USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0788 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0798) 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= -0.189 K(o=-0.19,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -1.79 X(o=-1.8,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0.837 (180deg=0.829) USER MOD Single : A 23 SER OG : rot 74:sc= 0.0786 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 65:sc= 0.597 USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.438 (180deg=0.363) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.0534 (180deg=-0.282) 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= -0.319 K(o=-0.32,f=-3.6!) USER MOD Single : A 43 THR OG1 : rot -115:sc= 1.21 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= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.88) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.612 K(o=-0.61,f=-4.6!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 61.130 10.056 -20.396 1.00 0.00 N ATOM 2 CA ALA A 1 59.790 10.381 -20.923 1.00 0.00 C ATOM 3 C ALA A 1 58.735 10.240 -19.835 1.00 0.00 C ATOM 4 O ALA A 1 58.940 9.527 -18.854 1.00 0.00 O ATOM 5 CB ALA A 1 59.455 9.492 -22.106 1.00 0.00 C ATOM 0 H1 ALA A 1 61.723 10.910 -20.404 1.00 0.00 H new ATOM 0 H2 ALA A 1 61.044 9.704 -19.421 1.00 0.00 H new ATOM 0 H3 ALA A 1 61.569 9.325 -20.991 1.00 0.00 H new ATOM 0 HA ALA A 1 59.797 11.418 -21.260 1.00 0.00 H new ATOM 0 HB1 ALA A 1 58.464 9.745 -22.482 1.00 0.00 H new ATOM 0 HB2 ALA A 1 60.192 9.643 -22.895 1.00 0.00 H new ATOM 0 HB3 ALA A 1 59.468 8.448 -21.792 1.00 0.00 H new ATOM 13 N SER A 2 57.611 10.923 -20.009 1.00 0.00 N ATOM 14 CA SER A 2 56.536 10.888 -19.030 1.00 0.00 C ATOM 15 C SER A 2 55.526 9.784 -19.360 1.00 0.00 C ATOM 16 O SER A 2 55.251 8.905 -18.536 1.00 0.00 O ATOM 17 CB SER A 2 55.824 12.244 -18.995 1.00 0.00 C ATOM 18 OG SER A 2 56.758 13.312 -18.913 1.00 0.00 O ATOM 0 H SER A 2 57.421 11.509 -20.822 1.00 0.00 H new ATOM 0 HA SER A 2 56.970 10.675 -18.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 55.212 12.360 -19.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.149 12.281 -18.140 1.00 0.00 H new ATOM 0 HG SER A 2 56.278 14.166 -18.894 1.00 0.00 H new ATOM 24 N MET A 3 54.989 9.832 -20.570 1.00 0.00 N ATOM 25 CA MET A 3 53.972 8.885 -21.002 1.00 0.00 C ATOM 26 C MET A 3 54.606 7.728 -21.764 1.00 0.00 C ATOM 27 O MET A 3 54.427 6.558 -21.399 1.00 0.00 O ATOM 28 CB MET A 3 52.928 9.608 -21.877 1.00 0.00 C ATOM 29 CG MET A 3 51.652 8.812 -22.160 1.00 0.00 C ATOM 30 SD MET A 3 51.890 7.450 -23.321 1.00 0.00 S ATOM 31 CE MET A 3 50.206 6.856 -23.488 1.00 0.00 C ATOM 0 H MET A 3 55.244 10.523 -21.276 1.00 0.00 H new ATOM 0 HA MET A 3 53.473 8.475 -20.124 1.00 0.00 H new ATOM 0 HB2 MET A 3 52.653 10.543 -21.389 1.00 0.00 H new ATOM 0 HB3 MET A 3 53.393 9.869 -22.828 1.00 0.00 H new ATOM 0 HG2 MET A 3 51.266 8.414 -21.221 1.00 0.00 H new ATOM 0 HG3 MET A 3 50.893 9.487 -22.556 1.00 0.00 H new ATOM 0 HE1 MET A 3 50.185 6.011 -24.176 1.00 0.00 H new ATOM 0 HE2 MET A 3 49.833 6.540 -22.514 1.00 0.00 H new ATOM 0 HE3 MET A 3 49.575 7.656 -23.876 1.00 0.00 H new ATOM 41 N GLY A 4 55.363 8.057 -22.811 1.00 0.00 N ATOM 42 CA GLY A 4 56.003 7.040 -23.638 1.00 0.00 C ATOM 43 C GLY A 4 57.191 6.396 -22.956 1.00 0.00 C ATOM 44 O GLY A 4 58.333 6.571 -23.380 1.00 0.00 O ATOM 0 H GLY A 4 55.546 9.017 -23.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.273 6.271 -23.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.328 7.491 -24.575 1.00 0.00 H new ATOM 48 N LYS A 5 56.913 5.649 -21.908 1.00 0.00 N ATOM 49 CA LYS A 5 57.930 4.971 -21.124 1.00 0.00 C ATOM 50 C LYS A 5 57.257 4.102 -20.078 1.00 0.00 C ATOM 51 O LYS A 5 57.760 3.033 -19.726 1.00 0.00 O ATOM 52 CB LYS A 5 58.848 5.993 -20.437 1.00 0.00 C ATOM 53 CG LYS A 5 60.025 5.382 -19.691 1.00 0.00 C ATOM 54 CD LYS A 5 60.963 4.651 -20.638 1.00 0.00 C ATOM 55 CE LYS A 5 62.210 4.158 -19.922 1.00 0.00 C ATOM 56 NZ LYS A 5 61.891 3.195 -18.841 1.00 0.00 N ATOM 0 H LYS A 5 55.963 5.492 -21.571 1.00 0.00 H new ATOM 0 HA LYS A 5 58.535 4.351 -21.785 1.00 0.00 H new ATOM 0 HB2 LYS A 5 59.230 6.683 -21.189 1.00 0.00 H new ATOM 0 HB3 LYS A 5 58.256 6.581 -19.736 1.00 0.00 H new ATOM 0 HG2 LYS A 5 60.572 6.166 -19.167 1.00 0.00 H new ATOM 0 HG3 LYS A 5 59.658 4.689 -18.934 1.00 0.00 H new ATOM 0 HD2 LYS A 5 60.442 3.805 -21.086 1.00 0.00 H new ATOM 0 HD3 LYS A 5 61.250 5.316 -21.452 1.00 0.00 H new ATOM 0 HE2 LYS A 5 62.877 3.685 -20.642 1.00 0.00 H new ATOM 0 HE3 LYS A 5 62.746 5.009 -19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 62.773 2.796 -18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 61.376 3.684 -18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 61.301 2.428 -19.222 1.00 0.00 H new ATOM 70 N SER A 6 56.101 4.583 -19.598 1.00 0.00 N ATOM 71 CA SER A 6 55.307 3.904 -18.573 1.00 0.00 C ATOM 72 C SER A 6 55.964 4.017 -17.198 1.00 0.00 C ATOM 73 O SER A 6 57.179 4.218 -17.084 1.00 0.00 O ATOM 74 CB SER A 6 55.049 2.438 -18.946 1.00 0.00 C ATOM 75 OG SER A 6 54.415 2.346 -20.215 1.00 0.00 O ATOM 0 H SER A 6 55.691 5.461 -19.915 1.00 0.00 H new ATOM 0 HA SER A 6 54.341 4.406 -18.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 55.992 1.891 -18.965 1.00 0.00 H new ATOM 0 HB3 SER A 6 54.423 1.969 -18.187 1.00 0.00 H new ATOM 0 HG SER A 6 54.260 1.404 -20.436 1.00 0.00 H new ATOM 81 N LYS A 7 55.161 3.912 -16.159 1.00 0.00 N ATOM 82 CA LYS A 7 55.652 4.042 -14.803 1.00 0.00 C ATOM 83 C LYS A 7 55.113 2.932 -13.923 1.00 0.00 C ATOM 84 O LYS A 7 54.016 2.417 -14.152 1.00 0.00 O ATOM 85 CB LYS A 7 55.269 5.406 -14.219 1.00 0.00 C ATOM 86 CG LYS A 7 55.888 6.588 -14.950 1.00 0.00 C ATOM 87 CD LYS A 7 55.435 7.909 -14.354 1.00 0.00 C ATOM 88 CE LYS A 7 56.079 9.083 -15.069 1.00 0.00 C ATOM 89 NZ LYS A 7 55.639 10.379 -14.506 1.00 0.00 N ATOM 0 H LYS A 7 54.159 3.736 -16.229 1.00 0.00 H new ATOM 0 HA LYS A 7 56.739 3.964 -14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 7 54.184 5.507 -14.240 1.00 0.00 H new ATOM 0 HB3 LYS A 7 55.572 5.440 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 7 56.975 6.519 -14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 7 55.613 6.550 -16.004 1.00 0.00 H new ATOM 0 HD2 LYS A 7 54.350 7.989 -14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 7 55.691 7.940 -13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 7 57.164 9.004 -14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 7 55.829 9.044 -16.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 56.101 11.156 -15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 54.607 10.466 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 55.900 10.427 -13.500 1.00 0.00 H new ATOM 103 N GLU A 8 55.888 2.565 -12.934 1.00 0.00 N ATOM 104 CA GLU A 8 55.503 1.539 -11.991 1.00 0.00 C ATOM 105 C GLU A 8 54.901 2.160 -10.734 1.00 0.00 C ATOM 106 O GLU A 8 55.043 3.359 -10.491 1.00 0.00 O ATOM 107 CB GLU A 8 56.703 0.635 -11.635 1.00 0.00 C ATOM 108 CG GLU A 8 58.019 1.375 -11.380 1.00 0.00 C ATOM 109 CD GLU A 8 58.727 1.780 -12.662 1.00 0.00 C ATOM 110 OE1 GLU A 8 59.431 0.933 -13.251 1.00 0.00 O ATOM 111 OE2 GLU A 8 58.578 2.945 -13.093 1.00 0.00 O ATOM 0 H GLU A 8 56.808 2.969 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 8 54.742 0.916 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 8 56.451 0.056 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 8 56.855 -0.077 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 8 57.820 2.266 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 8 58.680 0.739 -10.791 1.00 0.00 H new ATOM 118 N ILE A 9 54.224 1.349 -9.950 1.00 0.00 N ATOM 119 CA ILE A 9 53.589 1.815 -8.731 1.00 0.00 C ATOM 120 C ILE A 9 54.568 1.753 -7.563 1.00 0.00 C ATOM 121 O ILE A 9 55.315 0.781 -7.415 1.00 0.00 O ATOM 122 CB ILE A 9 52.320 0.980 -8.401 1.00 0.00 C ATOM 123 CG1 ILE A 9 51.293 1.084 -9.541 1.00 0.00 C ATOM 124 CG2 ILE A 9 51.695 1.418 -7.076 1.00 0.00 C ATOM 125 CD1 ILE A 9 50.802 2.495 -9.808 1.00 0.00 C ATOM 0 H ILE A 9 54.097 0.354 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 9 53.286 2.850 -8.890 1.00 0.00 H new ATOM 0 HB ILE A 9 52.624 -0.062 -8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 9 51.738 0.687 -10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 9 50.437 0.452 -9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 9 50.810 0.815 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 9 52.417 1.283 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 9 51.412 2.469 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 9 50.081 2.481 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE A 9 50.325 2.890 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 51.646 3.129 -10.079 1.00 0.00 H new ATOM 137 N SER A 10 54.577 2.797 -6.760 1.00 0.00 N ATOM 138 CA SER A 10 55.439 2.863 -5.602 1.00 0.00 C ATOM 139 C SER A 10 54.783 2.174 -4.408 1.00 0.00 C ATOM 140 O SER A 10 53.562 2.257 -4.221 1.00 0.00 O ATOM 141 CB SER A 10 55.738 4.321 -5.264 1.00 0.00 C ATOM 142 OG SER A 10 56.299 4.996 -6.378 1.00 0.00 O ATOM 0 H SER A 10 53.989 3.620 -6.892 1.00 0.00 H new ATOM 0 HA SER A 10 56.372 2.348 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 54.821 4.822 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 10 56.427 4.369 -4.421 1.00 0.00 H new ATOM 0 HG SER A 10 56.480 5.929 -6.138 1.00 0.00 H new ATOM 148 N GLN A 11 55.592 1.505 -3.597 1.00 0.00 N ATOM 149 CA GLN A 11 55.092 0.813 -2.416 1.00 0.00 C ATOM 150 C GLN A 11 54.634 1.813 -1.372 1.00 0.00 C ATOM 151 O GLN A 11 53.867 1.477 -0.480 1.00 0.00 O ATOM 152 CB GLN A 11 56.154 -0.124 -1.821 1.00 0.00 C ATOM 153 CG GLN A 11 56.470 -1.345 -2.680 1.00 0.00 C ATOM 154 CD GLN A 11 57.205 -0.998 -3.961 1.00 0.00 C ATOM 155 OE1 GLN A 11 57.979 -0.037 -4.013 1.00 0.00 O ATOM 156 NE2 GLN A 11 56.966 -1.766 -4.996 1.00 0.00 N ATOM 0 H GLN A 11 56.599 1.427 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 11 54.242 0.204 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 11 57.072 0.441 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 11 55.815 -0.462 -0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 11 57.073 -2.043 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 11 55.540 -1.857 -2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 11 56.319 -2.550 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 11 57.427 -1.579 -5.887 1.00 0.00 H new ATOM 165 N ASP A 12 55.116 3.046 -1.501 1.00 0.00 N ATOM 166 CA ASP A 12 54.737 4.143 -0.609 1.00 0.00 C ATOM 167 C ASP A 12 53.219 4.264 -0.524 1.00 0.00 C ATOM 168 O ASP A 12 52.658 4.422 0.558 1.00 0.00 O ATOM 169 CB ASP A 12 55.339 5.458 -1.118 1.00 0.00 C ATOM 170 CG ASP A 12 54.962 6.663 -0.269 1.00 0.00 C ATOM 171 OD1 ASP A 12 53.925 7.298 -0.557 1.00 0.00 O ATOM 172 OD2 ASP A 12 55.716 6.995 0.673 1.00 0.00 O ATOM 0 H ASP A 12 55.781 3.315 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 12 55.124 3.932 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 12 56.425 5.366 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 12 55.009 5.627 -2.143 1.00 0.00 H new ATOM 177 N LEU A 13 52.564 4.156 -1.674 1.00 0.00 N ATOM 178 CA LEU A 13 51.113 4.243 -1.753 1.00 0.00 C ATOM 179 C LEU A 13 50.468 3.045 -1.051 1.00 0.00 C ATOM 180 O LEU A 13 49.526 3.201 -0.270 1.00 0.00 O ATOM 181 CB LEU A 13 50.675 4.321 -3.239 1.00 0.00 C ATOM 182 CG LEU A 13 49.177 4.584 -3.532 1.00 0.00 C ATOM 183 CD1 LEU A 13 48.342 3.318 -3.380 1.00 0.00 C ATOM 184 CD2 LEU A 13 48.638 5.689 -2.633 1.00 0.00 C ATOM 0 H LEU A 13 53.022 4.006 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 13 50.778 5.147 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 13 51.255 5.109 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 13 50.952 3.383 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 13 49.100 4.908 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 13 47.297 3.543 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 48.700 2.560 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 48.431 2.944 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 47.584 5.858 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 13 48.746 5.394 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 13 49.198 6.607 -2.810 1.00 0.00 H new ATOM 196 N ARG A 14 51.000 1.857 -1.319 1.00 0.00 N ATOM 197 CA ARG A 14 50.469 0.626 -0.740 1.00 0.00 C ATOM 198 C ARG A 14 50.630 0.629 0.778 1.00 0.00 C ATOM 199 O ARG A 14 49.741 0.206 1.503 1.00 0.00 O ATOM 200 CB ARG A 14 51.166 -0.598 -1.347 1.00 0.00 C ATOM 201 CG ARG A 14 50.510 -1.924 -0.983 1.00 0.00 C ATOM 202 CD ARG A 14 51.231 -3.103 -1.620 1.00 0.00 C ATOM 203 NE ARG A 14 52.565 -3.313 -1.050 1.00 0.00 N ATOM 204 CZ ARG A 14 53.501 -4.107 -1.583 1.00 0.00 C ATOM 205 NH1 ARG A 14 53.261 -4.756 -2.721 1.00 0.00 N ATOM 206 NH2 ARG A 14 54.673 -4.254 -0.967 1.00 0.00 N ATOM 0 H ARG A 14 51.801 1.720 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 14 49.406 0.572 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 14 51.179 -0.496 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 14 52.204 -0.614 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 14 50.506 -2.042 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 14 49.469 -1.916 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 14 50.635 -4.006 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 14 51.319 -2.935 -2.693 1.00 0.00 H new ATOM 0 HE ARG A 14 52.796 -2.820 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 14 52.361 -4.649 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 14 53.977 -5.360 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 14 54.854 -3.762 -0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 14 55.389 -4.858 -1.370 1.00 0.00 H new ATOM 220 N LYS A 15 51.763 1.116 1.244 1.00 0.00 N ATOM 221 CA LYS A 15 52.034 1.197 2.671 1.00 0.00 C ATOM 222 C LYS A 15 51.178 2.282 3.321 1.00 0.00 C ATOM 223 O LYS A 15 50.705 2.125 4.448 1.00 0.00 O ATOM 224 CB LYS A 15 53.516 1.493 2.910 1.00 0.00 C ATOM 225 CG LYS A 15 54.452 0.381 2.459 1.00 0.00 C ATOM 226 CD LYS A 15 55.910 0.824 2.500 1.00 0.00 C ATOM 227 CE LYS A 15 56.328 1.258 3.896 1.00 0.00 C ATOM 228 NZ LYS A 15 57.742 1.704 3.938 1.00 0.00 N ATOM 0 H LYS A 15 52.517 1.465 0.653 1.00 0.00 H new ATOM 0 HA LYS A 15 51.783 0.237 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.781 2.411 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 15 53.672 1.676 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 15 54.318 -0.491 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 15 54.192 0.075 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 15 56.548 0.006 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 15 56.059 1.648 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 55.682 2.069 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 15 56.188 0.430 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 57.987 1.991 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 58.361 0.923 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 57.871 2.511 3.295 1.00 0.00 H new ATOM 242 N LYS A 16 50.975 3.371 2.590 1.00 0.00 N ATOM 243 CA LYS A 16 50.200 4.503 3.077 1.00 0.00 C ATOM 244 C LYS A 16 48.770 4.096 3.389 1.00 0.00 C ATOM 245 O LYS A 16 48.277 4.338 4.490 1.00 0.00 O ATOM 246 CB LYS A 16 50.213 5.635 2.044 1.00 0.00 C ATOM 247 CG LYS A 16 49.473 6.892 2.483 1.00 0.00 C ATOM 248 CD LYS A 16 49.578 7.996 1.436 1.00 0.00 C ATOM 249 CE LYS A 16 51.024 8.404 1.202 1.00 0.00 C ATOM 250 NZ LYS A 16 51.142 9.541 0.259 1.00 0.00 N ATOM 0 H LYS A 16 51.342 3.493 1.646 1.00 0.00 H new ATOM 0 HA LYS A 16 50.660 4.856 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 16 51.248 5.896 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 49.769 5.271 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 16 48.424 6.655 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 16 49.883 7.246 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 16 49.139 7.654 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 16 49.002 8.863 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.481 8.675 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 16 51.581 7.552 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.145 9.783 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 50.730 9.275 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 50.634 10.364 0.642 1.00 0.00 H new ATOM 264 N ILE A 17 48.111 3.462 2.427 1.00 0.00 N ATOM 265 CA ILE A 17 46.731 3.047 2.613 1.00 0.00 C ATOM 266 C ILE A 17 46.604 2.080 3.806 1.00 0.00 C ATOM 267 O ILE A 17 45.671 2.188 4.602 1.00 0.00 O ATOM 268 CB ILE A 17 46.126 2.421 1.311 1.00 0.00 C ATOM 269 CG1 ILE A 17 44.634 2.110 1.485 1.00 0.00 C ATOM 270 CG2 ILE A 17 46.882 1.175 0.883 1.00 0.00 C ATOM 271 CD1 ILE A 17 43.768 3.339 1.674 1.00 0.00 C ATOM 0 H ILE A 17 48.508 3.226 1.518 1.00 0.00 H new ATOM 0 HA ILE A 17 46.150 3.942 2.836 1.00 0.00 H new ATOM 0 HB ILE A 17 46.232 3.164 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 17 44.283 1.561 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 17 44.508 1.453 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 17 46.432 0.770 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 17 47.924 1.430 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 17 46.833 0.429 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 17 42.727 3.036 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 17 44.091 3.878 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 17 43.862 3.988 0.803 1.00 0.00 H new ATOM 283 N VAL A 18 47.572 1.174 3.949 1.00 0.00 N ATOM 284 CA VAL A 18 47.569 0.216 5.052 1.00 0.00 C ATOM 285 C VAL A 18 47.712 0.930 6.395 1.00 0.00 C ATOM 286 O VAL A 18 46.920 0.703 7.318 1.00 0.00 O ATOM 287 CB VAL A 18 48.706 -0.829 4.907 1.00 0.00 C ATOM 288 CG1 VAL A 18 48.748 -1.760 6.114 1.00 0.00 C ATOM 289 CG2 VAL A 18 48.533 -1.631 3.632 1.00 0.00 C ATOM 0 H VAL A 18 48.366 1.084 3.315 1.00 0.00 H new ATOM 0 HA VAL A 18 46.611 -0.303 5.017 1.00 0.00 H new ATOM 0 HB VAL A 18 49.653 -0.291 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 18 49.554 -2.483 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 48.923 -1.176 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 47.798 -2.287 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 18 49.340 -2.359 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 47.576 -2.152 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 18 48.559 -0.960 2.774 1.00 0.00 H new ATOM 299 N ASP A 19 48.708 1.804 6.493 1.00 0.00 N ATOM 300 CA ASP A 19 48.971 2.531 7.734 1.00 0.00 C ATOM 301 C ASP A 19 47.804 3.407 8.142 1.00 0.00 C ATOM 302 O ASP A 19 47.487 3.511 9.330 1.00 0.00 O ATOM 303 CB ASP A 19 50.257 3.356 7.644 1.00 0.00 C ATOM 304 CG ASP A 19 51.490 2.526 7.938 1.00 0.00 C ATOM 305 OD1 ASP A 19 51.577 1.954 9.051 1.00 0.00 O ATOM 306 OD2 ASP A 19 52.378 2.435 7.067 1.00 0.00 O ATOM 0 H ASP A 19 49.347 2.027 5.730 1.00 0.00 H new ATOM 0 HA ASP A 19 49.105 1.777 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.341 3.788 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.204 4.187 8.348 1.00 0.00 H new ATOM 311 N LEU A 20 47.152 4.026 7.173 1.00 0.00 N ATOM 312 CA LEU A 20 46.005 4.868 7.469 1.00 0.00 C ATOM 313 C LEU A 20 44.801 4.040 7.904 1.00 0.00 C ATOM 314 O LEU A 20 43.957 4.521 8.659 1.00 0.00 O ATOM 315 CB LEU A 20 45.651 5.786 6.295 1.00 0.00 C ATOM 316 CG LEU A 20 46.370 7.150 6.263 1.00 0.00 C ATOM 317 CD1 LEU A 20 46.100 7.930 7.541 1.00 0.00 C ATOM 318 CD2 LEU A 20 47.866 6.980 6.049 1.00 0.00 C ATOM 0 H LEU A 20 47.393 3.963 6.184 1.00 0.00 H new ATOM 0 HA LEU A 20 46.288 5.507 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 20 45.873 5.259 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 20 44.576 5.965 6.311 1.00 0.00 H new ATOM 0 HG LEU A 20 45.972 7.716 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 46.616 8.889 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 20 45.028 8.099 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 20 46.462 7.361 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 20 48.345 7.959 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 20 48.285 6.386 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 48.043 6.473 5.101 1.00 0.00 H new ATOM 330 N HIS A 21 44.721 2.795 7.430 1.00 0.00 N ATOM 331 CA HIS A 21 43.648 1.888 7.857 1.00 0.00 C ATOM 332 C HIS A 21 43.833 1.518 9.312 1.00 0.00 C ATOM 333 O HIS A 21 42.881 1.508 10.089 1.00 0.00 O ATOM 334 CB HIS A 21 43.611 0.610 7.012 1.00 0.00 C ATOM 335 CG HIS A 21 42.827 0.736 5.745 1.00 0.00 C ATOM 336 ND1 HIS A 21 41.472 0.989 5.721 1.00 0.00 N ATOM 337 CD2 HIS A 21 43.210 0.649 4.456 1.00 0.00 C ATOM 338 CE1 HIS A 21 41.059 1.053 4.476 1.00 0.00 C ATOM 339 NE2 HIS A 21 42.095 0.851 3.685 1.00 0.00 N ATOM 0 H HIS A 21 45.376 2.393 6.759 1.00 0.00 H new ATOM 0 HA HIS A 21 42.703 2.414 7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.633 0.320 6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 21 43.186 -0.196 7.610 1.00 0.00 H new ATOM 0 HD1 HIS A 21 40.881 1.108 6.544 1.00 0.00 H new ATOM 0 HD2 HIS A 21 44.210 0.456 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 21 40.045 1.239 4.155 1.00 0.00 H new ATOM 347 N LYS A 22 45.074 1.225 9.671 1.00 0.00 N ATOM 348 CA LYS A 22 45.429 0.856 11.032 1.00 0.00 C ATOM 349 C LYS A 22 45.069 1.967 12.012 1.00 0.00 C ATOM 350 O LYS A 22 44.514 1.708 13.077 1.00 0.00 O ATOM 351 CB LYS A 22 46.918 0.541 11.104 1.00 0.00 C ATOM 352 CG LYS A 22 47.313 -0.712 10.330 1.00 0.00 C ATOM 353 CD LYS A 22 48.789 -0.704 9.968 1.00 0.00 C ATOM 354 CE LYS A 22 49.669 -0.522 11.191 1.00 0.00 C ATOM 355 NZ LYS A 22 51.092 -0.322 10.826 1.00 0.00 N ATOM 0 H LYS A 22 45.864 1.237 9.026 1.00 0.00 H new ATOM 0 HA LYS A 22 44.861 -0.031 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.480 1.390 10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.205 0.419 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 22 47.089 -1.595 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 22 46.715 -0.783 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 22 49.046 -1.639 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 22 48.984 0.099 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 22 49.318 0.335 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 22 49.579 -1.396 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.650 -0.151 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 51.450 -1.172 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 51.176 0.497 10.191 1.00 0.00 H new ATOM 369 N SER A 23 45.385 3.201 11.645 1.00 0.00 N ATOM 370 CA SER A 23 45.051 4.347 12.474 1.00 0.00 C ATOM 371 C SER A 23 43.544 4.620 12.423 1.00 0.00 C ATOM 372 O SER A 23 42.925 4.941 13.438 1.00 0.00 O ATOM 373 CB SER A 23 45.835 5.573 12.011 1.00 0.00 C ATOM 374 OG SER A 23 47.224 5.297 11.986 1.00 0.00 O ATOM 0 H SER A 23 45.872 3.433 10.779 1.00 0.00 H new ATOM 0 HA SER A 23 45.324 4.128 13.506 1.00 0.00 H new ATOM 0 HB2 SER A 23 45.500 5.871 11.018 1.00 0.00 H new ATOM 0 HB3 SER A 23 45.637 6.411 12.679 1.00 0.00 H new ATOM 0 HG SER A 23 47.429 4.718 11.222 1.00 0.00 H new ATOM 380 N GLY A 24 42.966 4.479 11.231 1.00 0.00 N ATOM 381 CA GLY A 24 41.542 4.680 11.058 1.00 0.00 C ATOM 382 C GLY A 24 41.117 6.118 11.272 1.00 0.00 C ATOM 383 O GLY A 24 40.349 6.412 12.191 1.00 0.00 O ATOM 0 H GLY A 24 43.466 4.227 10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 41.256 4.368 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 24 41.003 4.040 11.756 1.00 0.00 H new ATOM 387 N SER A 25 41.612 7.018 10.432 1.00 0.00 N ATOM 388 CA SER A 25 41.255 8.419 10.546 1.00 0.00 C ATOM 389 C SER A 25 41.167 9.106 9.175 1.00 0.00 C ATOM 390 O SER A 25 40.077 9.351 8.669 1.00 0.00 O ATOM 391 CB SER A 25 42.246 9.161 11.460 1.00 0.00 C ATOM 392 OG SER A 25 41.872 10.522 11.623 1.00 0.00 O ATOM 0 H SER A 25 42.256 6.802 9.671 1.00 0.00 H new ATOM 0 HA SER A 25 40.263 8.463 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 25 42.284 8.672 12.433 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.249 9.105 11.036 1.00 0.00 H new ATOM 0 HG SER A 25 42.517 10.970 12.209 1.00 0.00 H new ATOM 398 N SER A 26 42.321 9.375 8.565 1.00 0.00 N ATOM 399 CA SER A 26 42.391 10.142 7.312 1.00 0.00 C ATOM 400 C SER A 26 42.010 9.323 6.058 1.00 0.00 C ATOM 401 O SER A 26 42.571 9.538 4.983 1.00 0.00 O ATOM 402 CB SER A 26 43.799 10.711 7.155 1.00 0.00 C ATOM 403 OG SER A 26 44.209 11.370 8.343 1.00 0.00 O ATOM 0 H SER A 26 43.229 9.072 8.918 1.00 0.00 H new ATOM 0 HA SER A 26 41.652 10.940 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 26 44.497 9.908 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 26 43.823 11.410 6.319 1.00 0.00 H new ATOM 0 HG SER A 26 45.114 11.726 8.224 1.00 0.00 H new ATOM 409 N LEU A 27 41.040 8.430 6.183 1.00 0.00 N ATOM 410 CA LEU A 27 40.593 7.639 5.033 1.00 0.00 C ATOM 411 C LEU A 27 39.863 8.532 4.036 1.00 0.00 C ATOM 412 O LEU A 27 40.011 8.382 2.816 1.00 0.00 O ATOM 413 CB LEU A 27 39.687 6.470 5.461 1.00 0.00 C ATOM 414 CG LEU A 27 40.380 5.256 6.111 1.00 0.00 C ATOM 415 CD1 LEU A 27 41.499 4.728 5.226 1.00 0.00 C ATOM 416 CD2 LEU A 27 40.904 5.596 7.495 1.00 0.00 C ATOM 0 H LEU A 27 40.549 8.232 7.055 1.00 0.00 H new ATOM 0 HA LEU A 27 41.478 7.214 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 27 38.946 6.854 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.144 6.121 4.582 1.00 0.00 H new ATOM 0 HG LEU A 27 39.633 4.470 6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 27 41.971 3.872 5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 41.088 4.422 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 27 42.241 5.512 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 27 41.387 4.719 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 27 41.626 6.409 7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 27 40.075 5.904 8.132 1.00 0.00 H new ATOM 428 N GLY A 28 39.089 9.474 4.565 1.00 0.00 N ATOM 429 CA GLY A 28 38.380 10.412 3.726 1.00 0.00 C ATOM 430 C GLY A 28 39.332 11.276 2.932 1.00 0.00 C ATOM 431 O GLY A 28 39.041 11.656 1.796 1.00 0.00 O ATOM 0 H GLY A 28 38.942 9.602 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 28 37.725 9.869 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 28 37.743 11.044 4.344 1.00 0.00 H new ATOM 435 N ALA A 29 40.479 11.577 3.526 1.00 0.00 N ATOM 436 CA ALA A 29 41.499 12.372 2.867 1.00 0.00 C ATOM 437 C ALA A 29 42.050 11.622 1.663 1.00 0.00 C ATOM 438 O ALA A 29 42.171 12.178 0.572 1.00 0.00 O ATOM 439 CB ALA A 29 42.617 12.708 3.842 1.00 0.00 C ATOM 0 H ALA A 29 40.725 11.279 4.470 1.00 0.00 H new ATOM 0 HA ALA A 29 41.051 13.304 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 29 43.375 13.304 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 29 42.211 13.274 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 29 43.067 11.786 4.211 1.00 0.00 H new ATOM 445 N ILE A 30 42.353 10.342 1.863 1.00 0.00 N ATOM 446 CA ILE A 30 42.880 9.494 0.794 1.00 0.00 C ATOM 447 C ILE A 30 41.880 9.407 -0.360 1.00 0.00 C ATOM 448 O ILE A 30 42.264 9.339 -1.530 1.00 0.00 O ATOM 449 CB ILE A 30 43.186 8.063 1.305 1.00 0.00 C ATOM 450 CG1 ILE A 30 44.118 8.112 2.516 1.00 0.00 C ATOM 451 CG2 ILE A 30 43.807 7.218 0.198 1.00 0.00 C ATOM 452 CD1 ILE A 30 44.411 6.750 3.106 1.00 0.00 C ATOM 0 H ILE A 30 42.243 9.867 2.759 1.00 0.00 H new ATOM 0 HA ILE A 30 43.808 9.949 0.446 1.00 0.00 H new ATOM 0 HB ILE A 30 42.245 7.603 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 30 45.057 8.582 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 30 43.671 8.743 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 30 44.014 6.217 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 30 43.115 7.152 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 30 44.737 7.680 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.078 6.860 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 30 43.479 6.286 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 30 44.887 6.122 2.353 1.00 0.00 H new ATOM 464 N SER A 31 40.600 9.440 -0.021 1.00 0.00 N ATOM 465 CA SER A 31 39.537 9.358 -1.010 1.00 0.00 C ATOM 466 C SER A 31 39.618 10.513 -2.025 1.00 0.00 C ATOM 467 O SER A 31 39.334 10.330 -3.205 1.00 0.00 O ATOM 468 CB SER A 31 38.171 9.350 -0.318 1.00 0.00 C ATOM 469 OG SER A 31 38.069 8.272 0.611 1.00 0.00 O ATOM 0 H SER A 31 40.271 9.524 0.941 1.00 0.00 H new ATOM 0 HA SER A 31 39.663 8.426 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 31 38.018 10.296 0.201 1.00 0.00 H new ATOM 0 HB3 SER A 31 37.382 9.265 -1.066 1.00 0.00 H new ATOM 0 HG SER A 31 38.714 8.403 1.337 1.00 0.00 H new ATOM 475 N LYS A 32 40.022 11.693 -1.568 1.00 0.00 N ATOM 476 CA LYS A 32 40.131 12.839 -2.468 1.00 0.00 C ATOM 477 C LYS A 32 41.548 13.015 -3.008 1.00 0.00 C ATOM 478 O LYS A 32 41.733 13.424 -4.150 1.00 0.00 O ATOM 479 CB LYS A 32 39.661 14.144 -1.800 1.00 0.00 C ATOM 480 CG LYS A 32 38.145 14.332 -1.769 1.00 0.00 C ATOM 481 CD LYS A 32 37.499 13.663 -0.566 1.00 0.00 C ATOM 482 CE LYS A 32 37.825 14.400 0.726 1.00 0.00 C ATOM 483 NZ LYS A 32 37.091 13.834 1.885 1.00 0.00 N ATOM 0 H LYS A 32 40.276 11.882 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 32 39.470 12.624 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 32 40.038 14.170 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.108 14.988 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 32 37.915 15.397 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 32 37.713 13.924 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 32 36.418 13.630 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 37.843 12.631 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 32 38.897 14.347 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 32 37.573 15.455 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 37.134 14.501 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 36.098 13.672 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 37.526 12.932 2.165 1.00 0.00 H new ATOM 497 N ARG A 33 42.545 12.704 -2.195 1.00 0.00 N ATOM 498 CA ARG A 33 43.938 12.905 -2.599 1.00 0.00 C ATOM 499 C ARG A 33 44.454 11.786 -3.508 1.00 0.00 C ATOM 500 O ARG A 33 45.322 12.019 -4.351 1.00 0.00 O ATOM 501 CB ARG A 33 44.847 13.057 -1.375 1.00 0.00 C ATOM 502 CG ARG A 33 44.452 14.204 -0.460 1.00 0.00 C ATOM 503 CD ARG A 33 45.505 14.470 0.606 1.00 0.00 C ATOM 504 NE ARG A 33 45.810 13.281 1.407 1.00 0.00 N ATOM 505 CZ ARG A 33 45.971 13.288 2.734 1.00 0.00 C ATOM 506 NH1 ARG A 33 45.815 14.412 3.421 1.00 0.00 N ATOM 507 NH2 ARG A 33 46.294 12.167 3.372 1.00 0.00 N ATOM 0 H ARG A 33 42.424 12.315 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 33 43.963 13.829 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 33 44.833 12.128 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 33 45.873 13.209 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 33 44.301 15.106 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 33 43.500 13.974 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 33 46.418 14.826 0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 45.158 15.267 1.263 1.00 0.00 H new ATOM 0 HE ARG A 33 45.906 12.390 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 33 45.571 15.276 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 33 45.939 14.412 4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 33 46.419 11.300 2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 33 46.417 12.174 4.385 1.00 0.00 H new ATOM 521 N LEU A 34 43.935 10.578 -3.338 1.00 0.00 N ATOM 522 CA LEU A 34 44.381 9.443 -4.148 1.00 0.00 C ATOM 523 C LEU A 34 43.249 8.847 -4.969 1.00 0.00 C ATOM 524 O LEU A 34 43.475 7.905 -5.725 1.00 0.00 O ATOM 525 CB LEU A 34 45.025 8.343 -3.280 1.00 0.00 C ATOM 526 CG LEU A 34 46.438 8.621 -2.741 1.00 0.00 C ATOM 527 CD1 LEU A 34 47.380 9.043 -3.859 1.00 0.00 C ATOM 528 CD2 LEU A 34 46.414 9.656 -1.634 1.00 0.00 C ATOM 0 H LEU A 34 43.211 10.355 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 34 45.132 9.836 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 34 44.369 8.154 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 34 45.060 7.425 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 34 46.815 7.690 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 48.371 9.233 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 34 47.442 8.248 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 34 47.003 9.951 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 34 47.429 9.829 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 34 46.001 10.589 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 34 45.795 9.295 -0.812 1.00 0.00 H new ATOM 540 N LYS A 35 42.023 9.391 -4.800 1.00 0.00 N ATOM 541 CA LYS A 35 40.810 8.929 -5.535 1.00 0.00 C ATOM 542 C LYS A 35 40.722 7.394 -5.595 1.00 0.00 C ATOM 543 O LYS A 35 40.245 6.815 -6.582 1.00 0.00 O ATOM 544 CB LYS A 35 40.743 9.550 -6.955 1.00 0.00 C ATOM 545 CG LYS A 35 41.869 9.139 -7.897 1.00 0.00 C ATOM 546 CD LYS A 35 41.751 9.833 -9.241 1.00 0.00 C ATOM 547 CE LYS A 35 42.859 9.396 -10.184 1.00 0.00 C ATOM 548 NZ LYS A 35 44.207 9.706 -9.641 1.00 0.00 N ATOM 0 H LYS A 35 41.840 10.160 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 35 39.943 9.279 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 35 39.792 9.275 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 35 40.749 10.636 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 35 42.830 9.382 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 35 41.848 8.059 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 40.782 9.608 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 35 41.794 10.913 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 35 42.779 8.324 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 42.733 9.892 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.915 9.615 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 44.217 10.678 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 44.433 9.042 -8.873 1.00 0.00 H new ATOM 562 N VAL A 36 41.147 6.753 -4.519 1.00 0.00 N ATOM 563 CA VAL A 36 41.185 5.308 -4.444 1.00 0.00 C ATOM 564 C VAL A 36 39.777 4.713 -4.311 1.00 0.00 C ATOM 565 O VAL A 36 39.006 5.089 -3.424 1.00 0.00 O ATOM 566 CB VAL A 36 42.091 4.829 -3.268 1.00 0.00 C ATOM 567 CG1 VAL A 36 41.584 5.348 -1.928 1.00 0.00 C ATOM 568 CG2 VAL A 36 42.209 3.313 -3.250 1.00 0.00 C ATOM 0 H VAL A 36 41.475 7.222 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 36 41.615 4.948 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 36 43.085 5.244 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 36 42.238 4.996 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 36 41.579 6.438 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 36 40.572 4.982 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 36 42.846 3.007 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 36 41.219 2.872 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 36 42.646 2.971 -4.188 1.00 0.00 H new ATOM 578 N PRO A 37 39.410 3.806 -5.222 1.00 0.00 N ATOM 579 CA PRO A 37 38.127 3.135 -5.177 1.00 0.00 C ATOM 580 C PRO A 37 38.147 1.964 -4.205 1.00 0.00 C ATOM 581 O PRO A 37 39.219 1.443 -3.867 1.00 0.00 O ATOM 582 CB PRO A 37 37.944 2.642 -6.609 1.00 0.00 C ATOM 583 CG PRO A 37 39.328 2.402 -7.106 1.00 0.00 C ATOM 584 CD PRO A 37 40.222 3.376 -6.377 1.00 0.00 C ATOM 0 HA PRO A 37 37.322 3.785 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.348 1.730 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.427 3.382 -7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.636 1.374 -6.914 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.385 2.555 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.151 2.904 -6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.494 4.220 -7.011 1.00 0.00 H new ATOM 592 N ARG A 38 36.970 1.547 -3.760 1.00 0.00 N ATOM 593 CA ARG A 38 36.855 0.425 -2.835 1.00 0.00 C ATOM 594 C ARG A 38 37.442 -0.842 -3.440 1.00 0.00 C ATOM 595 O ARG A 38 37.876 -1.735 -2.721 1.00 0.00 O ATOM 596 CB ARG A 38 35.398 0.198 -2.413 1.00 0.00 C ATOM 597 CG ARG A 38 34.859 1.247 -1.446 1.00 0.00 C ATOM 598 CD ARG A 38 35.653 1.261 -0.146 1.00 0.00 C ATOM 599 NE ARG A 38 35.083 2.178 0.845 1.00 0.00 N ATOM 600 CZ ARG A 38 35.737 2.611 1.929 1.00 0.00 C ATOM 601 NH1 ARG A 38 36.986 2.222 2.151 1.00 0.00 N ATOM 602 NH2 ARG A 38 35.140 3.432 2.786 1.00 0.00 N ATOM 0 H ARG A 38 36.079 1.968 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 38 37.428 0.675 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 38 34.771 0.185 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 38 35.314 -0.785 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 34.903 2.231 -1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 38 33.810 1.042 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 38 35.683 0.254 0.269 1.00 0.00 H new ATOM 0 HD3 ARG A 38 36.683 1.550 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 38 34.128 2.507 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 38 37.448 1.592 1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 38 37.484 2.553 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 38 34.180 3.734 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 38 35.641 3.760 3.611 1.00 0.00 H new ATOM 616 N SER A 39 37.466 -0.907 -4.767 1.00 0.00 N ATOM 617 CA SER A 39 38.069 -2.028 -5.467 1.00 0.00 C ATOM 618 C SER A 39 39.520 -2.215 -5.013 1.00 0.00 C ATOM 619 O SER A 39 39.969 -3.331 -4.767 1.00 0.00 O ATOM 620 CB SER A 39 38.035 -1.781 -6.971 1.00 0.00 C ATOM 621 OG SER A 39 36.743 -1.375 -7.396 1.00 0.00 O ATOM 0 H SER A 39 37.072 -0.192 -5.379 1.00 0.00 H new ATOM 0 HA SER A 39 37.502 -2.930 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.764 -1.014 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 39 38.325 -2.690 -7.498 1.00 0.00 H new ATOM 0 HG SER A 39 36.750 -1.222 -8.364 1.00 0.00 H new ATOM 627 N SER A 40 40.235 -1.103 -4.872 1.00 0.00 N ATOM 628 CA SER A 40 41.631 -1.141 -4.474 1.00 0.00 C ATOM 629 C SER A 40 41.764 -1.280 -2.956 1.00 0.00 C ATOM 630 O SER A 40 42.732 -1.850 -2.456 1.00 0.00 O ATOM 631 CB SER A 40 42.337 0.125 -4.947 1.00 0.00 C ATOM 632 OG SER A 40 42.097 0.352 -6.330 1.00 0.00 O ATOM 0 H SER A 40 39.866 -0.165 -5.029 1.00 0.00 H new ATOM 0 HA SER A 40 42.098 -2.010 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 40 41.987 0.980 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 40 43.409 0.037 -4.769 1.00 0.00 H new ATOM 0 HG SER A 40 42.558 1.170 -6.612 1.00 0.00 H new ATOM 638 N VAL A 41 40.780 -0.768 -2.235 1.00 0.00 N ATOM 639 CA VAL A 41 40.790 -0.822 -0.779 1.00 0.00 C ATOM 640 C VAL A 41 40.561 -2.247 -0.278 1.00 0.00 C ATOM 641 O VAL A 41 41.393 -2.807 0.434 1.00 0.00 O ATOM 642 CB VAL A 41 39.714 0.112 -0.169 1.00 0.00 C ATOM 643 CG1 VAL A 41 39.714 0.017 1.348 1.00 0.00 C ATOM 644 CG2 VAL A 41 39.935 1.550 -0.615 1.00 0.00 C ATOM 0 H VAL A 41 39.961 -0.309 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 41 41.775 -0.483 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 41 38.739 -0.213 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 41 38.951 0.681 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 41 39.500 -1.009 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.691 0.310 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 41 39.169 2.189 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.919 1.885 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.875 1.607 -1.702 1.00 0.00 H new ATOM 654 N GLN A 42 39.441 -2.829 -0.675 1.00 0.00 N ATOM 655 CA GLN A 42 39.059 -4.169 -0.240 1.00 0.00 C ATOM 656 C GLN A 42 40.094 -5.226 -0.625 1.00 0.00 C ATOM 657 O GLN A 42 40.313 -6.180 0.117 1.00 0.00 O ATOM 658 CB GLN A 42 37.674 -4.540 -0.790 1.00 0.00 C ATOM 659 CG GLN A 42 36.517 -4.213 0.158 1.00 0.00 C ATOM 660 CD GLN A 42 36.468 -2.753 0.591 1.00 0.00 C ATOM 661 OE1 GLN A 42 36.843 -1.853 -0.147 1.00 0.00 O ATOM 662 NE2 GLN A 42 36.003 -2.520 1.802 1.00 0.00 N ATOM 0 H GLN A 42 38.771 -2.390 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 42 39.015 -4.151 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 42 37.517 -4.015 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 42 37.657 -5.607 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 42 35.577 -4.469 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 42 36.597 -4.842 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 42 35.699 -3.296 2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 42 35.947 -1.563 2.151 1.00 0.00 H new ATOM 671 N THR A 43 40.739 -5.049 -1.764 1.00 0.00 N ATOM 672 CA THR A 43 41.739 -6.006 -2.207 1.00 0.00 C ATOM 673 C THR A 43 43.041 -5.872 -1.412 1.00 0.00 C ATOM 674 O THR A 43 43.766 -6.850 -1.219 1.00 0.00 O ATOM 675 CB THR A 43 42.030 -5.866 -3.714 1.00 0.00 C ATOM 676 OG1 THR A 43 42.229 -4.484 -4.048 1.00 0.00 O ATOM 677 CG2 THR A 43 40.884 -6.432 -4.540 1.00 0.00 C ATOM 0 H THR A 43 40.591 -4.260 -2.394 1.00 0.00 H new ATOM 0 HA THR A 43 41.323 -6.997 -2.025 1.00 0.00 H new ATOM 0 HB THR A 43 42.935 -6.429 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 43 41.517 -4.188 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 43 41.111 -6.322 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.752 -7.488 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.966 -5.891 -4.308 1.00 0.00 H new ATOM 685 N ILE A 44 43.323 -4.663 -0.932 1.00 0.00 N ATOM 686 CA ILE A 44 44.547 -4.418 -0.189 1.00 0.00 C ATOM 687 C ILE A 44 44.380 -4.808 1.292 1.00 0.00 C ATOM 688 O ILE A 44 45.284 -5.397 1.891 1.00 0.00 O ATOM 689 CB ILE A 44 45.031 -2.924 -0.342 1.00 0.00 C ATOM 690 CG1 ILE A 44 46.565 -2.850 -0.507 1.00 0.00 C ATOM 691 CG2 ILE A 44 44.573 -2.040 0.818 1.00 0.00 C ATOM 692 CD1 ILE A 44 47.356 -3.384 0.671 1.00 0.00 C ATOM 0 H ILE A 44 42.723 -3.846 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 44 45.325 -5.052 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 44 44.564 -2.536 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 46.848 -3.408 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 44 46.849 -1.811 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.932 -1.023 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 44 43.484 -2.037 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.976 -2.429 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 44 48.422 -3.291 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 44 47.108 -2.812 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 44 47.107 -4.433 0.831 1.00 0.00 H new ATOM 704 N VAL A 45 43.205 -4.521 1.865 1.00 0.00 N ATOM 705 CA VAL A 45 42.950 -4.837 3.268 1.00 0.00 C ATOM 706 C VAL A 45 42.945 -6.339 3.501 1.00 0.00 C ATOM 707 O VAL A 45 43.412 -6.817 4.533 1.00 0.00 O ATOM 708 CB VAL A 45 41.629 -4.209 3.793 1.00 0.00 C ATOM 709 CG1 VAL A 45 41.723 -2.695 3.797 1.00 0.00 C ATOM 710 CG2 VAL A 45 40.440 -4.664 2.972 1.00 0.00 C ATOM 0 H VAL A 45 42.425 -4.075 1.381 1.00 0.00 H new ATOM 0 HA VAL A 45 43.769 -4.393 3.834 1.00 0.00 H new ATOM 0 HB VAL A 45 41.481 -4.552 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 45 40.789 -2.273 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 45 42.543 -2.383 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 45 41.904 -2.339 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 39.531 -4.208 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 40.578 -4.363 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 40.354 -5.749 3.027 1.00 0.00 H new ATOM 720 N ARG A 46 42.439 -7.076 2.528 1.00 0.00 N ATOM 721 CA ARG A 46 42.399 -8.525 2.605 1.00 0.00 C ATOM 722 C ARG A 46 43.793 -9.110 2.440 1.00 0.00 C ATOM 723 O ARG A 46 44.109 -10.150 3.005 1.00 0.00 O ATOM 724 CB ARG A 46 41.467 -9.084 1.526 1.00 0.00 C ATOM 725 CG ARG A 46 39.988 -8.896 1.822 1.00 0.00 C ATOM 726 CD ARG A 46 39.488 -9.930 2.817 1.00 0.00 C ATOM 727 NE ARG A 46 39.591 -11.287 2.276 1.00 0.00 N ATOM 728 CZ ARG A 46 39.307 -12.399 2.950 1.00 0.00 C ATOM 729 NH1 ARG A 46 38.901 -12.334 4.214 1.00 0.00 N ATOM 730 NH2 ARG A 46 39.430 -13.579 2.355 1.00 0.00 N ATOM 0 H ARG A 46 42.047 -6.690 1.669 1.00 0.00 H new ATOM 0 HA ARG A 46 42.019 -8.807 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 46 41.700 -8.603 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 46 41.669 -10.148 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 46 39.819 -7.895 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 46 39.417 -8.973 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 46 40.066 -9.859 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 38.450 -9.717 3.074 1.00 0.00 H new ATOM 0 HE ARG A 46 39.904 -11.387 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 46 38.805 -11.428 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 38.685 -13.190 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 46 39.741 -13.631 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 46 39.213 -14.434 2.868 1.00 0.00 H new ATOM 744 N LYS A 47 44.631 -8.412 1.690 1.00 0.00 N ATOM 745 CA LYS A 47 45.973 -8.880 1.399 1.00 0.00 C ATOM 746 C LYS A 47 46.881 -8.852 2.634 1.00 0.00 C ATOM 747 O LYS A 47 47.427 -9.887 3.031 1.00 0.00 O ATOM 748 CB LYS A 47 46.595 -8.057 0.261 1.00 0.00 C ATOM 749 CG LYS A 47 48.010 -8.489 -0.110 1.00 0.00 C ATOM 750 CD LYS A 47 48.568 -7.675 -1.274 1.00 0.00 C ATOM 751 CE LYS A 47 47.810 -7.946 -2.568 1.00 0.00 C ATOM 752 NZ LYS A 47 48.427 -7.254 -3.727 1.00 0.00 N ATOM 0 H LYS A 47 44.401 -7.512 1.269 1.00 0.00 H new ATOM 0 HA LYS A 47 45.887 -9.920 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 45.959 -8.135 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 47 46.610 -7.007 0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.662 -8.378 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 47 48.009 -9.546 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 47 48.511 -6.613 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 47 49.622 -7.915 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 47 47.786 -9.019 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 47 46.776 -7.619 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 47.882 -7.464 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 48.427 -6.228 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 49.406 -7.585 -3.848 1.00 0.00 H new ATOM 766 N TYR A 48 47.030 -7.680 3.257 1.00 0.00 N ATOM 767 CA TYR A 48 47.962 -7.556 4.378 1.00 0.00 C ATOM 768 C TYR A 48 47.527 -8.357 5.605 1.00 0.00 C ATOM 769 O TYR A 48 48.370 -8.893 6.325 1.00 0.00 O ATOM 770 CB TYR A 48 48.264 -6.079 4.741 1.00 0.00 C ATOM 771 CG TYR A 48 47.115 -5.284 5.347 1.00 0.00 C ATOM 772 CD1 TYR A 48 46.760 -5.441 6.683 1.00 0.00 C ATOM 773 CD2 TYR A 48 46.414 -4.357 4.591 1.00 0.00 C ATOM 774 CE1 TYR A 48 45.737 -4.703 7.241 1.00 0.00 C ATOM 775 CE2 TYR A 48 45.387 -3.615 5.143 1.00 0.00 C ATOM 776 CZ TYR A 48 45.053 -3.792 6.468 1.00 0.00 C ATOM 777 OH TYR A 48 44.035 -3.051 7.023 1.00 0.00 O ATOM 0 H TYR A 48 46.531 -6.825 3.012 1.00 0.00 H new ATOM 0 HA TYR A 48 48.896 -7.998 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.098 -6.063 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 48 48.596 -5.566 3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 48 47.295 -6.153 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 48 46.675 -4.212 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 48 45.474 -4.839 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 48 44.849 -2.900 4.539 1.00 0.00 H new ATOM 0 HH TYR A 48 43.657 -2.455 6.344 1.00 0.00 H new ATOM 787 N LYS A 49 46.218 -8.459 5.838 1.00 0.00 N ATOM 788 CA LYS A 49 45.726 -9.204 6.994 1.00 0.00 C ATOM 789 C LYS A 49 45.918 -10.701 6.786 1.00 0.00 C ATOM 790 O LYS A 49 46.150 -11.448 7.737 1.00 0.00 O ATOM 791 CB LYS A 49 44.245 -8.893 7.279 1.00 0.00 C ATOM 792 CG LYS A 49 43.280 -9.407 6.218 1.00 0.00 C ATOM 793 CD LYS A 49 41.828 -9.279 6.664 1.00 0.00 C ATOM 794 CE LYS A 49 41.423 -7.830 6.871 1.00 0.00 C ATOM 795 NZ LYS A 49 40.017 -7.713 7.324 1.00 0.00 N ATOM 0 H LYS A 49 45.493 -8.044 5.254 1.00 0.00 H new ATOM 0 HA LYS A 49 46.308 -8.889 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.973 -9.327 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.124 -7.814 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 49 43.427 -8.850 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.502 -10.451 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 49 41.178 -9.734 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 49 41.684 -9.832 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 49 42.082 -7.370 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.552 -7.279 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 39.777 -6.710 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.386 -8.130 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 39.900 -8.217 8.226 1.00 0.00 H new ATOM 809 N HIS A 50 45.834 -11.127 5.535 1.00 0.00 N ATOM 810 CA HIS A 50 45.987 -12.528 5.185 1.00 0.00 C ATOM 811 C HIS A 50 47.450 -12.931 5.273 1.00 0.00 C ATOM 812 O HIS A 50 47.788 -13.962 5.847 1.00 0.00 O ATOM 813 CB HIS A 50 45.458 -12.770 3.763 1.00 0.00 C ATOM 814 CG HIS A 50 45.312 -14.215 3.384 1.00 0.00 C ATOM 815 ND1 HIS A 50 44.091 -14.844 3.291 1.00 0.00 N ATOM 816 CD2 HIS A 50 46.235 -15.147 3.057 1.00 0.00 C ATOM 817 CE1 HIS A 50 44.263 -16.093 2.925 1.00 0.00 C ATOM 818 NE2 HIS A 50 45.557 -16.308 2.774 1.00 0.00 N ATOM 0 H HIS A 50 45.659 -10.514 4.739 1.00 0.00 H new ATOM 0 HA HIS A 50 45.413 -13.134 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 50 44.488 -12.283 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 50 46.131 -12.289 3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 50 47.305 -15.005 3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 50 43.480 -16.821 2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 50 45.983 -17.191 2.493 1.00 0.00 H new ATOM 826 N HIS A 51 48.311 -12.094 4.713 1.00 0.00 N ATOM 827 CA HIS A 51 49.745 -12.356 4.678 1.00 0.00 C ATOM 828 C HIS A 51 50.314 -12.552 6.087 1.00 0.00 C ATOM 829 O HIS A 51 50.991 -13.541 6.359 1.00 0.00 O ATOM 830 CB HIS A 51 50.477 -11.203 3.968 1.00 0.00 C ATOM 831 CG HIS A 51 51.915 -11.495 3.641 1.00 0.00 C ATOM 832 ND1 HIS A 51 52.332 -11.926 2.399 1.00 0.00 N ATOM 833 CD2 HIS A 51 53.036 -11.416 4.401 1.00 0.00 C ATOM 834 CE1 HIS A 51 53.636 -12.103 2.406 1.00 0.00 C ATOM 835 NE2 HIS A 51 54.091 -11.800 3.609 1.00 0.00 N ATOM 0 H HIS A 51 48.038 -11.216 4.271 1.00 0.00 H new ATOM 0 HA HIS A 51 49.902 -13.280 4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 51 49.947 -10.965 3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 51 50.433 -10.316 4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 51 53.089 -11.109 5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 51 54.233 -12.439 1.571 1.00 0.00 H new ATOM 0 HE2 HIS A 51 55.067 -11.844 3.902 1.00 0.00 H new ATOM 843 N GLY A 52 50.012 -11.626 6.978 1.00 0.00 N ATOM 844 CA GLY A 52 50.562 -11.680 8.322 1.00 0.00 C ATOM 845 C GLY A 52 50.075 -12.865 9.149 1.00 0.00 C ATOM 846 O GLY A 52 50.807 -13.372 9.994 1.00 0.00 O ATOM 0 H GLY A 52 49.395 -10.834 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 52 51.649 -11.719 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 52 50.307 -10.758 8.844 1.00 0.00 H new ATOM 850 N THR A 53 48.859 -13.320 8.898 1.00 0.00 N ATOM 851 CA THR A 53 48.282 -14.385 9.710 1.00 0.00 C ATOM 852 C THR A 53 48.621 -15.799 9.191 1.00 0.00 C ATOM 853 O THR A 53 48.565 -16.769 9.951 1.00 0.00 O ATOM 854 CB THR A 53 46.742 -14.226 9.840 1.00 0.00 C ATOM 855 OG1 THR A 53 46.237 -15.106 10.851 1.00 0.00 O ATOM 856 CG2 THR A 53 46.044 -14.529 8.523 1.00 0.00 C ATOM 0 H THR A 53 48.257 -12.976 8.150 1.00 0.00 H new ATOM 0 HA THR A 53 48.739 -14.284 10.694 1.00 0.00 H new ATOM 0 HB THR A 53 46.539 -13.191 10.115 1.00 0.00 H new ATOM 0 HG1 THR A 53 45.266 -14.996 10.925 1.00 0.00 H new ATOM 0 HG21 THR A 53 44.968 -14.409 8.646 1.00 0.00 H new ATOM 0 HG22 THR A 53 46.400 -13.842 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 53 46.263 -15.554 8.222 1.00 0.00 H new ATOM 864 N THR A 54 48.981 -15.930 7.922 1.00 0.00 N ATOM 865 CA THR A 54 49.241 -17.262 7.385 1.00 0.00 C ATOM 866 C THR A 54 50.731 -17.517 7.100 1.00 0.00 C ATOM 867 O THR A 54 51.188 -18.658 7.177 1.00 0.00 O ATOM 868 CB THR A 54 48.387 -17.558 6.120 1.00 0.00 C ATOM 869 OG1 THR A 54 48.459 -18.952 5.789 1.00 0.00 O ATOM 870 CG2 THR A 54 48.862 -16.739 4.931 1.00 0.00 C ATOM 0 H THR A 54 49.097 -15.160 7.263 1.00 0.00 H new ATOM 0 HA THR A 54 48.941 -17.955 8.171 1.00 0.00 H new ATOM 0 HB THR A 54 47.356 -17.284 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 54 47.916 -19.127 4.992 1.00 0.00 H new ATOM 0 HG21 THR A 54 48.245 -16.968 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 54 48.780 -15.677 5.164 1.00 0.00 H new ATOM 0 HG23 THR A 54 49.902 -16.983 4.713 1.00 0.00 H new ATOM 878 N GLN A 55 51.493 -16.466 6.798 1.00 0.00 N ATOM 879 CA GLN A 55 52.911 -16.647 6.478 1.00 0.00 C ATOM 880 C GLN A 55 53.730 -16.988 7.721 1.00 0.00 C ATOM 881 O GLN A 55 54.757 -17.659 7.632 1.00 0.00 O ATOM 882 CB GLN A 55 53.491 -15.409 5.790 1.00 0.00 C ATOM 883 CG GLN A 55 52.854 -15.077 4.446 1.00 0.00 C ATOM 884 CD GLN A 55 52.845 -16.247 3.481 1.00 0.00 C ATOM 885 OE1 GLN A 55 51.877 -17.005 3.418 1.00 0.00 O ATOM 886 NE2 GLN A 55 53.914 -16.401 2.733 1.00 0.00 N ATOM 0 H GLN A 55 51.164 -15.501 6.768 1.00 0.00 H new ATOM 0 HA GLN A 55 52.974 -17.488 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 55 53.376 -14.552 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 55 54.561 -15.558 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 55 51.830 -14.742 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 55 53.392 -14.245 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 55 54.694 -15.749 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 55 53.964 -17.172 2.068 1.00 0.00 H new ATOM 895 N HIS A 56 53.269 -16.532 8.875 1.00 0.00 N ATOM 896 CA HIS A 56 53.966 -16.798 10.127 1.00 0.00 C ATOM 897 C HIS A 56 52.984 -16.942 11.275 1.00 0.00 C ATOM 898 O HIS A 56 51.947 -16.274 11.307 1.00 0.00 O ATOM 899 CB HIS A 56 55.016 -15.708 10.435 1.00 0.00 C ATOM 900 CG HIS A 56 54.480 -14.303 10.453 1.00 0.00 C ATOM 901 ND1 HIS A 56 54.118 -13.644 11.610 1.00 0.00 N ATOM 902 CD2 HIS A 56 54.264 -13.426 9.443 1.00 0.00 C ATOM 903 CE1 HIS A 56 53.703 -12.431 11.314 1.00 0.00 C ATOM 904 NE2 HIS A 56 53.782 -12.270 10.004 1.00 0.00 N ATOM 0 H HIS A 56 52.418 -15.978 8.973 1.00 0.00 H new ATOM 0 HA HIS A 56 54.497 -17.743 10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 56 55.468 -15.922 11.404 1.00 0.00 H new ATOM 0 HB3 HIS A 56 55.811 -15.769 9.692 1.00 0.00 H new ATOM 0 HD2 HIS A 56 54.439 -13.604 8.392 1.00 0.00 H new ATOM 0 HE1 HIS A 56 53.357 -11.692 12.021 1.00 0.00 H new ATOM 0 HE2 HIS A 56 53.526 -11.425 9.494 1.00 0.00 H new ATOM 912 N HIS A 57 53.309 -17.819 12.204 1.00 0.00 N ATOM 913 CA HIS A 57 52.458 -18.082 13.352 1.00 0.00 C ATOM 914 C HIS A 57 53.035 -17.424 14.588 1.00 0.00 C ATOM 915 O HIS A 57 52.686 -16.266 14.864 1.00 0.00 O ATOM 916 CB HIS A 57 52.320 -19.592 13.594 1.00 0.00 C ATOM 917 CG HIS A 57 51.653 -20.342 12.483 1.00 0.00 C ATOM 918 ND1 HIS A 57 50.338 -20.735 12.528 1.00 0.00 N ATOM 919 CD2 HIS A 57 52.131 -20.781 11.298 1.00 0.00 C ATOM 920 CE1 HIS A 57 50.030 -21.380 11.426 1.00 0.00 C ATOM 921 NE2 HIS A 57 51.101 -21.425 10.657 1.00 0.00 N ATOM 0 H HIS A 57 54.168 -18.369 12.186 1.00 0.00 H new ATOM 0 HA HIS A 57 51.471 -17.668 13.145 1.00 0.00 H new ATOM 0 HB2 HIS A 57 53.312 -20.013 13.755 1.00 0.00 H new ATOM 0 HB3 HIS A 57 51.754 -19.749 14.512 1.00 0.00 H new ATOM 0 HD2 HIS A 57 53.136 -20.650 10.924 1.00 0.00 H new ATOM 0 HE1 HIS A 57 49.064 -21.802 11.190 1.00 0.00 H new ATOM 0 HE2 HIS A 57 51.155 -21.865 9.738 1.00 0.00 H new TER 929 HIS A 57