -15.355 12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.734 -16.087 14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.717 -14.811 13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.996 -16.194 14.235 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.377 -17.009 12.731 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.727 -18.675 13.878 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.658 -17.781 15.384 1.00 0.00 H new ATOM 0 HE ARG A 45 4.577 -19.510 14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.049 -16.831 16.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.716 -17.360 17.558 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.973 -20.207 15.615 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.549 -19.258 17.044 1.00 0.00 H new ATOM 711 N GLU A 46 7.704 -18.031 10.824 1.00 0.00 N ATOM 712 CA GLU A 46 8.153 -19.355 10.449 1.00 0.00 C ATOM 713 C GLU A 46 9.627 -19.271 10.081 1.00 0.00 C ATOM 714 O GLU A 46 10.441 -19.974 10.680 1.00 0.00 O ATOM 715 CB GLU A 46 7.382 -19.907 9.248 1.00 0.00 C ATOM 716 CG GLU A 46 5.854 -19.874 9.356 1.00 0.00 C ATOM 717 CD GLU A 46 5.260 -21.207 8.931 1.00 0.00 C ATOM 718 OE1 GLU A 46 5.454 -21.618 7.764 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.656 -21.849 9.824 1.00 0.00 O ATOM 0 H GLU A 46 7.007 -17.633 10.195 1.00 0.00 H new ATOM 0 HA GLU A 46 7.983 -20.024 11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.676 -19.343 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.692 -20.939 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.561 -19.649 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.457 -19.076 8.729 1.00 0.00 H new ATOM 726 N THR A 47 9.963 -18.443 9.080 1.00 0.00 N ATOM 727 CA THR A 47 11.277 -18.471 8.439 1.00 0.00 C ATOM 728 C THR A 47 11.420 -17.212 7.547 1.00 0.00 C ATOM 729 O THR A 47 11.818 -17.284 6.390 1.00 0.00 O ATOM 730 CB THR A 47 11.404 -19.848 7.724 1.00 0.00 C ATOM 731 OG1 THR A 47 12.731 -20.182 7.382 1.00 0.00 O ATOM 732 CG2 THR A 47 10.500 -20.060 6.515 1.00 0.00 C ATOM 0 H THR A 47 9.331 -17.740 8.697 1.00 0.00 H new ATOM 0 HA THR A 47 12.117 -18.410 9.131 1.00 0.00 H new ATOM 0 HB THR A 47 11.047 -20.530 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.744 -21.056 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.675 -21.052 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.457 -19.974 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.720 -19.306 5.759 1.00 0.00 H new ATOM 740 N ASN A 48 11.007 -16.037 8.051 1.00 0.00 N ATOM 741 CA ASN A 48 11.063 -14.720 7.381 1.00 0.00 C ATOM 742 C ASN A 48 10.222 -14.614 6.098 1.00 0.00 C ATOM 743 O ASN A 48 10.293 -13.593 5.408 1.00 0.00 O ATOM 744 CB ASN A 48 12.504 -14.291 7.061 1.00 0.00 C ATOM 745 CG ASN A 48 13.495 -14.407 8.211 1.00 0.00 C ATOM 746 OD1 ASN A 48 13.198 -14.096 9.365 1.00 0.00 O ATOM 747 ND2 ASN A 48 14.692 -14.882 7.927 1.00 0.00 N ATOM 0 H ASN A 48 10.603 -15.973 8.986 1.00 0.00 H new ATOM 0 HA ASN A 48 10.624 -14.044 8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.868 -14.894 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.489 -13.256 6.721 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.384 -14.996 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.925 -15.136 6.967 1.00 0.00 H new ATOM 754 N LYS A 49 9.406 -15.628 5.780 1.00 0.00 N ATOM 755 CA LYS A 49 8.420 -15.588 4.697 1.00 0.00 C ATOM 756 C LYS A 49 7.614 -14.297 4.821 1.00 0.00 C ATOM 757 O LYS A 49 7.367 -13.844 5.940 1.00 0.00 O ATOM 758 CB LYS A 49 7.446 -16.777 4.824 1.00 0.00 C ATOM 759 CG LYS A 49 8.056 -18.165 4.594 1.00 0.00 C ATOM 760 CD LYS A 49 7.193 -19.256 5.252 1.00 0.00 C ATOM 761 CE LYS A 49 7.444 -20.644 4.656 1.00 0.00 C ATOM 762 NZ LYS A 49 6.503 -21.659 5.194 1.00 0.00 N ATOM 0 H LYS A 49 9.415 -16.517 6.280 1.00 0.00 H new ATOM 0 HA LYS A 49 8.936 -15.638 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.004 -16.755 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.634 -16.635 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.141 -18.357 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.065 -18.196 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.399 -19.281 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.140 -19.000 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.345 -20.596 3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.468 -20.950 4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.959 -22.594 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.243 -21.409 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.647 -21.686 4.604 1.00 0.00 H new ATOM 776 N SER A 50 7.147 -13.719 3.723 1.00 0.00 N ATOM 777 CA SER A 50 6.261 -12.572 3.845 1.00 0.00 C ATOM 778 C SER A 50 4.889 -13.035 4.345 1.00 0.00 C ATOM 779 O SER A 50 4.565 -14.225 4.283 1.00 0.00 O ATOM 780 CB SER A 50 6.140 -11.830 2.521 1.00 0.00 C ATOM 781 OG SER A 50 7.317 -11.884 1.740 1.00 0.00 O ATOM 0 H SER A 50 7.358 -14.013 2.769 1.00 0.00 H new ATOM 0 HA SER A 50 6.683 -11.875 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.314 -12.253 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.891 -10.787 2.718 1.00 0.00 H new ATOM 0 HG SER A 50 7.960 -11.222 2.071 1.00 0.00 H new ATOM 787 N ARG A 51 4.044 -12.102 4.787 1.00 0.00 N ATOM 788 CA ARG A 51 2.606 -12.345 4.906 1.00 0.00 C ATOM 789 C ARG A 51 1.941 -11.697 3.699 1.00 0.00 C ATOM 790 O ARG A 51 2.464 -10.748 3.118 1.00 0.00 O ATOM 791 CB ARG A 51 2.046 -11.744 6.207 1.00 0.00 C ATOM 792 CG ARG A 51 2.733 -12.248 7.483 1.00 0.00 C ATOM 793 CD ARG A 51 2.423 -13.700 7.864 1.00 0.00 C ATOM 794 NE ARG A 51 1.091 -13.866 8.474 1.00 0.00 N ATOM 795 CZ ARG A 51 0.621 -14.998 9.017 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.280 -16.143 8.911 1.00 0.00 N ATOM 797 NH2 ARG A 51 -0.526 -14.986 9.684 1.00 0.00 N ATOM 0 H ARG A 51 4.334 -11.166 5.070 1.00 0.00 H new ATOM 0 HA ARG A 51 2.407 -13.416 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.140 -10.659 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.981 -11.969 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.811 -12.144 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.442 -11.602 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.489 -14.325 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.182 -14.057 8.560 1.00 0.00 H new ATOM 0 HE ARG A 51 0.476 -13.052 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.166 -16.177 8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.901 -16.991 9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.049 -14.116 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.885 -15.847 10.098 1.00 0.00 H new ATOM 811 N GLY A 52 0.737 -12.140 3.361 1.00 0.00 N ATOM 812 CA GLY A 52 0.001 -11.659 2.206 1.00 0.00 C ATOM 813 C GLY A 52 -0.645 -10.291 2.409 1.00 0.00 C ATOM 814 O GLY A 52 -1.561 -9.962 1.661 1.00 0.00 O ATOM 0 H GLY A 52 0.239 -12.855 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.677 -11.607 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.775 -12.382 1.955 1.00 0.00 H new ATOM 818 N PHE A 53 -0.235 -9.482 3.387 1.00 0.00 N ATOM 819 CA PHE A 53 -0.753 -8.134 3.593 1.00 0.00 C ATOM 820 C PHE A 53 0.431 -7.197 3.822 1.00 0.00 C ATOM 821 O PHE A 53 1.457 -7.592 4.382 1.00 0.00 O ATOM 822 CB PHE A 53 -1.804 -8.092 4.712 1.00 0.00 C ATOM 823 CG PHE A 53 -1.307 -8.215 6.144 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.659 -9.381 6.596 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.545 -7.167 7.053 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.232 -9.486 7.932 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.160 -7.289 8.399 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.495 -8.445 8.838 1.00 0.00 C ATOM 0 H PHE A 53 0.476 -9.751 4.067 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.289 -7.794 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.351 -7.153 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.519 -8.895 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.489 -10.200 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.027 -6.262 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.298 -10.367 8.262 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.376 -6.493 9.096 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.187 -8.534 9.869 1.00 0.00 H new ATOM 838 N ALA A 54 0.315 -5.980 3.300 1.00 0.00 N ATOM 839 CA ALA A 54 1.348 -4.960 3.294 1.00 0.00 C ATOM 840 C ALA A 54 0.674 -3.596 3.198 1.00 0.00 C ATOM 841 O ALA A 54 -0.550 -3.482 3.073 1.00 0.00 O ATOM 842 CB ALA A 54 2.304 -5.152 2.111 1.00 0.00 C ATOM 0 H ALA A 54 -0.545 -5.667 2.849 1.00 0.00 H new ATOM 0 HA ALA A 54 1.933 -5.034 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.068 -4.375 2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.780 -6.130 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.745 -5.088 1.177 1.00 0.00 H new ATOM 848 N PHE A 55 1.462 -2.545 3.305 1.00 0.00 N ATOM 849 CA PHE A 55 0.979 -1.188 3.377 1.00 0.00 C ATOM 850 C PHE A 55 2.034 -0.309 2.762 1.00 0.00 C ATOM 851 O PHE A 55 3.221 -0.645 2.772 1.00 0.00 O ATOM 852 CB PHE A 55 0.722 -0.894 4.867 1.00 0.00 C ATOM 853 CG PHE A 55 0.726 0.562 5.245 1.00 0.00 C ATOM 854 CD1 PHE A 55 1.947 1.197 5.541 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.472 1.291 5.234 1.00 0.00 C ATOM 856 CE1 PHE A 55 1.970 2.576 5.780 1.00 0.00 C ATOM 857 CE2 PHE A 55 -0.440 2.681 5.419 1.00 0.00 C ATOM 858 CZ PHE A 55 0.785 3.310 5.691 1.00 0.00 C ATOM 0 H PHE A 55 2.479 -2.617 3.345 1.00 0.00 H new ATOM 0 HA PHE A 55 0.051 -1.011 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.242 -1.322 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.480 -1.408 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.861 0.623 5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.414 0.785 5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.897 3.069 6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.348 3.261 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.812 4.380 5.834 1.00 0.00 H new ATOM 868 N VAL A 56 1.559 0.769 2.157 1.00 0.00 N ATOM 869 CA VAL A 56 2.346 1.630 1.343 1.00 0.00 C ATOM 870 C VAL A 56 1.875 3.058 1.576 1.00 0.00 C ATOM 871 O VAL A 56 0.692 3.309 1.851 1.00 0.00 O ATOM 872 CB VAL A 56 2.198 1.174 -0.106 1.00 0.00 C ATOM 873 CG1 VAL A 56 2.837 -0.193 -0.420 1.00 0.00 C ATOM 874 CG2 VAL A 56 0.908 1.402 -0.850 1.00 0.00 C ATOM 0 H VAL A 56 0.585 1.062 2.232 1.00 0.00 H new ATOM 0 HA VAL A 56 3.407 1.592 1.591 1.00 0.00 H new ATOM 0 HB VAL A 56 2.813 1.954 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.682 -0.434 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.906 -0.152 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.376 -0.961 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.998 1.010 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.095 0.891 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.696 2.470 -0.892 1.00 0.00 H new ATOM 884 N THR A 57 2.805 3.986 1.432 1.00 0.00 N ATOM 885 CA THR A 57 2.653 5.365 1.817 1.00 0.00 C ATOM 886 C THR A 57 3.203 6.149 0.645 1.00 0.00 C ATOM 887 O THR A 57 4.423 6.255 0.483 1.00 0.00 O ATOM 888 CB THR A 57 3.448 5.626 3.100 1.00 0.00 C ATOM 889 OG1 THR A 57 3.395 4.513 3.965 1.00 0.00 O ATOM 890 CG2 THR A 57 2.917 6.791 3.924 1.00 0.00 C ATOM 0 H THR A 57 3.719 3.785 1.027 1.00 0.00 H new ATOM 0 HA THR A 57 1.622 5.646 2.030 1.00 0.00 H new ATOM 0 HB THR A 57 4.456 5.842 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.475 4.385 4.278 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.530 6.915 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.953 7.704 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.887 6.590 4.217 1.00 0.00 H new ATOM 898 N PHE A 58 2.329 6.611 -0.250 1.00 0.00 N ATOM 899 CA PHE A 58 2.829 7.444 -1.330 1.00 0.00 C ATOM 900 C PHE A 58 3.078 8.842 -0.785 1.00 0.00 C ATOM 901 O PHE A 58 2.543 9.229 0.258 1.00 0.00 O ATOM 902 CB PHE A 58 1.903 7.525 -2.542 1.00 0.00 C ATOM 903 CG PHE A 58 1.635 6.197 -3.220 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.624 5.373 -2.701 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.432 5.728 -4.290 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.435 4.093 -3.223 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.195 4.457 -4.849 1.00 0.00 C ATOM 908 CZ PHE A 58 1.185 3.642 -4.312 1.00 0.00 C ATOM 0 H PHE A 58 1.325 6.433 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 58 3.747 6.979 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.952 7.956 -2.228 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.338 8.209 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.006 5.729 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.226 6.347 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.302 3.441 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.786 4.112 -5.685 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.989 2.670 -4.740 1.00 0.00 H new ATOM 918 N GLU A 59 3.918 9.603 -1.469 1.00 0.00 N ATOM 919 CA GLU A 59 4.242 10.960 -1.110 1.00 0.00 C ATOM 920 C GLU A 59 3.089 11.946 -1.368 1.00 0.00 C ATOM 921 O GLU A 59 2.943 12.875 -0.573 1.00 0.00 O ATOM 922 CB GLU A 59 5.544 11.286 -1.839 1.00 0.00 C ATOM 923 CG GLU A 59 6.299 12.449 -1.177 1.00 0.00 C ATOM 924 CD GLU A 59 7.132 13.253 -2.175 1.00 0.00 C ATOM 925 OE1 GLU A 59 8.240 12.828 -2.579 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.699 14.378 -2.522 1.00 0.00 O ATOM 0 H GLU A 59 4.401 9.280 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 59 4.388 11.066 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.182 10.402 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.325 11.540 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.583 13.111 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.952 12.057 -0.397 1.00 0.00 H new ATOM 933 N SER A 60 2.221 11.759 -2.375 1.00 0.00 N ATOM 934 CA SER A 60 0.994 12.551 -2.510 1.00 0.00 C ATOM 935 C SER A 60 -0.239 11.679 -2.203 1.00 0.00 C ATOM 936 O SER A 60 -0.158 10.456 -2.161 1.00 0.00 O ATOM 937 CB SER A 60 0.944 13.158 -3.922 1.00 0.00 C ATOM 938 OG SER A 60 1.807 14.273 -4.059 1.00 0.00 O ATOM 0 H SER A 60 2.350 11.063 -3.109 1.00 0.00 H new ATOM 0 HA SER A 60 0.989 13.369 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.219 12.397 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.078 13.462 -4.148 1.00 0.00 H new ATOM 0 HG SER A 60 1.744 14.625 -4.971 1.00 0.00 H new ATOM 944 N PRO A 61 -1.431 12.259 -1.974 1.00 0.00 N ATOM 945 CA PRO A 61 -2.681 11.517 -2.096 1.00 0.00 C ATOM 946 C PRO A 61 -3.097 11.347 -3.557 1.00 0.00 C ATOM 947 O PRO A 61 -3.841 10.420 -3.883 1.00 0.00 O ATOM 948 CB PRO A 61 -3.707 12.342 -1.334 1.00 0.00 C ATOM 949 CG PRO A 61 -3.212 13.775 -1.531 1.00 0.00 C ATOM 950 CD PRO A 61 -1.686 13.635 -1.574 1.00 0.00 C ATOM 0 HA PRO A 61 -2.585 10.507 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.712 12.204 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.742 12.069 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.600 14.208 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.531 14.424 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.248 14.337 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.245 13.848 -0.600 1.00 0.00 H new ATOM 958 N ALA A 62 -2.636 12.238 -4.437 1.00 0.00 N ATOM 959 CA ALA A 62 -3.131 12.308 -5.796 1.00 0.00 C ATOM 960 C ALA A 62 -2.356 11.436 -6.773 1.00 0.00 C ATOM 961 O ALA A 62 -2.884 11.147 -7.841 1.00 0.00 O ATOM 962 CB ALA A 62 -3.171 13.769 -6.244 1.00 0.00 C ATOM 0 H ALA A 62 -1.913 12.924 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.141 11.899 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.543 13.826 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.831 14.333 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.167 14.191 -6.199 1.00 0.00 H new ATOM 968 N ASP A 63 -1.169 10.965 -6.413 1.00 0.00 N ATOM 969 CA ASP A 63 -0.546 9.838 -7.091 1.00 0.00 C ATOM 970 C ASP A 63 -1.132 8.537 -6.519 1.00 0.00 C ATOM 971 O ASP A 63 -1.443 7.604 -7.261 1.00 0.00 O ATOM 972 CB ASP A 63 0.977 9.952 -6.951 1.00 0.00 C ATOM 973 CG ASP A 63 1.531 9.481 -5.626 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.008 9.985 -4.608 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.509 8.717 -5.643 1.00 0.00 O ATOM 0 H ASP A 63 -0.615 11.351 -5.648 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.757 9.835 -8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.445 9.376 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.264 10.993 -7.099 1.00 0.00 H new ATOM 980 N ALA A 64 -1.426 8.525 -5.213 1.00 0.00 N ATOM 981 CA ALA A 64 -1.968 7.360 -4.513 1.00 0.00 C ATOM 982 C ALA A 64 -3.339 6.961 -5.061 1.00 0.00 C ATOM 983 O ALA A 64 -3.601 5.769 -5.239 1.00 0.00 O ATOM 984 CB ALA A 64 -2.073 7.623 -3.006 1.00 0.00 C ATOM 0 H ALA A 64 -1.292 9.335 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.275 6.536 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.479 6.741 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.083 7.842 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.732 8.473 -2.830 1.00 0.00 H new ATOM 990 N LYS A 65 -4.213 7.943 -5.330 1.00 0.00 N ATOM 991 CA LYS A 65 -5.555 7.683 -5.853 1.00 0.00 C ATOM 992 C LYS A 65 -5.477 6.895 -7.145 1.00 0.00 C ATOM 993 O LYS A 65 -6.244 5.958 -7.334 1.00 0.00 O ATOM 994 CB LYS A 65 -6.381 8.970 -6.048 1.00 0.00 C ATOM 995 CG LYS A 65 -5.968 9.859 -7.228 1.00 0.00 C ATOM 996 CD LYS A 65 -6.639 11.242 -7.254 1.00 0.00 C ATOM 997 CE LYS A 65 -6.494 11.934 -8.622 1.00 0.00 C ATOM 998 NZ LYS A 65 -5.118 11.927 -9.165 1.00 0.00 N ATOM 0 H LYS A 65 -4.007 8.932 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.077 7.089 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.427 8.691 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.319 9.561 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.887 9.995 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.202 9.339 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.697 11.135 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.198 11.872 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.156 11.444 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.831 12.967 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.939 12.819 -9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.437 11.828 -8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.009 11.129 -9.823 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.565 7.285 -8.032 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.452 6.709 -9.348 1.00 0.00 C ATOM 1014 C ASP A 66 -3.954 5.280 -9.210 1.00 0.00 C ATOM 1015 O ASP A 66 -4.462 4.383 -9.879 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.466 7.516 -10.194 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.142 8.671 -10.958 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.007 9.366 -10.376 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -3.771 8.987 -12.113 1.00 0.00 O ATOM 0 H ASP A 66 -3.881 8.018 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.425 6.723 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.686 7.920 -9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.977 6.852 -10.907 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.988 5.050 -8.313 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.481 3.712 -8.075 1.00 0.00 C ATOM 1026 C ALA A 67 -3.621 2.788 -7.614 1.00 0.00 C ATOM 1027 O ALA A 67 -3.779 1.668 -8.114 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.348 3.749 -7.035 1.00 0.00 C ATOM 0 H ALA A 67 -2.549 5.776 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.075 3.316 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.976 2.738 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.537 4.377 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.727 4.158 -6.098 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.442 3.282 -6.679 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.651 2.642 -6.170 1.00 0.00 C ATOM 1036 C ALA A 68 -6.819 2.640 -7.176 1.00 0.00 C ATOM 1037 O ALA A 68 -7.920 2.221 -6.804 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.072 3.334 -4.863 1.00 0.00 C ATOM 0 H ALA A 68 -4.268 4.185 -6.238 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.411 1.594 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.975 2.862 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.271 3.243 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.269 4.389 -5.057 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.626 3.106 -8.413 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.614 3.067 -9.490 1.00 0.00 C ATOM 1046 C ARG A 69 -7.144 2.189 -10.651 1.00 0.00 C ATOM 1047 O ARG A 69 -7.874 2.054 -11.634 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.925 4.502 -9.947 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.885 5.228 -9.006 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.000 6.720 -9.361 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.391 7.175 -9.239 1.00 0.00 N ATOM 1052 CZ ARG A 69 -10.835 8.395 -8.928 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -10.008 9.437 -8.885 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.132 8.542 -8.679 1.00 0.00 N ATOM 0 H ARG A 69 -5.746 3.535 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.531 2.614 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.995 5.066 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.356 4.474 -10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.869 4.763 -9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.538 5.123 -7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.361 7.307 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.645 6.886 -10.378 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.108 6.471 -9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.017 9.311 -9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.365 10.362 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.755 7.736 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.504 9.461 -8.438 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.959 1.578 -10.567 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.416 0.742 -11.636 1.00 0.00 C ATOM 1070 C ASP A 70 -5.063 -0.648 -11.117 1.00 0.00 C ATOM 1071 O ASP A 70 -5.466 -1.644 -11.718 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.207 1.432 -12.272 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.675 0.662 -13.483 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -3.030 -0.400 -13.303 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.805 1.164 -14.622 1.00 0.00 O ATOM 0 H ASP A 70 -5.349 1.651 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.178 0.611 -12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.485 2.440 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.415 1.531 -11.530 1.00 0.00 H new ATOM 1080 N MET A 71 -4.337 -0.742 -9.997 1.00 0.00 N ATOM 1081 CA MET A 71 -3.839 -2.014 -9.477 1.00 0.00 C ATOM 1082 C MET A 71 -4.806 -2.724 -8.522 1.00 0.00 C ATOM 1083 O MET A 71 -4.479 -3.785 -7.988 1.00 0.00 O ATOM 1084 CB MET A 71 -2.456 -1.804 -8.845 1.00 0.00 C ATOM 1085 CG MET A 71 -1.360 -1.902 -9.904 1.00 0.00 C ATOM 1086 SD MET A 71 0.268 -2.446 -9.308 1.00 0.00 S ATOM 1087 CE MET A 71 -0.147 -4.053 -8.593 1.00 0.00 C ATOM 0 H MET A 71 -4.080 0.064 -9.428 1.00 0.00 H new ATOM 0 HA MET A 71 -3.751 -2.693 -10.325 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.416 -0.828 -8.362 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.287 -2.551 -8.069 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.691 -2.592 -10.680 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.246 -0.925 -10.374 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.733 -4.696 -8.608 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.480 -3.918 -7.564 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.944 -4.515 -9.175 1.00 0.00 H new ATOM 1097 N ASN A 72 -6.000 -2.183 -8.301 1.00 0.00 N ATOM 1098 CA ASN A 72 -7.045 -2.852 -7.536 1.00 0.00 C ATOM 1099 C ASN A 72 -7.477 -4.161 -8.205 1.00 0.00 C ATOM 1100 O ASN A 72 -7.498 -4.287 -9.428 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.248 -1.926 -7.356 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.769 -1.376 -8.678 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.235 -0.389 -9.177 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.793 -1.959 -9.273 1.00 0.00 N ATOM 0 H ASN A 72 -6.271 -1.263 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.636 -3.096 -6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.048 -2.469 -6.853 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.969 -1.096 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.148 -1.590 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.230 -2.778 -8.850 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.851 -5.143 -7.381 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.514 -6.396 -7.746 1.00 0.00 C ATOM 1113 C GLY A 73 -7.739 -7.382 -8.634 1.00 0.00 C ATOM 1114 O GLY A 73 -8.150 -8.543 -8.718 1.00 0.00 O ATOM 0 H GLY A 73 -7.688 -5.079 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.783 -6.914 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.445 -6.147 -8.255 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.664 -6.971 -9.310 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.933 -7.813 -10.258 1.00 0.00 C ATOM 1120 C LYS A 74 -5.142 -8.901 -9.543 1.00 0.00 C ATOM 1121 O LYS A 74 -5.190 -9.043 -8.324 1.00 0.00 O ATOM 1122 CB LYS A 74 -5.062 -6.925 -11.167 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.895 -6.234 -10.449 1.00 0.00 C ATOM 1124 CD LYS A 74 -3.191 -5.210 -11.350 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.473 -5.820 -12.561 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.261 -6.578 -12.178 1.00 0.00 N ATOM 0 H LYS A 74 -6.273 -6.034 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.641 -8.342 -10.896 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.664 -7.536 -11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.694 -6.163 -11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.265 -5.735 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.175 -6.984 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.928 -4.489 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.466 -4.657 -10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.159 -6.481 -13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.197 -5.025 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.730 -6.840 -13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.662 -5.988 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.538 -7.439 -11.665 1.00 0.00 H new ATOM 1140 N SER A 75 -4.390 -9.672 -10.313 1.00 0.00 N ATOM 1141 CA SER A 75 -3.366 -10.564 -9.817 1.00 0.00 C ATOM 1142 C SER A 75 -2.014 -9.926 -10.090 1.00 0.00 C ATOM 1143 O SER A 75 -1.857 -9.059 -10.959 1.00 0.00 O ATOM 1144 CB SER A 75 -3.579 -11.931 -10.470 1.00 0.00 C ATOM 1145 OG SER A 75 -2.453 -12.782 -10.386 1.00 0.00 O ATOM 0 H SER A 75 -4.482 -9.691 -11.329 1.00 0.00 H new ATOM 0 HA SER A 75 -3.414 -10.726 -8.740 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.430 -12.421 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.837 -11.787 -11.519 1.00 0.00 H new ATOM 0 HG SER A 75 -2.656 -13.637 -10.820 1.00 0.00 H new ATOM 1151 N LEU A 76 -1.022 -10.357 -9.331 1.00 0.00 N ATOM 1152 CA LEU A 76 0.370 -9.985 -9.422 1.00 0.00 C ATOM 1153 C LEU A 76 1.143 -11.259 -9.133 1.00 0.00 C ATOM 1154 O LEU A 76 0.970 -11.850 -8.069 1.00 0.00 O ATOM 1155 CB LEU A 76 0.666 -8.888 -8.391 1.00 0.00 C ATOM 1156 CG LEU A 76 2.120 -8.380 -8.438 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.460 -7.711 -9.777 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.329 -7.365 -7.312 1.00 0.00 C ATOM 0 H LEU A 76 -1.186 -11.027 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 76 0.646 -9.583 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.010 -8.049 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.455 -9.271 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 76 2.776 -9.242 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.495 -7.370 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.327 -8.429 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.800 -6.859 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.356 -7.000 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.643 -6.528 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.137 -7.843 -6.351 1.00 0.00 H new ATOM 1170 N ASP A 77 1.928 -11.714 -10.107 1.00 0.00 N ATOM 1171 CA ASP A 77 2.824 -12.864 -9.984 1.00 0.00 C ATOM 1172 C ASP A 77 2.112 -14.169 -9.592 1.00 0.00 C ATOM 1173 O ASP A 77 2.729 -15.091 -9.060 1.00 0.00 O ATOM 1174 CB ASP A 77 3.995 -12.518 -9.045 1.00 0.00 C ATOM 1175 CG ASP A 77 5.254 -13.356 -9.305 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.353 -14.022 -10.367 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.197 -13.252 -8.487 1.00 0.00 O ATOM 0 H ASP A 77 1.960 -11.281 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 77 3.225 -13.070 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.241 -11.462 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.678 -12.663 -8.012 1.00 0.00 H new ATOM 1182 N GLY A 78 0.807 -14.264 -9.865 1.00 0.00 N ATOM 1183 CA GLY A 78 0.005 -15.444 -9.568 1.00 0.00 C ATOM 1184 C GLY A 78 -0.708 -15.368 -8.219 1.00 0.00 C ATOM 1185 O GLY A 78 -1.203 -16.391 -7.742 1.00 0.00 O ATOM 0 H GLY A 78 0.276 -13.512 -10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.736 -15.578 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.648 -16.324 -9.582 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.766 -14.185 -7.597 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.472 -13.913 -6.354 1.00 0.00 C ATOM 1191 C LYS A 79 -2.508 -12.846 -6.647 1.00 0.00 C ATOM 1192 O LYS A 79 -2.154 -11.767 -7.122 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.478 -13.433 -5.276 1.00 0.00 C ATOM 1194 CG LYS A 79 0.766 -14.311 -5.071 1.00 0.00 C ATOM 1195 CD LYS A 79 0.412 -15.758 -4.727 1.00 0.00 C ATOM 1196 CE LYS A 79 1.672 -16.580 -4.443 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.359 -18.012 -4.288 1.00 0.00 N ATOM 0 H LYS A 79 -0.299 -13.358 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.957 -14.813 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.150 -12.426 -5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.009 -13.361 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.372 -14.294 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.376 -13.890 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.243 -15.778 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.141 -16.207 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.385 -16.448 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.152 -16.211 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.234 -18.540 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.698 -18.139 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.924 -18.369 -5.163 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.780 -13.118 -6.368 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.812 -12.087 -6.380 1.00 0.00 C ATOM 1213 C ALA A 80 -4.474 -11.053 -5.303 1.00 0.00 C ATOM 1214 O ALA A 80 -4.275 -11.431 -4.145 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.173 -12.719 -6.099 1.00 0.00 C ATOM 0 H ALA A 80 -4.121 -14.049 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.852 -11.602 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.942 -11.946 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.395 -13.461 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.155 -13.201 -5.122 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.415 -9.773 -5.669 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.108 -8.676 -4.760 1.00 0.00 C ATOM 1223 C ILE A 81 -5.365 -7.849 -4.496 1.00 0.00 C ATOM 1224 O ILE A 81 -6.313 -7.830 -5.285 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.916 -7.828 -5.263 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.185 -7.182 -6.641 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.630 -8.674 -5.301 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.192 -6.073 -6.982 1.00 0.00 C ATOM 0 H ILE A 81 -4.583 -9.466 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.785 -9.090 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.785 -7.012 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.141 -7.951 -7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.196 -6.774 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.802 -8.061 -5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.406 -9.040 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.771 -9.520 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.432 -5.658 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.252 -5.287 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.182 -6.482 -6.999 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.355 -7.116 -3.382 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.430 -6.200 -3.004 1.00 0.00 C ATOM 1242 C LYS A 82 -5.767 -4.906 -2.590 1.00 0.00 C ATOM 1243 O LYS A 82 -5.358 -4.816 -1.439 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.273 -6.785 -1.852 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.097 -8.019 -2.237 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.329 -7.670 -3.091 1.00 0.00 C ATOM 1247 CE LYS A 82 -9.451 -8.633 -4.275 1.00 0.00 C ATOM 1248 NZ LYS A 82 -10.779 -8.549 -4.907 1.00 0.00 N ATOM 0 H LYS A 82 -4.589 -7.143 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.115 -6.036 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.609 -7.048 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.948 -6.013 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.464 -8.716 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.422 -8.531 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.229 -7.721 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.248 -6.646 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.681 -8.404 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.273 -9.653 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.826 -9.214 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.511 -8.792 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.938 -7.581 -5.253 1.00 0.00 H new ATOM 1262 N VAL A 83 -5.550 -3.981 -3.520 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.180 -2.609 -3.192 1.00 0.00 C ATOM 1264 C VAL A 83 -6.465 -1.936 -2.724 1.00 0.00 C ATOM 1265 O VAL A 83 -7.477 -2.069 -3.411 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.602 -1.889 -4.427 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.177 -0.450 -4.096 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.385 -2.644 -4.979 1.00 0.00 C ATOM 0 H VAL A 83 -5.626 -4.161 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.408 -2.574 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.394 -1.864 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.775 0.025 -4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.041 0.113 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.413 -0.466 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.994 -2.117 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.613 -2.700 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.683 -3.652 -5.268 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.421 -1.256 -1.579 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.519 -0.490 -1.024 1.00 0.00 C ATOM 1280 C GLU A 84 -6.995 0.810 -0.403 1.00 0.00 C ATOM 1281 O GLU A 84 -5.786 1.067 -0.353 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.220 -1.329 0.050 1.00 0.00 C ATOM 1283 CG GLU A 84 -8.825 -2.651 -0.441 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.088 -2.457 -1.294 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.459 -1.292 -1.587 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.762 -3.470 -1.570 1.00 0.00 O ATOM 0 H GLU A 84 -5.585 -1.227 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.223 -0.240 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.503 -1.548 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.013 -0.729 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.079 -3.190 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.068 -3.274 0.420 1.00 0.00 H new ATOM 1293 N GLN A 85 -7.910 1.624 0.125 1.00 0.00 N ATOM 1294 CA GLN A 85 -7.619 2.921 0.725 1.00 0.00 C ATOM 1295 C GLN A 85 -8.121 2.906 2.174 1.00 0.00 C ATOM 1296 O GLN A 85 -9.252 3.307 2.447 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.214 4.065 -0.122 1.00 0.00 C ATOM 1298 CG GLN A 85 -7.877 3.971 -1.627 1.00 0.00 C ATOM 1299 CD GLN A 85 -7.763 5.331 -2.317 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -8.478 5.620 -3.276 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -6.862 6.184 -1.851 1.00 0.00 N ATOM 0 H GLN A 85 -8.902 1.390 0.146 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.545 3.106 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.297 4.067 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.849 5.017 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.937 3.433 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.647 3.383 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.279 5.926 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.752 7.099 -2.288 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.299 2.392 3.098 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.670 2.132 4.490 1.00 0.00 C ATOM 1312 C ALA A 86 -7.873 3.424 5.308 1.00 0.00 C ATOM 1313 O ALA A 86 -7.032 3.786 6.137 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.644 1.194 5.139 1.00 0.00 C ATOM 0 H ALA A 86 -6.333 2.140 2.890 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.641 1.636 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.927 1.006 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.617 0.251 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.658 1.658 5.111 1.00 0.00 H new ATOM 1320 N THR A 87 -8.993 4.113 5.100 1.00 0.00 N ATOM 1321 CA THR A 87 -9.382 5.346 5.777 1.00 0.00 C ATOM 1322 C THR A 87 -10.919 5.432 5.804 1.00 0.00 C ATOM 1323 O THR A 87 -11.611 4.430 5.618 1.00 0.00 O ATOM 1324 CB THR A 87 -8.671 6.547 5.105 1.00 0.00 C ATOM 1325 OG1 THR A 87 -8.849 7.722 5.885 1.00 0.00 O ATOM 1326 CG2 THR A 87 -9.109 6.794 3.656 1.00 0.00 C ATOM 0 H THR A 87 -9.689 3.810 4.419 1.00 0.00 H new ATOM 0 HA THR A 87 -9.059 5.362 6.818 1.00 0.00 H new ATOM 0 HB THR A 87 -7.613 6.289 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.394 8.474 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.568 7.650 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.891 5.912 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.180 6.996 3.629 1.00 0.00 H new ATOM 1334 N LYS A 88 -11.457 6.618 6.097 1.00 0.00 N ATOM 1335 CA LYS A 88 -12.872 6.981 6.064 1.00 0.00 C ATOM 1336 C LYS A 88 -13.037 8.197 5.141 1.00 0.00 C ATOM 1337 O LYS A 88 -12.059 8.921 4.936 1.00 0.00 O ATOM 1338 CB LYS A 88 -13.382 7.236 7.497 1.00 0.00 C ATOM 1339 CG LYS A 88 -12.495 8.183 8.335 1.00 0.00 C ATOM 1340 CD LYS A 88 -13.070 8.480 9.727 1.00 0.00 C ATOM 1341 CE LYS A 88 -13.260 7.223 10.580 1.00 0.00 C ATOM 1342 NZ LYS A 88 -14.018 7.506 11.816 1.00 0.00 N ATOM 0 H LYS A 88 -10.873 7.404 6.383 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.479 6.170 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.387 7.654 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.462 6.281 8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.505 7.740 8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.366 9.121 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.405 9.169 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.029 8.985 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.784 6.465 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.285 6.809 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.125 6.630 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.505 8.210 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.958 7.877 11.570 1.00 0.00 H new ATOM 1356 N PRO A 89 -14.230 8.445 4.579 1.00 0.00 N ATOM 1357 CA PRO A 89 -14.419 9.516 3.605 1.00 0.00 C ATOM 1358 C PRO A 89 -14.519 10.896 4.259 1.00 0.00 C ATOM 1359 O PRO A 89 -14.118 11.882 3.646 1.00 0.00 O ATOM 1360 CB PRO A 89 -15.710 9.155 2.867 1.00 0.00 C ATOM 1361 CG PRO A 89 -16.510 8.388 3.919 1.00 0.00 C ATOM 1362 CD PRO A 89 -15.442 7.655 4.726 1.00 0.00 C ATOM 0 HA PRO A 89 -13.564 9.590 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -16.241 10.044 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -15.513 8.544 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -17.094 9.061 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -17.212 7.692 3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -15.731 7.572 5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -15.297 6.641 4.354 1.00 0.00 H new ATOM 1370 N SER A 90 -15.046 10.950 5.482 1.00 0.00 N ATOM 1371 CA SER A 90 -15.322 12.128 6.288 1.00 0.00 C ATOM 1372 C SER A 90 -15.014 11.784 7.743 1.00 0.00 C ATOM 1373 O SER A 90 -14.863 10.603 8.073 1.00 0.00 O ATOM 1374 CB SER A 90 -16.805 12.502 6.138 1.00 0.00 C ATOM 1375 OG SER A 90 -17.666 11.379 6.291 1.00 0.00 O ATOM 0 H SER A 90 -15.312 10.095 5.971 1.00 0.00 H new ATOM 0 HA SER A 90 -14.711 12.972 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.063 13.258 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.967 12.949 5.157 1.00 0.00 H new ATOM 0 HG SER A 90 -18.598 11.665 6.189 1.00 0.00 H new ATOM 1381 N PHE A 91 -15.000 12.780 8.628 1.00 0.00 N ATOM 1382 CA PHE A 91 -14.841 12.573 10.057 1.00 0.00 C ATOM 1383 C PHE A 91 -15.947 13.254 10.854 1.00 0.00 C ATOM 1384 O PHE A 91 -16.377 14.368 10.555 1.00 0.00 O ATOM 1385 CB PHE A 91 -13.464 13.049 10.510 1.00 0.00 C ATOM 1386 CG PHE A 91 -13.177 12.842 11.988 1.00 0.00 C ATOM 1387 CD1 PHE A 91 -13.496 11.630 12.644 1.00 0.00 C ATOM 1388 CD2 PHE A 91 -12.549 13.872 12.710 1.00 0.00 C ATOM 1389 CE1 PHE A 91 -13.137 11.441 13.990 1.00 0.00 C ATOM 1390 CE2 PHE A 91 -12.217 13.693 14.061 1.00 0.00 C ATOM 1391 CZ PHE A 91 -12.501 12.472 14.698 1.00 0.00 C ATOM 0 H PHE A 91 -15.100 13.760 8.365 1.00 0.00 H new ATOM 0 HA PHE A 91 -14.921 11.503 10.251 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.704 12.526 9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.367 14.110 10.280 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -14.016 10.849 12.110 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -12.321 14.808 12.221 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.351 10.502 14.479 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -11.744 14.492 14.612 1.00 0.00 H new ATOM 0 HZ PHE A 91 -12.229 12.328 15.733 1.00 0.00 H new ATOM 1401 N GLU A 92 -16.445 12.519 11.839 1.00 0.00 N ATOM 1402 CA GLU A 92 -17.171 13.019 12.996 1.00 0.00 C ATOM 1403 C GLU A 92 -16.279 13.945 13.811 1.00 0.00 C ATOM 1404 O GLU A 92 -16.460 15.172 13.660 1.00 0.00 O ATOM 1405 CB GLU A 92 -17.627 11.824 13.847 1.00 0.00 C ATOM 1406 CG GLU A 92 -18.970 11.250 13.380 1.00 0.00 C ATOM 1407 CD GLU A 92 -20.206 12.042 13.832 1.00 0.00 C ATOM 1408 OE1 GLU A 92 -20.129 13.260 14.127 1.00 0.00 O ATOM 1409 OE2 GLU A 92 -21.292 11.415 13.884 1.00 0.00 O ATOM 0 H GLU A 92 -16.348 11.504 11.852 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.043 13.587 12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -16.868 11.043 13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.710 12.134 14.889 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -18.968 11.199 12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -19.058 10.227 13.747 1.00 0.00 H new TER 1416 GLU A 92