USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=17 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= -0.132 K(o=0.38,f=-3.2!) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.517 K(o=0.38,f=-0.47) USER MOD Set 1.3: A 57 HIS : no HD1:sc= 0 X(o=0.38,f=0.38) USER MOD Set 2.1: A 50 HIS : no HE2:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.2: A 56 HIS : no HD1:sc= 0 X(o=0,f=0.059) USER MOD Set 3.1: A 6 SER OG : rot -150:sc= 0.389 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.055 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -152:sc= -0.0447 (180deg=-0.541) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=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= 0.0791 K(o=0.079,f=-1) USER MOD Single : A 21 TYR OH : rot 110:sc= -0.0704 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -79:sc= 0.598 USER MOD Single : A 25 SER OG : rot 130:sc= 0.00151 USER MOD Single : A 26 SER OG : rot -45:sc= 0.449 USER MOD Single : A 31 SER OG : rot 81:sc= 0.374 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= -0.161 K(o=-0.16,f=-1.5!) USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.62 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 53 THR OG1 : rot 72:sc= 0.599 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 39.610 -12.725 -18.001 1.00 0.00 N ATOM 2 CA ALA A 1 40.998 -12.806 -18.496 1.00 0.00 C ATOM 3 C ALA A 1 41.950 -13.176 -17.404 1.00 0.00 C ATOM 4 O ALA A 1 41.689 -12.952 -16.222 1.00 0.00 O ATOM 5 CB ALA A 1 41.429 -11.454 -19.094 1.00 0.00 C ATOM 0 H1 ALA A 1 39.057 -13.516 -18.388 1.00 0.00 H new ATOM 0 H2 ALA A 1 39.608 -12.777 -16.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 39.186 -11.825 -18.303 1.00 0.00 H new ATOM 0 HA ALA A 1 41.025 -13.581 -19.262 1.00 0.00 H new ATOM 0 HB1 ALA A 1 42.455 -11.527 -19.456 1.00 0.00 H new ATOM 0 HB2 ALA A 1 40.769 -11.196 -19.923 1.00 0.00 H new ATOM 0 HB3 ALA A 1 41.368 -10.681 -18.328 1.00 0.00 H new ATOM 9 N SER A 2 43.073 -13.793 -17.834 1.00 0.00 N ATOM 10 CA SER A 2 44.141 -14.254 -16.988 1.00 0.00 C ATOM 11 C SER A 2 45.356 -13.355 -17.019 1.00 0.00 C ATOM 12 O SER A 2 46.314 -13.596 -16.282 1.00 0.00 O ATOM 13 CB SER A 2 44.566 -15.692 -17.371 1.00 0.00 C ATOM 14 OG SER A 2 45.036 -15.741 -18.713 1.00 0.00 O ATOM 0 H SER A 2 43.245 -13.980 -18.822 1.00 0.00 H new ATOM 0 HA SER A 2 43.743 -14.237 -15.973 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.348 -16.037 -16.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 43.720 -16.369 -17.252 1.00 0.00 H new ATOM 0 HG SER A 2 45.301 -16.658 -18.934 1.00 0.00 H new ATOM 17 N MET A 3 45.332 -12.292 -17.859 1.00 0.00 N ATOM 18 CA MET A 3 46.420 -11.358 -18.026 1.00 0.00 C ATOM 19 C MET A 3 46.706 -10.509 -16.817 1.00 0.00 C ATOM 20 O MET A 3 47.872 -10.187 -16.576 1.00 0.00 O ATOM 21 CB MET A 3 46.191 -10.383 -19.199 1.00 0.00 C ATOM 22 CG MET A 3 46.261 -11.006 -20.598 1.00 0.00 C ATOM 23 SD MET A 3 47.861 -11.759 -21.034 1.00 0.00 S ATOM 24 CE MET A 3 48.789 -10.197 -21.121 1.00 0.00 C ATOM 0 H MET A 3 44.525 -12.074 -18.444 1.00 0.00 H new ATOM 0 HA MET A 3 47.270 -12.014 -18.215 1.00 0.00 H new ATOM 0 HB2 MET A 3 45.213 -9.917 -19.076 1.00 0.00 H new ATOM 0 HB3 MET A 3 46.933 -9.587 -19.137 1.00 0.00 H new ATOM 0 HG2 MET A 3 45.486 -11.768 -20.678 1.00 0.00 H new ATOM 0 HG3 MET A 3 46.028 -10.236 -21.333 1.00 0.00 H new ATOM 0 HE1 MET A 3 49.618 -10.305 -21.821 1.00 0.00 H new ATOM 0 HE2 MET A 3 48.128 -9.400 -21.461 1.00 0.00 H new ATOM 0 HE3 MET A 3 49.178 -9.949 -20.133 1.00 0.00 H new ATOM 26 N GLY A 4 45.666 -10.182 -16.014 1.00 0.00 N ATOM 27 CA GLY A 4 45.820 -9.370 -14.836 1.00 0.00 C ATOM 28 C GLY A 4 45.715 -10.248 -13.635 1.00 0.00 C ATOM 29 O GLY A 4 46.716 -10.799 -13.175 1.00 0.00 O ATOM 0 H GLY A 4 44.707 -10.485 -16.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 46.784 -8.862 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.053 -8.596 -14.807 1.00 0.00 H new ATOM 31 N LYS A 5 44.466 -10.391 -13.127 1.00 0.00 N ATOM 32 CA LYS A 5 44.109 -11.184 -11.976 1.00 0.00 C ATOM 33 C LYS A 5 44.821 -10.877 -10.681 1.00 0.00 C ATOM 34 O LYS A 5 45.459 -11.755 -10.093 1.00 0.00 O ATOM 35 CB LYS A 5 44.070 -12.721 -12.206 1.00 0.00 C ATOM 36 CG LYS A 5 42.988 -13.246 -13.142 1.00 0.00 C ATOM 37 CD LYS A 5 42.910 -14.776 -13.114 1.00 0.00 C ATOM 38 CE LYS A 5 41.772 -15.363 -13.949 1.00 0.00 C ATOM 39 NZ LYS A 5 41.798 -16.837 -13.895 1.00 0.00 N ATOM 0 H LYS A 5 43.660 -9.926 -13.544 1.00 0.00 H new ATOM 0 HA LYS A 5 43.084 -10.836 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 5 45.039 -13.031 -12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 5 43.948 -13.207 -11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 5 42.024 -12.827 -12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 5 43.192 -12.910 -14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 5 43.855 -15.183 -13.473 1.00 0.00 H new ATOM 0 HD3 LYS A 5 42.793 -15.103 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 5 40.815 -14.997 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 5 41.862 -15.030 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 41.018 -17.219 -14.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 42.705 -17.182 -14.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 41.689 -17.150 -12.909 1.00 0.00 H new ATOM 44 N SER A 6 44.727 -9.597 -10.226 1.00 0.00 N ATOM 45 CA SER A 6 45.309 -9.130 -8.988 1.00 0.00 C ATOM 46 C SER A 6 46.779 -9.370 -8.822 1.00 0.00 C ATOM 47 O SER A 6 47.203 -10.253 -8.073 1.00 0.00 O ATOM 48 CB SER A 6 44.520 -9.514 -7.714 1.00 0.00 C ATOM 49 OG SER A 6 43.211 -8.959 -7.755 1.00 0.00 O ATOM 0 H SER A 6 44.231 -8.867 -10.737 1.00 0.00 H new ATOM 0 HA SER A 6 45.208 -8.051 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 44.459 -10.599 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 45.047 -9.154 -6.830 1.00 0.00 H new ATOM 0 HG SER A 6 42.903 -8.780 -6.842 1.00 0.00 H new ATOM 52 N LYS A 7 47.580 -8.633 -9.625 1.00 0.00 N ATOM 53 CA LYS A 7 49.018 -8.712 -9.602 1.00 0.00 C ATOM 54 C LYS A 7 49.468 -8.248 -8.241 1.00 0.00 C ATOM 55 O LYS A 7 49.017 -7.212 -7.749 1.00 0.00 O ATOM 56 CB LYS A 7 49.666 -7.854 -10.708 1.00 0.00 C ATOM 57 CG LYS A 7 51.187 -7.972 -10.829 1.00 0.00 C ATOM 58 CD LYS A 7 51.749 -7.187 -12.011 1.00 0.00 C ATOM 59 CE LYS A 7 53.269 -7.255 -12.143 1.00 0.00 C ATOM 60 NZ LYS A 7 53.688 -6.515 -13.347 1.00 0.00 N ATOM 0 H LYS A 7 47.220 -7.966 -10.307 1.00 0.00 H new ATOM 0 HA LYS A 7 49.330 -9.739 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 7 49.221 -8.129 -11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 7 49.414 -6.809 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 7 51.649 -7.614 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 7 51.458 -9.022 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 7 51.299 -7.563 -12.930 1.00 0.00 H new ATOM 0 HD3 LYS A 7 51.450 -6.143 -11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 53.742 -6.829 -11.258 1.00 0.00 H new ATOM 0 HE3 LYS A 7 53.594 -8.293 -12.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 54.723 -6.560 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 53.247 -6.941 -14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 53.390 -5.522 -13.265 1.00 0.00 H new ATOM 65 N GLU A 8 50.370 -9.059 -7.629 1.00 0.00 N ATOM 66 CA GLU A 8 50.952 -8.929 -6.312 1.00 0.00 C ATOM 67 C GLU A 8 49.950 -9.468 -5.329 1.00 0.00 C ATOM 68 O GLU A 8 48.761 -9.148 -5.375 1.00 0.00 O ATOM 69 CB GLU A 8 51.421 -7.519 -5.860 1.00 0.00 C ATOM 70 CG GLU A 8 52.608 -6.962 -6.665 1.00 0.00 C ATOM 71 CD GLU A 8 53.022 -5.558 -6.207 1.00 0.00 C ATOM 72 OE1 GLU A 8 52.415 -4.959 -5.279 1.00 0.00 O ATOM 73 OE2 GLU A 8 53.991 -5.050 -6.829 1.00 0.00 O ATOM 0 H GLU A 8 50.725 -9.887 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 8 51.886 -9.489 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 8 50.584 -6.826 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 8 51.698 -7.561 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 8 53.458 -7.638 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 8 52.344 -6.933 -7.722 1.00 0.00 H new ATOM 75 N ILE A 9 50.443 -10.304 -4.388 1.00 0.00 N ATOM 76 CA ILE A 9 49.635 -10.952 -3.376 1.00 0.00 C ATOM 77 C ILE A 9 49.057 -9.905 -2.444 1.00 0.00 C ATOM 78 O ILE A 9 47.874 -9.956 -2.105 1.00 0.00 O ATOM 79 CB ILE A 9 50.459 -11.985 -2.607 1.00 0.00 C ATOM 80 CG1 ILE A 9 50.843 -13.140 -3.557 1.00 0.00 C ATOM 81 CG2 ILE A 9 49.685 -12.519 -1.376 1.00 0.00 C ATOM 82 CD1 ILE A 9 51.891 -14.103 -2.995 1.00 0.00 C ATOM 0 H ILE A 9 51.433 -10.540 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 9 48.813 -11.483 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 9 51.365 -11.506 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 9 49.944 -13.705 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 9 51.219 -12.717 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 50.298 -13.251 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 9 49.453 -11.692 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 9 48.759 -12.990 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 9 52.100 -14.882 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 9 52.808 -13.556 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 9 51.513 -14.559 -2.080 1.00 0.00 H new ATOM 84 N SER A 10 49.885 -8.905 -2.081 1.00 0.00 N ATOM 85 CA SER A 10 49.562 -7.817 -1.198 1.00 0.00 C ATOM 86 C SER A 10 48.530 -6.854 -1.717 1.00 0.00 C ATOM 87 O SER A 10 47.890 -6.173 -0.914 1.00 0.00 O ATOM 88 CB SER A 10 50.829 -7.014 -0.827 1.00 0.00 C ATOM 89 OG SER A 10 51.391 -6.388 -1.975 1.00 0.00 O ATOM 0 H SER A 10 50.843 -8.852 -2.426 1.00 0.00 H new ATOM 0 HA SER A 10 49.128 -8.306 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 10 50.580 -6.258 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 10 51.565 -7.678 -0.374 1.00 0.00 H new ATOM 0 HG SER A 10 52.190 -5.885 -1.715 1.00 0.00 H new ATOM 92 N GLN A 11 48.329 -6.804 -3.058 1.00 0.00 N ATOM 93 CA GLN A 11 47.419 -5.885 -3.689 1.00 0.00 C ATOM 94 C GLN A 11 45.994 -6.024 -3.218 1.00 0.00 C ATOM 95 O GLN A 11 45.342 -4.999 -3.028 1.00 0.00 O ATOM 96 CB GLN A 11 47.493 -5.966 -5.228 1.00 0.00 C ATOM 97 CG GLN A 11 46.738 -4.883 -6.016 1.00 0.00 C ATOM 98 CD GLN A 11 47.347 -3.501 -5.734 1.00 0.00 C ATOM 99 OE1 GLN A 11 48.557 -3.274 -5.783 1.00 0.00 O ATOM 100 NE2 GLN A 11 46.460 -2.529 -5.402 1.00 0.00 N ATOM 0 H GLN A 11 48.811 -7.417 -3.716 1.00 0.00 H new ATOM 0 HA GLN A 11 47.754 -4.896 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 11 48.542 -5.929 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.110 -6.939 -5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.786 -5.099 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.684 -4.888 -5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 11 45.462 -2.739 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 11 46.791 -1.588 -5.187 1.00 0.00 H new ATOM 104 N ASP A 12 45.497 -7.260 -2.964 1.00 0.00 N ATOM 105 CA ASP A 12 44.144 -7.472 -2.494 1.00 0.00 C ATOM 106 C ASP A 12 43.942 -6.896 -1.126 1.00 0.00 C ATOM 107 O ASP A 12 42.910 -6.271 -0.880 1.00 0.00 O ATOM 108 CB ASP A 12 43.723 -8.959 -2.446 1.00 0.00 C ATOM 109 CG ASP A 12 43.429 -9.527 -3.835 1.00 0.00 C ATOM 110 OD1 ASP A 12 43.239 -8.755 -4.814 1.00 0.00 O ATOM 111 OD2 ASP A 12 43.385 -10.782 -3.929 1.00 0.00 O ATOM 0 H ASP A 12 46.034 -8.119 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 12 43.520 -6.962 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 12 44.515 -9.543 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 12 42.837 -9.063 -1.819 1.00 0.00 H new ATOM 113 N LEU A 13 44.949 -7.046 -0.230 1.00 0.00 N ATOM 114 CA LEU A 13 44.888 -6.539 1.118 1.00 0.00 C ATOM 115 C LEU A 13 44.879 -5.032 1.072 1.00 0.00 C ATOM 116 O LEU A 13 44.077 -4.409 1.768 1.00 0.00 O ATOM 117 CB LEU A 13 46.077 -7.015 1.990 1.00 0.00 C ATOM 118 CG LEU A 13 46.056 -6.580 3.479 1.00 0.00 C ATOM 119 CD1 LEU A 13 44.828 -7.120 4.239 1.00 0.00 C ATOM 120 CD2 LEU A 13 47.383 -6.910 4.178 1.00 0.00 C ATOM 0 H LEU A 13 45.821 -7.528 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 13 43.977 -6.925 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 13 46.114 -8.104 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 13 47.000 -6.649 1.540 1.00 0.00 H new ATOM 0 HG LEU A 13 45.952 -5.495 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 13 44.865 -6.785 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 13 43.917 -6.748 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 13 44.832 -8.210 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 13 47.334 -6.592 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 47.560 -7.985 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 13 48.198 -6.388 3.677 1.00 0.00 H new ATOM 122 N ARG A 14 45.715 -4.433 0.187 1.00 0.00 N ATOM 123 CA ARG A 14 45.824 -3.001 0.034 1.00 0.00 C ATOM 124 C ARG A 14 44.521 -2.432 -0.441 1.00 0.00 C ATOM 125 O ARG A 14 44.088 -1.414 0.090 1.00 0.00 O ATOM 126 CB ARG A 14 46.818 -2.579 -1.058 1.00 0.00 C ATOM 127 CG ARG A 14 48.295 -2.804 -0.779 1.00 0.00 C ATOM 128 CD ARG A 14 49.099 -2.487 -2.036 1.00 0.00 C ATOM 129 NE ARG A 14 50.529 -2.817 -1.782 1.00 0.00 N ATOM 130 CZ ARG A 14 51.427 -2.902 -2.811 1.00 0.00 C ATOM 131 NH1 ARG A 14 51.056 -2.727 -4.117 1.00 0.00 N ATOM 132 NH2 ARG A 14 52.730 -3.187 -2.529 1.00 0.00 N ATOM 0 H ARG A 14 46.330 -4.956 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 14 46.140 -2.643 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 14 46.562 -3.114 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 14 46.670 -1.518 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 14 48.622 -2.170 0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 14 48.466 -3.836 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 14 48.722 -3.063 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 14 48.994 -1.434 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 14 50.844 -2.982 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 14 50.083 -2.526 -4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 14 51.752 -2.797 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 14 53.023 -3.333 -1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 14 53.412 -3.254 -3.284 1.00 0.00 H new ATOM 139 N LYS A 15 43.851 -3.113 -1.405 1.00 0.00 N ATOM 140 CA LYS A 15 42.598 -2.680 -1.975 1.00 0.00 C ATOM 141 C LYS A 15 41.511 -2.669 -0.952 1.00 0.00 C ATOM 142 O LYS A 15 40.767 -1.696 -0.880 1.00 0.00 O ATOM 143 CB LYS A 15 42.071 -3.601 -3.096 1.00 0.00 C ATOM 144 CG LYS A 15 42.826 -3.578 -4.423 1.00 0.00 C ATOM 145 CD LYS A 15 42.228 -4.555 -5.437 1.00 0.00 C ATOM 146 CE LYS A 15 42.955 -4.600 -6.780 1.00 0.00 C ATOM 147 NZ LYS A 15 42.305 -5.586 -7.664 1.00 0.00 N ATOM 0 H LYS A 15 44.192 -3.990 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 15 42.822 -1.689 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 15 42.073 -4.625 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 15 41.032 -3.336 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 15 42.805 -2.569 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 15 43.872 -3.830 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 15 42.230 -5.555 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 15 41.186 -4.285 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 15 42.941 -3.615 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 15 44.001 -4.866 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 42.802 -5.614 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 42.341 -6.526 -7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 41.313 -5.314 -7.818 1.00 0.00 H new ATOM 152 N ARG A 16 41.447 -3.724 -0.101 1.00 0.00 N ATOM 153 CA ARG A 16 40.438 -3.865 0.919 1.00 0.00 C ATOM 154 C ARG A 16 40.565 -2.768 1.939 1.00 0.00 C ATOM 155 O ARG A 16 39.556 -2.183 2.334 1.00 0.00 O ATOM 156 CB ARG A 16 40.568 -5.191 1.700 1.00 0.00 C ATOM 157 CG ARG A 16 40.263 -6.465 0.903 1.00 0.00 C ATOM 158 CD ARG A 16 40.426 -7.743 1.738 1.00 0.00 C ATOM 159 NE ARG A 16 40.335 -8.939 0.835 1.00 0.00 N ATOM 160 CZ ARG A 16 39.151 -9.495 0.426 1.00 0.00 C ATOM 161 NH1 ARG A 16 37.940 -9.022 0.848 1.00 0.00 N ATOM 162 NH2 ARG A 16 39.194 -10.564 -0.421 1.00 0.00 N ATOM 0 H ARG A 16 42.113 -4.496 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 16 39.483 -3.831 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 16 41.583 -5.263 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 16 39.898 -5.153 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 16 39.243 -6.414 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 16 40.925 -6.514 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 16 41.386 -7.734 2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 16 39.653 -7.792 2.505 1.00 0.00 H new ATOM 0 HE ARG A 16 41.204 -9.362 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 16 37.897 -8.230 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 16 37.079 -9.462 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 16 40.093 -10.930 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 16 38.327 -10.997 -0.741 1.00 0.00 H new ATOM 169 N ILE A 17 41.820 -2.438 2.340 1.00 0.00 N ATOM 170 CA ILE A 17 42.085 -1.421 3.328 1.00 0.00 C ATOM 171 C ILE A 17 41.744 -0.059 2.784 1.00 0.00 C ATOM 172 O ILE A 17 41.026 0.676 3.454 1.00 0.00 O ATOM 173 CB ILE A 17 43.538 -1.469 3.798 1.00 0.00 C ATOM 174 CG1 ILE A 17 43.761 -2.781 4.571 1.00 0.00 C ATOM 175 CG2 ILE A 17 43.922 -0.238 4.657 1.00 0.00 C ATOM 176 CD1 ILE A 17 45.230 -3.084 4.838 1.00 0.00 C ATOM 0 H ILE A 17 42.661 -2.884 1.973 1.00 0.00 H new ATOM 0 HA ILE A 17 41.452 -1.618 4.193 1.00 0.00 H new ATOM 0 HB ILE A 17 44.189 -1.438 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 17 43.230 -2.729 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 17 43.324 -3.605 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 17 44.964 -0.321 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.788 0.671 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 17 43.284 -0.197 5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 17 45.314 -4.022 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 17 45.762 -3.168 3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 17 45.666 -2.278 5.429 1.00 0.00 H new ATOM 178 N VAL A 18 42.178 0.258 1.540 1.00 0.00 N ATOM 179 CA VAL A 18 41.959 1.542 0.908 1.00 0.00 C ATOM 180 C VAL A 18 40.498 1.805 0.654 1.00 0.00 C ATOM 181 O VAL A 18 40.046 2.925 0.901 1.00 0.00 O ATOM 182 CB VAL A 18 42.801 1.715 -0.360 1.00 0.00 C ATOM 183 CG1 VAL A 18 42.441 2.985 -1.165 1.00 0.00 C ATOM 184 CG2 VAL A 18 44.278 1.779 0.076 1.00 0.00 C ATOM 0 H VAL A 18 42.697 -0.396 0.954 1.00 0.00 H new ATOM 0 HA VAL A 18 42.299 2.299 1.615 1.00 0.00 H new ATOM 0 HB VAL A 18 42.604 0.872 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 18 43.074 3.047 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.395 2.939 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.599 3.867 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.912 1.902 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 18 44.422 2.624 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 18 44.546 0.856 0.590 1.00 0.00 H new ATOM 186 N ASP A 19 39.725 0.777 0.224 1.00 0.00 N ATOM 187 CA ASP A 19 38.315 0.934 -0.054 1.00 0.00 C ATOM 188 C ASP A 19 37.570 1.315 1.188 1.00 0.00 C ATOM 189 O ASP A 19 36.751 2.234 1.148 1.00 0.00 O ATOM 190 CB ASP A 19 37.647 -0.343 -0.616 1.00 0.00 C ATOM 191 CG ASP A 19 38.038 -0.613 -2.073 1.00 0.00 C ATOM 192 OD1 ASP A 19 38.598 0.280 -2.765 1.00 0.00 O ATOM 193 OD2 ASP A 19 37.774 -1.760 -2.516 1.00 0.00 O ATOM 0 H ASP A 19 40.077 -0.167 0.068 1.00 0.00 H new ATOM 0 HA ASP A 19 38.262 1.716 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 19 37.930 -1.198 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.564 -0.244 -0.545 1.00 0.00 H new ATOM 195 N LEU A 20 37.893 0.650 2.323 1.00 0.00 N ATOM 196 CA LEU A 20 37.268 0.915 3.595 1.00 0.00 C ATOM 197 C LEU A 20 37.687 2.247 4.156 1.00 0.00 C ATOM 198 O LEU A 20 36.857 2.963 4.710 1.00 0.00 O ATOM 199 CB LEU A 20 37.616 -0.140 4.666 1.00 0.00 C ATOM 200 CG LEU A 20 37.016 -1.545 4.439 1.00 0.00 C ATOM 201 CD1 LEU A 20 37.589 -2.554 5.448 1.00 0.00 C ATOM 202 CD2 LEU A 20 35.477 -1.520 4.437 1.00 0.00 C ATOM 0 H LEU A 20 38.600 -0.084 2.358 1.00 0.00 H new ATOM 0 HA LEU A 20 36.199 0.895 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 38.701 -0.232 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.278 0.227 5.635 1.00 0.00 H new ATOM 0 HG LEU A 20 37.312 -1.879 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 20 37.152 -3.536 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 20 38.671 -2.612 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 20 37.351 -2.230 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 20 35.097 -2.529 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 20 35.118 -1.147 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 20 35.125 -0.866 3.639 1.00 0.00 H new ATOM 204 N TYR A 21 38.976 2.616 3.968 1.00 0.00 N ATOM 205 CA TYR A 21 39.607 3.824 4.446 1.00 0.00 C ATOM 206 C TYR A 21 38.915 5.026 3.856 1.00 0.00 C ATOM 207 O TYR A 21 38.610 5.975 4.577 1.00 0.00 O ATOM 208 CB TYR A 21 41.098 3.822 3.982 1.00 0.00 C ATOM 209 CG TYR A 21 41.993 4.937 4.428 1.00 0.00 C ATOM 210 CD1 TYR A 21 42.615 4.869 5.681 1.00 0.00 C ATOM 211 CD2 TYR A 21 42.253 6.039 3.602 1.00 0.00 C ATOM 212 CE1 TYR A 21 43.465 5.891 6.112 1.00 0.00 C ATOM 213 CE2 TYR A 21 43.101 7.065 4.028 1.00 0.00 C ATOM 214 CZ TYR A 21 43.706 6.993 5.286 1.00 0.00 C ATOM 215 OH TYR A 21 44.565 8.027 5.717 1.00 0.00 O ATOM 0 H TYR A 21 39.625 2.028 3.444 1.00 0.00 H new ATOM 0 HA TYR A 21 39.544 3.867 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 21 41.546 2.886 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 21 41.105 3.809 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 21 42.436 4.018 6.321 1.00 0.00 H new ATOM 0 HD2 TYR A 21 41.793 6.096 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 21 43.935 5.830 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 21 43.289 7.913 3.386 1.00 0.00 H new ATOM 0 HH TYR A 21 45.392 8.006 5.191 1.00 0.00 H new ATOM 218 N LYS A 22 38.629 4.989 2.534 1.00 0.00 N ATOM 219 CA LYS A 22 37.988 6.080 1.851 1.00 0.00 C ATOM 220 C LYS A 22 36.522 6.213 2.132 1.00 0.00 C ATOM 221 O LYS A 22 36.037 7.337 2.278 1.00 0.00 O ATOM 222 CB LYS A 22 38.133 6.030 0.320 1.00 0.00 C ATOM 223 CG LYS A 22 39.531 6.330 -0.217 1.00 0.00 C ATOM 224 CD LYS A 22 39.551 6.329 -1.743 1.00 0.00 C ATOM 225 CE LYS A 22 40.912 6.621 -2.366 1.00 0.00 C ATOM 226 NZ LYS A 22 40.779 6.641 -3.836 1.00 0.00 N ATOM 0 H LYS A 22 38.845 4.193 1.933 1.00 0.00 H new ATOM 0 HA LYS A 22 38.523 6.938 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 22 37.835 5.039 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 37.434 6.743 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 22 39.864 7.300 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 40.234 5.587 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 22 39.207 5.357 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 38.837 7.070 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 22 41.290 7.579 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 22 41.634 5.862 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 41.705 6.840 -4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 40.435 5.717 -4.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 40.103 7.381 -4.113 1.00 0.00 H new ATOM 231 N SER A 23 35.791 5.074 2.206 1.00 0.00 N ATOM 232 CA SER A 23 34.369 5.101 2.421 1.00 0.00 C ATOM 233 C SER A 23 33.879 5.284 3.831 1.00 0.00 C ATOM 234 O SER A 23 32.964 6.079 4.057 1.00 0.00 O ATOM 235 CB SER A 23 33.693 3.842 1.831 1.00 0.00 C ATOM 236 OG SER A 23 34.156 2.659 2.469 1.00 0.00 O ATOM 0 H SER A 23 36.186 4.138 2.117 1.00 0.00 H new ATOM 0 HA SER A 23 34.080 6.013 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 23 32.612 3.920 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 23 33.897 3.785 0.762 1.00 0.00 H new ATOM 0 HG SER A 23 35.031 2.411 2.104 1.00 0.00 H new ATOM 239 N GLY A 24 34.495 4.581 4.805 1.00 0.00 N ATOM 240 CA GLY A 24 34.068 4.647 6.174 1.00 0.00 C ATOM 241 C GLY A 24 35.204 4.739 7.129 1.00 0.00 C ATOM 242 O GLY A 24 35.942 5.726 7.149 1.00 0.00 O ATOM 0 H GLY A 24 35.292 3.965 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 24 33.418 5.512 6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 24 33.474 3.763 6.407 1.00 0.00 H new ATOM 244 N SER A 25 35.334 3.677 7.960 1.00 0.00 N ATOM 245 CA SER A 25 36.338 3.594 8.980 1.00 0.00 C ATOM 246 C SER A 25 37.702 3.507 8.373 1.00 0.00 C ATOM 247 O SER A 25 38.008 2.624 7.566 1.00 0.00 O ATOM 248 CB SER A 25 36.104 2.398 9.923 1.00 0.00 C ATOM 249 OG SER A 25 37.092 2.340 10.938 1.00 0.00 O ATOM 0 H SER A 25 34.725 2.860 7.918 1.00 0.00 H new ATOM 0 HA SER A 25 36.268 4.506 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 25 35.117 2.479 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 25 36.115 1.472 9.348 1.00 0.00 H new ATOM 0 HG SER A 25 36.658 2.250 11.812 1.00 0.00 H new ATOM 252 N SER A 26 38.524 4.494 8.776 1.00 0.00 N ATOM 253 CA SER A 26 39.870 4.619 8.325 1.00 0.00 C ATOM 254 C SER A 26 40.822 3.949 9.264 1.00 0.00 C ATOM 255 O SER A 26 41.568 3.054 8.860 1.00 0.00 O ATOM 256 CB SER A 26 40.279 6.102 8.203 1.00 0.00 C ATOM 257 OG SER A 26 39.468 6.755 7.237 1.00 0.00 O ATOM 0 H SER A 26 38.242 5.222 9.432 1.00 0.00 H new ATOM 0 HA SER A 26 39.919 4.139 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 26 40.176 6.596 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 26 41.328 6.175 7.917 1.00 0.00 H new ATOM 0 HG SER A 26 39.389 6.190 6.440 1.00 0.00 H new ATOM 260 N LEU A 27 40.764 4.340 10.559 1.00 0.00 N ATOM 261 CA LEU A 27 41.654 3.809 11.552 1.00 0.00 C ATOM 262 C LEU A 27 41.167 2.561 12.200 1.00 0.00 C ATOM 263 O LEU A 27 41.996 1.733 12.571 1.00 0.00 O ATOM 264 CB LEU A 27 41.979 4.821 12.671 1.00 0.00 C ATOM 265 CG LEU A 27 42.724 6.094 12.207 1.00 0.00 C ATOM 266 CD1 LEU A 27 42.897 7.075 13.374 1.00 0.00 C ATOM 267 CD2 LEU A 27 44.061 5.771 11.510 1.00 0.00 C ATOM 0 H LEU A 27 40.098 5.025 10.916 1.00 0.00 H new ATOM 0 HA LEU A 27 42.553 3.581 10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 27 41.047 5.119 13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 27 42.583 4.321 13.428 1.00 0.00 H new ATOM 0 HG LEU A 27 42.107 6.582 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.423 7.964 13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 27 41.918 7.360 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 27 43.473 6.599 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 27 44.545 6.698 11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 27 44.711 5.234 12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 43.874 5.152 10.632 1.00 0.00 H new ATOM 269 N GLY A 28 39.830 2.370 12.299 1.00 0.00 N ATOM 270 CA GLY A 28 39.265 1.202 12.933 1.00 0.00 C ATOM 271 C GLY A 28 39.546 -0.056 12.172 1.00 0.00 C ATOM 272 O GLY A 28 39.800 -1.095 12.784 1.00 0.00 O ATOM 0 H GLY A 28 39.137 3.026 11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 28 39.667 1.110 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 28 38.187 1.331 13.030 1.00 0.00 H new ATOM 274 N ALA A 29 39.543 0.028 10.819 1.00 0.00 N ATOM 275 CA ALA A 29 39.793 -1.109 9.971 1.00 0.00 C ATOM 276 C ALA A 29 41.226 -1.557 10.078 1.00 0.00 C ATOM 277 O ALA A 29 41.497 -2.758 10.168 1.00 0.00 O ATOM 278 CB ALA A 29 39.507 -0.803 8.489 1.00 0.00 C ATOM 0 H ALA A 29 39.365 0.894 10.310 1.00 0.00 H new ATOM 0 HA ALA A 29 39.119 -1.894 10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.710 -1.690 7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 38.462 -0.517 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.147 0.014 8.156 1.00 0.00 H new ATOM 280 N ILE A 30 42.164 -0.579 10.130 1.00 0.00 N ATOM 281 CA ILE A 30 43.574 -0.849 10.212 1.00 0.00 C ATOM 282 C ILE A 30 43.911 -1.396 11.579 1.00 0.00 C ATOM 283 O ILE A 30 44.571 -2.427 11.660 1.00 0.00 O ATOM 284 CB ILE A 30 44.403 0.393 9.879 1.00 0.00 C ATOM 285 CG1 ILE A 30 44.206 0.774 8.395 1.00 0.00 C ATOM 286 CG2 ILE A 30 45.898 0.144 10.170 1.00 0.00 C ATOM 287 CD1 ILE A 30 44.770 2.144 8.000 1.00 0.00 C ATOM 0 H ILE A 30 41.936 0.415 10.115 1.00 0.00 H new ATOM 0 HA ILE A 30 43.829 -1.603 9.467 1.00 0.00 H new ATOM 0 HB ILE A 30 44.064 1.216 10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 30 44.675 0.011 7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 30 43.140 0.757 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 30 46.470 1.039 9.926 1.00 0.00 H new ATOM 0 HG22 ILE A 30 46.028 -0.094 11.226 1.00 0.00 H new ATOM 0 HG23 ILE A 30 46.253 -0.689 9.564 1.00 0.00 H new ATOM 0 HD11 ILE A 30 44.584 2.322 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 30 44.284 2.921 8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 30 45.843 2.164 8.188 1.00 0.00 H new ATOM 289 N SER A 31 43.384 -0.782 12.663 1.00 0.00 N ATOM 290 CA SER A 31 43.656 -1.170 14.025 1.00 0.00 C ATOM 291 C SER A 31 43.192 -2.559 14.346 1.00 0.00 C ATOM 292 O SER A 31 43.891 -3.269 15.072 1.00 0.00 O ATOM 293 CB SER A 31 43.025 -0.218 15.057 1.00 0.00 C ATOM 294 OG SER A 31 43.622 1.068 14.966 1.00 0.00 O ATOM 0 H SER A 31 42.747 0.011 12.591 1.00 0.00 H new ATOM 0 HA SER A 31 44.743 -1.123 14.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 41.952 -0.142 14.884 1.00 0.00 H new ATOM 0 HB3 SER A 31 43.158 -0.619 16.062 1.00 0.00 H new ATOM 0 HG SER A 31 43.223 1.562 14.220 1.00 0.00 H new ATOM 297 N LYS A 32 42.020 -2.980 13.814 1.00 0.00 N ATOM 298 CA LYS A 32 41.534 -4.303 14.090 1.00 0.00 C ATOM 299 C LYS A 32 42.303 -5.379 13.384 1.00 0.00 C ATOM 300 O LYS A 32 42.705 -6.350 14.032 1.00 0.00 O ATOM 301 CB LYS A 32 40.061 -4.534 13.706 1.00 0.00 C ATOM 302 CG LYS A 32 39.015 -3.832 14.567 1.00 0.00 C ATOM 303 CD LYS A 32 37.607 -4.169 14.087 1.00 0.00 C ATOM 304 CE LYS A 32 36.476 -3.521 14.878 1.00 0.00 C ATOM 305 NZ LYS A 32 35.189 -3.964 14.310 1.00 0.00 N ATOM 0 H LYS A 32 41.423 -2.418 13.207 1.00 0.00 H new ATOM 0 HA LYS A 32 41.659 -4.366 15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.923 -4.214 12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 32 39.864 -5.606 13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 32 39.132 -4.134 15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.169 -2.754 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 32 37.516 -3.870 13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 37.479 -5.251 14.121 1.00 0.00 H new ATOM 0 HE2 LYS A 32 36.541 -3.801 15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 32 36.556 -2.435 14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 34.407 -3.529 14.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 35.132 -3.676 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 35.118 -4.999 14.376 1.00 0.00 H new ATOM 310 N ARG A 33 42.540 -5.223 12.057 1.00 0.00 N ATOM 311 CA ARG A 33 43.230 -6.250 11.318 1.00 0.00 C ATOM 312 C ARG A 33 44.726 -6.204 11.389 1.00 0.00 C ATOM 313 O ARG A 33 45.353 -7.181 11.799 1.00 0.00 O ATOM 314 CB ARG A 33 42.838 -6.264 9.822 1.00 0.00 C ATOM 315 CG ARG A 33 41.358 -6.567 9.569 1.00 0.00 C ATOM 316 CD ARG A 33 40.968 -6.618 8.092 1.00 0.00 C ATOM 317 NE ARG A 33 39.506 -6.918 8.052 1.00 0.00 N ATOM 318 CZ ARG A 33 38.817 -7.087 6.882 1.00 0.00 C ATOM 319 NH1 ARG A 33 39.424 -7.039 5.658 1.00 0.00 N ATOM 320 NH2 ARG A 33 37.475 -7.317 6.948 1.00 0.00 N ATOM 0 H ARG A 33 42.262 -4.409 11.509 1.00 0.00 H new ATOM 0 HA ARG A 33 42.901 -7.159 11.822 1.00 0.00 H new ATOM 0 HB2 ARG A 33 43.080 -5.295 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 33 43.444 -7.008 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 33 41.111 -7.523 10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 33 40.754 -5.808 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 33 41.183 -5.669 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 33 41.536 -7.385 7.567 1.00 0.00 H new ATOM 0 HE ARG A 33 39.000 -7.000 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.428 -6.872 5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 33 38.873 -7.170 4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.009 -7.360 7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 33 36.937 -7.447 6.091 1.00 0.00 H new ATOM 327 N LEU A 34 45.324 -5.052 11.017 1.00 0.00 N ATOM 328 CA LEU A 34 46.755 -4.870 10.988 1.00 0.00 C ATOM 329 C LEU A 34 47.370 -4.497 12.297 1.00 0.00 C ATOM 330 O LEU A 34 48.513 -4.866 12.569 1.00 0.00 O ATOM 331 CB LEU A 34 47.201 -3.766 10.014 1.00 0.00 C ATOM 332 CG LEU A 34 46.915 -4.019 8.528 1.00 0.00 C ATOM 333 CD1 LEU A 34 47.304 -2.773 7.737 1.00 0.00 C ATOM 334 CD2 LEU A 34 47.581 -5.297 7.987 1.00 0.00 C ATOM 0 H LEU A 34 44.803 -4.224 10.728 1.00 0.00 H new ATOM 0 HA LEU A 34 47.096 -5.858 10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 46.713 -2.836 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 34 48.274 -3.614 10.136 1.00 0.00 H new ATOM 0 HG LEU A 34 45.848 -4.203 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 34 47.106 -2.938 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 34 46.719 -1.922 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 34 48.365 -2.568 7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 47.338 -5.415 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 34 48.662 -5.221 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 47.215 -6.161 8.542 1.00 0.00 H new ATOM 336 N ALA A 35 46.615 -3.724 13.110 1.00 0.00 N ATOM 337 CA ALA A 35 46.969 -3.178 14.394 1.00 0.00 C ATOM 338 C ALA A 35 47.835 -1.970 14.180 1.00 0.00 C ATOM 339 O ALA A 35 47.392 -0.860 14.478 1.00 0.00 O ATOM 340 CB ALA A 35 47.612 -4.155 15.409 1.00 0.00 C ATOM 0 H ALA A 35 45.668 -3.457 12.841 1.00 0.00 H new ATOM 0 HA ALA A 35 46.025 -2.918 14.874 1.00 0.00 H new ATOM 0 HB1 ALA A 35 47.832 -3.624 16.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 46.921 -4.973 15.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 48.536 -4.556 14.992 1.00 0.00 H new ATOM 342 N VAL A 36 49.064 -2.148 13.633 1.00 0.00 N ATOM 343 CA VAL A 36 49.973 -1.052 13.389 1.00 0.00 C ATOM 344 C VAL A 36 50.178 -0.950 11.887 1.00 0.00 C ATOM 345 O VAL A 36 50.641 -1.923 11.283 1.00 0.00 O ATOM 346 CB VAL A 36 51.322 -1.223 14.091 1.00 0.00 C ATOM 347 CG1 VAL A 36 52.261 -0.037 13.784 1.00 0.00 C ATOM 348 CG2 VAL A 36 51.099 -1.397 15.606 1.00 0.00 C ATOM 0 H VAL A 36 49.430 -3.059 13.358 1.00 0.00 H new ATOM 0 HA VAL A 36 49.534 -0.142 13.798 1.00 0.00 H new ATOM 0 HB VAL A 36 51.811 -2.120 13.711 1.00 0.00 H new ATOM 0 HG11 VAL A 36 53.212 -0.184 14.295 1.00 0.00 H new ATOM 0 HG12 VAL A 36 52.432 0.023 12.709 1.00 0.00 H new ATOM 0 HG13 VAL A 36 51.802 0.889 14.130 1.00 0.00 H new ATOM 0 HG21 VAL A 36 52.061 -1.519 16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 36 50.594 -0.516 16.003 1.00 0.00 H new ATOM 0 HG23 VAL A 36 50.484 -2.279 15.784 1.00 0.00 H new ATOM 350 N PRO A 37 49.824 0.175 11.250 1.00 0.00 N ATOM 351 CA PRO A 37 49.984 0.380 9.823 1.00 0.00 C ATOM 352 C PRO A 37 51.410 0.448 9.347 1.00 0.00 C ATOM 353 O PRO A 37 51.690 -0.074 8.266 1.00 0.00 O ATOM 354 CB PRO A 37 49.234 1.676 9.497 1.00 0.00 C ATOM 355 CG PRO A 37 49.122 2.423 10.837 1.00 0.00 C ATOM 356 CD PRO A 37 49.176 1.315 11.898 1.00 0.00 C ATOM 0 HA PRO A 37 49.582 -0.486 9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 37 49.774 2.269 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 37 48.249 1.467 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 37 49.937 3.135 10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 37 48.192 2.989 10.900 1.00 0.00 H new ATOM 0 HD2 PRO A 37 49.739 1.639 12.774 1.00 0.00 H new ATOM 0 HD3 PRO A 37 48.175 1.053 12.241 1.00 0.00 H new ATOM 357 N ARG A 38 52.312 1.090 10.137 1.00 0.00 N ATOM 358 CA ARG A 38 53.680 1.390 9.777 1.00 0.00 C ATOM 359 C ARG A 38 53.807 2.186 8.497 1.00 0.00 C ATOM 360 O ARG A 38 52.819 2.649 7.920 1.00 0.00 O ATOM 361 CB ARG A 38 54.591 0.130 9.749 1.00 0.00 C ATOM 362 CG ARG A 38 54.831 -0.475 11.131 1.00 0.00 C ATOM 363 CD ARG A 38 55.720 -1.720 11.134 1.00 0.00 C ATOM 364 NE ARG A 38 55.769 -2.238 12.538 1.00 0.00 N ATOM 365 CZ ARG A 38 56.659 -1.772 13.473 1.00 0.00 C ATOM 366 NH1 ARG A 38 57.603 -0.828 13.173 1.00 0.00 N ATOM 367 NH2 ARG A 38 56.599 -2.274 14.740 1.00 0.00 N ATOM 0 H ARG A 38 52.074 1.416 11.074 1.00 0.00 H new ATOM 0 HA ARG A 38 54.041 2.032 10.581 1.00 0.00 H new ATOM 0 HB2 ARG A 38 54.138 -0.623 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 38 55.551 0.394 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 38 55.285 0.282 11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 38 53.868 -0.731 11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 38 55.320 -2.478 10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 38 56.722 -1.476 10.781 1.00 0.00 H new ATOM 0 HE ARG A 38 55.112 -2.969 12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 38 57.661 -0.447 12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 38 58.248 -0.505 13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 38 55.903 -2.981 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 38 57.251 -1.942 15.451 1.00 0.00 H new ATOM 374 N SER A 39 55.060 2.352 8.021 1.00 0.00 N ATOM 375 CA SER A 39 55.396 3.072 6.823 1.00 0.00 C ATOM 376 C SER A 39 54.818 2.422 5.599 1.00 0.00 C ATOM 377 O SER A 39 54.420 3.122 4.670 1.00 0.00 O ATOM 378 CB SER A 39 56.928 3.198 6.654 1.00 0.00 C ATOM 379 OG SER A 39 57.538 1.918 6.526 1.00 0.00 O ATOM 0 H SER A 39 55.877 1.966 8.494 1.00 0.00 H new ATOM 0 HA SER A 39 54.962 4.066 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 39 57.151 3.800 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 39 57.350 3.721 7.513 1.00 0.00 H new ATOM 0 HG SER A 39 58.506 2.026 6.419 1.00 0.00 H new ATOM 382 N SER A 40 54.701 1.073 5.615 1.00 0.00 N ATOM 383 CA SER A 40 54.206 0.289 4.516 1.00 0.00 C ATOM 384 C SER A 40 52.801 0.655 4.127 1.00 0.00 C ATOM 385 O SER A 40 52.542 0.846 2.939 1.00 0.00 O ATOM 386 CB SER A 40 54.244 -1.210 4.860 1.00 0.00 C ATOM 387 OG SER A 40 55.592 -1.628 5.031 1.00 0.00 O ATOM 0 H SER A 40 54.961 0.509 6.424 1.00 0.00 H new ATOM 0 HA SER A 40 54.861 0.504 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 40 53.676 -1.398 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 40 53.772 -1.788 4.065 1.00 0.00 H new ATOM 0 HG SER A 40 55.613 -2.583 5.252 1.00 0.00 H new ATOM 390 N VAL A 41 51.876 0.782 5.107 1.00 0.00 N ATOM 391 CA VAL A 41 50.511 1.148 4.814 1.00 0.00 C ATOM 392 C VAL A 41 50.387 2.638 4.666 1.00 0.00 C ATOM 393 O VAL A 41 49.676 3.089 3.768 1.00 0.00 O ATOM 394 CB VAL A 41 49.527 0.575 5.821 1.00 0.00 C ATOM 395 CG1 VAL A 41 48.078 1.067 5.612 1.00 0.00 C ATOM 396 CG2 VAL A 41 49.608 -0.955 5.678 1.00 0.00 C ATOM 0 H VAL A 41 52.070 0.633 6.097 1.00 0.00 H new ATOM 0 HA VAL A 41 50.242 0.698 3.858 1.00 0.00 H new ATOM 0 HB VAL A 41 49.795 0.911 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 41 47.429 0.619 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 41 48.045 2.153 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 41 47.735 0.777 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 41 48.919 -1.423 6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 41 49.339 -1.240 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 41 50.624 -1.287 5.891 1.00 0.00 H new ATOM 398 N GLN A 42 51.119 3.426 5.495 1.00 0.00 N ATOM 399 CA GLN A 42 51.049 4.868 5.463 1.00 0.00 C ATOM 400 C GLN A 42 51.442 5.501 4.171 1.00 0.00 C ATOM 401 O GLN A 42 50.763 6.434 3.752 1.00 0.00 O ATOM 402 CB GLN A 42 51.820 5.579 6.597 1.00 0.00 C ATOM 403 CG GLN A 42 51.182 5.452 7.990 1.00 0.00 C ATOM 404 CD GLN A 42 49.831 6.176 8.018 1.00 0.00 C ATOM 405 OE1 GLN A 42 49.711 7.347 7.657 1.00 0.00 O ATOM 406 NE2 GLN A 42 48.767 5.446 8.441 1.00 0.00 N ATOM 0 H GLN A 42 51.765 3.059 6.194 1.00 0.00 H new ATOM 0 HA GLN A 42 49.979 5.018 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 42 52.832 5.175 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 42 51.909 6.637 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 42 51.045 4.400 8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 42 51.846 5.876 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 42 48.897 4.478 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 42 47.838 5.866 8.466 1.00 0.00 H new ATOM 410 N THR A 43 52.484 4.985 3.484 1.00 0.00 N ATOM 411 CA THR A 43 52.939 5.542 2.229 1.00 0.00 C ATOM 412 C THR A 43 51.873 5.365 1.169 1.00 0.00 C ATOM 413 O THR A 43 51.566 6.314 0.444 1.00 0.00 O ATOM 414 CB THR A 43 54.242 4.899 1.777 1.00 0.00 C ATOM 415 OG1 THR A 43 55.253 5.141 2.747 1.00 0.00 O ATOM 416 CG2 THR A 43 54.726 5.490 0.438 1.00 0.00 C ATOM 0 H THR A 43 53.019 4.175 3.797 1.00 0.00 H new ATOM 0 HA THR A 43 53.126 6.605 2.378 1.00 0.00 H new ATOM 0 HB THR A 43 54.057 3.832 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 43 55.123 4.542 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 43 55.659 5.009 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 43 53.971 5.318 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 43 54.891 6.562 0.552 1.00 0.00 H new ATOM 419 N ILE A 44 51.244 4.166 1.126 1.00 0.00 N ATOM 420 CA ILE A 44 50.228 3.822 0.160 1.00 0.00 C ATOM 421 C ILE A 44 48.986 4.653 0.391 1.00 0.00 C ATOM 422 O ILE A 44 48.466 5.248 -0.557 1.00 0.00 O ATOM 423 CB ILE A 44 49.923 2.326 0.237 1.00 0.00 C ATOM 424 CG1 ILE A 44 51.168 1.539 -0.226 1.00 0.00 C ATOM 425 CG2 ILE A 44 48.676 1.938 -0.594 1.00 0.00 C ATOM 426 CD1 ILE A 44 51.109 0.041 0.062 1.00 0.00 C ATOM 0 H ILE A 44 51.448 3.413 1.783 1.00 0.00 H new ATOM 0 HA ILE A 44 50.593 4.041 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 44 49.690 2.072 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 44 51.298 1.686 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 44 52.049 1.956 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.500 0.866 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 44 47.807 2.479 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 44 48.841 2.195 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 44 52.022 -0.434 -0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 44 51.013 -0.120 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.250 -0.394 -0.449 1.00 0.00 H new ATOM 428 N VAL A 45 48.542 4.773 1.666 1.00 0.00 N ATOM 429 CA VAL A 45 47.346 5.510 1.982 1.00 0.00 C ATOM 430 C VAL A 45 47.477 6.980 1.785 1.00 0.00 C ATOM 431 O VAL A 45 46.503 7.594 1.370 1.00 0.00 O ATOM 432 CB VAL A 45 46.679 5.201 3.320 1.00 0.00 C ATOM 433 CG1 VAL A 45 46.271 3.716 3.327 1.00 0.00 C ATOM 434 CG2 VAL A 45 47.533 5.624 4.528 1.00 0.00 C ATOM 0 H VAL A 45 49.010 4.361 2.474 1.00 0.00 H new ATOM 0 HA VAL A 45 46.658 5.120 1.232 1.00 0.00 H new ATOM 0 HB VAL A 45 45.778 5.805 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 45 45.792 3.475 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 45.575 3.526 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 45 47.157 3.095 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 45 47.006 5.379 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 45 48.486 5.095 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 45 47.713 6.698 4.488 1.00 0.00 H new ATOM 436 N ARG A 46 48.671 7.574 2.021 1.00 0.00 N ATOM 437 CA ARG A 46 48.846 8.997 1.851 1.00 0.00 C ATOM 438 C ARG A 46 48.676 9.447 0.429 1.00 0.00 C ATOM 439 O ARG A 46 48.104 10.510 0.185 1.00 0.00 O ATOM 440 CB ARG A 46 50.150 9.544 2.454 1.00 0.00 C ATOM 441 CG ARG A 46 50.070 9.507 3.981 1.00 0.00 C ATOM 442 CD ARG A 46 51.287 10.032 4.742 1.00 0.00 C ATOM 443 NE ARG A 46 51.013 9.820 6.202 1.00 0.00 N ATOM 444 CZ ARG A 46 50.240 10.682 6.936 1.00 0.00 C ATOM 445 NH1 ARG A 46 49.714 11.825 6.396 1.00 0.00 N ATOM 446 NH2 ARG A 46 49.979 10.380 8.240 1.00 0.00 N ATOM 0 H ARG A 46 49.508 7.077 2.326 1.00 0.00 H new ATOM 0 HA ARG A 46 48.033 9.434 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 46 50.997 8.950 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 50.318 10.566 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 46 49.199 10.085 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 46 49.895 8.476 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 46 52.190 9.503 4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 46 51.449 11.089 4.529 1.00 0.00 H new ATOM 0 HE ARG A 46 51.416 9.005 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 46 49.893 12.057 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 46 49.143 12.445 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 46 50.357 9.526 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 46 49.406 11.008 8.804 1.00 0.00 H new ATOM 453 N LYS A 47 49.134 8.623 -0.537 1.00 0.00 N ATOM 454 CA LYS A 47 49.027 8.907 -1.948 1.00 0.00 C ATOM 455 C LYS A 47 47.585 8.768 -2.357 1.00 0.00 C ATOM 456 O LYS A 47 47.039 9.655 -3.020 1.00 0.00 O ATOM 457 CB LYS A 47 49.856 7.897 -2.755 1.00 0.00 C ATOM 458 CG LYS A 47 51.359 8.076 -2.544 1.00 0.00 C ATOM 459 CD LYS A 47 52.202 7.027 -3.259 1.00 0.00 C ATOM 460 CE LYS A 47 53.692 7.141 -2.944 1.00 0.00 C ATOM 461 NZ LYS A 47 54.426 6.025 -3.571 1.00 0.00 N ATOM 0 H LYS A 47 49.592 7.734 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 47 49.393 9.915 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 49.570 6.885 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 47 49.625 8.006 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 47 51.652 9.066 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 47 51.575 8.038 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 47 51.852 6.034 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 47 52.056 7.123 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 47 54.078 8.092 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 47 53.846 7.128 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 55.439 6.109 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 54.066 5.122 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 54.291 6.056 -4.602 1.00 0.00 H new ATOM 466 N TYR A 48 46.918 7.678 -1.894 1.00 0.00 N ATOM 467 CA TYR A 48 45.534 7.435 -2.221 1.00 0.00 C ATOM 468 C TYR A 48 44.590 8.439 -1.632 1.00 0.00 C ATOM 469 O TYR A 48 43.566 8.743 -2.242 1.00 0.00 O ATOM 470 CB TYR A 48 45.038 6.004 -1.920 1.00 0.00 C ATOM 471 CG TYR A 48 45.581 5.134 -3.011 1.00 0.00 C ATOM 472 CD1 TYR A 48 46.552 4.171 -2.734 1.00 0.00 C ATOM 473 CD2 TYR A 48 45.135 5.279 -4.335 1.00 0.00 C ATOM 474 CE1 TYR A 48 47.076 3.363 -3.745 1.00 0.00 C ATOM 475 CE2 TYR A 48 45.654 4.476 -5.355 1.00 0.00 C ATOM 476 CZ TYR A 48 46.624 3.514 -5.057 1.00 0.00 C ATOM 477 OH TYR A 48 47.151 2.699 -6.084 1.00 0.00 O ATOM 0 H TYR A 48 47.338 6.968 -1.295 1.00 0.00 H new ATOM 0 HA TYR A 48 45.523 7.553 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 48 45.388 5.668 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 48 43.949 5.966 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 48 46.904 4.049 -1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 48 44.383 6.019 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 48 47.828 2.624 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 48 45.307 4.598 -6.370 1.00 0.00 H new ATOM 0 HH TYR A 48 46.728 2.933 -6.937 1.00 0.00 H new ATOM 480 N LYS A 49 44.939 9.003 -0.454 1.00 0.00 N ATOM 481 CA LYS A 49 44.169 9.986 0.267 1.00 0.00 C ATOM 482 C LYS A 49 44.119 11.251 -0.544 1.00 0.00 C ATOM 483 O LYS A 49 43.071 11.894 -0.591 1.00 0.00 O ATOM 484 CB LYS A 49 44.797 10.243 1.647 1.00 0.00 C ATOM 485 CG LYS A 49 44.066 11.148 2.632 1.00 0.00 C ATOM 486 CD LYS A 49 44.782 11.091 3.980 1.00 0.00 C ATOM 487 CE LYS A 49 44.169 11.921 5.100 1.00 0.00 C ATOM 488 NZ LYS A 49 44.950 11.681 6.327 1.00 0.00 N ATOM 0 H LYS A 49 45.807 8.760 0.023 1.00 0.00 H new ATOM 0 HA LYS A 49 43.154 9.621 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 49 44.938 9.276 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 49 45.788 10.666 1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 44.045 12.172 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.030 10.827 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 49 44.820 10.051 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 49 45.812 11.417 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 49 44.183 12.980 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 49 43.126 11.644 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 44.549 12.239 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 44.914 10.670 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 45.938 11.965 6.171 1.00 0.00 H new ATOM 493 N HIS A 50 45.233 11.604 -1.239 1.00 0.00 N ATOM 494 CA HIS A 50 45.313 12.776 -2.077 1.00 0.00 C ATOM 495 C HIS A 50 44.371 12.600 -3.240 1.00 0.00 C ATOM 496 O HIS A 50 43.649 13.537 -3.585 1.00 0.00 O ATOM 497 CB HIS A 50 46.742 13.014 -2.632 1.00 0.00 C ATOM 498 CG HIS A 50 46.888 14.221 -3.523 1.00 0.00 C ATOM 499 ND1 HIS A 50 46.799 15.522 -3.081 1.00 0.00 N ATOM 500 CD2 HIS A 50 47.103 14.300 -4.866 1.00 0.00 C ATOM 501 CE1 HIS A 50 46.962 16.318 -4.169 1.00 0.00 C ATOM 502 NE2 HIS A 50 47.150 15.621 -5.275 1.00 0.00 N ATOM 0 H HIS A 50 46.096 11.061 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 50 45.045 13.639 -1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 50 47.429 13.116 -1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 50 47.050 12.130 -3.190 1.00 0.00 H new ATOM 0 HD1 HIS A 50 46.641 15.829 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 50 47.220 13.449 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 50 46.940 17.397 -4.134 1.00 0.00 H new ATOM 504 N HIS A 51 44.327 11.376 -3.823 1.00 0.00 N ATOM 505 CA HIS A 51 43.468 11.075 -4.945 1.00 0.00 C ATOM 506 C HIS A 51 42.019 11.044 -4.535 1.00 0.00 C ATOM 507 O HIS A 51 41.148 11.418 -5.322 1.00 0.00 O ATOM 508 CB HIS A 51 43.797 9.721 -5.606 1.00 0.00 C ATOM 509 CG HIS A 51 45.106 9.720 -6.338 1.00 0.00 C ATOM 510 ND1 HIS A 51 45.382 10.511 -7.431 1.00 0.00 N ATOM 511 CD2 HIS A 51 46.238 9.001 -6.107 1.00 0.00 C ATOM 512 CE1 HIS A 51 46.657 10.237 -7.802 1.00 0.00 C ATOM 513 NE2 HIS A 51 47.218 9.326 -7.027 1.00 0.00 N ATOM 0 H HIS A 51 44.893 10.586 -3.513 1.00 0.00 H new ATOM 0 HA HIS A 51 43.647 11.875 -5.664 1.00 0.00 H new ATOM 0 HB2 HIS A 51 43.817 8.946 -4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 51 42.999 9.461 -6.302 1.00 0.00 H new ATOM 0 HD2 HIS A 51 46.355 8.277 -5.315 1.00 0.00 H new ATOM 0 HE1 HIS A 51 47.156 10.709 -8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 51 48.163 8.947 -7.093 1.00 0.00 H new ATOM 515 N GLY A 52 41.741 10.618 -3.278 1.00 0.00 N ATOM 516 CA GLY A 52 40.412 10.541 -2.733 1.00 0.00 C ATOM 517 C GLY A 52 39.865 11.901 -2.432 1.00 0.00 C ATOM 518 O GLY A 52 38.658 12.109 -2.568 1.00 0.00 O ATOM 0 H GLY A 52 42.464 10.319 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 52 39.756 10.032 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 40.425 9.943 -1.822 1.00 0.00 H new ATOM 520 N THR A 53 40.743 12.848 -2.011 1.00 0.00 N ATOM 521 CA THR A 53 40.320 14.187 -1.697 1.00 0.00 C ATOM 522 C THR A 53 40.056 14.901 -3.003 1.00 0.00 C ATOM 523 O THR A 53 38.913 15.279 -3.255 1.00 0.00 O ATOM 524 CB THR A 53 41.352 14.932 -0.863 1.00 0.00 C ATOM 525 OG1 THR A 53 41.582 14.242 0.362 1.00 0.00 O ATOM 526 CG2 THR A 53 40.856 16.352 -0.534 1.00 0.00 C ATOM 0 H THR A 53 41.742 12.683 -1.890 1.00 0.00 H new ATOM 0 HA THR A 53 39.415 14.151 -1.091 1.00 0.00 H new ATOM 0 HB THR A 53 42.274 14.989 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 53 42.081 13.418 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 53 41.606 16.870 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.686 16.902 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.924 16.291 0.028 1.00 0.00 H new ATOM 529 N THR A 54 41.092 15.045 -3.875 1.00 0.00 N ATOM 530 CA THR A 54 40.932 15.699 -5.152 1.00 0.00 C ATOM 531 C THR A 54 41.994 15.158 -6.080 1.00 0.00 C ATOM 532 O THR A 54 43.180 15.455 -5.919 1.00 0.00 O ATOM 533 CB THR A 54 41.060 17.219 -5.111 1.00 0.00 C ATOM 534 OG1 THR A 54 40.118 17.769 -4.200 1.00 0.00 O ATOM 535 CG2 THR A 54 40.753 17.804 -6.509 1.00 0.00 C ATOM 0 H THR A 54 42.037 14.708 -3.693 1.00 0.00 H new ATOM 0 HA THR A 54 39.916 15.490 -5.488 1.00 0.00 H new ATOM 0 HB THR A 54 42.075 17.467 -4.800 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.212 18.744 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 54 40.845 18.890 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 54 41.459 17.401 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 54 39.738 17.534 -6.801 1.00 0.00 H new ATOM 538 N GLN A 55 41.577 14.311 -7.048 1.00 0.00 N ATOM 539 CA GLN A 55 42.477 13.748 -8.026 1.00 0.00 C ATOM 540 C GLN A 55 42.617 14.717 -9.179 1.00 0.00 C ATOM 541 O GLN A 55 41.620 15.241 -9.681 1.00 0.00 O ATOM 542 CB GLN A 55 42.012 12.375 -8.567 1.00 0.00 C ATOM 543 CG GLN A 55 42.983 11.691 -9.540 1.00 0.00 C ATOM 544 CD GLN A 55 42.473 10.286 -9.832 1.00 0.00 C ATOM 545 OE1 GLN A 55 41.461 10.087 -10.502 1.00 0.00 O ATOM 546 NE2 GLN A 55 43.193 9.265 -9.301 1.00 0.00 N ATOM 0 H GLN A 55 40.608 14.012 -7.156 1.00 0.00 H new ATOM 0 HA GLN A 55 43.432 13.583 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 55 41.841 11.709 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 55 41.053 12.506 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 55 43.059 12.265 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 55 43.983 11.648 -9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 44.028 9.463 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 42.899 8.300 -9.453 1.00 0.00 H new ATOM 550 N HIS A 56 43.879 14.984 -9.591 1.00 0.00 N ATOM 551 CA HIS A 56 44.215 15.877 -10.677 1.00 0.00 C ATOM 552 C HIS A 56 44.135 15.168 -12.000 1.00 0.00 C ATOM 553 O HIS A 56 44.516 14.000 -12.112 1.00 0.00 O ATOM 554 CB HIS A 56 45.633 16.471 -10.555 1.00 0.00 C ATOM 555 CG HIS A 56 45.789 17.390 -9.379 1.00 0.00 C ATOM 556 ND1 HIS A 56 45.354 18.697 -9.345 1.00 0.00 N ATOM 557 CD2 HIS A 56 46.338 17.152 -8.156 1.00 0.00 C ATOM 558 CE1 HIS A 56 45.658 19.179 -8.114 1.00 0.00 C ATOM 559 NE2 HIS A 56 46.256 18.278 -7.356 1.00 0.00 N ATOM 0 H HIS A 56 44.698 14.563 -9.153 1.00 0.00 H new ATOM 0 HA HIS A 56 43.487 16.686 -10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 56 46.355 15.658 -10.471 1.00 0.00 H new ATOM 0 HB3 HIS A 56 45.872 17.016 -11.468 1.00 0.00 H new ATOM 0 HD2 HIS A 56 46.777 16.213 -7.852 1.00 0.00 H new ATOM 0 HE1 HIS A 56 45.436 20.185 -7.791 1.00 0.00 H new ATOM 0 HE2 HIS A 56 46.584 18.388 -6.396 1.00 0.00 H new ATOM 561 N HIS A 57 43.616 15.873 -13.034 1.00 0.00 N ATOM 562 CA HIS A 57 43.488 15.323 -14.356 1.00 0.00 C ATOM 563 C HIS A 57 43.910 16.427 -15.324 1.00 0.00 C ATOM 564 O HIS A 57 43.294 17.527 -15.314 1.00 0.00 O ATOM 565 CB HIS A 57 42.050 14.890 -14.722 1.00 0.00 C ATOM 566 CG HIS A 57 41.602 13.640 -14.021 1.00 0.00 C ATOM 567 ND1 HIS A 57 40.720 13.630 -12.962 1.00 0.00 N ATOM 568 CD2 HIS A 57 41.937 12.340 -14.238 1.00 0.00 C ATOM 569 CE1 HIS A 57 40.567 12.334 -12.594 1.00 0.00 C ATOM 570 NE2 HIS A 57 41.286 11.513 -13.340 1.00 0.00 N ATOM 571 OXT HIS A 57 44.875 16.181 -16.090 1.00 0.00 O ATOM 0 H HIS A 57 43.283 16.833 -12.950 1.00 0.00 H new ATOM 0 HA HIS A 57 44.103 14.425 -14.410 1.00 0.00 H new ATOM 0 HB2 HIS A 57 41.362 15.700 -14.478 1.00 0.00 H new ATOM 0 HB3 HIS A 57 41.989 14.734 -15.799 1.00 0.00 H new ATOM 0 HD2 HIS A 57 42.617 12.000 -15.005 1.00 0.00 H new ATOM 0 HE1 HIS A 57 39.931 12.010 -11.784 1.00 0.00 H new ATOM 0 HE2 HIS A 57 41.347 10.497 -13.269 1.00 0.00 H new TER 573 HIS A 57