USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 124 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 51 HIS : no HD1:sc= 0.316 K(o=0.47,f=-1.3) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.155 K(o=0.47,f=-1.3) USER MOD Set 1.3: A 56 HIS : no HD1:sc= 0 X(o=0.47,f=0.47) USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.0101 (180deg=0) USER MOD Single : A 2 SER OG : rot -98:sc= 0.151 USER MOD Single : A 3 MET CE :methyl -169:sc= 0 (180deg=-0.187) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.86) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= -0.173 (180deg=-0.173) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 75:sc= 0.357 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 83:sc= 0.278 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.047) USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.719 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 62:sc= 0.478 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 51.709 -23.333 -20.132 1.00 0.00 N ATOM 2 CA ALA A 1 51.250 -22.635 -18.918 1.00 0.00 C ATOM 3 C ALA A 1 51.911 -21.305 -18.778 1.00 0.00 C ATOM 4 O ALA A 1 53.112 -21.151 -19.014 1.00 0.00 O ATOM 5 CB ALA A 1 51.563 -23.467 -17.661 1.00 0.00 C ATOM 0 H1 ALA A 1 51.868 -24.338 -19.916 1.00 0.00 H new ATOM 0 H2 ALA A 1 50.986 -23.249 -20.875 1.00 0.00 H new ATOM 0 H3 ALA A 1 52.597 -22.905 -20.464 1.00 0.00 H new ATOM 0 HA ALA A 1 50.173 -22.497 -19.015 1.00 0.00 H new ATOM 0 HB1 ALA A 1 51.216 -22.934 -16.776 1.00 0.00 H new ATOM 0 HB2 ALA A 1 51.056 -24.430 -17.726 1.00 0.00 H new ATOM 0 HB3 ALA A 1 52.639 -23.627 -17.589 1.00 0.00 H new ATOM 9 N SER A 2 51.075 -20.306 -18.425 1.00 0.00 N ATOM 10 CA SER A 2 51.521 -18.955 -18.228 1.00 0.00 C ATOM 11 C SER A 2 52.126 -18.823 -16.856 1.00 0.00 C ATOM 12 O SER A 2 51.628 -19.399 -15.884 1.00 0.00 O ATOM 13 CB SER A 2 50.395 -17.910 -18.402 1.00 0.00 C ATOM 14 OG SER A 2 50.866 -16.591 -18.161 1.00 0.00 O ATOM 0 H SER A 2 50.075 -20.437 -18.274 1.00 0.00 H new ATOM 0 HA SER A 2 52.263 -18.749 -18.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 49.991 -17.974 -19.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 49.578 -18.137 -17.717 1.00 0.00 H new ATOM 0 HG SER A 2 50.646 -16.328 -17.243 1.00 0.00 H new ATOM 17 N MET A 3 53.263 -18.094 -16.784 1.00 0.00 N ATOM 18 CA MET A 3 53.948 -17.852 -15.542 1.00 0.00 C ATOM 19 C MET A 3 53.681 -16.429 -15.116 1.00 0.00 C ATOM 20 O MET A 3 53.415 -16.181 -13.938 1.00 0.00 O ATOM 21 CB MET A 3 55.481 -18.003 -15.670 1.00 0.00 C ATOM 22 CG MET A 3 55.966 -19.394 -16.112 1.00 0.00 C ATOM 23 SD MET A 3 55.495 -20.798 -15.051 1.00 0.00 S ATOM 24 CE MET A 3 56.545 -20.361 -13.635 1.00 0.00 C ATOM 0 H MET A 3 53.711 -17.668 -17.595 1.00 0.00 H new ATOM 0 HA MET A 3 53.581 -18.585 -14.823 1.00 0.00 H new ATOM 0 HB2 MET A 3 55.845 -17.265 -16.385 1.00 0.00 H new ATOM 0 HB3 MET A 3 55.935 -17.766 -14.708 1.00 0.00 H new ATOM 0 HG2 MET A 3 55.587 -19.584 -17.116 1.00 0.00 H new ATOM 0 HG3 MET A 3 57.054 -19.369 -16.181 1.00 0.00 H new ATOM 0 HE1 MET A 3 56.569 -21.192 -12.930 1.00 0.00 H new ATOM 0 HE2 MET A 3 57.556 -20.151 -13.983 1.00 0.00 H new ATOM 0 HE3 MET A 3 56.141 -19.478 -13.141 1.00 0.00 H new ATOM 26 N GLY A 4 53.434 -15.540 -16.107 1.00 0.00 N ATOM 27 CA GLY A 4 53.167 -14.151 -15.874 1.00 0.00 C ATOM 28 C GLY A 4 51.726 -13.894 -16.141 1.00 0.00 C ATOM 29 O GLY A 4 50.859 -14.701 -15.796 1.00 0.00 O ATOM 0 H GLY A 4 53.421 -15.798 -17.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 53.415 -13.885 -14.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 53.788 -13.532 -16.522 1.00 0.00 H new ATOM 31 N LYS A 5 51.460 -12.713 -16.750 1.00 0.00 N ATOM 32 CA LYS A 5 50.166 -12.191 -17.125 1.00 0.00 C ATOM 33 C LYS A 5 49.376 -11.734 -15.932 1.00 0.00 C ATOM 34 O LYS A 5 48.924 -10.588 -15.920 1.00 0.00 O ATOM 35 CB LYS A 5 49.318 -13.103 -18.055 1.00 0.00 C ATOM 36 CG LYS A 5 49.938 -13.281 -19.449 1.00 0.00 C ATOM 37 CD LYS A 5 49.096 -14.103 -20.426 1.00 0.00 C ATOM 38 CE LYS A 5 49.785 -14.340 -21.772 1.00 0.00 C ATOM 39 NZ LYS A 5 48.942 -15.192 -22.635 1.00 0.00 N ATOM 0 H LYS A 5 52.212 -12.071 -17.001 1.00 0.00 H new ATOM 0 HA LYS A 5 50.403 -11.322 -17.739 1.00 0.00 H new ATOM 0 HB2 LYS A 5 49.201 -14.081 -17.588 1.00 0.00 H new ATOM 0 HB3 LYS A 5 48.320 -12.678 -18.159 1.00 0.00 H new ATOM 0 HG2 LYS A 5 50.113 -12.296 -19.882 1.00 0.00 H new ATOM 0 HG3 LYS A 5 50.912 -13.759 -19.340 1.00 0.00 H new ATOM 0 HD2 LYS A 5 48.862 -15.066 -19.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 48.148 -13.592 -20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 5 49.975 -13.386 -22.264 1.00 0.00 H new ATOM 0 HE3 LYS A 5 50.753 -14.815 -21.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 49.421 -15.345 -23.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 48.783 -16.108 -22.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 48.028 -14.723 -22.799 1.00 0.00 H new ATOM 44 N SER A 6 49.206 -12.604 -14.901 1.00 0.00 N ATOM 45 CA SER A 6 48.493 -12.275 -13.695 1.00 0.00 C ATOM 46 C SER A 6 49.362 -11.301 -12.948 1.00 0.00 C ATOM 47 O SER A 6 50.537 -11.562 -12.672 1.00 0.00 O ATOM 48 CB SER A 6 48.218 -13.511 -12.809 1.00 0.00 C ATOM 49 OG SER A 6 47.526 -13.158 -11.620 1.00 0.00 O ATOM 0 H SER A 6 49.574 -13.555 -14.910 1.00 0.00 H new ATOM 0 HA SER A 6 47.517 -11.860 -13.948 1.00 0.00 H new ATOM 0 HB2 SER A 6 47.631 -14.238 -13.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.162 -13.993 -12.552 1.00 0.00 H new ATOM 0 HG SER A 6 47.366 -13.962 -11.083 1.00 0.00 H new ATOM 52 N LYS A 7 48.767 -10.137 -12.624 1.00 0.00 N ATOM 53 CA LYS A 7 49.437 -9.071 -11.934 1.00 0.00 C ATOM 54 C LYS A 7 48.704 -8.738 -10.664 1.00 0.00 C ATOM 55 O LYS A 7 47.532 -9.085 -10.493 1.00 0.00 O ATOM 56 CB LYS A 7 49.550 -7.769 -12.767 1.00 0.00 C ATOM 57 CG LYS A 7 50.313 -7.859 -14.096 1.00 0.00 C ATOM 58 CD LYS A 7 51.820 -8.076 -13.946 1.00 0.00 C ATOM 59 CE LYS A 7 52.580 -8.045 -15.272 1.00 0.00 C ATOM 60 NZ LYS A 7 54.009 -8.332 -15.040 1.00 0.00 N ATOM 0 H LYS A 7 47.794 -9.930 -12.847 1.00 0.00 H new ATOM 0 HA LYS A 7 50.445 -9.436 -11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 7 48.542 -7.413 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 7 50.033 -7.012 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 7 49.897 -8.677 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 7 50.145 -6.942 -14.660 1.00 0.00 H new ATOM 0 HD2 LYS A 7 52.225 -7.308 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 7 51.993 -9.036 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 7 52.160 -8.779 -15.959 1.00 0.00 H new ATOM 0 HE3 LYS A 7 52.468 -7.068 -15.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 54.519 -8.309 -15.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 54.408 -7.616 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 54.109 -9.274 -14.610 1.00 0.00 H new ATOM 65 N GLU A 8 49.427 -8.051 -9.740 1.00 0.00 N ATOM 66 CA GLU A 8 48.985 -7.605 -8.436 1.00 0.00 C ATOM 67 C GLU A 8 48.431 -8.722 -7.579 1.00 0.00 C ATOM 68 O GLU A 8 47.467 -8.538 -6.833 1.00 0.00 O ATOM 69 CB GLU A 8 47.993 -6.395 -8.436 1.00 0.00 C ATOM 70 CG GLU A 8 48.535 -5.039 -8.931 1.00 0.00 C ATOM 71 CD GLU A 8 48.419 -4.848 -10.446 1.00 0.00 C ATOM 72 OE1 GLU A 8 49.048 -3.878 -10.942 1.00 0.00 O ATOM 73 OE2 GLU A 8 47.678 -5.605 -11.130 1.00 0.00 O ATOM 0 H GLU A 8 50.396 -7.788 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 8 49.911 -7.241 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 8 47.135 -6.662 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 8 47.624 -6.260 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 8 47.994 -4.236 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 8 49.582 -4.948 -8.641 1.00 0.00 H new ATOM 75 N ILE A 9 49.095 -9.905 -7.626 1.00 0.00 N ATOM 76 CA ILE A 9 48.690 -11.090 -6.896 1.00 0.00 C ATOM 77 C ILE A 9 48.802 -10.801 -5.410 1.00 0.00 C ATOM 78 O ILE A 9 47.869 -11.081 -4.654 1.00 0.00 O ATOM 79 CB ILE A 9 49.558 -12.289 -7.285 1.00 0.00 C ATOM 80 CG1 ILE A 9 49.288 -12.663 -8.757 1.00 0.00 C ATOM 81 CG2 ILE A 9 49.278 -13.502 -6.364 1.00 0.00 C ATOM 82 CD1 ILE A 9 50.288 -13.655 -9.355 1.00 0.00 C ATOM 0 H ILE A 9 49.936 -10.044 -8.186 1.00 0.00 H new ATOM 0 HA ILE A 9 47.659 -11.342 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 9 50.606 -12.014 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 9 48.286 -13.086 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 9 49.296 -11.753 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 9 49.908 -14.339 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 9 49.498 -13.233 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 9 48.230 -13.789 -6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 9 50.021 -13.860 -10.392 1.00 0.00 H new ATOM 0 HD12 ILE A 9 51.291 -13.229 -9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 9 50.266 -14.583 -8.784 1.00 0.00 H new ATOM 84 N SER A 10 49.943 -10.217 -4.985 1.00 0.00 N ATOM 85 CA SER A 10 50.201 -9.863 -3.615 1.00 0.00 C ATOM 86 C SER A 10 49.542 -8.571 -3.204 1.00 0.00 C ATOM 87 O SER A 10 48.996 -8.473 -2.103 1.00 0.00 O ATOM 88 CB SER A 10 51.717 -9.752 -3.336 1.00 0.00 C ATOM 89 OG SER A 10 52.307 -8.735 -4.137 1.00 0.00 O ATOM 0 H SER A 10 50.711 -9.983 -5.614 1.00 0.00 H new ATOM 0 HA SER A 10 49.770 -10.671 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 10 51.882 -9.531 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 10 52.200 -10.708 -3.541 1.00 0.00 H new ATOM 0 HG SER A 10 53.266 -8.681 -3.943 1.00 0.00 H new ATOM 92 N GLN A 11 49.546 -7.577 -4.124 1.00 0.00 N ATOM 93 CA GLN A 11 49.023 -6.252 -3.902 1.00 0.00 C ATOM 94 C GLN A 11 47.569 -6.119 -3.589 1.00 0.00 C ATOM 95 O GLN A 11 47.205 -5.179 -2.881 1.00 0.00 O ATOM 96 CB GLN A 11 49.384 -5.240 -5.009 1.00 0.00 C ATOM 97 CG GLN A 11 50.878 -4.880 -5.060 1.00 0.00 C ATOM 98 CD GLN A 11 51.314 -4.191 -3.760 1.00 0.00 C ATOM 99 OE1 GLN A 11 50.720 -3.228 -3.275 1.00 0.00 O ATOM 100 NE2 GLN A 11 52.397 -4.736 -3.147 1.00 0.00 N ATOM 0 H GLN A 11 49.929 -7.702 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 11 49.549 -6.009 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 11 49.086 -5.650 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 11 48.806 -4.329 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 11 51.470 -5.782 -5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 11 51.070 -4.223 -5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 11 52.873 -5.534 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 11 52.734 -4.347 -2.266 1.00 0.00 H new ATOM 104 N ASP A 12 46.719 -7.059 -4.064 1.00 0.00 N ATOM 105 CA ASP A 12 45.291 -7.033 -3.831 1.00 0.00 C ATOM 106 C ASP A 12 44.926 -7.027 -2.370 1.00 0.00 C ATOM 107 O ASP A 12 43.940 -6.390 -1.997 1.00 0.00 O ATOM 108 CB ASP A 12 44.548 -8.225 -4.475 1.00 0.00 C ATOM 109 CG ASP A 12 44.439 -8.091 -5.997 1.00 0.00 C ATOM 110 OD1 ASP A 12 44.694 -6.996 -6.569 1.00 0.00 O ATOM 111 OD2 ASP A 12 44.084 -9.126 -6.619 1.00 0.00 O ATOM 0 H ASP A 12 47.027 -7.855 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 12 44.978 -6.099 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 12 45.070 -9.150 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 12 43.548 -8.301 -4.047 1.00 0.00 H new ATOM 113 N LEU A 13 45.740 -7.696 -1.515 1.00 0.00 N ATOM 114 CA LEU A 13 45.497 -7.771 -0.095 1.00 0.00 C ATOM 115 C LEU A 13 45.580 -6.416 0.559 1.00 0.00 C ATOM 116 O LEU A 13 44.749 -6.098 1.411 1.00 0.00 O ATOM 117 CB LEU A 13 46.486 -8.702 0.636 1.00 0.00 C ATOM 118 CG LEU A 13 46.319 -10.202 0.318 1.00 0.00 C ATOM 119 CD1 LEU A 13 47.462 -11.017 0.940 1.00 0.00 C ATOM 120 CD2 LEU A 13 44.929 -10.732 0.712 1.00 0.00 C ATOM 0 H LEU A 13 46.579 -8.192 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 13 44.489 -8.176 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 13 47.502 -8.402 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 13 46.372 -8.558 1.710 1.00 0.00 H new ATOM 0 HG LEU A 13 46.382 -10.323 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 13 47.326 -12.073 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 13 48.415 -10.675 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 13 47.458 -10.883 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 13 44.861 -11.792 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 13 44.778 -10.596 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 13 44.162 -10.184 0.165 1.00 0.00 H new ATOM 122 N ARG A 14 46.568 -5.587 0.148 1.00 0.00 N ATOM 123 CA ARG A 14 46.783 -4.253 0.655 1.00 0.00 C ATOM 124 C ARG A 14 45.717 -3.329 0.134 1.00 0.00 C ATOM 125 O ARG A 14 45.216 -2.473 0.869 1.00 0.00 O ATOM 126 CB ARG A 14 48.122 -3.663 0.195 1.00 0.00 C ATOM 127 CG ARG A 14 49.359 -4.300 0.821 1.00 0.00 C ATOM 128 CD ARG A 14 50.633 -3.708 0.229 1.00 0.00 C ATOM 129 NE ARG A 14 51.818 -4.339 0.874 1.00 0.00 N ATOM 130 CZ ARG A 14 53.092 -3.976 0.522 1.00 0.00 C ATOM 131 NH1 ARG A 14 53.337 -3.027 -0.434 1.00 0.00 N ATOM 132 NH2 ARG A 14 54.149 -4.564 1.152 1.00 0.00 N ATOM 0 H ARG A 14 47.245 -5.856 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 14 46.766 -4.334 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 14 48.191 -3.760 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 14 48.128 -2.597 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 14 49.347 -4.144 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 14 49.342 -5.377 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 14 50.659 -3.876 -0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 14 50.652 -2.629 0.384 1.00 0.00 H new ATOM 0 HE ARG A 14 51.679 -5.053 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 14 52.559 -2.567 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 14 54.297 -2.780 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 14 53.986 -5.265 1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 14 55.102 -4.303 0.900 1.00 0.00 H new ATOM 139 N LYS A 15 45.318 -3.531 -1.150 1.00 0.00 N ATOM 140 CA LYS A 15 44.322 -2.727 -1.813 1.00 0.00 C ATOM 141 C LYS A 15 42.999 -2.810 -1.126 1.00 0.00 C ATOM 142 O LYS A 15 42.306 -1.801 -1.045 1.00 0.00 O ATOM 143 CB LYS A 15 44.126 -3.048 -3.307 1.00 0.00 C ATOM 144 CG LYS A 15 45.297 -2.599 -4.183 1.00 0.00 C ATOM 145 CD LYS A 15 45.088 -2.878 -5.671 1.00 0.00 C ATOM 146 CE LYS A 15 46.258 -2.435 -6.551 1.00 0.00 C ATOM 147 NZ LYS A 15 45.955 -2.721 -7.968 1.00 0.00 N ATOM 0 H LYS A 15 45.699 -4.272 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 15 44.719 -1.714 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 15 43.985 -4.122 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 15 43.213 -2.566 -3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 15 45.458 -1.530 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 15 46.204 -3.105 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 15 44.924 -3.946 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 15 44.183 -2.370 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 15 46.442 -1.369 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 15 47.168 -2.956 -6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 46.753 -2.418 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 45.800 -3.742 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 45.098 -2.205 -8.251 1.00 0.00 H new ATOM 152 N ARG A 16 42.645 -3.990 -0.572 1.00 0.00 N ATOM 153 CA ARG A 16 41.403 -4.166 0.136 1.00 0.00 C ATOM 154 C ARG A 16 41.336 -3.349 1.398 1.00 0.00 C ATOM 155 O ARG A 16 40.242 -2.955 1.812 1.00 0.00 O ATOM 156 CB ARG A 16 41.084 -5.635 0.440 1.00 0.00 C ATOM 157 CG ARG A 16 40.716 -6.365 -0.848 1.00 0.00 C ATOM 158 CD ARG A 16 40.280 -7.817 -0.684 1.00 0.00 C ATOM 159 NE ARG A 16 39.895 -8.303 -2.045 1.00 0.00 N ATOM 160 CZ ARG A 16 38.654 -8.069 -2.582 1.00 0.00 C ATOM 161 NH1 ARG A 16 37.666 -7.435 -1.879 1.00 0.00 N ATOM 162 NH2 ARG A 16 38.400 -8.483 -3.857 1.00 0.00 N ATOM 0 H ARG A 16 43.223 -4.829 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 16 40.638 -3.799 -0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 16 41.945 -6.114 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 16 40.261 -5.697 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 16 39.911 -5.816 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 16 41.575 -6.336 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.089 -8.420 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 16 39.440 -7.894 0.007 1.00 0.00 H new ATOM 0 HE ARG A 16 40.578 -8.826 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 16 37.841 -7.120 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 16 36.755 -7.277 -2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 16 39.126 -8.957 -4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 16 37.484 -8.318 -4.274 1.00 0.00 H new ATOM 169 N ILE A 17 42.503 -3.074 2.032 1.00 0.00 N ATOM 170 CA ILE A 17 42.598 -2.302 3.246 1.00 0.00 C ATOM 171 C ILE A 17 42.381 -0.854 2.842 1.00 0.00 C ATOM 172 O ILE A 17 41.551 -0.161 3.430 1.00 0.00 O ATOM 173 CB ILE A 17 43.985 -2.457 3.850 1.00 0.00 C ATOM 174 CG1 ILE A 17 44.209 -3.920 4.290 1.00 0.00 C ATOM 175 CG2 ILE A 17 44.142 -1.491 5.049 1.00 0.00 C ATOM 176 CD1 ILE A 17 45.666 -4.248 4.614 1.00 0.00 C ATOM 0 H ILE A 17 43.407 -3.399 1.689 1.00 0.00 H new ATOM 0 HA ILE A 17 41.867 -2.630 3.985 1.00 0.00 H new ATOM 0 HB ILE A 17 44.737 -2.207 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 17 43.596 -4.124 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 17 43.863 -4.585 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 17 45.137 -1.604 5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 17 44.009 -0.464 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 17 43.391 -1.723 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 17 45.745 -5.293 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 17 46.282 -4.077 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 17 46.011 -3.609 5.427 1.00 0.00 H new ATOM 178 N VAL A 18 43.079 -0.391 1.770 1.00 0.00 N ATOM 179 CA VAL A 18 42.967 0.983 1.319 1.00 0.00 C ATOM 180 C VAL A 18 41.614 1.324 0.752 1.00 0.00 C ATOM 181 O VAL A 18 41.215 2.489 0.777 1.00 0.00 O ATOM 182 CB VAL A 18 44.104 1.479 0.461 1.00 0.00 C ATOM 183 CG1 VAL A 18 45.380 1.342 1.309 1.00 0.00 C ATOM 184 CG2 VAL A 18 44.163 0.772 -0.898 1.00 0.00 C ATOM 0 H VAL A 18 43.718 -0.963 1.218 1.00 0.00 H new ATOM 0 HA VAL A 18 43.065 1.554 2.242 1.00 0.00 H new ATOM 0 HB VAL A 18 43.968 2.524 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 46.238 1.689 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 18 45.282 1.943 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 18 45.525 0.297 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.999 1.165 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.299 -0.299 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.233 0.946 -1.439 1.00 0.00 H new ATOM 186 N ASP A 19 40.873 0.306 0.243 1.00 0.00 N ATOM 187 CA ASP A 19 39.534 0.477 -0.275 1.00 0.00 C ATOM 188 C ASP A 19 38.635 0.914 0.851 1.00 0.00 C ATOM 189 O ASP A 19 37.709 1.695 0.629 1.00 0.00 O ATOM 190 CB ASP A 19 38.911 -0.800 -0.882 1.00 0.00 C ATOM 191 CG ASP A 19 39.492 -1.148 -2.255 1.00 0.00 C ATOM 192 OD1 ASP A 19 40.176 -0.306 -2.897 1.00 0.00 O ATOM 193 OD2 ASP A 19 39.245 -2.305 -2.684 1.00 0.00 O ATOM 0 H ASP A 19 41.211 -0.655 0.190 1.00 0.00 H new ATOM 0 HA ASP A 19 39.617 1.212 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 19 39.072 -1.636 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.833 -0.666 -0.972 1.00 0.00 H new ATOM 195 N LEU A 20 38.917 0.437 2.094 1.00 0.00 N ATOM 196 CA LEU A 20 38.170 0.773 3.281 1.00 0.00 C ATOM 197 C LEU A 20 38.421 2.222 3.609 1.00 0.00 C ATOM 198 O LEU A 20 37.490 2.928 3.996 1.00 0.00 O ATOM 199 CB LEU A 20 38.612 -0.042 4.517 1.00 0.00 C ATOM 200 CG LEU A 20 38.293 -1.550 4.481 1.00 0.00 C ATOM 201 CD1 LEU A 20 38.987 -2.270 5.648 1.00 0.00 C ATOM 202 CD2 LEU A 20 36.779 -1.822 4.442 1.00 0.00 C ATOM 0 H LEU A 20 39.691 -0.203 2.275 1.00 0.00 H new ATOM 0 HA LEU A 20 37.123 0.556 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.688 0.079 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.139 0.388 5.400 1.00 0.00 H new ATOM 0 HG LEU A 20 38.692 -1.958 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 20 38.753 -3.334 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.066 -2.133 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.635 -1.855 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 20 36.603 -2.897 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.310 -1.398 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 20 36.350 -1.364 3.551 1.00 0.00 H new ATOM 204 N TYR A 21 39.681 2.699 3.405 1.00 0.00 N ATOM 205 CA TYR A 21 40.091 4.059 3.680 1.00 0.00 C ATOM 206 C TYR A 21 39.314 5.008 2.792 1.00 0.00 C ATOM 207 O TYR A 21 38.843 6.043 3.268 1.00 0.00 O ATOM 208 CB TYR A 21 41.622 4.258 3.443 1.00 0.00 C ATOM 209 CG TYR A 21 42.067 5.637 3.819 1.00 0.00 C ATOM 210 CD1 TYR A 21 42.284 5.930 5.167 1.00 0.00 C ATOM 211 CD2 TYR A 21 42.282 6.641 2.863 1.00 0.00 C ATOM 212 CE1 TYR A 21 42.688 7.204 5.569 1.00 0.00 C ATOM 213 CE2 TYR A 21 42.685 7.918 3.262 1.00 0.00 C ATOM 214 CZ TYR A 21 42.882 8.201 4.618 1.00 0.00 C ATOM 215 OH TYR A 21 43.286 9.483 5.042 1.00 0.00 O ATOM 0 H TYR A 21 40.435 2.119 3.038 1.00 0.00 H new ATOM 0 HA TYR A 21 39.883 4.269 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 21 42.179 3.525 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 21 41.855 4.074 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 21 42.137 5.159 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 21 42.135 6.426 1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 21 42.850 7.415 6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 21 42.845 8.688 2.522 1.00 0.00 H new ATOM 0 HH TYR A 21 43.821 9.404 5.859 1.00 0.00 H new ATOM 218 N LYS A 22 39.141 4.641 1.501 1.00 0.00 N ATOM 219 CA LYS A 22 38.434 5.429 0.522 1.00 0.00 C ATOM 220 C LYS A 22 36.957 5.475 0.845 1.00 0.00 C ATOM 221 O LYS A 22 36.326 6.523 0.688 1.00 0.00 O ATOM 222 CB LYS A 22 38.674 4.888 -0.909 1.00 0.00 C ATOM 223 CG LYS A 22 38.079 5.739 -2.036 1.00 0.00 C ATOM 224 CD LYS A 22 38.435 5.267 -3.445 1.00 0.00 C ATOM 225 CE LYS A 22 37.801 6.142 -4.528 1.00 0.00 C ATOM 226 NZ LYS A 22 38.154 5.648 -5.874 1.00 0.00 N ATOM 0 H LYS A 22 39.505 3.766 1.125 1.00 0.00 H new ATOM 0 HA LYS A 22 38.823 6.446 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 22 39.748 4.799 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 22 38.257 3.883 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 22 36.994 5.747 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 22 38.419 6.768 -1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 22 39.518 5.273 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.105 4.236 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 22 36.717 6.147 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 22 38.139 7.172 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 37.713 6.256 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 39.187 5.666 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 37.810 4.673 -5.987 1.00 0.00 H new ATOM 231 N SER A 23 36.390 4.346 1.339 1.00 0.00 N ATOM 232 CA SER A 23 34.995 4.242 1.698 1.00 0.00 C ATOM 233 C SER A 23 34.674 5.055 2.929 1.00 0.00 C ATOM 234 O SER A 23 33.557 5.560 3.051 1.00 0.00 O ATOM 235 CB SER A 23 34.578 2.785 1.964 1.00 0.00 C ATOM 236 OG SER A 23 34.694 2.025 0.769 1.00 0.00 O ATOM 0 H SER A 23 36.914 3.484 1.493 1.00 0.00 H new ATOM 0 HA SER A 23 34.439 4.630 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 23 35.207 2.354 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 23 33.551 2.752 2.329 1.00 0.00 H new ATOM 0 HG SER A 23 35.639 1.839 0.590 1.00 0.00 H new ATOM 239 N GLY A 24 35.653 5.227 3.846 1.00 0.00 N ATOM 240 CA GLY A 24 35.460 5.991 5.047 1.00 0.00 C ATOM 241 C GLY A 24 36.337 5.380 6.073 1.00 0.00 C ATOM 242 O GLY A 24 36.073 4.278 6.562 1.00 0.00 O ATOM 0 H GLY A 24 36.588 4.831 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 35.719 7.038 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 24 34.417 5.965 5.361 1.00 0.00 H new ATOM 244 N SER A 25 37.396 6.132 6.434 1.00 0.00 N ATOM 245 CA SER A 25 38.349 5.677 7.394 1.00 0.00 C ATOM 246 C SER A 25 37.785 5.869 8.763 1.00 0.00 C ATOM 247 O SER A 25 37.540 6.991 9.215 1.00 0.00 O ATOM 248 CB SER A 25 39.670 6.464 7.337 1.00 0.00 C ATOM 249 OG SER A 25 40.599 6.029 8.324 1.00 0.00 O ATOM 0 H SER A 25 37.590 7.060 6.057 1.00 0.00 H new ATOM 0 HA SER A 25 38.553 4.630 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 25 40.115 6.353 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 25 39.465 7.525 7.477 1.00 0.00 H new ATOM 0 HG SER A 25 41.423 6.554 8.251 1.00 0.00 H new ATOM 252 N SER A 26 37.553 4.732 9.437 1.00 0.00 N ATOM 253 CA SER A 26 37.082 4.727 10.788 1.00 0.00 C ATOM 254 C SER A 26 38.373 4.365 11.445 1.00 0.00 C ATOM 255 O SER A 26 38.885 3.263 11.231 1.00 0.00 O ATOM 256 CB SER A 26 36.033 3.640 11.076 1.00 0.00 C ATOM 257 OG SER A 26 34.868 3.851 10.291 1.00 0.00 O ATOM 0 H SER A 26 37.693 3.802 9.041 1.00 0.00 H new ATOM 0 HA SER A 26 36.584 5.647 11.096 1.00 0.00 H new ATOM 0 HB2 SER A 26 36.451 2.657 10.860 1.00 0.00 H new ATOM 0 HB3 SER A 26 35.772 3.650 12.134 1.00 0.00 H new ATOM 0 HG SER A 26 34.211 3.150 10.485 1.00 0.00 H new ATOM 260 N LEU A 27 38.926 5.276 12.270 1.00 0.00 N ATOM 261 CA LEU A 27 40.199 5.034 12.903 1.00 0.00 C ATOM 262 C LEU A 27 40.158 3.932 13.907 1.00 0.00 C ATOM 263 O LEU A 27 41.108 3.152 13.987 1.00 0.00 O ATOM 264 CB LEU A 27 40.800 6.290 13.556 1.00 0.00 C ATOM 265 CG LEU A 27 41.266 7.356 12.542 1.00 0.00 C ATOM 266 CD1 LEU A 27 41.681 8.644 13.262 1.00 0.00 C ATOM 267 CD2 LEU A 27 42.360 6.825 11.595 1.00 0.00 C ATOM 0 H LEU A 27 38.500 6.174 12.500 1.00 0.00 H new ATOM 0 HA LEU A 27 40.847 4.728 12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.058 6.733 14.220 1.00 0.00 H new ATOM 0 HB3 LEU A 27 41.647 5.996 14.176 1.00 0.00 H new ATOM 0 HG LEU A 27 40.418 7.600 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 27 42.006 9.382 12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 40.832 9.038 13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 27 42.500 8.429 13.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.654 7.612 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 27 43.226 6.513 12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 41.974 5.973 11.035 1.00 0.00 H new ATOM 269 N GLY A 28 39.029 3.810 14.644 1.00 0.00 N ATOM 270 CA GLY A 28 38.866 2.785 15.638 1.00 0.00 C ATOM 271 C GLY A 28 38.773 1.426 15.010 1.00 0.00 C ATOM 272 O GLY A 28 39.330 0.472 15.551 1.00 0.00 O ATOM 0 H GLY A 28 38.223 4.428 14.548 1.00 0.00 H new ATOM 0 HA2 GLY A 28 39.707 2.811 16.331 1.00 0.00 H new ATOM 0 HA3 GLY A 28 37.966 2.981 16.221 1.00 0.00 H new ATOM 274 N ALA A 29 38.083 1.320 13.846 1.00 0.00 N ATOM 275 CA ALA A 29 37.926 0.061 13.166 1.00 0.00 C ATOM 276 C ALA A 29 39.171 -0.374 12.451 1.00 0.00 C ATOM 277 O ALA A 29 39.543 -1.543 12.539 1.00 0.00 O ATOM 278 CB ALA A 29 36.786 0.065 12.133 1.00 0.00 C ATOM 0 H ALA A 29 37.635 2.108 13.378 1.00 0.00 H new ATOM 0 HA ALA A 29 37.691 -0.637 13.969 1.00 0.00 H new ATOM 0 HB1 ALA A 29 36.722 -0.914 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 29 35.843 0.288 12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 29 36.984 0.824 11.376 1.00 0.00 H new ATOM 280 N ILE A 30 39.864 0.574 11.774 1.00 0.00 N ATOM 281 CA ILE A 30 41.061 0.294 11.016 1.00 0.00 C ATOM 282 C ILE A 30 42.218 -0.072 11.906 1.00 0.00 C ATOM 283 O ILE A 30 42.955 -1.000 11.565 1.00 0.00 O ATOM 284 CB ILE A 30 41.371 1.389 9.989 1.00 0.00 C ATOM 285 CG1 ILE A 30 40.276 1.343 8.898 1.00 0.00 C ATOM 286 CG2 ILE A 30 42.783 1.274 9.377 1.00 0.00 C ATOM 287 CD1 ILE A 30 40.285 2.520 7.925 1.00 0.00 C ATOM 0 H ILE A 30 39.588 1.556 11.752 1.00 0.00 H new ATOM 0 HA ILE A 30 40.870 -0.597 10.418 1.00 0.00 H new ATOM 0 HB ILE A 30 41.366 2.353 10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 40.389 0.420 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 30 39.301 1.300 9.384 1.00 0.00 H new ATOM 0 HG21 ILE A 30 42.935 2.080 8.659 1.00 0.00 H new ATOM 0 HG22 ILE A 30 43.529 1.347 10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 30 42.883 0.314 8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.482 2.398 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 30 40.138 3.449 8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 30 41.242 2.555 7.405 1.00 0.00 H new ATOM 289 N SER A 31 42.373 0.594 13.076 1.00 0.00 N ATOM 290 CA SER A 31 43.456 0.294 13.984 1.00 0.00 C ATOM 291 C SER A 31 43.332 -1.090 14.554 1.00 0.00 C ATOM 292 O SER A 31 44.342 -1.774 14.698 1.00 0.00 O ATOM 293 CB SER A 31 43.592 1.289 15.151 1.00 0.00 C ATOM 294 OG SER A 31 43.980 2.567 14.666 1.00 0.00 O ATOM 0 H SER A 31 41.752 1.338 13.394 1.00 0.00 H new ATOM 0 HA SER A 31 44.353 0.375 13.370 1.00 0.00 H new ATOM 0 HB2 SER A 31 42.644 1.367 15.684 1.00 0.00 H new ATOM 0 HB3 SER A 31 44.330 0.924 15.865 1.00 0.00 H new ATOM 0 HG SER A 31 43.188 3.054 14.356 1.00 0.00 H new ATOM 297 N LYS A 32 42.096 -1.543 14.864 1.00 0.00 N ATOM 298 CA LYS A 32 41.866 -2.862 15.404 1.00 0.00 C ATOM 299 C LYS A 32 42.110 -3.938 14.379 1.00 0.00 C ATOM 300 O LYS A 32 42.633 -4.998 14.727 1.00 0.00 O ATOM 301 CB LYS A 32 40.456 -3.009 15.996 1.00 0.00 C ATOM 302 CG LYS A 32 40.316 -2.201 17.287 1.00 0.00 C ATOM 303 CD LYS A 32 38.942 -2.261 17.945 1.00 0.00 C ATOM 304 CE LYS A 32 38.856 -1.390 19.197 1.00 0.00 C ATOM 305 NZ LYS A 32 37.496 -1.442 19.761 1.00 0.00 N ATOM 0 H LYS A 32 41.247 -0.992 14.740 1.00 0.00 H new ATOM 0 HA LYS A 32 42.586 -2.987 16.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.716 -2.672 15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.250 -4.060 16.197 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.059 -2.556 18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 32 40.553 -1.159 17.072 1.00 0.00 H new ATOM 0 HD2 LYS A 32 38.185 -1.939 17.229 1.00 0.00 H new ATOM 0 HD3 LYS A 32 38.713 -3.294 18.208 1.00 0.00 H new ATOM 0 HE2 LYS A 32 39.578 -1.733 19.938 1.00 0.00 H new ATOM 0 HE3 LYS A 32 39.116 -0.361 18.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 37.450 -0.846 20.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 36.815 -1.093 19.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 37.262 -2.424 20.013 1.00 0.00 H new ATOM 310 N ARG A 33 41.742 -3.680 13.100 1.00 0.00 N ATOM 311 CA ARG A 33 41.923 -4.624 12.022 1.00 0.00 C ATOM 312 C ARG A 33 43.370 -4.803 11.638 1.00 0.00 C ATOM 313 O ARG A 33 43.829 -5.935 11.480 1.00 0.00 O ATOM 314 CB ARG A 33 41.156 -4.206 10.747 1.00 0.00 C ATOM 315 CG ARG A 33 39.636 -4.364 10.838 1.00 0.00 C ATOM 316 CD ARG A 33 38.879 -3.808 9.628 1.00 0.00 C ATOM 317 NE ARG A 33 37.435 -4.130 9.832 1.00 0.00 N ATOM 318 CZ ARG A 33 36.446 -3.655 9.012 1.00 0.00 C ATOM 319 NH1 ARG A 33 36.689 -2.742 8.024 1.00 0.00 N ATOM 320 NH2 ARG A 33 35.172 -4.109 9.192 1.00 0.00 N ATOM 0 H ARG A 33 41.312 -2.802 12.809 1.00 0.00 H new ATOM 0 HA ARG A 33 41.529 -5.563 12.411 1.00 0.00 H new ATOM 0 HB2 ARG A 33 41.387 -3.164 10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 41.520 -4.799 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 33 39.397 -5.422 10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 33 39.282 -3.861 11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.026 -2.731 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 33 39.247 -4.254 8.704 1.00 0.00 H new ATOM 0 HE ARG A 33 37.174 -4.729 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 33 37.635 -2.390 7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 33 35.925 -2.413 7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 33 34.972 -4.789 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 33 34.420 -3.769 8.593 1.00 0.00 H new ATOM 327 N LEU A 34 44.114 -3.683 11.484 1.00 0.00 N ATOM 328 CA LEU A 34 45.504 -3.694 11.100 1.00 0.00 C ATOM 329 C LEU A 34 46.490 -3.967 12.183 1.00 0.00 C ATOM 330 O LEU A 34 47.451 -4.704 11.958 1.00 0.00 O ATOM 331 CB LEU A 34 45.961 -2.384 10.427 1.00 0.00 C ATOM 332 CG LEU A 34 45.335 -2.133 9.047 1.00 0.00 C ATOM 333 CD1 LEU A 34 45.716 -0.751 8.503 1.00 0.00 C ATOM 334 CD2 LEU A 34 45.722 -3.252 8.073 1.00 0.00 C ATOM 0 H LEU A 34 43.741 -2.745 11.630 1.00 0.00 H new ATOM 0 HA LEU A 34 45.511 -4.534 10.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 45.716 -1.548 11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 34 47.046 -2.401 10.324 1.00 0.00 H new ATOM 0 HG LEU A 34 44.251 -2.143 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 34 45.257 -0.606 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 34 45.363 0.020 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 34 46.800 -0.683 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 34 45.271 -3.059 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 34 46.807 -3.286 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 34 45.364 -4.208 8.456 1.00 0.00 H new ATOM 336 N ALA A 35 46.263 -3.361 13.374 1.00 0.00 N ATOM 337 CA ALA A 35 47.082 -3.417 14.562 1.00 0.00 C ATOM 338 C ALA A 35 48.272 -2.529 14.324 1.00 0.00 C ATOM 339 O ALA A 35 48.385 -1.481 14.963 1.00 0.00 O ATOM 340 CB ALA A 35 47.514 -4.828 15.035 1.00 0.00 C ATOM 0 H ALA A 35 45.435 -2.783 13.517 1.00 0.00 H new ATOM 0 HA ALA A 35 46.465 -3.072 15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 35 48.124 -4.739 15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 35 46.629 -5.425 15.254 1.00 0.00 H new ATOM 0 HB3 ALA A 35 48.094 -5.313 14.250 1.00 0.00 H new ATOM 342 N VAL A 36 49.174 -2.919 13.387 1.00 0.00 N ATOM 343 CA VAL A 36 50.336 -2.140 13.044 1.00 0.00 C ATOM 344 C VAL A 36 50.264 -2.015 11.528 1.00 0.00 C ATOM 345 O VAL A 36 50.557 -2.996 10.837 1.00 0.00 O ATOM 346 CB VAL A 36 51.668 -2.777 13.451 1.00 0.00 C ATOM 347 CG1 VAL A 36 52.831 -1.847 13.055 1.00 0.00 C ATOM 348 CG2 VAL A 36 51.682 -3.107 14.956 1.00 0.00 C ATOM 0 H VAL A 36 49.093 -3.789 12.861 1.00 0.00 H new ATOM 0 HA VAL A 36 50.319 -1.190 13.578 1.00 0.00 H new ATOM 0 HB VAL A 36 51.792 -3.720 12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 36 53.777 -2.303 13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 36 52.820 -1.690 11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 36 52.719 -0.889 13.562 1.00 0.00 H new ATOM 0 HG21 VAL A 36 52.638 -3.558 15.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 51.542 -2.191 15.531 1.00 0.00 H new ATOM 0 HG23 VAL A 36 50.876 -3.805 15.183 1.00 0.00 H new ATOM 350 N PRO A 37 49.847 -0.873 10.970 1.00 0.00 N ATOM 351 CA PRO A 37 49.749 -0.658 9.537 1.00 0.00 C ATOM 352 C PRO A 37 51.063 -0.659 8.815 1.00 0.00 C ATOM 353 O PRO A 37 51.091 -1.088 7.660 1.00 0.00 O ATOM 354 CB PRO A 37 49.008 0.669 9.362 1.00 0.00 C ATOM 355 CG PRO A 37 49.213 1.411 10.694 1.00 0.00 C ATOM 356 CD PRO A 37 49.387 0.288 11.728 1.00 0.00 C ATOM 0 HA PRO A 37 49.215 -1.493 9.083 1.00 0.00 H new ATOM 0 HB2 PRO A 37 49.411 1.240 8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 37 47.950 0.507 9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 37 50.089 2.059 10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 37 48.358 2.044 10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 37 50.110 0.568 12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 37 48.448 0.076 12.239 1.00 0.00 H new ATOM 357 N ARG A 38 52.147 -0.185 9.476 1.00 0.00 N ATOM 358 CA ARG A 38 53.476 -0.050 8.930 1.00 0.00 C ATOM 359 C ARG A 38 53.553 0.958 7.812 1.00 0.00 C ATOM 360 O ARG A 38 52.549 1.508 7.349 1.00 0.00 O ATOM 361 CB ARG A 38 54.117 -1.408 8.535 1.00 0.00 C ATOM 362 CG ARG A 38 54.345 -2.267 9.777 1.00 0.00 C ATOM 363 CD ARG A 38 54.872 -3.680 9.568 1.00 0.00 C ATOM 364 NE ARG A 38 54.915 -4.273 10.939 1.00 0.00 N ATOM 365 CZ ARG A 38 55.159 -5.599 11.171 1.00 0.00 C ATOM 366 NH1 ARG A 38 55.388 -6.491 10.160 1.00 0.00 N ATOM 367 NH2 ARG A 38 55.157 -6.040 12.462 1.00 0.00 N ATOM 0 H ARG A 38 52.092 0.122 10.447 1.00 0.00 H new ATOM 0 HA ARG A 38 54.080 0.346 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 38 53.468 -1.934 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 38 55.065 -1.236 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 38 55.044 -1.740 10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 38 53.400 -2.337 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 38 54.220 -4.253 8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 38 55.861 -3.671 9.109 1.00 0.00 H new ATOM 0 HE ARG A 38 54.755 -3.661 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 38 55.381 -6.175 9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 38 55.566 -7.472 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 38 54.977 -5.386 13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 38 55.336 -7.023 12.665 1.00 0.00 H new ATOM 374 N SER A 39 54.797 1.205 7.350 1.00 0.00 N ATOM 375 CA SER A 39 55.107 2.151 6.315 1.00 0.00 C ATOM 376 C SER A 39 54.511 1.780 4.991 1.00 0.00 C ATOM 377 O SER A 39 54.065 2.671 4.268 1.00 0.00 O ATOM 378 CB SER A 39 56.624 2.311 6.118 1.00 0.00 C ATOM 379 OG SER A 39 57.209 2.880 7.282 1.00 0.00 O ATOM 0 H SER A 39 55.621 0.726 7.713 1.00 0.00 H new ATOM 0 HA SER A 39 54.671 3.090 6.655 1.00 0.00 H new ATOM 0 HB2 SER A 39 57.076 1.341 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 39 56.822 2.946 5.254 1.00 0.00 H new ATOM 0 HG SER A 39 58.175 2.977 7.149 1.00 0.00 H new ATOM 382 N SER A 40 54.437 0.466 4.674 1.00 0.00 N ATOM 383 CA SER A 40 53.923 -0.005 3.415 1.00 0.00 C ATOM 384 C SER A 40 52.471 0.325 3.203 1.00 0.00 C ATOM 385 O SER A 40 52.128 0.895 2.163 1.00 0.00 O ATOM 386 CB SER A 40 54.102 -1.526 3.264 1.00 0.00 C ATOM 387 OG SER A 40 55.484 -1.851 3.198 1.00 0.00 O ATOM 0 H SER A 40 54.739 -0.280 5.301 1.00 0.00 H new ATOM 0 HA SER A 40 54.508 0.520 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 40 53.639 -2.040 4.107 1.00 0.00 H new ATOM 0 HB3 SER A 40 53.596 -1.872 2.363 1.00 0.00 H new ATOM 0 HG SER A 40 55.588 -2.821 3.104 1.00 0.00 H new ATOM 390 N VAL A 41 51.602 0.045 4.209 1.00 0.00 N ATOM 391 CA VAL A 41 50.191 0.326 4.084 1.00 0.00 C ATOM 392 C VAL A 41 50.000 1.818 4.147 1.00 0.00 C ATOM 393 O VAL A 41 49.240 2.347 3.340 1.00 0.00 O ATOM 394 CB VAL A 41 49.329 -0.425 5.095 1.00 0.00 C ATOM 395 CG1 VAL A 41 47.852 0.023 5.062 1.00 0.00 C ATOM 396 CG2 VAL A 41 49.463 -1.932 4.799 1.00 0.00 C ATOM 0 H VAL A 41 51.874 -0.372 5.100 1.00 0.00 H new ATOM 0 HA VAL A 41 49.843 -0.045 3.120 1.00 0.00 H new ATOM 0 HB VAL A 41 49.680 -0.200 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 41 47.284 -0.543 5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 41 47.789 1.086 5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 47.439 -0.158 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 41 48.857 -2.497 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 41 49.120 -2.135 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.507 -2.230 4.896 1.00 0.00 H new ATOM 398 N GLN A 42 50.766 2.529 5.015 1.00 0.00 N ATOM 399 CA GLN A 42 50.655 3.960 5.178 1.00 0.00 C ATOM 400 C GLN A 42 50.941 4.711 3.896 1.00 0.00 C ATOM 401 O GLN A 42 50.281 5.716 3.628 1.00 0.00 O ATOM 402 CB GLN A 42 51.554 4.495 6.321 1.00 0.00 C ATOM 403 CG GLN A 42 51.371 5.979 6.682 1.00 0.00 C ATOM 404 CD GLN A 42 49.959 6.230 7.216 1.00 0.00 C ATOM 405 OE1 GLN A 42 49.476 5.581 8.143 1.00 0.00 O ATOM 406 NE2 GLN A 42 49.254 7.201 6.578 1.00 0.00 N ATOM 0 H GLN A 42 51.474 2.102 5.613 1.00 0.00 H new ATOM 0 HA GLN A 42 49.616 4.143 5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 42 51.367 3.898 7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 42 52.596 4.335 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 42 52.107 6.271 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 42 51.549 6.598 5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 42 49.682 7.722 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 42 48.297 7.408 6.865 1.00 0.00 H new ATOM 410 N THR A 43 51.895 4.226 3.064 1.00 0.00 N ATOM 411 CA THR A 43 52.235 4.863 1.812 1.00 0.00 C ATOM 412 C THR A 43 51.080 4.755 0.837 1.00 0.00 C ATOM 413 O THR A 43 50.773 5.729 0.145 1.00 0.00 O ATOM 414 CB THR A 43 53.511 4.296 1.205 1.00 0.00 C ATOM 415 OG1 THR A 43 54.593 4.520 2.098 1.00 0.00 O ATOM 416 CG2 THR A 43 53.857 4.990 -0.129 1.00 0.00 C ATOM 0 H THR A 43 52.436 3.384 3.260 1.00 0.00 H new ATOM 0 HA THR A 43 52.425 5.916 2.021 1.00 0.00 H new ATOM 0 HB THR A 43 53.351 3.232 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 43 54.510 3.921 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 43 54.773 4.561 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 43 53.042 4.843 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 43 54.000 6.057 0.042 1.00 0.00 H new ATOM 419 N ILE A 44 50.382 3.589 0.804 1.00 0.00 N ATOM 420 CA ILE A 44 49.280 3.384 -0.110 1.00 0.00 C ATOM 421 C ILE A 44 48.095 4.228 0.357 1.00 0.00 C ATOM 422 O ILE A 44 47.391 4.816 -0.468 1.00 0.00 O ATOM 423 CB ILE A 44 48.963 1.913 -0.290 1.00 0.00 C ATOM 424 CG1 ILE A 44 50.174 1.242 -0.970 1.00 0.00 C ATOM 425 CG2 ILE A 44 47.778 1.764 -1.268 1.00 0.00 C ATOM 426 CD1 ILE A 44 50.127 -0.283 -0.978 1.00 0.00 C ATOM 0 H ILE A 44 50.580 2.791 1.408 1.00 0.00 H new ATOM 0 HA ILE A 44 49.552 3.722 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 44 48.733 1.468 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 44 50.240 1.597 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 44 51.084 1.563 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.546 0.707 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.906 2.279 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 44 48.044 2.201 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.016 -0.672 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.094 -0.651 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.237 -0.617 -1.512 1.00 0.00 H new ATOM 428 N VAL A 45 47.899 4.352 1.699 1.00 0.00 N ATOM 429 CA VAL A 45 46.847 5.138 2.325 1.00 0.00 C ATOM 430 C VAL A 45 47.031 6.585 1.930 1.00 0.00 C ATOM 431 O VAL A 45 46.044 7.251 1.612 1.00 0.00 O ATOM 432 CB VAL A 45 46.876 5.007 3.850 1.00 0.00 C ATOM 433 CG1 VAL A 45 45.945 6.002 4.561 1.00 0.00 C ATOM 434 CG2 VAL A 45 46.431 3.583 4.210 1.00 0.00 C ATOM 0 H VAL A 45 48.499 3.885 2.379 1.00 0.00 H new ATOM 0 HA VAL A 45 45.880 4.767 1.984 1.00 0.00 H new ATOM 0 HB VAL A 45 47.891 5.223 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.013 5.857 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 45 46.243 7.021 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 45 44.918 5.835 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 45 46.442 3.461 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 45 45.422 3.412 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 45 47.113 2.863 3.757 1.00 0.00 H new ATOM 436 N ARG A 46 48.299 7.071 1.891 1.00 0.00 N ATOM 437 CA ARG A 46 48.617 8.429 1.520 1.00 0.00 C ATOM 438 C ARG A 46 48.240 8.729 0.100 1.00 0.00 C ATOM 439 O ARG A 46 47.765 9.833 -0.174 1.00 0.00 O ATOM 440 CB ARG A 46 50.095 8.822 1.707 1.00 0.00 C ATOM 441 CG ARG A 46 50.502 9.087 3.159 1.00 0.00 C ATOM 442 CD ARG A 46 51.871 9.771 3.279 1.00 0.00 C ATOM 443 NE ARG A 46 52.951 8.791 2.936 1.00 0.00 N ATOM 444 CZ ARG A 46 53.553 8.025 3.903 1.00 0.00 C ATOM 445 NH1 ARG A 46 53.302 8.231 5.230 1.00 0.00 N ATOM 446 NH2 ARG A 46 54.436 7.049 3.544 1.00 0.00 N ATOM 0 H ARG A 46 49.118 6.508 2.122 1.00 0.00 H new ATOM 0 HA ARG A 46 48.022 9.022 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 46 50.723 8.026 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 46 50.298 9.716 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 46 49.746 9.712 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 46 50.524 8.143 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 46 51.920 10.631 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 46 52.014 10.146 4.292 1.00 0.00 H new ATOM 0 HE ARG A 46 53.245 8.691 1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 46 52.656 8.966 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 46 53.760 7.650 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 46 54.648 6.890 2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 46 54.885 6.478 4.261 1.00 0.00 H new ATOM 453 N LYS A 47 48.404 7.740 -0.816 1.00 0.00 N ATOM 454 CA LYS A 47 48.065 7.907 -2.214 1.00 0.00 C ATOM 455 C LYS A 47 46.582 8.135 -2.336 1.00 0.00 C ATOM 456 O LYS A 47 46.153 9.047 -3.046 1.00 0.00 O ATOM 457 CB LYS A 47 48.340 6.657 -3.064 1.00 0.00 C ATOM 458 CG LYS A 47 49.799 6.289 -3.301 1.00 0.00 C ATOM 459 CD LYS A 47 49.891 5.031 -4.164 1.00 0.00 C ATOM 460 CE LYS A 47 51.305 4.536 -4.453 1.00 0.00 C ATOM 461 NZ LYS A 47 51.228 3.321 -5.291 1.00 0.00 N ATOM 0 H LYS A 47 48.774 6.818 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 47 48.676 8.737 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 47 47.850 5.808 -2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 47 47.864 6.796 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 47 50.315 7.114 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.299 6.122 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 47 49.338 4.231 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 47 49.391 5.225 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 47 51.878 5.310 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 47 51.825 4.318 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 52.188 2.977 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 50.695 2.584 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 50.746 3.546 -6.185 1.00 0.00 H new ATOM 466 N TYR A 48 45.779 7.332 -1.596 1.00 0.00 N ATOM 467 CA TYR A 48 44.339 7.425 -1.598 1.00 0.00 C ATOM 468 C TYR A 48 43.823 8.682 -0.968 1.00 0.00 C ATOM 469 O TYR A 48 42.853 9.247 -1.467 1.00 0.00 O ATOM 470 CB TYR A 48 43.669 6.171 -0.999 1.00 0.00 C ATOM 471 CG TYR A 48 43.675 5.161 -2.102 1.00 0.00 C ATOM 472 CD1 TYR A 48 44.756 4.292 -2.290 1.00 0.00 C ATOM 473 CD2 TYR A 48 42.570 5.061 -2.959 1.00 0.00 C ATOM 474 CE1 TYR A 48 44.747 3.356 -3.328 1.00 0.00 C ATOM 475 CE2 TYR A 48 42.553 4.125 -3.997 1.00 0.00 C ATOM 476 CZ TYR A 48 43.645 3.274 -4.182 1.00 0.00 C ATOM 477 OH TYR A 48 43.634 2.327 -5.229 1.00 0.00 O ATOM 0 H TYR A 48 46.139 6.601 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 48 44.055 7.474 -2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 48 44.217 5.808 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 42.653 6.387 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 48 45.606 4.345 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 48 41.722 5.715 -2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 48 45.591 2.697 -3.469 1.00 0.00 H new ATOM 0 HE2 TYR A 48 41.698 4.060 -4.654 1.00 0.00 H new ATOM 0 HH TYR A 48 42.794 2.401 -5.728 1.00 0.00 H new ATOM 480 N LYS A 49 44.492 9.174 0.102 1.00 0.00 N ATOM 481 CA LYS A 49 44.136 10.379 0.820 1.00 0.00 C ATOM 482 C LYS A 49 44.270 11.569 -0.092 1.00 0.00 C ATOM 483 O LYS A 49 43.412 12.454 -0.076 1.00 0.00 O ATOM 484 CB LYS A 49 45.065 10.592 2.037 1.00 0.00 C ATOM 485 CG LYS A 49 44.766 11.798 2.934 1.00 0.00 C ATOM 486 CD LYS A 49 45.678 11.846 4.161 1.00 0.00 C ATOM 487 CE LYS A 49 45.413 13.024 5.098 1.00 0.00 C ATOM 488 NZ LYS A 49 46.326 12.944 6.255 1.00 0.00 N ATOM 0 H LYS A 49 45.318 8.714 0.486 1.00 0.00 H new ATOM 0 HA LYS A 49 43.108 10.274 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 49 45.029 9.694 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 49 46.087 10.686 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.886 12.716 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.726 11.759 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 49 45.562 10.918 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.715 11.889 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 49 45.561 13.965 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 49 44.377 13.008 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 46.147 13.745 6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 46.164 12.052 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 47.311 12.979 5.923 1.00 0.00 H new ATOM 493 N HIS A 50 45.329 11.573 -0.941 1.00 0.00 N ATOM 494 CA HIS A 50 45.601 12.634 -1.877 1.00 0.00 C ATOM 495 C HIS A 50 44.489 12.736 -2.888 1.00 0.00 C ATOM 496 O HIS A 50 44.024 13.842 -3.166 1.00 0.00 O ATOM 497 CB HIS A 50 46.944 12.402 -2.619 1.00 0.00 C ATOM 498 CG HIS A 50 47.299 13.433 -3.658 1.00 0.00 C ATOM 499 ND1 HIS A 50 47.681 14.726 -3.379 1.00 0.00 N ATOM 500 CD2 HIS A 50 47.304 13.330 -5.017 1.00 0.00 C ATOM 501 CE1 HIS A 50 47.894 15.338 -4.571 1.00 0.00 C ATOM 502 NE2 HIS A 50 47.677 14.531 -5.594 1.00 0.00 N ATOM 0 H HIS A 50 46.013 10.817 -0.976 1.00 0.00 H new ATOM 0 HA HIS A 50 45.671 13.562 -1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 50 47.745 12.365 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.909 11.424 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 50 47.052 12.435 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 50 48.205 16.367 -4.672 1.00 0.00 H new ATOM 0 HE2 HIS A 50 47.765 14.745 -6.587 1.00 0.00 H new ATOM 504 N HIS A 51 44.013 11.583 -3.412 1.00 0.00 N ATOM 505 CA HIS A 51 42.957 11.569 -4.394 1.00 0.00 C ATOM 506 C HIS A 51 41.586 11.693 -3.797 1.00 0.00 C ATOM 507 O HIS A 51 40.660 12.156 -4.463 1.00 0.00 O ATOM 508 CB HIS A 51 42.993 10.307 -5.271 1.00 0.00 C ATOM 509 CG HIS A 51 44.167 10.320 -6.203 1.00 0.00 C ATOM 510 ND1 HIS A 51 44.287 11.202 -7.256 1.00 0.00 N ATOM 511 CD2 HIS A 51 45.292 9.555 -6.228 1.00 0.00 C ATOM 512 CE1 HIS A 51 45.471 10.933 -7.858 1.00 0.00 C ATOM 513 NE2 HIS A 51 46.117 9.942 -7.271 1.00 0.00 N ATOM 0 H HIS A 51 44.359 10.658 -3.156 1.00 0.00 H new ATOM 0 HA HIS A 51 43.148 12.449 -5.008 1.00 0.00 H new ATOM 0 HB2 HIS A 51 43.041 9.422 -4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 51 42.070 10.236 -5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 51 45.511 8.758 -5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 51 45.844 11.468 -8.719 1.00 0.00 H new ATOM 0 HE2 HIS A 51 47.022 9.549 -7.529 1.00 0.00 H new ATOM 515 N GLY A 52 41.438 11.335 -2.504 1.00 0.00 N ATOM 516 CA GLY A 52 40.188 11.387 -1.796 1.00 0.00 C ATOM 517 C GLY A 52 39.821 12.779 -1.387 1.00 0.00 C ATOM 518 O GLY A 52 38.686 12.991 -0.955 1.00 0.00 O ATOM 0 H GLY A 52 42.213 10.998 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 52 39.399 10.977 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 52 40.249 10.755 -0.910 1.00 0.00 H new ATOM 520 N THR A 53 40.766 13.749 -1.497 1.00 0.00 N ATOM 521 CA THR A 53 40.501 15.109 -1.119 1.00 0.00 C ATOM 522 C THR A 53 39.578 15.732 -2.147 1.00 0.00 C ATOM 523 O THR A 53 38.468 16.122 -1.781 1.00 0.00 O ATOM 524 CB THR A 53 41.796 15.892 -0.988 1.00 0.00 C ATOM 525 OG1 THR A 53 42.612 15.295 0.012 1.00 0.00 O ATOM 526 CG2 THR A 53 41.510 17.348 -0.567 1.00 0.00 C ATOM 0 H THR A 53 41.710 13.586 -1.848 1.00 0.00 H new ATOM 0 HA THR A 53 40.013 15.132 -0.144 1.00 0.00 H new ATOM 0 HB THR A 53 42.300 15.883 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 42.836 14.378 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 53 42.450 17.892 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.882 17.827 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 53 40.995 17.355 0.394 1.00 0.00 H new ATOM 529 N THR A 54 39.991 15.818 -3.442 1.00 0.00 N ATOM 530 CA THR A 54 39.128 16.386 -4.447 1.00 0.00 C ATOM 531 C THR A 54 39.140 15.488 -5.662 1.00 0.00 C ATOM 532 O THR A 54 38.146 14.819 -5.944 1.00 0.00 O ATOM 533 CB THR A 54 39.520 17.814 -4.826 1.00 0.00 C ATOM 534 OG1 THR A 54 39.521 18.642 -3.671 1.00 0.00 O ATOM 535 CG2 THR A 54 38.507 18.399 -5.836 1.00 0.00 C ATOM 0 H THR A 54 40.899 15.502 -3.782 1.00 0.00 H new ATOM 0 HA THR A 54 38.122 16.449 -4.033 1.00 0.00 H new ATOM 0 HB THR A 54 40.515 17.785 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 54 39.775 19.554 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 54 38.799 19.416 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 54 38.493 17.784 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 54 37.513 18.410 -5.389 1.00 0.00 H new ATOM 538 N GLN A 55 40.304 15.445 -6.372 1.00 0.00 N ATOM 539 CA GLN A 55 40.587 14.696 -7.579 1.00 0.00 C ATOM 540 C GLN A 55 39.794 15.213 -8.751 1.00 0.00 C ATOM 541 O GLN A 55 40.353 15.860 -9.638 1.00 0.00 O ATOM 542 CB GLN A 55 40.426 13.149 -7.461 1.00 0.00 C ATOM 543 CG GLN A 55 40.812 12.333 -8.708 1.00 0.00 C ATOM 544 CD GLN A 55 40.559 10.850 -8.446 1.00 0.00 C ATOM 545 OE1 GLN A 55 39.425 10.393 -8.313 1.00 0.00 O ATOM 546 NE2 GLN A 55 41.658 10.055 -8.389 1.00 0.00 N ATOM 0 H GLN A 55 41.116 15.984 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 55 41.650 14.866 -7.748 1.00 0.00 H new ATOM 0 HB2 GLN A 55 41.032 12.804 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 55 39.387 12.930 -7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 55 40.230 12.666 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 55 41.862 12.496 -8.952 1.00 0.00 H new ATOM 0 HE21 GLN A 55 42.587 10.460 -8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 55 41.555 9.052 -8.233 1.00 0.00 H new ATOM 550 N HIS A 56 38.468 14.937 -8.761 1.00 0.00 N ATOM 551 CA HIS A 56 37.579 15.338 -9.817 1.00 0.00 C ATOM 552 C HIS A 56 37.213 16.784 -9.747 1.00 0.00 C ATOM 553 O HIS A 56 36.930 17.318 -8.672 1.00 0.00 O ATOM 554 CB HIS A 56 36.298 14.485 -9.886 1.00 0.00 C ATOM 555 CG HIS A 56 36.608 13.067 -10.269 1.00 0.00 C ATOM 556 ND1 HIS A 56 36.914 12.654 -11.548 1.00 0.00 N ATOM 557 CD2 HIS A 56 36.692 11.953 -9.490 1.00 0.00 C ATOM 558 CE1 HIS A 56 37.171 11.323 -11.478 1.00 0.00 C ATOM 559 NE2 HIS A 56 37.048 10.853 -10.250 1.00 0.00 N ATOM 0 H HIS A 56 38.004 14.421 -8.014 1.00 0.00 H new ATOM 0 HA HIS A 56 38.148 15.170 -10.731 1.00 0.00 H new ATOM 0 HB2 HIS A 56 35.795 14.501 -8.919 1.00 0.00 H new ATOM 0 HB3 HIS A 56 35.609 14.918 -10.611 1.00 0.00 H new ATOM 0 HD2 HIS A 56 36.506 11.931 -8.426 1.00 0.00 H new ATOM 0 HE1 HIS A 56 37.445 10.718 -12.329 1.00 0.00 H new ATOM 0 HE2 HIS A 56 37.185 9.893 -9.933 1.00 0.00 H new ATOM 561 N HIS A 57 37.241 17.446 -10.923 1.00 0.00 N ATOM 562 CA HIS A 57 36.918 18.838 -11.054 1.00 0.00 C ATOM 563 C HIS A 57 35.886 18.934 -12.179 1.00 0.00 C ATOM 564 O HIS A 57 36.127 18.378 -13.284 1.00 0.00 O ATOM 565 CB HIS A 57 38.134 19.702 -11.449 1.00 0.00 C ATOM 566 CG HIS A 57 38.912 20.214 -10.271 1.00 0.00 C ATOM 567 ND1 HIS A 57 38.766 21.478 -9.745 1.00 0.00 N ATOM 568 CD2 HIS A 57 39.862 19.603 -9.509 1.00 0.00 C ATOM 569 CE1 HIS A 57 39.625 21.569 -8.698 1.00 0.00 C ATOM 570 NE2 HIS A 57 40.312 20.456 -8.518 1.00 0.00 N ATOM 571 OXT HIS A 57 34.826 19.567 -11.942 1.00 0.00 O ATOM 0 H HIS A 57 37.495 17.002 -11.805 1.00 0.00 H new ATOM 0 HA HIS A 57 36.557 19.208 -10.094 1.00 0.00 H new ATOM 0 HB2 HIS A 57 38.797 19.114 -12.084 1.00 0.00 H new ATOM 0 HB3 HIS A 57 37.791 20.549 -12.043 1.00 0.00 H new ATOM 0 HD2 HIS A 57 40.214 18.593 -9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 57 39.734 22.450 -8.083 1.00 0.00 H new ATOM 0 HE2 HIS A 57 41.018 20.267 -7.806 1.00 0.00 H new TER 573 HIS A 57