USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 506 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 10 GLN : amide:sc= 1.05 K(o=1.3,f=-6.9) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 149:sc= 0.249 (180deg=-1.84!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.38 (180deg=0.409) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 1.29 (180deg=-0.263) USER MOD Single : A 13 GLN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD Single : A 14 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 1.17 (180deg=0.914) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.191) USER MOD Single : A 29 ASN : amide:sc= -2.04 K(o=-2,f=-8.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc=-0.00193 X(o=-0.0019,f=-0.0023) USER MOD Single : A 41 SER OG : rot -170:sc= -0.652 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 43 ASN :FLIP amide:sc=-0.00198 F(o=-2.1,f=-0.002) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc=-0.00945 (180deg=-0.168) USER MOD Single : A 49 LYS NZ :NH3+ -145:sc= 1.22 (180deg=1.04) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -109:sc= -0.766 (180deg=-2.87!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.482 -9.007 -8.701 1.00 0.00 N ATOM 2 CA MET A 1 15.557 -8.622 -7.760 1.00 0.00 C ATOM 3 C MET A 1 14.964 -8.259 -6.406 1.00 0.00 C ATOM 4 O MET A 1 13.864 -7.711 -6.332 1.00 0.00 O ATOM 5 CB MET A 1 16.360 -7.428 -8.298 1.00 0.00 C ATOM 6 CG MET A 1 17.117 -7.701 -9.590 1.00 0.00 C ATOM 7 SD MET A 1 16.037 -7.867 -11.024 1.00 0.00 S ATOM 8 CE MET A 1 17.243 -8.105 -12.327 1.00 0.00 C ATOM 0 H1 MET A 1 14.745 -8.719 -9.665 1.00 0.00 H new ATOM 0 H2 MET A 1 14.348 -10.038 -8.672 1.00 0.00 H new ATOM 0 H3 MET A 1 13.596 -8.535 -8.428 1.00 0.00 H new ATOM 0 HA MET A 1 16.227 -9.475 -7.651 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.678 -6.593 -8.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.072 -7.113 -7.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.824 -6.891 -9.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.701 -8.614 -9.475 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.729 -8.224 -13.281 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.902 -7.238 -12.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.832 -8.998 -12.119 1.00 0.00 H new ATOM 20 N PRO A 2 15.678 -8.571 -5.315 1.00 0.00 N ATOM 21 CA PRO A 2 15.232 -8.246 -3.961 1.00 0.00 C ATOM 22 C PRO A 2 15.506 -6.790 -3.594 1.00 0.00 C ATOM 23 O PRO A 2 15.988 -6.006 -4.417 1.00 0.00 O ATOM 24 CB PRO A 2 16.065 -9.187 -3.094 1.00 0.00 C ATOM 25 CG PRO A 2 17.337 -9.359 -3.851 1.00 0.00 C ATOM 26 CD PRO A 2 16.977 -9.272 -5.312 1.00 0.00 C ATOM 0 HA PRO A 2 14.156 -8.366 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 2 16.245 -8.763 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.560 -10.141 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.057 -8.586 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.799 -10.319 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.729 -8.722 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 2 16.899 -10.261 -5.764 1.00 0.00 H new ATOM 34 N LEU A 3 15.194 -6.431 -2.360 1.00 0.00 N ATOM 35 CA LEU A 3 15.428 -5.081 -1.873 1.00 0.00 C ATOM 36 C LEU A 3 16.598 -5.073 -0.898 1.00 0.00 C ATOM 37 O LEU A 3 17.242 -6.103 -0.684 1.00 0.00 O ATOM 38 CB LEU A 3 14.173 -4.533 -1.187 1.00 0.00 C ATOM 39 CG LEU A 3 12.911 -4.503 -2.052 1.00 0.00 C ATOM 40 CD1 LEU A 3 11.734 -3.971 -1.251 1.00 0.00 C ATOM 41 CD2 LEU A 3 13.132 -3.653 -3.294 1.00 0.00 C ATOM 0 H LEU A 3 14.776 -7.059 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 3 15.667 -4.443 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.971 -5.136 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.381 -3.520 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 3 12.687 -5.522 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.844 -3.955 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.559 -4.616 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.954 -2.960 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.223 -3.645 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.381 -2.634 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.951 -4.071 -3.880 1.00 0.00 H new ATOM 53 N THR A 4 16.879 -3.913 -0.321 1.00 0.00 N ATOM 54 CA THR A 4 17.923 -3.792 0.685 1.00 0.00 C ATOM 55 C THR A 4 17.567 -4.616 1.921 1.00 0.00 C ATOM 56 O THR A 4 18.340 -5.470 2.361 1.00 0.00 O ATOM 57 CB THR A 4 18.144 -2.318 1.071 1.00 0.00 C ATOM 58 OG1 THR A 4 16.884 -1.632 1.107 1.00 0.00 O ATOM 59 CG2 THR A 4 19.073 -1.629 0.082 1.00 0.00 C ATOM 0 H THR A 4 16.396 -3.040 -0.534 1.00 0.00 H new ATOM 0 HA THR A 4 18.851 -4.177 0.262 1.00 0.00 H new ATOM 0 HB THR A 4 18.607 -2.288 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.029 -0.695 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 4 19.212 -0.589 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 4 20.038 -2.137 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 4 18.635 -1.667 -0.916 1.00 0.00 H new ATOM 67 N ASP A 5 16.393 -4.358 2.472 1.00 0.00 N ATOM 68 CA ASP A 5 15.840 -5.190 3.530 1.00 0.00 C ATOM 69 C ASP A 5 14.716 -6.039 2.949 1.00 0.00 C ATOM 70 O ASP A 5 14.189 -5.710 1.887 1.00 0.00 O ATOM 71 CB ASP A 5 15.354 -4.339 4.717 1.00 0.00 C ATOM 72 CG ASP A 5 14.403 -3.227 4.328 1.00 0.00 C ATOM 73 OD1 ASP A 5 14.881 -2.102 4.056 1.00 0.00 O ATOM 74 OD2 ASP A 5 13.181 -3.459 4.336 1.00 0.00 O ATOM 0 H ASP A 5 15.800 -3.573 2.202 1.00 0.00 H new ATOM 0 HA ASP A 5 16.618 -5.846 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.861 -4.989 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.219 -3.905 5.218 1.00 0.00 H new ATOM 79 N PRO A 6 14.350 -7.150 3.619 1.00 0.00 N ATOM 80 CA PRO A 6 13.392 -8.125 3.077 1.00 0.00 C ATOM 81 C PRO A 6 12.087 -7.482 2.619 1.00 0.00 C ATOM 82 O PRO A 6 11.624 -7.734 1.502 1.00 0.00 O ATOM 83 CB PRO A 6 13.143 -9.095 4.242 1.00 0.00 C ATOM 84 CG PRO A 6 13.739 -8.448 5.447 1.00 0.00 C ATOM 85 CD PRO A 6 14.832 -7.548 4.948 1.00 0.00 C ATOM 0 HA PRO A 6 13.787 -8.613 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.077 -9.273 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.605 -10.063 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.987 -7.879 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.135 -9.196 6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.975 -6.687 5.600 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.789 -8.067 4.892 1.00 0.00 H new ATOM 93 N ALA A 7 11.502 -6.660 3.485 1.00 0.00 N ATOM 94 CA ALA A 7 10.270 -5.946 3.162 1.00 0.00 C ATOM 95 C ALA A 7 9.874 -4.997 4.285 1.00 0.00 C ATOM 96 O ALA A 7 8.746 -4.497 4.305 1.00 0.00 O ATOM 97 CB ALA A 7 9.133 -6.927 2.896 1.00 0.00 C ATOM 0 H ALA A 7 11.863 -6.471 4.420 1.00 0.00 H new ATOM 0 HA ALA A 7 10.456 -5.361 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.224 -6.375 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.397 -7.571 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.964 -7.537 3.783 1.00 0.00 H new ATOM 103 N LYS A 8 10.829 -4.697 5.169 1.00 0.00 N ATOM 104 CA LYS A 8 10.557 -4.015 6.431 1.00 0.00 C ATOM 105 C LYS A 8 9.475 -4.744 7.241 1.00 0.00 C ATOM 106 O LYS A 8 9.780 -5.486 8.175 1.00 0.00 O ATOM 107 CB LYS A 8 10.151 -2.569 6.166 1.00 0.00 C ATOM 108 CG LYS A 8 10.601 -1.606 7.245 1.00 0.00 C ATOM 109 CD LYS A 8 12.104 -1.411 7.191 1.00 0.00 C ATOM 110 CE LYS A 8 12.506 -0.468 6.063 1.00 0.00 C ATOM 111 NZ LYS A 8 13.983 -0.388 5.903 1.00 0.00 N ATOM 0 H LYS A 8 11.814 -4.922 5.027 1.00 0.00 H new ATOM 0 HA LYS A 8 11.470 -4.022 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.569 -2.252 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.066 -2.516 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.099 -0.647 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.313 -1.988 8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.454 -1.011 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.592 -2.376 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.058 -0.808 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.109 0.527 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.276 0.610 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.445 -0.863 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.262 -0.855 5.016 1.00 0.00 H new ATOM 125 N LEU A 9 8.224 -4.537 6.848 1.00 0.00 N ATOM 126 CA LEU A 9 7.059 -5.146 7.476 1.00 0.00 C ATOM 127 C LEU A 9 5.824 -4.653 6.735 1.00 0.00 C ATOM 128 O LEU A 9 5.460 -3.485 6.842 1.00 0.00 O ATOM 129 CB LEU A 9 6.964 -4.777 8.962 1.00 0.00 C ATOM 130 CG LEU A 9 5.801 -5.414 9.722 1.00 0.00 C ATOM 131 CD1 LEU A 9 5.950 -6.924 9.742 1.00 0.00 C ATOM 132 CD2 LEU A 9 5.726 -4.864 11.138 1.00 0.00 C ATOM 0 H LEU A 9 7.986 -3.927 6.066 1.00 0.00 H new ATOM 0 HA LEU A 9 7.140 -6.232 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.895 -5.063 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.880 -3.693 9.045 1.00 0.00 H new ATOM 0 HG LEU A 9 4.872 -5.165 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.115 -7.365 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.957 -7.302 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.885 -7.191 10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.892 -5.328 11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.655 -5.084 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.577 -3.785 11.102 1.00 0.00 H new ATOM 144 N GLN A 10 5.201 -5.515 5.951 1.00 0.00 N ATOM 145 CA GLN A 10 4.132 -5.065 5.075 1.00 0.00 C ATOM 146 C GLN A 10 2.884 -5.917 5.187 1.00 0.00 C ATOM 147 O GLN A 10 2.826 -6.886 5.943 1.00 0.00 O ATOM 148 CB GLN A 10 4.606 -5.029 3.624 1.00 0.00 C ATOM 149 CG GLN A 10 5.670 -3.983 3.375 1.00 0.00 C ATOM 150 CD GLN A 10 6.249 -4.058 1.978 1.00 0.00 C ATOM 151 OE1 GLN A 10 5.552 -4.402 1.028 1.00 0.00 O ATOM 152 NE2 GLN A 10 7.530 -3.760 1.849 1.00 0.00 N ATOM 0 H GLN A 10 5.411 -6.512 5.902 1.00 0.00 H new ATOM 0 HA GLN A 10 3.868 -4.058 5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.997 -6.009 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.753 -4.834 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.244 -2.992 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.472 -4.106 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.073 -3.478 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.976 -3.812 0.933 1.00 0.00 H new ATOM 161 N ILE A 11 1.897 -5.543 4.394 1.00 0.00 N ATOM 162 CA ILE A 11 0.581 -6.150 4.438 1.00 0.00 C ATOM 163 C ILE A 11 0.540 -7.452 3.644 1.00 0.00 C ATOM 164 O ILE A 11 -0.436 -8.196 3.708 1.00 0.00 O ATOM 165 CB ILE A 11 -0.475 -5.144 3.915 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.166 -4.683 2.487 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.528 -3.944 4.845 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.665 -5.623 1.413 1.00 0.00 C ATOM 0 H ILE A 11 1.987 -4.804 3.697 1.00 0.00 H new ATOM 0 HA ILE A 11 0.349 -6.400 5.473 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.442 -5.647 3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.611 -3.700 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.912 -4.566 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.270 -3.234 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.802 -4.272 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.450 -3.464 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.406 -5.225 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.201 -6.601 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.748 -5.722 1.490 1.00 0.00 H new ATOM 180 N VAL A 12 1.628 -7.733 2.934 1.00 0.00 N ATOM 181 CA VAL A 12 1.698 -8.884 2.037 1.00 0.00 C ATOM 182 C VAL A 12 1.701 -10.212 2.795 1.00 0.00 C ATOM 183 O VAL A 12 1.657 -11.280 2.187 1.00 0.00 O ATOM 184 CB VAL A 12 2.952 -8.814 1.135 1.00 0.00 C ATOM 185 CG1 VAL A 12 2.897 -7.588 0.236 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.224 -8.803 1.975 1.00 0.00 C ATOM 0 H VAL A 12 2.481 -7.174 2.963 1.00 0.00 H new ATOM 0 HA VAL A 12 0.801 -8.843 1.420 1.00 0.00 H new ATOM 0 HB VAL A 12 2.967 -9.704 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.788 -7.556 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.010 -7.640 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.853 -6.688 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.093 -8.753 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.217 -7.935 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.273 -9.713 2.573 1.00 0.00 H new ATOM 196 N GLN A 13 1.762 -10.145 4.118 1.00 0.00 N ATOM 197 CA GLN A 13 1.733 -11.348 4.932 1.00 0.00 C ATOM 198 C GLN A 13 0.302 -11.882 5.007 1.00 0.00 C ATOM 199 O GLN A 13 -0.026 -12.884 4.374 1.00 0.00 O ATOM 200 CB GLN A 13 2.284 -11.059 6.334 1.00 0.00 C ATOM 201 CG GLN A 13 2.906 -12.269 7.028 1.00 0.00 C ATOM 202 CD GLN A 13 1.917 -13.393 7.279 1.00 0.00 C ATOM 203 OE1 GLN A 13 1.262 -13.436 8.317 1.00 0.00 O ATOM 204 NE2 GLN A 13 1.813 -14.318 6.336 1.00 0.00 N ATOM 0 H GLN A 13 1.831 -9.275 4.646 1.00 0.00 H new ATOM 0 HA GLN A 13 2.366 -12.107 4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.034 -10.272 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.476 -10.674 6.956 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.727 -12.646 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.335 -11.953 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.375 -14.247 5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.171 -15.101 6.459 1.00 0.00 H new ATOM 213 N GLN A 14 -0.549 -11.200 5.767 1.00 0.00 N ATOM 214 CA GLN A 14 -1.942 -11.614 5.906 1.00 0.00 C ATOM 215 C GLN A 14 -2.857 -10.412 6.119 1.00 0.00 C ATOM 216 O GLN A 14 -3.984 -10.554 6.592 1.00 0.00 O ATOM 217 CB GLN A 14 -2.101 -12.594 7.072 1.00 0.00 C ATOM 218 CG GLN A 14 -1.627 -12.046 8.410 1.00 0.00 C ATOM 219 CD GLN A 14 -2.031 -12.928 9.574 1.00 0.00 C ATOM 220 OE1 GLN A 14 -3.074 -13.582 9.539 1.00 0.00 O ATOM 221 NE2 GLN A 14 -1.206 -12.964 10.607 1.00 0.00 N ATOM 0 H GLN A 14 -0.301 -10.363 6.294 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.230 -12.110 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.151 -12.874 7.157 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.545 -13.504 6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.542 -11.946 8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.037 -11.047 8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.352 -12.407 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.424 -13.549 11.414 1.00 0.00 H new ATOM 230 N ARG A 15 -2.383 -9.230 5.746 1.00 0.00 N ATOM 231 CA ARG A 15 -3.158 -8.016 5.956 1.00 0.00 C ATOM 232 C ARG A 15 -4.023 -7.728 4.740 1.00 0.00 C ATOM 233 O ARG A 15 -3.521 -7.580 3.630 1.00 0.00 O ATOM 234 CB ARG A 15 -2.254 -6.823 6.258 1.00 0.00 C ATOM 235 CG ARG A 15 -1.359 -7.034 7.467 1.00 0.00 C ATOM 236 CD ARG A 15 -0.723 -5.734 7.931 1.00 0.00 C ATOM 237 NE ARG A 15 0.132 -5.930 9.102 1.00 0.00 N ATOM 238 CZ ARG A 15 0.911 -4.984 9.629 1.00 0.00 C ATOM 239 NH1 ARG A 15 0.906 -3.753 9.127 1.00 0.00 N ATOM 240 NH2 ARG A 15 1.687 -5.268 10.669 1.00 0.00 N ATOM 0 H ARG A 15 -1.476 -9.087 5.302 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.802 -8.174 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.632 -6.618 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.872 -5.941 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.943 -7.464 8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.578 -7.753 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.134 -5.309 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.505 -5.013 8.169 1.00 0.00 H new ATOM 0 HE ARG A 15 0.132 -6.849 9.544 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.304 -3.528 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.504 -3.034 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.687 -6.209 11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.283 -4.546 11.073 1.00 0.00 H new ATOM 254 N VAL A 16 -5.325 -7.637 4.968 1.00 0.00 N ATOM 255 CA VAL A 16 -6.296 -7.438 3.893 1.00 0.00 C ATOM 256 C VAL A 16 -6.357 -5.978 3.442 1.00 0.00 C ATOM 257 O VAL A 16 -7.376 -5.519 2.924 1.00 0.00 O ATOM 258 CB VAL A 16 -7.704 -7.887 4.340 1.00 0.00 C ATOM 259 CG1 VAL A 16 -7.731 -9.388 4.590 1.00 0.00 C ATOM 260 CG2 VAL A 16 -8.137 -7.130 5.589 1.00 0.00 C ATOM 0 H VAL A 16 -5.740 -7.698 5.898 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.964 -8.046 3.052 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.407 -7.658 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.731 -9.687 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.466 -9.914 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.015 -9.640 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.132 -7.460 5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.431 -7.326 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.158 -6.061 5.377 1.00 0.00 H new ATOM 270 N PHE A 17 -5.255 -5.264 3.606 1.00 0.00 N ATOM 271 CA PHE A 17 -5.195 -3.854 3.259 1.00 0.00 C ATOM 272 C PHE A 17 -4.399 -3.661 1.976 1.00 0.00 C ATOM 273 O PHE A 17 -3.932 -4.630 1.372 1.00 0.00 O ATOM 274 CB PHE A 17 -4.562 -3.051 4.399 1.00 0.00 C ATOM 275 CG PHE A 17 -5.286 -3.199 5.707 1.00 0.00 C ATOM 276 CD1 PHE A 17 -6.502 -2.569 5.916 1.00 0.00 C ATOM 277 CD2 PHE A 17 -4.752 -3.976 6.723 1.00 0.00 C ATOM 278 CE1 PHE A 17 -7.173 -2.711 7.116 1.00 0.00 C ATOM 279 CE2 PHE A 17 -5.419 -4.122 7.925 1.00 0.00 C ATOM 280 CZ PHE A 17 -6.630 -3.487 8.122 1.00 0.00 C ATOM 0 H PHE A 17 -4.384 -5.642 3.980 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.211 -3.492 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.527 -3.369 4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.539 -1.997 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.930 -1.961 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.805 -4.473 6.574 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.121 -2.216 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.994 -4.731 8.709 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.152 -3.597 9.061 1.00 0.00 H new ATOM 290 N LEU A 18 -4.249 -2.414 1.564 1.00 0.00 N ATOM 291 CA LEU A 18 -3.533 -2.092 0.342 1.00 0.00 C ATOM 292 C LEU A 18 -2.366 -1.161 0.645 1.00 0.00 C ATOM 293 O LEU A 18 -2.114 -0.824 1.801 1.00 0.00 O ATOM 294 CB LEU A 18 -4.478 -1.462 -0.685 1.00 0.00 C ATOM 295 CG LEU A 18 -5.608 -2.378 -1.172 1.00 0.00 C ATOM 296 CD1 LEU A 18 -6.541 -1.634 -2.116 1.00 0.00 C ATOM 297 CD2 LEU A 18 -5.039 -3.608 -1.860 1.00 0.00 C ATOM 0 H LEU A 18 -4.616 -1.603 2.062 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.137 -3.014 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.919 -0.566 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.893 -1.142 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.181 -2.697 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.334 -2.305 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.980 -0.782 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.979 -1.282 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.855 -4.246 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.439 -3.301 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.414 -4.161 -1.159 1.00 0.00 H new ATOM 309 N LYS A 19 -1.642 -0.774 -0.392 1.00 0.00 N ATOM 310 CA LYS A 19 -0.470 0.076 -0.236 1.00 0.00 C ATOM 311 C LYS A 19 -0.758 1.491 -0.731 1.00 0.00 C ATOM 312 O LYS A 19 -1.823 1.757 -1.295 1.00 0.00 O ATOM 313 CB LYS A 19 0.699 -0.515 -1.015 1.00 0.00 C ATOM 314 CG LYS A 19 1.063 -1.930 -0.602 1.00 0.00 C ATOM 315 CD LYS A 19 1.873 -1.963 0.684 1.00 0.00 C ATOM 316 CE LYS A 19 2.659 -3.262 0.778 1.00 0.00 C ATOM 317 NZ LYS A 19 3.330 -3.600 -0.509 1.00 0.00 N ATOM 0 H LYS A 19 -1.846 -1.036 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.216 0.126 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.455 -0.509 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.571 0.126 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.152 -2.514 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.633 -2.404 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.556 -1.114 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.209 -1.869 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.407 -3.177 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.988 -4.073 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.211 -4.118 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.699 -4.194 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.549 -2.725 -1.027 1.00 0.00 H new ATOM 331 N LYS A 20 0.192 2.397 -0.525 1.00 0.00 N ATOM 332 CA LYS A 20 0.018 3.780 -0.945 1.00 0.00 C ATOM 333 C LYS A 20 0.750 4.019 -2.247 1.00 0.00 C ATOM 334 O LYS A 20 1.951 3.776 -2.349 1.00 0.00 O ATOM 335 CB LYS A 20 0.544 4.751 0.108 1.00 0.00 C ATOM 336 CG LYS A 20 0.120 4.411 1.523 1.00 0.00 C ATOM 337 CD LYS A 20 0.721 5.381 2.517 1.00 0.00 C ATOM 338 CE LYS A 20 2.237 5.337 2.482 1.00 0.00 C ATOM 339 NZ LYS A 20 2.827 6.345 3.397 1.00 0.00 N ATOM 0 H LYS A 20 1.084 2.199 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.050 3.955 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.633 4.769 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.198 5.756 -0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.967 4.436 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.432 3.395 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.379 6.392 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.371 5.140 3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.581 4.342 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.585 5.518 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.858 6.212 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.616 7.300 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.422 6.230 4.348 1.00 0.00 H new ATOM 353 N VAL A 21 0.035 4.512 -3.233 1.00 0.00 N ATOM 354 CA VAL A 21 0.607 4.718 -4.538 1.00 0.00 C ATOM 355 C VAL A 21 0.925 6.190 -4.761 1.00 0.00 C ATOM 356 O VAL A 21 0.081 7.062 -4.551 1.00 0.00 O ATOM 357 CB VAL A 21 -0.327 4.184 -5.647 1.00 0.00 C ATOM 358 CG1 VAL A 21 -1.713 4.801 -5.551 1.00 0.00 C ATOM 359 CG2 VAL A 21 0.276 4.429 -7.015 1.00 0.00 C ATOM 0 H VAL A 21 -0.947 4.778 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 21 1.539 4.156 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.434 3.109 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.344 4.403 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.153 4.559 -4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.637 5.883 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.396 4.046 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.422 5.499 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.236 3.918 -7.086 1.00 0.00 H new ATOM 369 N CYS A 22 2.166 6.458 -5.115 1.00 0.00 N ATOM 370 CA CYS A 22 2.593 7.790 -5.493 1.00 0.00 C ATOM 371 C CYS A 22 1.757 8.309 -6.650 1.00 0.00 C ATOM 372 O CYS A 22 1.582 7.623 -7.648 1.00 0.00 O ATOM 373 CB CYS A 22 4.068 7.746 -5.887 1.00 0.00 C ATOM 374 SG CYS A 22 4.712 9.231 -6.727 1.00 0.00 S ATOM 0 H CYS A 22 2.907 5.758 -5.149 1.00 0.00 H new ATOM 0 HA CYS A 22 2.459 8.465 -4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.660 7.576 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.225 6.887 -6.539 1.00 0.00 H new ATOM 379 N ARG A 23 1.255 9.521 -6.519 1.00 0.00 N ATOM 380 CA ARG A 23 0.426 10.111 -7.561 1.00 0.00 C ATOM 381 C ARG A 23 1.291 10.672 -8.693 1.00 0.00 C ATOM 382 O ARG A 23 0.778 11.119 -9.715 1.00 0.00 O ATOM 383 CB ARG A 23 -0.457 11.206 -6.966 1.00 0.00 C ATOM 384 CG ARG A 23 0.322 12.378 -6.397 1.00 0.00 C ATOM 385 CD ARG A 23 -0.559 13.259 -5.530 1.00 0.00 C ATOM 386 NE ARG A 23 -0.919 12.605 -4.269 1.00 0.00 N ATOM 387 CZ ARG A 23 -1.908 13.020 -3.474 1.00 0.00 C ATOM 388 NH1 ARG A 23 -2.714 14.001 -3.862 1.00 0.00 N ATOM 389 NH2 ARG A 23 -2.114 12.423 -2.303 1.00 0.00 N ATOM 0 H ARG A 23 1.404 10.118 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.212 9.333 -7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.135 11.572 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.074 10.774 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.161 12.008 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.741 12.969 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.040 14.194 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.466 13.515 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.383 11.786 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.579 14.442 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.468 14.314 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.516 11.649 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.869 12.740 -1.695 1.00 0.00 H new ATOM 403 N LYS A 24 2.609 10.627 -8.502 1.00 0.00 N ATOM 404 CA LYS A 24 3.551 11.200 -9.457 1.00 0.00 C ATOM 405 C LYS A 24 4.159 10.111 -10.348 1.00 0.00 C ATOM 406 O LYS A 24 4.210 10.256 -11.570 1.00 0.00 O ATOM 407 CB LYS A 24 4.648 11.974 -8.711 1.00 0.00 C ATOM 408 CG LYS A 24 4.098 12.995 -7.727 1.00 0.00 C ATOM 409 CD LYS A 24 3.241 14.049 -8.416 1.00 0.00 C ATOM 410 CE LYS A 24 4.083 15.020 -9.231 1.00 0.00 C ATOM 411 NZ LYS A 24 4.926 15.889 -8.367 1.00 0.00 N ATOM 0 H LYS A 24 3.049 10.196 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 24 3.013 11.893 -10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.282 11.267 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.282 12.483 -9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.504 12.484 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.925 13.482 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.518 13.559 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.673 14.601 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.721 14.460 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.429 15.642 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.297 16.682 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.353 16.259 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.718 15.334 -7.985 1.00 0.00 H new ATOM 425 N CYS A 25 4.619 9.019 -9.739 1.00 0.00 N ATOM 426 CA CYS A 25 5.111 7.874 -10.510 1.00 0.00 C ATOM 427 C CYS A 25 3.996 6.874 -10.705 1.00 0.00 C ATOM 428 O CYS A 25 3.749 6.378 -11.801 1.00 0.00 O ATOM 429 CB CYS A 25 6.233 7.103 -9.793 1.00 0.00 C ATOM 430 SG CYS A 25 7.541 8.095 -9.031 1.00 0.00 S ATOM 0 H CYS A 25 4.662 8.901 -8.727 1.00 0.00 H new ATOM 0 HA CYS A 25 5.485 8.288 -11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.780 6.484 -9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.694 6.426 -10.512 1.00 0.00 H new ATOM 435 N GLY A 26 3.302 6.622 -9.611 1.00 0.00 N ATOM 436 CA GLY A 26 2.539 5.411 -9.480 1.00 0.00 C ATOM 437 C GLY A 26 3.298 4.423 -8.617 1.00 0.00 C ATOM 438 O GLY A 26 2.979 3.237 -8.568 1.00 0.00 O ATOM 0 H GLY A 26 3.256 7.244 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.568 5.627 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.350 4.980 -10.463 1.00 0.00 H new ATOM 442 N ALA A 27 4.314 4.943 -7.927 1.00 0.00 N ATOM 443 CA ALA A 27 5.172 4.137 -7.076 1.00 0.00 C ATOM 444 C ALA A 27 4.460 3.773 -5.791 1.00 0.00 C ATOM 445 O ALA A 27 4.210 4.630 -4.941 1.00 0.00 O ATOM 446 CB ALA A 27 6.473 4.877 -6.764 1.00 0.00 C ATOM 0 H ALA A 27 4.560 5.933 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 27 5.413 3.220 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.101 4.256 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.001 5.092 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.246 5.811 -6.251 1.00 0.00 H new ATOM 452 N LEU A 28 4.128 2.506 -5.663 1.00 0.00 N ATOM 453 CA LEU A 28 3.457 2.011 -4.479 1.00 0.00 C ATOM 454 C LEU A 28 4.479 1.753 -3.387 1.00 0.00 C ATOM 455 O LEU A 28 5.333 0.876 -3.519 1.00 0.00 O ATOM 456 CB LEU A 28 2.682 0.732 -4.797 1.00 0.00 C ATOM 457 CG LEU A 28 1.795 0.812 -6.041 1.00 0.00 C ATOM 458 CD1 LEU A 28 2.462 0.123 -7.222 1.00 0.00 C ATOM 459 CD2 LEU A 28 0.427 0.208 -5.764 1.00 0.00 C ATOM 0 H LEU A 28 4.314 1.795 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 28 2.746 2.761 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.393 -0.084 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.059 0.479 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 28 1.657 1.863 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.815 0.191 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.414 0.609 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.636 -0.926 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.189 0.275 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.542 -0.838 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.054 0.754 -4.952 1.00 0.00 H new ATOM 471 N ASN A 29 4.405 2.531 -2.324 1.00 0.00 N ATOM 472 CA ASN A 29 5.363 2.425 -1.245 1.00 0.00 C ATOM 473 C ASN A 29 4.743 1.650 -0.099 1.00 0.00 C ATOM 474 O ASN A 29 3.515 1.554 -0.008 1.00 0.00 O ATOM 475 CB ASN A 29 5.800 3.821 -0.791 1.00 0.00 C ATOM 476 CG ASN A 29 6.713 4.502 -1.796 1.00 0.00 C ATOM 477 OD1 ASN A 29 7.934 4.419 -1.699 1.00 0.00 O ATOM 478 ND2 ASN A 29 6.133 5.167 -2.783 1.00 0.00 N ATOM 0 H ASN A 29 3.689 3.244 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 29 6.248 1.891 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.917 4.440 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.314 3.743 0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.704 5.629 -3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.116 5.217 -2.835 1.00 0.00 H new ATOM 485 N PRO A 30 5.562 1.065 0.789 1.00 0.00 N ATOM 486 CA PRO A 30 5.040 0.313 1.915 1.00 0.00 C ATOM 487 C PRO A 30 4.230 1.209 2.833 1.00 0.00 C ATOM 488 O PRO A 30 4.457 2.418 2.896 1.00 0.00 O ATOM 489 CB PRO A 30 6.284 -0.219 2.632 1.00 0.00 C ATOM 490 CG PRO A 30 7.402 0.647 2.169 1.00 0.00 C ATOM 491 CD PRO A 30 7.034 1.111 0.781 1.00 0.00 C ATOM 0 HA PRO A 30 4.369 -0.487 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.167 -0.166 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.466 -1.264 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.539 1.496 2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.342 0.095 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.404 2.117 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.453 0.459 0.014 1.00 0.00 H new ATOM 499 N ILE A 31 3.287 0.614 3.539 1.00 0.00 N ATOM 500 CA ILE A 31 2.415 1.352 4.443 1.00 0.00 C ATOM 501 C ILE A 31 3.217 2.069 5.539 1.00 0.00 C ATOM 502 O ILE A 31 2.709 2.963 6.210 1.00 0.00 O ATOM 503 CB ILE A 31 1.366 0.417 5.094 1.00 0.00 C ATOM 504 CG1 ILE A 31 1.999 -0.525 6.138 1.00 0.00 C ATOM 505 CG2 ILE A 31 0.652 -0.393 4.022 1.00 0.00 C ATOM 506 CD1 ILE A 31 2.839 -1.644 5.554 1.00 0.00 C ATOM 0 H ILE A 31 3.102 -0.388 3.505 1.00 0.00 H new ATOM 0 HA ILE A 31 1.898 2.102 3.844 1.00 0.00 H new ATOM 0 HB ILE A 31 0.645 1.046 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.622 0.066 6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.204 -0.963 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.084 -1.047 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.149 0.283 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.379 -0.995 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.243 -2.255 6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.220 -2.263 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.659 -1.219 4.975 1.00 0.00 H new ATOM 518 N ARG A 32 4.479 1.678 5.690 1.00 0.00 N ATOM 519 CA ARG A 32 5.346 2.236 6.721 1.00 0.00 C ATOM 520 C ARG A 32 6.183 3.391 6.186 1.00 0.00 C ATOM 521 O ARG A 32 6.760 4.159 6.957 1.00 0.00 O ATOM 522 CB ARG A 32 6.277 1.157 7.255 1.00 0.00 C ATOM 523 CG ARG A 32 5.575 -0.157 7.504 1.00 0.00 C ATOM 524 CD ARG A 32 6.435 -1.095 8.318 1.00 0.00 C ATOM 525 NE ARG A 32 6.682 -0.584 9.661 1.00 0.00 N ATOM 526 CZ ARG A 32 7.644 -1.028 10.466 1.00 0.00 C ATOM 527 NH1 ARG A 32 8.465 -1.988 10.055 1.00 0.00 N ATOM 528 NH2 ARG A 32 7.781 -0.513 11.679 1.00 0.00 N ATOM 0 H ARG A 32 4.926 0.971 5.106 1.00 0.00 H new ATOM 0 HA ARG A 32 4.707 2.612 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.088 1.000 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.730 1.503 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.636 0.024 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.325 -0.624 6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.948 -2.068 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.386 -1.249 7.808 1.00 0.00 H new ATOM 0 HE ARG A 32 6.078 0.162 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.358 -2.385 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.202 -2.328 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.149 0.223 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.518 -0.853 12.297 1.00 0.00 H new ATOM 542 N ALA A 33 6.258 3.504 4.865 1.00 0.00 N ATOM 543 CA ALA A 33 7.071 4.536 4.238 1.00 0.00 C ATOM 544 C ALA A 33 6.421 5.892 4.396 1.00 0.00 C ATOM 545 O ALA A 33 5.199 6.008 4.386 1.00 0.00 O ATOM 546 CB ALA A 33 7.294 4.237 2.765 1.00 0.00 C ATOM 0 H ALA A 33 5.767 2.895 4.210 1.00 0.00 H new ATOM 0 HA ALA A 33 8.040 4.546 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.904 5.024 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.805 3.280 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.333 4.192 2.253 1.00 0.00 H new ATOM 552 N THR A 34 7.236 6.912 4.530 1.00 0.00 N ATOM 553 CA THR A 34 6.735 8.251 4.749 1.00 0.00 C ATOM 554 C THR A 34 6.402 8.944 3.434 1.00 0.00 C ATOM 555 O THR A 34 5.422 9.687 3.338 1.00 0.00 O ATOM 556 CB THR A 34 7.770 9.074 5.528 1.00 0.00 C ATOM 557 OG1 THR A 34 9.049 8.950 4.892 1.00 0.00 O ATOM 558 CG2 THR A 34 7.867 8.586 6.963 1.00 0.00 C ATOM 0 H THR A 34 8.253 6.841 4.491 1.00 0.00 H new ATOM 0 HA THR A 34 5.816 8.176 5.330 1.00 0.00 H new ATOM 0 HB THR A 34 7.459 10.119 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.712 9.476 5.386 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.606 9.181 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.896 8.688 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.169 7.539 6.972 1.00 0.00 H new ATOM 566 N LYS A 35 7.204 8.680 2.417 1.00 0.00 N ATOM 567 CA LYS A 35 7.035 9.329 1.136 1.00 0.00 C ATOM 568 C LYS A 35 7.379 8.376 0.008 1.00 0.00 C ATOM 569 O LYS A 35 7.659 7.200 0.235 1.00 0.00 O ATOM 570 CB LYS A 35 7.926 10.570 1.066 1.00 0.00 C ATOM 571 CG LYS A 35 9.404 10.264 1.202 1.00 0.00 C ATOM 572 CD LYS A 35 10.213 11.518 1.473 1.00 0.00 C ATOM 573 CE LYS A 35 11.590 11.180 2.017 1.00 0.00 C ATOM 574 NZ LYS A 35 12.360 12.393 2.398 1.00 0.00 N ATOM 0 H LYS A 35 7.979 8.019 2.457 1.00 0.00 H new ATOM 0 HA LYS A 35 5.992 9.628 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.754 11.077 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.633 11.263 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.555 9.551 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.763 9.789 0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.314 12.094 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.682 12.148 2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.485 10.531 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.147 10.620 1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.292 12.112 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.484 13.002 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.843 12.915 3.134 1.00 0.00 H new ATOM 588 N CYS A 36 7.356 8.899 -1.204 1.00 0.00 N ATOM 589 CA CYS A 36 7.734 8.133 -2.374 1.00 0.00 C ATOM 590 C CYS A 36 9.222 7.853 -2.314 1.00 0.00 C ATOM 591 O CYS A 36 10.006 8.766 -2.097 1.00 0.00 O ATOM 592 CB CYS A 36 7.418 8.938 -3.628 1.00 0.00 C ATOM 593 SG CYS A 36 7.896 8.143 -5.200 1.00 0.00 S ATOM 0 H CYS A 36 7.077 9.860 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 36 7.181 7.194 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.347 9.139 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.922 9.902 -3.559 1.00 0.00 H new ATOM 598 N ARG A 37 9.631 6.615 -2.489 1.00 0.00 N ATOM 599 CA ARG A 37 11.057 6.324 -2.508 1.00 0.00 C ATOM 600 C ARG A 37 11.630 6.505 -3.913 1.00 0.00 C ATOM 601 O ARG A 37 12.744 6.075 -4.207 1.00 0.00 O ATOM 602 CB ARG A 37 11.346 4.934 -1.940 1.00 0.00 C ATOM 603 CG ARG A 37 10.712 3.781 -2.696 1.00 0.00 C ATOM 604 CD ARG A 37 10.674 2.532 -1.827 1.00 0.00 C ATOM 605 NE ARG A 37 11.958 2.282 -1.172 1.00 0.00 N ATOM 606 CZ ARG A 37 12.128 2.254 0.153 1.00 0.00 C ATOM 607 NH1 ARG A 37 11.095 2.469 0.962 1.00 0.00 N ATOM 608 NH2 ARG A 37 13.328 2.027 0.667 1.00 0.00 N ATOM 0 H ARG A 37 9.019 5.809 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 37 11.561 7.040 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.426 4.785 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.001 4.903 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.701 4.050 -3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.277 3.581 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.896 2.640 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.406 1.672 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 37 12.773 2.119 -1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.171 2.656 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.226 2.447 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.126 1.873 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.454 2.006 1.679 1.00 0.00 H new ATOM 622 N ARG A 38 10.852 7.160 -4.775 1.00 0.00 N ATOM 623 CA ARG A 38 11.314 7.550 -6.105 1.00 0.00 C ATOM 624 C ARG A 38 11.365 9.076 -6.248 1.00 0.00 C ATOM 625 O ARG A 38 12.323 9.615 -6.790 1.00 0.00 O ATOM 626 CB ARG A 38 10.433 6.932 -7.198 1.00 0.00 C ATOM 627 CG ARG A 38 10.930 5.581 -7.697 1.00 0.00 C ATOM 628 CD ARG A 38 10.942 4.532 -6.596 1.00 0.00 C ATOM 629 NE ARG A 38 11.722 3.357 -6.980 1.00 0.00 N ATOM 630 CZ ARG A 38 11.638 2.165 -6.395 1.00 0.00 C ATOM 631 NH1 ARG A 38 10.739 1.934 -5.446 1.00 0.00 N ATOM 632 NH2 ARG A 38 12.455 1.195 -6.770 1.00 0.00 N ATOM 0 H ARG A 38 9.890 7.433 -4.572 1.00 0.00 H new ATOM 0 HA ARG A 38 12.327 7.166 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.420 6.816 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.377 7.622 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.294 5.241 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.936 5.692 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.358 4.964 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.919 4.232 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 38 12.379 3.458 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.101 2.675 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.686 1.015 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.144 1.363 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.396 0.279 -6.326 1.00 0.00 H new ATOM 646 N CYS A 39 10.346 9.772 -5.744 1.00 0.00 N ATOM 647 CA CYS A 39 10.346 11.239 -5.759 1.00 0.00 C ATOM 648 C CYS A 39 10.928 11.740 -4.463 1.00 0.00 C ATOM 649 O CYS A 39 11.620 12.753 -4.424 1.00 0.00 O ATOM 650 CB CYS A 39 8.937 11.849 -5.849 1.00 0.00 C ATOM 651 SG CYS A 39 7.896 11.321 -7.236 1.00 0.00 S ATOM 0 H CYS A 39 9.517 9.351 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 39 10.920 11.532 -6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.409 11.619 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.040 12.933 -5.897 1.00 0.00 H new ATOM 656 N HIS A 40 10.626 10.997 -3.400 1.00 0.00 N ATOM 657 CA HIS A 40 10.793 11.481 -2.045 1.00 0.00 C ATOM 658 C HIS A 40 9.846 12.641 -1.842 1.00 0.00 C ATOM 659 O HIS A 40 10.219 13.735 -1.419 1.00 0.00 O ATOM 660 CB HIS A 40 12.229 11.863 -1.729 1.00 0.00 C ATOM 661 CG HIS A 40 13.177 10.715 -1.850 1.00 0.00 C ATOM 662 ND1 HIS A 40 14.299 10.744 -2.646 1.00 0.00 N ATOM 663 CD2 HIS A 40 13.154 9.492 -1.275 1.00 0.00 C ATOM 664 CE1 HIS A 40 14.928 9.586 -2.559 1.00 0.00 C ATOM 665 NE2 HIS A 40 14.252 8.809 -1.733 1.00 0.00 N ATOM 0 H HIS A 40 10.260 10.047 -3.461 1.00 0.00 H new ATOM 0 HA HIS A 40 10.554 10.677 -1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.544 12.660 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.279 12.263 -0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.411 9.122 -0.584 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.839 9.320 -3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 40 14.505 7.855 -1.477 1.00 0.00 H new ATOM 674 N SER A 41 8.604 12.350 -2.159 1.00 0.00 N ATOM 675 CA SER A 41 7.527 13.295 -2.125 1.00 0.00 C ATOM 676 C SER A 41 6.391 12.613 -1.410 1.00 0.00 C ATOM 677 O SER A 41 6.049 11.473 -1.736 1.00 0.00 O ATOM 678 CB SER A 41 7.119 13.676 -3.551 1.00 0.00 C ATOM 679 OG SER A 41 8.192 14.295 -4.242 1.00 0.00 O ATOM 0 H SER A 41 8.314 11.418 -2.456 1.00 0.00 H new ATOM 0 HA SER A 41 7.814 14.214 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.800 12.785 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.265 14.352 -3.520 1.00 0.00 H new ATOM 0 HG SER A 41 7.865 14.669 -5.087 1.00 0.00 H new ATOM 685 N THR A 42 5.836 13.268 -0.425 1.00 0.00 N ATOM 686 CA THR A 42 4.837 12.658 0.417 1.00 0.00 C ATOM 687 C THR A 42 3.460 12.724 -0.237 1.00 0.00 C ATOM 688 O THR A 42 2.437 12.884 0.424 1.00 0.00 O ATOM 689 CB THR A 42 4.849 13.355 1.780 1.00 0.00 C ATOM 690 OG1 THR A 42 4.770 14.775 1.589 1.00 0.00 O ATOM 691 CG2 THR A 42 6.136 13.006 2.513 1.00 0.00 C ATOM 0 H THR A 42 6.060 14.233 -0.183 1.00 0.00 H new ATOM 0 HA THR A 42 5.068 11.602 0.557 1.00 0.00 H new ATOM 0 HB THR A 42 3.995 13.023 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.776 15.223 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.147 13.501 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.193 11.927 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.991 13.340 1.926 1.00 0.00 H new ATOM 699 N ASN A 43 3.456 12.556 -1.556 1.00 0.00 N ATOM 700 CA ASN A 43 2.243 12.633 -2.351 1.00 0.00 C ATOM 701 C ASN A 43 1.778 11.234 -2.719 1.00 0.00 C ATOM 702 O ASN A 43 1.680 10.878 -3.896 1.00 0.00 O ATOM 703 CB ASN A 43 2.494 13.442 -3.626 1.00 0.00 C ATOM 704 CG ASN A 43 2.534 14.946 -3.404 1.00 0.00 C ATOM 705 OD1 ASN A 43 2.925 15.373 -2.211 1.00 0.00 O flip ATOM 706 ND2 ASN A 43 2.212 15.718 -4.305 1.00 0.00 N flip ATOM 0 H ASN A 43 4.296 12.363 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 43 1.471 13.129 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.439 13.124 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.712 13.212 -4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.917 15.351 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.240 16.725 -4.148 1.00 0.00 H new ATOM 713 N LEU A 44 1.499 10.442 -1.706 1.00 0.00 N ATOM 714 CA LEU A 44 1.014 9.090 -1.909 1.00 0.00 C ATOM 715 C LEU A 44 -0.465 9.033 -1.568 1.00 0.00 C ATOM 716 O LEU A 44 -0.994 9.951 -0.942 1.00 0.00 O ATOM 717 CB LEU A 44 1.799 8.115 -1.030 1.00 0.00 C ATOM 718 CG LEU A 44 3.300 8.396 -0.940 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.951 7.471 0.075 1.00 0.00 C ATOM 720 CD2 LEU A 44 3.960 8.237 -2.298 1.00 0.00 C ATOM 0 H LEU A 44 1.600 10.711 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 44 1.154 8.805 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.379 8.136 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.655 7.105 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 44 3.436 9.427 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.019 7.683 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.500 7.631 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.801 6.435 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.027 8.442 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.814 7.218 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.513 8.937 -3.004 1.00 0.00 H new ATOM 732 N ARG A 45 -1.141 7.991 -2.012 1.00 0.00 N ATOM 733 CA ARG A 45 -2.518 7.762 -1.618 1.00 0.00 C ATOM 734 C ARG A 45 -2.734 6.290 -1.304 1.00 0.00 C ATOM 735 O ARG A 45 -2.370 5.417 -2.094 1.00 0.00 O ATOM 736 CB ARG A 45 -3.506 8.239 -2.693 1.00 0.00 C ATOM 737 CG ARG A 45 -3.270 7.653 -4.075 1.00 0.00 C ATOM 738 CD ARG A 45 -2.531 8.630 -4.978 1.00 0.00 C ATOM 739 NE ARG A 45 -2.310 8.084 -6.316 1.00 0.00 N ATOM 740 CZ ARG A 45 -3.132 8.286 -7.348 1.00 0.00 C ATOM 741 NH1 ARG A 45 -4.268 8.958 -7.183 1.00 0.00 N ATOM 742 NH2 ARG A 45 -2.828 7.795 -8.542 1.00 0.00 N ATOM 0 H ARG A 45 -0.759 7.289 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.711 8.349 -0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.518 7.988 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.453 9.326 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.695 6.731 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.226 7.390 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.102 9.555 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.571 8.884 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.478 7.515 -6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.516 9.323 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.891 9.109 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.967 7.264 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.455 7.949 -9.331 1.00 0.00 H new ATOM 756 N LEU A 46 -3.296 6.027 -0.137 1.00 0.00 N ATOM 757 CA LEU A 46 -3.569 4.669 0.304 1.00 0.00 C ATOM 758 C LEU A 46 -4.836 4.174 -0.378 1.00 0.00 C ATOM 759 O LEU A 46 -5.914 4.746 -0.192 1.00 0.00 O ATOM 760 CB LEU A 46 -3.705 4.649 1.840 1.00 0.00 C ATOM 761 CG LEU A 46 -3.736 3.272 2.529 1.00 0.00 C ATOM 762 CD1 LEU A 46 -5.108 2.625 2.425 1.00 0.00 C ATOM 763 CD2 LEU A 46 -2.677 2.357 1.942 1.00 0.00 C ATOM 0 H LEU A 46 -3.575 6.746 0.530 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.750 4.003 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.875 5.217 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.620 5.179 2.104 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.520 3.429 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.092 1.655 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.849 3.265 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.368 2.490 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.715 1.389 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.862 2.223 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.692 2.801 2.086 1.00 0.00 H new ATOM 775 N LYS A 47 -4.696 3.135 -1.192 1.00 0.00 N ATOM 776 CA LYS A 47 -5.830 2.582 -1.916 1.00 0.00 C ATOM 777 C LYS A 47 -6.814 1.950 -0.946 1.00 0.00 C ATOM 778 O LYS A 47 -6.446 1.120 -0.114 1.00 0.00 O ATOM 779 CB LYS A 47 -5.368 1.561 -2.959 1.00 0.00 C ATOM 780 CG LYS A 47 -4.564 2.174 -4.094 1.00 0.00 C ATOM 781 CD LYS A 47 -4.250 1.152 -5.174 1.00 0.00 C ATOM 782 CE LYS A 47 -3.496 1.789 -6.328 1.00 0.00 C ATOM 783 NZ LYS A 47 -3.201 0.818 -7.411 1.00 0.00 N ATOM 0 H LYS A 47 -3.810 2.660 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.331 3.394 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.764 0.799 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.241 1.057 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.122 3.004 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.634 2.586 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.656 0.342 -4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.176 0.710 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.083 2.614 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.562 2.214 -5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.686 1.298 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.618 0.044 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.092 0.431 -7.783 1.00 0.00 H new ATOM 797 N LYS A 48 -8.066 2.355 -1.054 1.00 0.00 N ATOM 798 CA LYS A 48 -9.088 1.921 -0.124 1.00 0.00 C ATOM 799 C LYS A 48 -9.686 0.593 -0.568 1.00 0.00 C ATOM 800 O LYS A 48 -9.618 0.236 -1.742 1.00 0.00 O ATOM 801 CB LYS A 48 -10.178 2.990 -0.022 1.00 0.00 C ATOM 802 CG LYS A 48 -10.990 2.918 1.252 1.00 0.00 C ATOM 803 CD LYS A 48 -10.121 3.273 2.441 1.00 0.00 C ATOM 804 CE LYS A 48 -9.624 4.711 2.363 1.00 0.00 C ATOM 805 NZ LYS A 48 -10.737 5.694 2.394 1.00 0.00 N ATOM 0 H LYS A 48 -8.399 2.988 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.636 1.778 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.715 3.974 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.849 2.893 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.836 3.602 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.399 1.915 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.688 3.133 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.269 2.595 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.947 4.905 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.049 4.845 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.353 6.649 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.251 5.665 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.388 5.457 3.170 1.00 0.00 H new ATOM 819 N LYS A 49 -10.275 -0.130 0.375 1.00 0.00 N ATOM 820 CA LYS A 49 -10.878 -1.425 0.085 1.00 0.00 C ATOM 821 C LYS A 49 -12.323 -1.262 -0.375 1.00 0.00 C ATOM 822 O LYS A 49 -13.052 -2.244 -0.527 1.00 0.00 O ATOM 823 CB LYS A 49 -10.819 -2.327 1.321 1.00 0.00 C ATOM 824 CG LYS A 49 -9.406 -2.702 1.741 1.00 0.00 C ATOM 825 CD LYS A 49 -8.676 -3.472 0.648 1.00 0.00 C ATOM 826 CE LYS A 49 -9.409 -4.751 0.261 1.00 0.00 C ATOM 827 NZ LYS A 49 -9.646 -5.642 1.429 1.00 0.00 N ATOM 0 H LYS A 49 -10.348 0.159 1.350 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.311 -1.890 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.313 -1.822 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.383 -3.238 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.847 -1.798 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.445 -3.306 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.567 -2.837 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.671 -3.720 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.364 -4.495 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.828 -5.287 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.573 -6.635 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.934 -5.449 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.596 -5.465 1.813 1.00 0.00 H new ATOM 841 N GLU A 50 -12.732 -0.023 -0.592 1.00 0.00 N ATOM 842 CA GLU A 50 -14.073 0.267 -1.067 1.00 0.00 C ATOM 843 C GLU A 50 -13.997 0.927 -2.437 1.00 0.00 C ATOM 844 O GLU A 50 -13.364 1.970 -2.600 1.00 0.00 O ATOM 845 CB GLU A 50 -14.815 1.168 -0.084 1.00 0.00 C ATOM 846 CG GLU A 50 -16.306 1.233 -0.351 1.00 0.00 C ATOM 847 CD GLU A 50 -16.984 -0.116 -0.207 1.00 0.00 C ATOM 848 OE1 GLU A 50 -17.368 -0.472 0.925 1.00 0.00 O ATOM 849 OE2 GLU A 50 -17.137 -0.824 -1.226 1.00 0.00 O ATOM 0 H GLU A 50 -12.150 0.802 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.626 -0.669 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.648 0.805 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.398 2.174 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.764 1.941 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.475 1.615 -1.358 1.00 0.00 H new ATOM 856 N LEU A 51 -14.633 0.306 -3.413 1.00 0.00 N ATOM 857 CA LEU A 51 -14.583 0.781 -4.787 1.00 0.00 C ATOM 858 C LEU A 51 -15.858 1.533 -5.135 1.00 0.00 C ATOM 859 O LEU A 51 -16.849 1.452 -4.405 1.00 0.00 O ATOM 860 CB LEU A 51 -14.395 -0.393 -5.759 1.00 0.00 C ATOM 861 CG LEU A 51 -13.026 -1.079 -5.728 1.00 0.00 C ATOM 862 CD1 LEU A 51 -12.881 -1.968 -4.500 1.00 0.00 C ATOM 863 CD2 LEU A 51 -12.815 -1.881 -7.000 1.00 0.00 C ATOM 0 H LEU A 51 -15.195 -0.535 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.733 1.457 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.159 -1.141 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.576 -0.033 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.259 -0.307 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.899 -2.441 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.987 -1.364 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.654 -2.737 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.839 -2.365 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.593 -2.640 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.862 -1.215 -7.862 1.00 0.00 H new ATOM 875 N PRO A 52 -15.850 2.295 -6.243 1.00 0.00 N ATOM 876 CA PRO A 52 -17.053 2.957 -6.746 1.00 0.00 C ATOM 877 C PRO A 52 -18.139 1.955 -7.133 1.00 0.00 C ATOM 878 O PRO A 52 -19.326 2.288 -7.143 1.00 0.00 O ATOM 879 CB PRO A 52 -16.567 3.725 -7.980 1.00 0.00 C ATOM 880 CG PRO A 52 -15.091 3.836 -7.812 1.00 0.00 C ATOM 881 CD PRO A 52 -14.669 2.604 -7.068 1.00 0.00 C ATOM 0 HA PRO A 52 -17.506 3.599 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.820 3.196 -8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.032 4.709 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.591 3.899 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.827 4.737 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -14.425 1.786 -7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.785 2.785 -6.456 1.00 0.00 H new ATOM 889 N THR A 53 -17.711 0.733 -7.459 1.00 0.00 N ATOM 890 CA THR A 53 -18.610 -0.359 -7.829 1.00 0.00 C ATOM 891 C THR A 53 -19.157 -0.158 -9.242 1.00 0.00 C ATOM 892 O THR A 53 -18.905 -0.977 -10.127 1.00 0.00 O ATOM 893 CB THR A 53 -19.771 -0.517 -6.819 1.00 0.00 C ATOM 894 OG1 THR A 53 -19.244 -0.628 -5.486 1.00 0.00 O ATOM 895 CG2 THR A 53 -20.612 -1.745 -7.138 1.00 0.00 C ATOM 0 H THR A 53 -16.725 0.473 -7.473 1.00 0.00 H new ATOM 0 HA THR A 53 -18.025 -1.279 -7.807 1.00 0.00 H new ATOM 0 HB THR A 53 -20.408 0.365 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 53 -19.983 -0.726 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 -21.420 -1.831 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 53 -21.032 -1.648 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 53 -19.986 -2.636 -7.092 1.00 0.00 H new ATOM 903 N LYS A 54 -19.882 0.945 -9.435 1.00 0.00 N ATOM 904 CA LYS A 54 -20.429 1.333 -10.738 1.00 0.00 C ATOM 905 C LYS A 54 -21.451 0.326 -11.263 1.00 0.00 C ATOM 906 O LYS A 54 -21.100 -0.764 -11.724 1.00 0.00 O ATOM 907 CB LYS A 54 -19.312 1.536 -11.767 1.00 0.00 C ATOM 908 CG LYS A 54 -18.286 2.582 -11.358 1.00 0.00 C ATOM 909 CD LYS A 54 -17.294 2.891 -12.475 1.00 0.00 C ATOM 910 CE LYS A 54 -16.388 1.709 -12.809 1.00 0.00 C ATOM 911 NZ LYS A 54 -17.057 0.694 -13.669 1.00 0.00 N ATOM 0 H LYS A 54 -20.108 1.600 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.947 2.280 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.804 0.586 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -19.756 1.828 -12.719 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.801 3.498 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.743 2.231 -10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.842 3.186 -13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.679 3.742 -12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.494 2.074 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.060 1.235 -11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.247 -0.163 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.954 1.080 -14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.438 0.455 -14.470 1.00 0.00 H new ATOM 925 N LYS A 55 -22.716 0.705 -11.191 1.00 0.00 N ATOM 926 CA LYS A 55 -23.793 -0.102 -11.743 1.00 0.00 C ATOM 927 C LYS A 55 -24.940 0.799 -12.182 1.00 0.00 C ATOM 928 O LYS A 55 -25.465 1.587 -11.388 1.00 0.00 O ATOM 929 CB LYS A 55 -24.289 -1.124 -10.720 1.00 0.00 C ATOM 930 CG LYS A 55 -25.309 -2.095 -11.293 1.00 0.00 C ATOM 931 CD LYS A 55 -25.836 -3.049 -10.236 1.00 0.00 C ATOM 932 CE LYS A 55 -26.600 -2.311 -9.146 1.00 0.00 C ATOM 933 NZ LYS A 55 -27.139 -3.243 -8.124 1.00 0.00 N ATOM 0 H LYS A 55 -23.024 1.573 -10.753 1.00 0.00 H new ATOM 0 HA LYS A 55 -23.410 -0.645 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -23.438 -1.686 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -24.732 -0.597 -9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -26.139 -1.537 -11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -24.853 -2.665 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -26.489 -3.786 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -25.004 -3.596 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -25.941 -1.587 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -27.419 -1.749 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -27.653 -2.703 -7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -27.787 -3.918 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -26.355 -3.762 -7.679 1.00 0.00 H new ATOM 947 N GLY A 56 -25.321 0.683 -13.439 1.00 0.00 N ATOM 948 CA GLY A 56 -26.355 1.528 -13.989 1.00 0.00 C ATOM 949 C GLY A 56 -27.547 0.728 -14.460 1.00 0.00 C ATOM 950 O GLY A 56 -27.878 -0.286 -13.810 1.00 0.00 O ATOM 951 OXT GLY A 56 -28.141 1.099 -15.496 1.00 0.00 O ATOM 0 H GLY A 56 -24.928 0.010 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -26.676 2.247 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -25.950 2.101 -14.823 1.00 0.00 H new TER 955 GLY A 56 HETATM 956 ZN ZN A 57 7.007 9.194 -7.064 1.00 0.00 ZN