USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0407 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0883 K(o=-0.088,f=-0.6) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 67:sc= 0.668 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 27:sc= 0.00704 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc=-0.00732 X(o=-0.0073,f=-0.046) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 44 GLN : amide:sc= -4.21 K(o=-4.2,f=-5.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0992 X(o=-0.099,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.047) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0551) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.233 11.102 -18.513 1.00 0.00 N ATOM 2 CA MET A 1 81.755 10.680 -17.166 1.00 0.00 C ATOM 3 C MET A 1 80.466 11.431 -16.826 1.00 0.00 C ATOM 4 O MET A 1 80.245 12.537 -17.283 1.00 0.00 O ATOM 5 CB MET A 1 82.824 11.000 -16.119 1.00 0.00 C ATOM 6 CG MET A 1 82.658 10.068 -14.916 1.00 0.00 C ATOM 7 SD MET A 1 83.981 10.383 -13.721 1.00 0.00 S ATOM 8 CE MET A 1 84.016 8.734 -12.975 1.00 0.00 C ATOM 0 H1 MET A 1 82.222 10.285 -19.157 1.00 0.00 H new ATOM 0 H2 MET A 1 81.608 11.845 -18.886 1.00 0.00 H new ATOM 0 H3 MET A 1 83.203 11.471 -18.438 1.00 0.00 H new ATOM 0 HA MET A 1 81.562 9.607 -17.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 83.818 10.880 -16.551 1.00 0.00 H new ATOM 0 HB3 MET A 1 82.737 12.039 -15.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 81.686 10.229 -14.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 82.687 9.028 -15.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 84.778 8.703 -12.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 83.042 8.511 -12.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 84.250 7.993 -13.740 1.00 0.00 H new ATOM 20 N GLU A 2 79.616 10.836 -16.028 1.00 0.00 N ATOM 21 CA GLU A 2 78.337 11.508 -15.653 1.00 0.00 C ATOM 22 C GLU A 2 78.036 11.258 -14.172 1.00 0.00 C ATOM 23 O GLU A 2 77.650 12.159 -13.450 1.00 0.00 O ATOM 24 CB GLU A 2 77.196 10.949 -16.506 1.00 0.00 C ATOM 25 CG GLU A 2 75.948 11.813 -16.317 1.00 0.00 C ATOM 26 CD GLU A 2 74.803 11.250 -17.161 1.00 0.00 C ATOM 27 OE1 GLU A 2 74.545 10.062 -17.057 1.00 0.00 O ATOM 28 OE2 GLU A 2 74.204 12.016 -17.897 1.00 0.00 O ATOM 0 H GLU A 2 79.754 9.912 -15.620 1.00 0.00 H new ATOM 0 HA GLU A 2 78.430 12.580 -15.826 1.00 0.00 H new ATOM 0 HB2 GLU A 2 77.486 10.935 -17.557 1.00 0.00 H new ATOM 0 HB3 GLU A 2 76.985 9.919 -16.220 1.00 0.00 H new ATOM 0 HG2 GLU A 2 75.663 11.833 -15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 2 76.158 12.842 -16.610 1.00 0.00 H new ATOM 35 N THR A 3 78.210 10.043 -13.717 1.00 0.00 N ATOM 36 CA THR A 3 77.937 9.726 -12.289 1.00 0.00 C ATOM 37 C THR A 3 79.193 9.987 -11.461 1.00 0.00 C ATOM 38 O THR A 3 80.302 9.943 -11.962 1.00 0.00 O ATOM 39 CB THR A 3 77.539 8.253 -12.162 1.00 0.00 C ATOM 40 OG1 THR A 3 76.702 7.896 -13.253 1.00 0.00 O ATOM 41 CG2 THR A 3 76.789 8.036 -10.847 1.00 0.00 C ATOM 0 H THR A 3 78.531 9.255 -14.279 1.00 0.00 H new ATOM 0 HA THR A 3 77.125 10.355 -11.925 1.00 0.00 H new ATOM 0 HB THR A 3 78.434 7.632 -12.172 1.00 0.00 H new ATOM 0 HG1 THR A 3 76.447 6.953 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 3 76.506 6.987 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 3 77.433 8.310 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 3 75.892 8.656 -10.833 1.00 0.00 H new ATOM 49 N LEU A 4 79.021 10.260 -10.198 1.00 0.00 N ATOM 50 CA LEU A 4 80.191 10.530 -9.314 1.00 0.00 C ATOM 51 C LEU A 4 79.922 9.955 -7.921 1.00 0.00 C ATOM 52 O LEU A 4 78.907 9.327 -7.685 1.00 0.00 O ATOM 53 CB LEU A 4 80.418 12.041 -9.209 1.00 0.00 C ATOM 54 CG LEU A 4 79.131 12.727 -8.732 1.00 0.00 C ATOM 55 CD1 LEU A 4 79.184 12.932 -7.212 1.00 0.00 C ATOM 56 CD2 LEU A 4 78.991 14.084 -9.428 1.00 0.00 C ATOM 0 H LEU A 4 78.113 10.308 -9.736 1.00 0.00 H new ATOM 0 HA LEU A 4 81.079 10.060 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 4 81.231 12.249 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 4 80.717 12.441 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 4 78.274 12.100 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 4 78.268 13.419 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 4 79.281 11.965 -6.718 1.00 0.00 H new ATOM 0 HD13 LEU A 4 80.040 13.557 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 4 78.077 14.573 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 4 79.849 14.709 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 4 78.947 13.937 -10.507 1.00 0.00 H new ATOM 68 N VAL A 5 80.827 10.167 -6.998 1.00 0.00 N ATOM 69 CA VAL A 5 80.634 9.638 -5.616 1.00 0.00 C ATOM 70 C VAL A 5 80.636 10.806 -4.620 1.00 0.00 C ATOM 71 O VAL A 5 81.572 10.992 -3.865 1.00 0.00 O ATOM 72 CB VAL A 5 81.768 8.651 -5.294 1.00 0.00 C ATOM 73 CG1 VAL A 5 83.130 9.356 -5.386 1.00 0.00 C ATOM 74 CG2 VAL A 5 81.571 8.077 -3.884 1.00 0.00 C ATOM 0 H VAL A 5 81.693 10.685 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 5 79.679 9.117 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 5 81.745 7.838 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 5 83.924 8.645 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 5 83.272 9.744 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 5 83.162 10.180 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 5 82.377 7.378 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 5 81.581 8.888 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 5 80.615 7.557 -3.833 1.00 0.00 H new ATOM 84 N GLN A 6 79.589 11.593 -4.618 1.00 0.00 N ATOM 85 CA GLN A 6 79.520 12.749 -3.677 1.00 0.00 C ATOM 86 C GLN A 6 78.061 13.023 -3.300 1.00 0.00 C ATOM 87 O GLN A 6 77.703 14.133 -2.955 1.00 0.00 O ATOM 88 CB GLN A 6 80.112 13.990 -4.350 1.00 0.00 C ATOM 89 CG GLN A 6 80.634 14.950 -3.279 1.00 0.00 C ATOM 90 CD GLN A 6 81.803 15.760 -3.843 1.00 0.00 C ATOM 91 OE1 GLN A 6 82.523 15.293 -4.702 1.00 0.00 O ATOM 92 NE2 GLN A 6 82.022 16.964 -3.391 1.00 0.00 N ATOM 0 H GLN A 6 78.779 11.483 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 6 80.088 12.514 -2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 6 80.921 13.702 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 6 79.354 14.484 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 6 79.837 15.619 -2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 6 80.956 14.391 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 6 81.417 17.356 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 6 82.798 17.514 -3.759 1.00 0.00 H new ATOM 101 N ALA A 7 77.219 12.020 -3.360 1.00 0.00 N ATOM 102 CA ALA A 7 75.790 12.218 -3.004 1.00 0.00 C ATOM 103 C ALA A 7 75.646 12.226 -1.482 1.00 0.00 C ATOM 104 O ALA A 7 76.620 12.133 -0.758 1.00 0.00 O ATOM 105 CB ALA A 7 74.953 11.084 -3.597 1.00 0.00 C ATOM 0 H ALA A 7 77.466 11.071 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 7 75.440 13.169 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 7 73.905 11.230 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 7 75.059 11.082 -4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 7 75.297 10.130 -3.197 1.00 0.00 H new ATOM 111 N ARG A 8 74.438 12.342 -0.993 1.00 0.00 N ATOM 112 CA ARG A 8 74.221 12.364 0.478 1.00 0.00 C ATOM 113 C ARG A 8 73.524 11.076 0.923 1.00 0.00 C ATOM 114 O ARG A 8 73.927 10.447 1.883 1.00 0.00 O ATOM 115 CB ARG A 8 73.353 13.568 0.849 1.00 0.00 C ATOM 116 CG ARG A 8 74.241 14.802 1.022 1.00 0.00 C ATOM 117 CD ARG A 8 74.692 15.305 -0.350 1.00 0.00 C ATOM 118 NE ARG A 8 74.827 16.788 -0.315 1.00 0.00 N ATOM 119 CZ ARG A 8 74.015 17.536 -1.012 1.00 0.00 C ATOM 120 NH1 ARG A 8 72.745 17.240 -1.076 1.00 0.00 N ATOM 121 NH2 ARG A 8 74.472 18.581 -1.645 1.00 0.00 N ATOM 0 H ARG A 8 73.591 12.423 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 8 75.186 12.440 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 8 72.610 13.747 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 8 72.808 13.367 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.694 15.586 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 8 75.109 14.555 1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 8 75.644 14.849 -0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.969 15.013 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 8 75.555 17.220 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 8 72.386 16.424 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 8 72.112 17.825 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.464 18.814 -1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 8 73.838 19.165 -2.189 1.00 0.00 H new ATOM 135 N LYS A 9 72.483 10.681 0.234 1.00 0.00 N ATOM 136 CA LYS A 9 71.760 9.439 0.613 1.00 0.00 C ATOM 137 C LYS A 9 71.452 8.618 -0.643 1.00 0.00 C ATOM 138 O LYS A 9 70.306 8.419 -1.005 1.00 0.00 O ATOM 139 CB LYS A 9 70.458 9.797 1.340 1.00 0.00 C ATOM 140 CG LYS A 9 69.591 10.692 0.448 1.00 0.00 C ATOM 141 CD LYS A 9 68.801 11.668 1.323 1.00 0.00 C ATOM 142 CE LYS A 9 68.379 12.880 0.488 1.00 0.00 C ATOM 143 NZ LYS A 9 67.299 12.481 -0.457 1.00 0.00 N ATOM 0 H LYS A 9 72.105 11.170 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 9 72.386 8.847 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.913 8.889 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 9 70.683 10.310 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 9 70.218 11.241 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.908 10.082 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 9 67.921 11.173 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 9 69.410 11.990 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 9 68.029 13.680 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 9 69.234 13.270 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 67.012 13.304 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.649 11.731 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.481 12.129 0.080 1.00 0.00 H new ATOM 157 N ARG A 10 72.473 8.138 -1.307 1.00 0.00 N ATOM 158 CA ARG A 10 72.260 7.327 -2.533 1.00 0.00 C ATOM 159 C ARG A 10 72.460 5.846 -2.199 1.00 0.00 C ATOM 160 O ARG A 10 73.322 5.182 -2.746 1.00 0.00 O ATOM 161 CB ARG A 10 73.258 7.759 -3.613 1.00 0.00 C ATOM 162 CG ARG A 10 72.716 7.381 -5.000 1.00 0.00 C ATOM 163 CD ARG A 10 72.801 8.589 -5.936 1.00 0.00 C ATOM 164 NE ARG A 10 72.263 8.221 -7.276 1.00 0.00 N ATOM 165 CZ ARG A 10 72.066 9.146 -8.175 1.00 0.00 C ATOM 166 NH1 ARG A 10 71.048 9.956 -8.067 1.00 0.00 N ATOM 167 NH2 ARG A 10 72.885 9.259 -9.184 1.00 0.00 N ATOM 0 H ARG A 10 73.449 8.277 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 10 71.247 7.480 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 10 73.425 8.835 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 10 74.221 7.278 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 10 73.289 6.550 -5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 10 71.682 7.045 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 72.235 9.423 -5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 10 73.836 8.920 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 10 72.049 7.247 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 10 70.406 9.866 -7.280 1.00 0.00 H new ATOM 0 HH12 ARG A 10 70.895 10.679 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 10 73.679 8.624 -9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 10 72.731 9.982 -9.887 1.00 0.00 H new ATOM 181 N LYS A 11 71.664 5.328 -1.301 1.00 0.00 N ATOM 182 CA LYS A 11 71.790 3.899 -0.916 1.00 0.00 C ATOM 183 C LYS A 11 70.406 3.332 -0.601 1.00 0.00 C ATOM 184 O LYS A 11 69.995 3.277 0.543 1.00 0.00 O ATOM 185 CB LYS A 11 72.683 3.781 0.319 1.00 0.00 C ATOM 186 CG LYS A 11 73.165 2.336 0.465 1.00 0.00 C ATOM 187 CD LYS A 11 74.555 2.321 1.113 1.00 0.00 C ATOM 188 CE LYS A 11 74.650 1.163 2.111 1.00 0.00 C ATOM 189 NZ LYS A 11 75.393 0.031 1.489 1.00 0.00 N ATOM 0 H LYS A 11 70.928 5.841 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 11 72.233 3.338 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 11 73.537 4.453 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 11 72.132 4.083 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 11 72.462 1.767 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 11 73.203 1.854 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 11 75.323 2.216 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 11 74.739 3.267 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.158 1.491 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 11 73.652 0.839 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 75.458 -0.756 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 74.890 -0.287 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 76.350 0.345 1.230 1.00 0.00 H new ATOM 203 N ARG A 12 69.687 2.913 -1.609 1.00 0.00 N ATOM 204 CA ARG A 12 68.326 2.346 -1.381 1.00 0.00 C ATOM 205 C ARG A 12 68.374 0.821 -1.537 1.00 0.00 C ATOM 206 O ARG A 12 67.376 0.191 -1.835 1.00 0.00 O ATOM 207 CB ARG A 12 67.355 2.947 -2.407 1.00 0.00 C ATOM 208 CG ARG A 12 66.110 3.484 -1.694 1.00 0.00 C ATOM 209 CD ARG A 12 65.605 4.732 -2.421 1.00 0.00 C ATOM 210 NE ARG A 12 66.638 5.806 -2.343 1.00 0.00 N ATOM 211 CZ ARG A 12 66.481 6.918 -3.011 1.00 0.00 C ATOM 212 NH1 ARG A 12 65.298 7.462 -3.113 1.00 0.00 N ATOM 213 NH2 ARG A 12 67.509 7.489 -3.577 1.00 0.00 N ATOM 0 H ARG A 12 69.985 2.939 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 12 67.987 2.589 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 12 67.845 3.751 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 12 67.069 2.190 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 12 65.332 2.721 -1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 12 66.347 3.724 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 12 65.388 4.496 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 64.673 5.076 -1.972 1.00 0.00 H new ATOM 0 HE ARG A 12 67.469 5.672 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 12 64.493 7.019 -2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 12 65.179 8.330 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 68.434 7.067 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 67.387 8.357 -4.099 1.00 0.00 H new ATOM 227 N THR A 13 69.524 0.224 -1.330 1.00 0.00 N ATOM 228 CA THR A 13 69.637 -1.259 -1.457 1.00 0.00 C ATOM 229 C THR A 13 69.223 -1.939 -0.140 1.00 0.00 C ATOM 230 O THR A 13 69.332 -3.143 -0.003 1.00 0.00 O ATOM 231 CB THR A 13 71.089 -1.626 -1.784 1.00 0.00 C ATOM 232 OG1 THR A 13 71.665 -0.597 -2.576 1.00 0.00 O ATOM 233 CG2 THR A 13 71.135 -2.951 -2.553 1.00 0.00 C ATOM 0 H THR A 13 70.389 0.703 -1.078 1.00 0.00 H new ATOM 0 HA THR A 13 68.977 -1.601 -2.254 1.00 0.00 H new ATOM 0 HB THR A 13 71.650 -1.735 -0.856 1.00 0.00 H new ATOM 0 HG1 THR A 13 72.594 -0.827 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 13 72.171 -3.204 -2.781 1.00 0.00 H new ATOM 0 HG22 THR A 13 70.694 -3.741 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 13 70.573 -2.852 -3.482 1.00 0.00 H new ATOM 241 N SER A 14 68.749 -1.184 0.827 1.00 0.00 N ATOM 242 CA SER A 14 68.330 -1.790 2.123 1.00 0.00 C ATOM 243 C SER A 14 67.004 -1.164 2.562 1.00 0.00 C ATOM 244 O SER A 14 66.392 -0.412 1.825 1.00 0.00 O ATOM 245 CB SER A 14 69.398 -1.519 3.186 1.00 0.00 C ATOM 246 OG SER A 14 70.133 -0.352 2.835 1.00 0.00 O ATOM 0 H SER A 14 68.636 -0.172 0.768 1.00 0.00 H new ATOM 0 HA SER A 14 68.208 -2.866 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 68.930 -1.387 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 14 70.070 -2.374 3.268 1.00 0.00 H new ATOM 0 HG SER A 14 70.815 -0.178 3.517 1.00 0.00 H new ATOM 252 N ILE A 15 66.558 -1.464 3.755 1.00 0.00 N ATOM 253 CA ILE A 15 65.273 -0.885 4.244 1.00 0.00 C ATOM 254 C ILE A 15 65.551 0.402 5.017 1.00 0.00 C ATOM 255 O ILE A 15 65.580 0.405 6.235 1.00 0.00 O ATOM 256 CB ILE A 15 64.551 -1.902 5.149 1.00 0.00 C ATOM 257 CG1 ILE A 15 64.070 -3.090 4.300 1.00 0.00 C ATOM 258 CG2 ILE A 15 63.340 -1.245 5.843 1.00 0.00 C ATOM 259 CD1 ILE A 15 63.076 -2.608 3.232 1.00 0.00 C ATOM 0 H ILE A 15 67.030 -2.086 4.412 1.00 0.00 H new ATOM 0 HA ILE A 15 64.633 -0.657 3.392 1.00 0.00 H new ATOM 0 HB ILE A 15 65.248 -2.249 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 15 64.922 -3.574 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 15 63.596 -3.835 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 15 62.843 -1.978 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 15 63.680 -0.408 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 15 62.640 -0.884 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 15 62.742 -3.457 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.217 -2.145 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.563 -1.880 2.584 1.00 0.00 H new ATOM 271 N GLU A 16 65.706 1.498 4.324 1.00 0.00 N ATOM 272 CA GLU A 16 65.923 2.786 5.020 1.00 0.00 C ATOM 273 C GLU A 16 64.605 3.142 5.703 1.00 0.00 C ATOM 274 O GLU A 16 63.549 2.722 5.268 1.00 0.00 O ATOM 275 CB GLU A 16 66.307 3.871 4.003 1.00 0.00 C ATOM 276 CG GLU A 16 67.552 4.616 4.490 1.00 0.00 C ATOM 277 CD GLU A 16 68.788 3.742 4.271 1.00 0.00 C ATOM 278 OE1 GLU A 16 68.744 2.583 4.647 1.00 0.00 O ATOM 279 OE2 GLU A 16 69.759 4.247 3.731 1.00 0.00 O ATOM 0 H GLU A 16 65.691 1.551 3.305 1.00 0.00 H new ATOM 0 HA GLU A 16 66.731 2.712 5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 16 66.499 3.419 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 16 65.481 4.570 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 16 67.659 5.558 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 67.451 4.863 5.547 1.00 0.00 H new ATOM 286 N ASN A 17 64.650 3.887 6.768 1.00 0.00 N ATOM 287 CA ASN A 17 63.385 4.248 7.476 1.00 0.00 C ATOM 288 C ASN A 17 62.478 5.040 6.534 1.00 0.00 C ATOM 289 O ASN A 17 61.270 5.041 6.682 1.00 0.00 O ATOM 290 CB ASN A 17 63.702 5.084 8.718 1.00 0.00 C ATOM 291 CG ASN A 17 64.041 4.156 9.886 1.00 0.00 C ATOM 292 OD1 ASN A 17 63.333 3.203 10.144 1.00 0.00 O ATOM 293 ND2 ASN A 17 65.101 4.397 10.608 1.00 0.00 N ATOM 0 H ASN A 17 65.503 4.263 7.182 1.00 0.00 H new ATOM 0 HA ASN A 17 62.874 3.336 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 17 64.539 5.752 8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 17 62.848 5.712 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 17 65.336 3.785 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 17 65.695 5.197 10.391 1.00 0.00 H new ATOM 300 N ARG A 18 63.049 5.700 5.558 1.00 0.00 N ATOM 301 CA ARG A 18 62.219 6.473 4.597 1.00 0.00 C ATOM 302 C ARG A 18 61.692 5.525 3.518 1.00 0.00 C ATOM 303 O ARG A 18 60.656 5.770 2.929 1.00 0.00 O ATOM 304 CB ARG A 18 63.062 7.574 3.952 1.00 0.00 C ATOM 305 CG ARG A 18 63.636 8.484 5.040 1.00 0.00 C ATOM 306 CD ARG A 18 64.606 9.485 4.410 1.00 0.00 C ATOM 307 NE ARG A 18 65.950 8.856 4.274 1.00 0.00 N ATOM 308 CZ ARG A 18 66.969 9.342 4.929 1.00 0.00 C ATOM 309 NH1 ARG A 18 66.827 9.717 6.171 1.00 0.00 N ATOM 310 NH2 ARG A 18 68.130 9.451 4.344 1.00 0.00 N ATOM 0 H ARG A 18 64.054 5.734 5.389 1.00 0.00 H new ATOM 0 HA ARG A 18 61.382 6.932 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 18 63.870 7.133 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 18 62.452 8.156 3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 18 62.830 9.013 5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 18 64.151 7.888 5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 18 64.239 9.798 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 18 64.673 10.381 5.027 1.00 0.00 H new ATOM 0 HE ARG A 18 66.074 8.045 3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 18 65.920 9.630 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 18 67.623 10.097 6.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 68.242 9.156 3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 18 68.926 9.831 4.857 1.00 0.00 H new ATOM 324 N VAL A 19 62.393 4.444 3.254 1.00 0.00 N ATOM 325 CA VAL A 19 61.914 3.490 2.213 1.00 0.00 C ATOM 326 C VAL A 19 60.635 2.819 2.703 1.00 0.00 C ATOM 327 O VAL A 19 59.691 2.670 1.963 1.00 0.00 O ATOM 328 CB VAL A 19 63.016 2.446 1.870 1.00 0.00 C ATOM 329 CG1 VAL A 19 62.838 1.104 2.610 1.00 0.00 C ATOM 330 CG2 VAL A 19 62.965 2.178 0.368 1.00 0.00 C ATOM 0 H VAL A 19 63.267 4.188 3.713 1.00 0.00 H new ATOM 0 HA VAL A 19 61.694 4.032 1.293 1.00 0.00 H new ATOM 0 HB VAL A 19 63.972 2.864 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 19 63.640 0.422 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.872 1.275 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.877 0.666 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 63.730 1.448 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.983 1.788 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 19 63.146 3.106 -0.174 1.00 0.00 H new ATOM 340 N ARG A 20 60.612 2.393 3.939 1.00 0.00 N ATOM 341 CA ARG A 20 59.389 1.718 4.466 1.00 0.00 C ATOM 342 C ARG A 20 58.209 2.676 4.410 1.00 0.00 C ATOM 343 O ARG A 20 57.159 2.339 3.888 1.00 0.00 O ATOM 344 CB ARG A 20 59.618 1.263 5.909 1.00 0.00 C ATOM 345 CG ARG A 20 60.374 -0.066 5.928 1.00 0.00 C ATOM 346 CD ARG A 20 60.930 -0.320 7.335 1.00 0.00 C ATOM 347 NE ARG A 20 59.865 -0.090 8.355 1.00 0.00 N ATOM 348 CZ ARG A 20 59.270 -1.104 8.919 1.00 0.00 C ATOM 349 NH1 ARG A 20 58.451 -1.846 8.227 1.00 0.00 N ATOM 350 NH2 ARG A 20 59.493 -1.375 10.175 1.00 0.00 N ATOM 0 H ARG A 20 61.382 2.482 4.602 1.00 0.00 H new ATOM 0 HA ARG A 20 59.174 0.845 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.184 2.020 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 20 58.661 1.153 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.709 -0.879 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.187 -0.044 5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.301 -1.342 7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.776 0.341 7.525 1.00 0.00 H new ATOM 0 HE ARG A 20 59.602 0.862 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 20 58.276 -1.633 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 20 57.985 -2.639 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.133 -0.794 10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.027 -2.168 10.616 1.00 0.00 H new ATOM 364 N TRP A 21 58.358 3.865 4.933 1.00 0.00 N ATOM 365 CA TRP A 21 57.215 4.806 4.883 1.00 0.00 C ATOM 366 C TRP A 21 57.122 5.415 3.476 1.00 0.00 C ATOM 367 O TRP A 21 56.147 6.061 3.143 1.00 0.00 O ATOM 368 CB TRP A 21 57.304 5.846 6.018 1.00 0.00 C ATOM 369 CG TRP A 21 56.432 5.342 7.143 1.00 0.00 C ATOM 370 CD1 TRP A 21 55.443 6.034 7.759 1.00 0.00 C ATOM 371 CD2 TRP A 21 56.429 4.011 7.744 1.00 0.00 C ATOM 372 NE1 TRP A 21 54.830 5.203 8.691 1.00 0.00 N ATOM 373 CE2 TRP A 21 55.408 3.945 8.716 1.00 0.00 C ATOM 374 CE3 TRP A 21 57.212 2.865 7.536 1.00 0.00 C ATOM 375 CZ2 TRP A 21 55.173 2.767 9.444 1.00 0.00 C ATOM 376 CZ3 TRP A 21 56.983 1.693 8.255 1.00 0.00 C ATOM 377 CH2 TRP A 21 55.962 1.642 9.205 1.00 0.00 C ATOM 0 H TRP A 21 59.205 4.215 5.382 1.00 0.00 H new ATOM 0 HA TRP A 21 56.279 4.276 5.061 1.00 0.00 H new ATOM 0 HB2 TRP A 21 58.335 5.966 6.352 1.00 0.00 H new ATOM 0 HB3 TRP A 21 56.965 6.823 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 21 55.175 7.061 7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 21 54.050 5.486 9.284 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.007 2.892 6.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 54.387 2.733 10.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 57.597 0.823 8.077 1.00 0.00 H new ATOM 0 HH2 TRP A 21 55.783 0.730 9.756 1.00 0.00 H new ATOM 388 N SER A 22 58.075 5.110 2.608 1.00 0.00 N ATOM 389 CA SER A 22 57.965 5.552 1.198 1.00 0.00 C ATOM 390 C SER A 22 56.943 4.595 0.574 1.00 0.00 C ATOM 391 O SER A 22 56.087 4.988 -0.197 1.00 0.00 O ATOM 392 CB SER A 22 59.316 5.439 0.484 1.00 0.00 C ATOM 393 OG SER A 22 59.105 5.451 -0.922 1.00 0.00 O ATOM 0 H SER A 22 58.915 4.575 2.830 1.00 0.00 H new ATOM 0 HA SER A 22 57.662 6.596 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 22 59.964 6.266 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 22 59.821 4.520 0.780 1.00 0.00 H new ATOM 0 HG SER A 22 59.967 5.380 -1.383 1.00 0.00 H new ATOM 399 N LEU A 23 56.978 3.333 0.991 1.00 0.00 N ATOM 400 CA LEU A 23 55.963 2.338 0.530 1.00 0.00 C ATOM 401 C LEU A 23 54.605 2.906 0.939 1.00 0.00 C ATOM 402 O LEU A 23 53.644 2.890 0.201 1.00 0.00 O ATOM 403 CB LEU A 23 56.139 1.002 1.288 1.00 0.00 C ATOM 404 CG LEU A 23 57.490 0.336 1.010 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.931 -0.414 2.274 1.00 0.00 C ATOM 406 CD2 LEU A 23 57.344 -0.680 -0.128 1.00 0.00 C ATOM 0 H LEU A 23 57.676 2.961 1.635 1.00 0.00 H new ATOM 0 HA LEU A 23 56.059 2.164 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 56.041 1.181 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 55.337 0.320 1.004 1.00 0.00 H new ATOM 0 HG LEU A 23 58.221 1.095 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.892 -0.895 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.026 0.290 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.188 -1.171 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.308 -1.151 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 23 56.618 -1.442 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 23 57.002 -0.171 -1.029 1.00 0.00 H new ATOM 418 N GLU A 24 54.559 3.412 2.145 1.00 0.00 N ATOM 419 CA GLU A 24 53.306 4.007 2.693 1.00 0.00 C ATOM 420 C GLU A 24 52.874 5.210 1.852 1.00 0.00 C ATOM 421 O GLU A 24 51.698 5.486 1.713 1.00 0.00 O ATOM 422 CB GLU A 24 53.578 4.468 4.129 1.00 0.00 C ATOM 423 CG GLU A 24 52.258 4.773 4.848 1.00 0.00 C ATOM 424 CD GLU A 24 52.304 6.184 5.444 1.00 0.00 C ATOM 425 OE1 GLU A 24 52.661 7.100 4.722 1.00 0.00 O ATOM 426 OE2 GLU A 24 51.978 6.323 6.612 1.00 0.00 O ATOM 0 H GLU A 24 55.354 3.437 2.784 1.00 0.00 H new ATOM 0 HA GLU A 24 52.510 3.262 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 24 54.124 3.695 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 24 54.209 5.357 4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 24 51.426 4.691 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 52.086 4.041 5.637 1.00 0.00 H new ATOM 433 N THR A 25 53.814 5.933 1.305 1.00 0.00 N ATOM 434 CA THR A 25 53.465 7.131 0.484 1.00 0.00 C ATOM 435 C THR A 25 52.847 6.694 -0.846 1.00 0.00 C ATOM 436 O THR A 25 52.072 7.418 -1.443 1.00 0.00 O ATOM 437 CB THR A 25 54.734 7.946 0.209 1.00 0.00 C ATOM 438 OG1 THR A 25 55.380 8.243 1.439 1.00 0.00 O ATOM 439 CG2 THR A 25 54.369 9.251 -0.506 1.00 0.00 C ATOM 0 H THR A 25 54.813 5.746 1.391 1.00 0.00 H new ATOM 0 HA THR A 25 52.745 7.740 1.030 1.00 0.00 H new ATOM 0 HB THR A 25 55.404 7.366 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 25 55.722 7.415 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 25 55.275 9.826 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 53.876 9.023 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.696 9.834 0.122 1.00 0.00 H new ATOM 447 N MET A 26 53.194 5.526 -1.321 1.00 0.00 N ATOM 448 CA MET A 26 52.641 5.050 -2.627 1.00 0.00 C ATOM 449 C MET A 26 51.293 4.337 -2.424 1.00 0.00 C ATOM 450 O MET A 26 50.468 4.301 -3.319 1.00 0.00 O ATOM 451 CB MET A 26 53.640 4.073 -3.262 1.00 0.00 C ATOM 452 CG MET A 26 53.808 4.391 -4.754 1.00 0.00 C ATOM 453 SD MET A 26 53.931 2.850 -5.701 1.00 0.00 S ATOM 454 CE MET A 26 55.218 3.385 -6.856 1.00 0.00 C ATOM 0 H MET A 26 53.836 4.880 -0.862 1.00 0.00 H new ATOM 0 HA MET A 26 52.482 5.910 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 26 54.603 4.144 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 26 53.289 3.049 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 26 52.961 4.979 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 26 54.702 4.995 -4.908 1.00 0.00 H new ATOM 0 HE1 MET A 26 55.451 2.572 -7.543 1.00 0.00 H new ATOM 0 HE2 MET A 26 54.864 4.247 -7.421 1.00 0.00 H new ATOM 0 HE3 MET A 26 56.115 3.658 -6.300 1.00 0.00 H new ATOM 464 N PHE A 27 51.075 3.746 -1.276 1.00 0.00 N ATOM 465 CA PHE A 27 49.796 3.005 -1.037 1.00 0.00 C ATOM 466 C PHE A 27 48.727 3.917 -0.426 1.00 0.00 C ATOM 467 O PHE A 27 47.550 3.612 -0.483 1.00 0.00 O ATOM 468 CB PHE A 27 50.062 1.836 -0.084 1.00 0.00 C ATOM 469 CG PHE A 27 50.740 0.714 -0.834 1.00 0.00 C ATOM 470 CD1 PHE A 27 51.981 0.927 -1.447 1.00 0.00 C ATOM 471 CD2 PHE A 27 50.132 -0.546 -0.907 1.00 0.00 C ATOM 472 CE1 PHE A 27 52.614 -0.115 -2.130 1.00 0.00 C ATOM 473 CE2 PHE A 27 50.766 -1.589 -1.592 1.00 0.00 C ATOM 474 CZ PHE A 27 52.007 -1.374 -2.203 1.00 0.00 C ATOM 0 H PHE A 27 51.728 3.744 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 27 49.428 2.641 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 27 50.690 2.165 0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 27 49.124 1.484 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 27 52.450 1.898 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 27 49.175 -0.712 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.571 0.051 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 27 50.297 -2.560 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 27 52.496 -2.180 -2.731 1.00 0.00 H new ATOM 484 N LEU A 28 49.114 5.015 0.172 1.00 0.00 N ATOM 485 CA LEU A 28 48.099 5.916 0.798 1.00 0.00 C ATOM 486 C LEU A 28 47.605 6.979 -0.195 1.00 0.00 C ATOM 487 O LEU A 28 46.809 7.830 0.159 1.00 0.00 O ATOM 488 CB LEU A 28 48.704 6.593 2.031 1.00 0.00 C ATOM 489 CG LEU A 28 48.931 5.553 3.140 1.00 0.00 C ATOM 490 CD1 LEU A 28 49.514 6.248 4.369 1.00 0.00 C ATOM 491 CD2 LEU A 28 47.604 4.884 3.524 1.00 0.00 C ATOM 0 H LEU A 28 50.082 5.325 0.254 1.00 0.00 H new ATOM 0 HA LEU A 28 47.242 5.311 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 28 49.648 7.070 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 28 48.039 7.379 2.388 1.00 0.00 H new ATOM 0 HG LEU A 28 49.621 4.792 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 28 49.677 5.515 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 50.463 6.716 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 28 48.819 7.011 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 28 47.781 4.150 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 46.906 5.640 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 28 47.182 4.386 2.651 1.00 0.00 H new ATOM 503 N LYS A 29 48.037 6.929 -1.434 1.00 0.00 N ATOM 504 CA LYS A 29 47.551 7.928 -2.434 1.00 0.00 C ATOM 505 C LYS A 29 46.443 7.266 -3.253 1.00 0.00 C ATOM 506 O LYS A 29 45.443 7.872 -3.586 1.00 0.00 O ATOM 507 CB LYS A 29 48.708 8.373 -3.349 1.00 0.00 C ATOM 508 CG LYS A 29 49.217 7.199 -4.200 1.00 0.00 C ATOM 509 CD LYS A 29 50.596 7.543 -4.769 1.00 0.00 C ATOM 510 CE LYS A 29 50.460 8.677 -5.787 1.00 0.00 C ATOM 511 NZ LYS A 29 51.813 9.095 -6.253 1.00 0.00 N ATOM 0 H LYS A 29 48.701 6.243 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 29 47.167 8.816 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 29 48.372 9.180 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 29 49.524 8.769 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 49.277 6.295 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 29 48.518 6.993 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 29 51.269 7.841 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 51.035 6.665 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 29 49.858 8.349 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 29 49.942 9.524 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 51.719 9.866 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.373 9.425 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 52.292 8.286 -6.699 1.00 0.00 H new ATOM 525 N CYS A 30 46.623 6.010 -3.550 1.00 0.00 N ATOM 526 CA CYS A 30 45.609 5.248 -4.316 1.00 0.00 C ATOM 527 C CYS A 30 45.539 3.830 -3.715 1.00 0.00 C ATOM 528 O CYS A 30 46.561 3.184 -3.599 1.00 0.00 O ATOM 529 CB CYS A 30 46.033 5.166 -5.785 1.00 0.00 C ATOM 530 SG CYS A 30 45.311 6.551 -6.701 1.00 0.00 S ATOM 0 H CYS A 30 47.449 5.472 -3.287 1.00 0.00 H new ATOM 0 HA CYS A 30 44.636 5.736 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 30 47.120 5.192 -5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 30 45.705 4.220 -6.217 1.00 0.00 H new ATOM 0 HG CYS A 30 45.113 7.550 -5.893 1.00 0.00 H new ATOM 536 N PRO A 31 44.359 3.367 -3.332 1.00 0.00 N ATOM 537 CA PRO A 31 44.205 2.030 -2.737 1.00 0.00 C ATOM 538 C PRO A 31 44.010 0.983 -3.834 1.00 0.00 C ATOM 539 O PRO A 31 43.291 0.019 -3.642 1.00 0.00 O ATOM 540 CB PRO A 31 42.912 2.145 -1.931 1.00 0.00 C ATOM 541 CG PRO A 31 42.101 3.289 -2.583 1.00 0.00 C ATOM 542 CD PRO A 31 43.086 4.107 -3.437 1.00 0.00 C ATOM 0 HA PRO A 31 45.070 1.732 -2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 31 42.354 1.209 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 31 43.123 2.364 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 31 41.296 2.889 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 31 41.638 3.916 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 31 42.751 4.179 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 31 43.186 5.126 -3.063 1.00 0.00 H new ATOM 550 N LYS A 32 44.614 1.166 -4.986 1.00 0.00 N ATOM 551 CA LYS A 32 44.421 0.182 -6.080 1.00 0.00 C ATOM 552 C LYS A 32 45.769 -0.407 -6.575 1.00 0.00 C ATOM 553 O LYS A 32 45.981 -0.485 -7.771 1.00 0.00 O ATOM 554 CB LYS A 32 43.708 0.880 -7.248 1.00 0.00 C ATOM 555 CG LYS A 32 44.447 2.173 -7.611 1.00 0.00 C ATOM 556 CD LYS A 32 43.814 2.791 -8.860 1.00 0.00 C ATOM 557 CE LYS A 32 42.692 3.745 -8.445 1.00 0.00 C ATOM 558 NZ LYS A 32 42.096 4.370 -9.659 1.00 0.00 N ATOM 0 H LYS A 32 45.227 1.951 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 32 43.822 -0.644 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 32 43.671 0.217 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 42.677 1.104 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 32 44.399 2.877 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.501 1.963 -7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 32 44.568 3.328 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 32 43.419 2.007 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 32 41.927 3.203 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 32 43.083 4.516 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 41.333 5.018 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.829 4.900 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.709 3.628 -10.277 1.00 0.00 H new ATOM 572 N PRO A 33 46.649 -0.835 -5.675 1.00 0.00 N ATOM 573 CA PRO A 33 47.933 -1.428 -6.092 1.00 0.00 C ATOM 574 C PRO A 33 47.707 -2.868 -6.560 1.00 0.00 C ATOM 575 O PRO A 33 46.856 -3.569 -6.046 1.00 0.00 O ATOM 576 CB PRO A 33 48.786 -1.405 -4.825 1.00 0.00 C ATOM 577 CG PRO A 33 47.798 -1.348 -3.641 1.00 0.00 C ATOM 578 CD PRO A 33 46.478 -0.778 -4.199 1.00 0.00 C ATOM 0 HA PRO A 33 48.403 -0.893 -6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 33 49.416 -2.292 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 33 49.451 -0.541 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 33 47.643 -2.340 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 33 48.186 -0.716 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 33 45.621 -1.368 -3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 33 46.309 0.243 -3.857 1.00 0.00 H new ATOM 586 N SER A 34 48.464 -3.308 -7.528 1.00 0.00 N ATOM 587 CA SER A 34 48.308 -4.697 -8.037 1.00 0.00 C ATOM 588 C SER A 34 49.232 -5.627 -7.268 1.00 0.00 C ATOM 589 O SER A 34 50.309 -5.235 -6.859 1.00 0.00 O ATOM 590 CB SER A 34 48.674 -4.734 -9.521 1.00 0.00 C ATOM 591 OG SER A 34 47.909 -3.758 -10.217 1.00 0.00 O ATOM 0 H SER A 34 49.189 -2.759 -7.990 1.00 0.00 H new ATOM 0 HA SER A 34 47.275 -5.020 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 34 49.739 -4.538 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 34 48.480 -5.725 -9.931 1.00 0.00 H new ATOM 0 HG SER A 34 48.142 -3.777 -11.169 1.00 0.00 H new ATOM 597 N LEU A 35 48.844 -6.871 -7.096 1.00 0.00 N ATOM 598 CA LEU A 35 49.747 -7.829 -6.394 1.00 0.00 C ATOM 599 C LEU A 35 51.046 -7.938 -7.219 1.00 0.00 C ATOM 600 O LEU A 35 52.097 -8.280 -6.709 1.00 0.00 O ATOM 601 CB LEU A 35 49.052 -9.203 -6.221 1.00 0.00 C ATOM 602 CG LEU A 35 49.045 -10.012 -7.528 1.00 0.00 C ATOM 603 CD1 LEU A 35 48.613 -11.449 -7.232 1.00 0.00 C ATOM 604 CD2 LEU A 35 48.066 -9.386 -8.522 1.00 0.00 C ATOM 0 H LEU A 35 47.953 -7.256 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 35 49.985 -7.475 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 49.563 -9.773 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 35 48.027 -9.051 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 35 50.047 -10.008 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 35 48.607 -12.025 -8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 35 49.311 -11.901 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 35 47.612 -11.446 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 35 48.066 -9.964 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 35 47.063 -9.386 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 35 48.370 -8.361 -8.735 1.00 0.00 H new ATOM 616 N GLN A 36 50.978 -7.596 -8.494 1.00 0.00 N ATOM 617 CA GLN A 36 52.201 -7.623 -9.340 1.00 0.00 C ATOM 618 C GLN A 36 53.094 -6.500 -8.835 1.00 0.00 C ATOM 619 O GLN A 36 54.284 -6.667 -8.657 1.00 0.00 O ATOM 620 CB GLN A 36 51.829 -7.384 -10.806 1.00 0.00 C ATOM 621 CG GLN A 36 53.065 -7.580 -11.688 1.00 0.00 C ATOM 622 CD GLN A 36 53.518 -9.041 -11.620 1.00 0.00 C ATOM 623 OE1 GLN A 36 52.815 -9.928 -12.062 1.00 0.00 O ATOM 624 NE2 GLN A 36 54.669 -9.329 -11.079 1.00 0.00 N ATOM 0 H GLN A 36 50.126 -7.302 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 36 52.706 -8.587 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 36 51.041 -8.073 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 36 51.436 -6.375 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 36 52.836 -7.307 -12.718 1.00 0.00 H new ATOM 0 HG3 GLN A 36 53.869 -6.924 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 36 55.259 -8.584 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 36 54.979 -10.299 -11.027 1.00 0.00 H new ATOM 633 N GLN A 37 52.500 -5.365 -8.554 1.00 0.00 N ATOM 634 CA GLN A 37 53.282 -4.230 -8.000 1.00 0.00 C ATOM 635 C GLN A 37 53.796 -4.631 -6.615 1.00 0.00 C ATOM 636 O GLN A 37 54.782 -4.103 -6.153 1.00 0.00 O ATOM 637 CB GLN A 37 52.404 -2.982 -7.871 1.00 0.00 C ATOM 638 CG GLN A 37 53.277 -1.781 -7.470 1.00 0.00 C ATOM 639 CD GLN A 37 53.502 -0.876 -8.684 1.00 0.00 C ATOM 640 OE1 GLN A 37 54.057 -1.300 -9.678 1.00 0.00 O ATOM 641 NE2 GLN A 37 53.093 0.363 -8.643 1.00 0.00 N ATOM 0 H GLN A 37 51.505 -5.181 -8.687 1.00 0.00 H new ATOM 0 HA GLN A 37 54.112 -4.001 -8.669 1.00 0.00 H new ATOM 0 HB2 GLN A 37 51.900 -2.780 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 37 51.627 -3.146 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 37 52.794 -1.219 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 37 54.234 -2.129 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 52.627 0.719 -7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 37 53.239 0.975 -9.446 1.00 0.00 H new ATOM 650 N ILE A 38 53.146 -5.577 -5.956 1.00 0.00 N ATOM 651 CA ILE A 38 53.641 -6.015 -4.618 1.00 0.00 C ATOM 652 C ILE A 38 54.959 -6.756 -4.848 1.00 0.00 C ATOM 653 O ILE A 38 55.883 -6.656 -4.065 1.00 0.00 O ATOM 654 CB ILE A 38 52.596 -6.911 -3.903 1.00 0.00 C ATOM 655 CG1 ILE A 38 51.464 -6.022 -3.354 1.00 0.00 C ATOM 656 CG2 ILE A 38 53.241 -7.673 -2.723 1.00 0.00 C ATOM 657 CD1 ILE A 38 52.035 -4.968 -2.389 1.00 0.00 C ATOM 0 H ILE A 38 52.307 -6.052 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 38 53.801 -5.158 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 38 52.208 -7.633 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 38 50.947 -5.529 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 38 50.727 -6.637 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 38 52.489 -8.295 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 38 54.048 -8.304 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 38 53.641 -6.958 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 38 51.225 -4.346 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 52.531 -5.467 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 38 52.754 -4.343 -2.918 1.00 0.00 H new ATOM 669 N THR A 39 55.058 -7.468 -5.943 1.00 0.00 N ATOM 670 CA THR A 39 56.328 -8.183 -6.265 1.00 0.00 C ATOM 671 C THR A 39 57.409 -7.123 -6.484 1.00 0.00 C ATOM 672 O THR A 39 58.489 -7.183 -5.923 1.00 0.00 O ATOM 673 CB THR A 39 56.144 -9.013 -7.541 1.00 0.00 C ATOM 674 OG1 THR A 39 55.027 -9.875 -7.384 1.00 0.00 O ATOM 675 CG2 THR A 39 57.401 -9.846 -7.797 1.00 0.00 C ATOM 0 H THR A 39 54.311 -7.584 -6.628 1.00 0.00 H new ATOM 0 HA THR A 39 56.610 -8.856 -5.455 1.00 0.00 H new ATOM 0 HB THR A 39 55.975 -8.347 -8.387 1.00 0.00 H new ATOM 0 HG1 THR A 39 54.906 -10.406 -8.199 1.00 0.00 H new ATOM 0 HG21 THR A 39 57.268 -10.435 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 39 58.258 -9.184 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 39 57.573 -10.514 -6.953 1.00 0.00 H new ATOM 683 N HIS A 40 57.093 -6.126 -7.270 1.00 0.00 N ATOM 684 CA HIS A 40 58.058 -5.014 -7.512 1.00 0.00 C ATOM 685 C HIS A 40 58.227 -4.202 -6.224 1.00 0.00 C ATOM 686 O HIS A 40 59.179 -3.468 -6.080 1.00 0.00 O ATOM 687 CB HIS A 40 57.531 -4.111 -8.629 1.00 0.00 C ATOM 688 CG HIS A 40 58.092 -4.570 -9.946 1.00 0.00 C ATOM 689 ND1 HIS A 40 58.183 -5.912 -10.282 1.00 0.00 N ATOM 690 CD2 HIS A 40 58.600 -3.880 -11.018 1.00 0.00 C ATOM 691 CE1 HIS A 40 58.727 -5.986 -11.510 1.00 0.00 C ATOM 692 NE2 HIS A 40 59.001 -4.776 -12.005 1.00 0.00 N ATOM 0 H HIS A 40 56.202 -6.035 -7.757 1.00 0.00 H new ATOM 0 HA HIS A 40 59.022 -5.425 -7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 40 56.442 -4.142 -8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 40 57.816 -3.076 -8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 40 58.677 -2.805 -11.086 1.00 0.00 H new ATOM 0 HE1 HIS A 40 58.919 -6.912 -12.032 1.00 0.00 H new ATOM 0 HE2 HIS A 40 59.415 -4.556 -12.911 1.00 0.00 H new ATOM 700 N ILE A 41 57.329 -4.358 -5.275 1.00 0.00 N ATOM 701 CA ILE A 41 57.456 -3.631 -3.985 1.00 0.00 C ATOM 702 C ILE A 41 58.640 -4.268 -3.261 1.00 0.00 C ATOM 703 O ILE A 41 59.479 -3.600 -2.711 1.00 0.00 O ATOM 704 CB ILE A 41 56.120 -3.782 -3.194 1.00 0.00 C ATOM 705 CG1 ILE A 41 55.459 -2.407 -3.009 1.00 0.00 C ATOM 706 CG2 ILE A 41 56.301 -4.420 -1.807 1.00 0.00 C ATOM 707 CD1 ILE A 41 54.521 -2.130 -4.186 1.00 0.00 C ATOM 0 H ILE A 41 56.512 -4.964 -5.348 1.00 0.00 H new ATOM 0 HA ILE A 41 57.633 -2.562 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 41 55.493 -4.447 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 41 54.902 -2.382 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.221 -1.630 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 41 55.333 -4.495 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 41 56.730 -5.416 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 41 56.969 -3.802 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 41 54.052 -1.155 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 41 55.091 -2.137 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 41 53.751 -2.901 -4.227 1.00 0.00 H new ATOM 719 N ALA A 42 58.700 -5.575 -3.295 1.00 0.00 N ATOM 720 CA ALA A 42 59.811 -6.315 -2.637 1.00 0.00 C ATOM 721 C ALA A 42 61.130 -5.882 -3.253 1.00 0.00 C ATOM 722 O ALA A 42 62.026 -5.442 -2.561 1.00 0.00 O ATOM 723 CB ALA A 42 59.597 -7.815 -2.832 1.00 0.00 C ATOM 0 H ALA A 42 58.012 -6.168 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 42 59.831 -6.097 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 42 60.408 -8.364 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 42 58.647 -8.108 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 59.584 -8.045 -3.897 1.00 0.00 H new ATOM 729 N ASN A 43 61.241 -5.956 -4.552 1.00 0.00 N ATOM 730 CA ASN A 43 62.490 -5.487 -5.218 1.00 0.00 C ATOM 731 C ASN A 43 62.655 -3.981 -4.934 1.00 0.00 C ATOM 732 O ASN A 43 63.734 -3.430 -5.034 1.00 0.00 O ATOM 733 CB ASN A 43 62.386 -5.714 -6.728 1.00 0.00 C ATOM 734 CG ASN A 43 63.785 -5.695 -7.346 1.00 0.00 C ATOM 735 OD1 ASN A 43 64.637 -6.478 -6.976 1.00 0.00 O ATOM 736 ND2 ASN A 43 64.061 -4.825 -8.280 1.00 0.00 N ATOM 0 H ASN A 43 60.523 -6.320 -5.179 1.00 0.00 H new ATOM 0 HA ASN A 43 63.348 -6.040 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 43 61.901 -6.669 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 43 61.767 -4.940 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 43 64.991 -4.803 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 43 63.346 -4.167 -8.591 1.00 0.00 H new ATOM 743 N GLN A 44 61.573 -3.319 -4.582 1.00 0.00 N ATOM 744 CA GLN A 44 61.617 -1.859 -4.289 1.00 0.00 C ATOM 745 C GLN A 44 62.310 -1.599 -2.944 1.00 0.00 C ATOM 746 O GLN A 44 62.975 -0.592 -2.778 1.00 0.00 O ATOM 747 CB GLN A 44 60.174 -1.329 -4.260 1.00 0.00 C ATOM 748 CG GLN A 44 59.912 -0.355 -5.421 1.00 0.00 C ATOM 749 CD GLN A 44 60.220 -1.023 -6.768 1.00 0.00 C ATOM 750 OE1 GLN A 44 61.366 -1.238 -7.110 1.00 0.00 O ATOM 751 NE2 GLN A 44 59.235 -1.355 -7.556 1.00 0.00 N ATOM 0 H GLN A 44 60.650 -3.742 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 44 62.188 -1.344 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 44 59.476 -2.164 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 44 59.988 -0.825 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 44 58.872 -0.028 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 44 60.529 0.536 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 44 58.272 -1.176 -7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 44 59.428 -1.794 -8.456 1.00 0.00 H new ATOM 760 N LEU A 45 62.169 -2.486 -1.985 1.00 0.00 N ATOM 761 CA LEU A 45 62.838 -2.259 -0.662 1.00 0.00 C ATOM 762 C LEU A 45 63.657 -3.500 -0.238 1.00 0.00 C ATOM 763 O LEU A 45 63.991 -3.670 0.915 1.00 0.00 O ATOM 764 CB LEU A 45 61.781 -1.859 0.395 1.00 0.00 C ATOM 765 CG LEU A 45 60.983 -3.062 0.908 1.00 0.00 C ATOM 766 CD1 LEU A 45 60.274 -2.693 2.221 1.00 0.00 C ATOM 767 CD2 LEU A 45 59.946 -3.447 -0.136 1.00 0.00 C ATOM 0 H LEU A 45 61.627 -3.347 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 45 63.547 -1.436 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 62.277 -1.371 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 61.096 -1.130 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 45 61.657 -3.899 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 45 59.708 -3.551 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 45 61.016 -2.407 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 45 59.595 -1.858 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 59.372 -4.303 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 59.274 -2.606 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 45 60.447 -3.708 -1.068 1.00 0.00 H new ATOM 779 N GLY A 46 64.016 -4.337 -1.179 1.00 0.00 N ATOM 780 CA GLY A 46 64.853 -5.547 -0.876 1.00 0.00 C ATOM 781 C GLY A 46 64.365 -6.328 0.359 1.00 0.00 C ATOM 782 O GLY A 46 65.153 -6.976 1.023 1.00 0.00 O ATOM 0 H GLY A 46 63.762 -4.234 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 64.849 -6.209 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 46 65.886 -5.236 -0.717 1.00 0.00 H new ATOM 786 N LEU A 47 63.091 -6.298 0.668 1.00 0.00 N ATOM 787 CA LEU A 47 62.596 -7.076 1.861 1.00 0.00 C ATOM 788 C LEU A 47 61.974 -8.400 1.397 1.00 0.00 C ATOM 789 O LEU A 47 61.887 -8.684 0.218 1.00 0.00 O ATOM 790 CB LEU A 47 61.572 -6.244 2.696 1.00 0.00 C ATOM 791 CG LEU A 47 60.104 -6.528 2.313 1.00 0.00 C ATOM 792 CD1 LEU A 47 59.175 -5.597 3.098 1.00 0.00 C ATOM 793 CD2 LEU A 47 59.896 -6.315 0.819 1.00 0.00 C ATOM 0 H LEU A 47 62.377 -5.778 0.158 1.00 0.00 H new ATOM 0 HA LEU A 47 63.446 -7.292 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 47 61.714 -6.462 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 47 61.778 -5.182 2.559 1.00 0.00 H new ATOM 0 HG LEU A 47 59.873 -7.565 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 47 58.140 -5.801 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 47 59.308 -5.766 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 47 59.415 -4.560 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 58.856 -6.519 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 47 60.137 -5.284 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 47 60.546 -6.990 0.261 1.00 0.00 H new ATOM 805 N GLU A 48 61.519 -9.188 2.334 1.00 0.00 N ATOM 806 CA GLU A 48 60.870 -10.479 1.991 1.00 0.00 C ATOM 807 C GLU A 48 59.370 -10.233 1.826 1.00 0.00 C ATOM 808 O GLU A 48 58.783 -9.436 2.529 1.00 0.00 O ATOM 809 CB GLU A 48 61.108 -11.485 3.119 1.00 0.00 C ATOM 810 CG GLU A 48 60.832 -12.900 2.610 1.00 0.00 C ATOM 811 CD GLU A 48 61.571 -13.912 3.488 1.00 0.00 C ATOM 812 OE1 GLU A 48 61.650 -13.683 4.684 1.00 0.00 O ATOM 813 OE2 GLU A 48 62.047 -14.899 2.950 1.00 0.00 O ATOM 0 H GLU A 48 61.572 -8.987 3.333 1.00 0.00 H new ATOM 0 HA GLU A 48 61.287 -10.879 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 48 62.135 -11.410 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 48 60.459 -11.259 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.761 -13.102 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 48 61.158 -12.995 1.574 1.00 0.00 H new ATOM 820 N LYS A 49 58.746 -10.910 0.904 1.00 0.00 N ATOM 821 CA LYS A 49 57.278 -10.719 0.682 1.00 0.00 C ATOM 822 C LYS A 49 56.499 -10.967 1.984 1.00 0.00 C ATOM 823 O LYS A 49 55.372 -10.530 2.129 1.00 0.00 O ATOM 824 CB LYS A 49 56.799 -11.697 -0.391 1.00 0.00 C ATOM 825 CG LYS A 49 55.619 -11.090 -1.156 1.00 0.00 C ATOM 826 CD LYS A 49 54.298 -11.591 -0.556 1.00 0.00 C ATOM 827 CE LYS A 49 53.329 -11.967 -1.679 1.00 0.00 C ATOM 828 NZ LYS A 49 51.978 -12.222 -1.104 1.00 0.00 N ATOM 0 H LYS A 49 59.189 -11.593 0.289 1.00 0.00 H new ATOM 0 HA LYS A 49 57.101 -9.693 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 49 57.613 -11.923 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 49 56.500 -12.639 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 49 55.662 -10.002 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 49 55.677 -11.363 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.482 -12.455 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 49 53.857 -10.818 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 49 53.278 -11.164 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 49 53.687 -12.854 -2.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.319 -12.478 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.034 -13.002 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.637 -11.364 -0.625 1.00 0.00 H new ATOM 842 N ASP A 50 57.083 -11.670 2.924 1.00 0.00 N ATOM 843 CA ASP A 50 56.372 -11.950 4.205 1.00 0.00 C ATOM 844 C ASP A 50 56.340 -10.697 5.087 1.00 0.00 C ATOM 845 O ASP A 50 55.350 -10.438 5.750 1.00 0.00 O ATOM 846 CB ASP A 50 57.092 -13.084 4.948 1.00 0.00 C ATOM 847 CG ASP A 50 56.339 -14.400 4.736 1.00 0.00 C ATOM 848 OD1 ASP A 50 55.186 -14.470 5.128 1.00 0.00 O ATOM 849 OD2 ASP A 50 56.930 -15.315 4.187 1.00 0.00 O ATOM 0 H ASP A 50 58.023 -12.061 2.857 1.00 0.00 H new ATOM 0 HA ASP A 50 55.347 -12.245 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 50 58.116 -13.177 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 50 57.151 -12.855 6.012 1.00 0.00 H new ATOM 854 N VAL A 51 57.395 -9.911 5.107 1.00 0.00 N ATOM 855 CA VAL A 51 57.376 -8.687 5.959 1.00 0.00 C ATOM 856 C VAL A 51 56.610 -7.582 5.224 1.00 0.00 C ATOM 857 O VAL A 51 56.076 -6.674 5.836 1.00 0.00 O ATOM 858 CB VAL A 51 58.814 -8.238 6.269 1.00 0.00 C ATOM 859 CG1 VAL A 51 59.552 -7.887 4.972 1.00 0.00 C ATOM 860 CG2 VAL A 51 58.777 -7.013 7.193 1.00 0.00 C ATOM 0 H VAL A 51 58.253 -10.065 4.577 1.00 0.00 H new ATOM 0 HA VAL A 51 56.878 -8.901 6.904 1.00 0.00 H new ATOM 0 HB VAL A 51 59.343 -9.053 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 51 60.569 -7.571 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 59.584 -8.762 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 51 59.028 -7.078 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 59.795 -6.693 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 51 58.241 -6.202 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 51 58.269 -7.273 8.122 1.00 0.00 H new ATOM 870 N VAL A 52 56.548 -7.657 3.916 1.00 0.00 N ATOM 871 CA VAL A 52 55.818 -6.624 3.144 1.00 0.00 C ATOM 872 C VAL A 52 54.308 -6.834 3.327 1.00 0.00 C ATOM 873 O VAL A 52 53.546 -5.892 3.348 1.00 0.00 O ATOM 874 CB VAL A 52 56.244 -6.703 1.651 1.00 0.00 C ATOM 875 CG1 VAL A 52 55.297 -7.578 0.811 1.00 0.00 C ATOM 876 CG2 VAL A 52 56.278 -5.287 1.074 1.00 0.00 C ATOM 0 H VAL A 52 56.975 -8.394 3.356 1.00 0.00 H new ATOM 0 HA VAL A 52 56.063 -5.625 3.506 1.00 0.00 H new ATOM 0 HB VAL A 52 57.230 -7.167 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 52 55.641 -7.598 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 55.289 -8.592 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 52 54.289 -7.164 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 56.576 -5.328 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 55.288 -4.838 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.995 -4.684 1.631 1.00 0.00 H new ATOM 886 N ARG A 53 53.883 -8.069 3.446 1.00 0.00 N ATOM 887 CA ARG A 53 52.426 -8.350 3.612 1.00 0.00 C ATOM 888 C ARG A 53 51.983 -8.021 5.040 1.00 0.00 C ATOM 889 O ARG A 53 50.957 -7.403 5.247 1.00 0.00 O ATOM 890 CB ARG A 53 52.157 -9.830 3.327 1.00 0.00 C ATOM 891 CG ARG A 53 50.647 -10.061 3.152 1.00 0.00 C ATOM 892 CD ARG A 53 50.139 -11.023 4.229 1.00 0.00 C ATOM 893 NE ARG A 53 50.428 -12.424 3.815 1.00 0.00 N ATOM 894 CZ ARG A 53 49.505 -13.136 3.228 1.00 0.00 C ATOM 895 NH1 ARG A 53 48.379 -13.379 3.841 1.00 0.00 N ATOM 896 NH2 ARG A 53 49.707 -13.603 2.027 1.00 0.00 N ATOM 0 H ARG A 53 54.484 -8.893 3.435 1.00 0.00 H new ATOM 0 HA ARG A 53 51.864 -7.730 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 52.688 -10.139 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 53 52.535 -10.442 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 53 50.115 -9.112 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 53 50.445 -10.470 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 53 50.621 -10.807 5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 53 49.067 -10.889 4.376 1.00 0.00 H new ATOM 0 HE ARG A 53 51.348 -12.828 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 53 48.220 -13.012 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 53 47.658 -13.935 3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 53 50.586 -13.412 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 53 48.986 -14.159 1.568 1.00 0.00 H new ATOM 910 N VAL A 54 52.742 -8.435 6.025 1.00 0.00 N ATOM 911 CA VAL A 54 52.360 -8.153 7.444 1.00 0.00 C ATOM 912 C VAL A 54 52.253 -6.645 7.664 1.00 0.00 C ATOM 913 O VAL A 54 51.293 -6.169 8.243 1.00 0.00 O ATOM 914 CB VAL A 54 53.415 -8.738 8.390 1.00 0.00 C ATOM 915 CG1 VAL A 54 52.917 -8.639 9.835 1.00 0.00 C ATOM 916 CG2 VAL A 54 53.679 -10.212 8.034 1.00 0.00 C ATOM 0 H VAL A 54 53.611 -8.957 5.907 1.00 0.00 H new ATOM 0 HA VAL A 54 51.394 -8.614 7.651 1.00 0.00 H new ATOM 0 HB VAL A 54 54.342 -8.175 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 53.667 -9.055 10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 54 52.742 -7.593 10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 54 51.987 -9.198 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 54 54.430 -10.621 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 54 52.754 -10.781 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 54 54.040 -10.279 7.008 1.00 0.00 H new ATOM 926 N TRP A 55 53.217 -5.887 7.204 1.00 0.00 N ATOM 927 CA TRP A 55 53.139 -4.412 7.391 1.00 0.00 C ATOM 928 C TRP A 55 51.990 -3.867 6.539 1.00 0.00 C ATOM 929 O TRP A 55 51.324 -2.934 6.937 1.00 0.00 O ATOM 930 CB TRP A 55 54.462 -3.742 6.987 1.00 0.00 C ATOM 931 CG TRP A 55 54.324 -2.247 7.082 1.00 0.00 C ATOM 932 CD1 TRP A 55 54.227 -1.533 8.235 1.00 0.00 C ATOM 933 CD2 TRP A 55 54.241 -1.274 5.998 1.00 0.00 C ATOM 934 NE1 TRP A 55 54.088 -0.201 7.923 1.00 0.00 N ATOM 935 CE2 TRP A 55 54.106 0.015 6.567 1.00 0.00 C ATOM 936 CE3 TRP A 55 54.275 -1.375 4.591 1.00 0.00 C ATOM 937 CZ2 TRP A 55 54.012 1.155 5.780 1.00 0.00 C ATOM 938 CZ3 TRP A 55 54.175 -0.227 3.803 1.00 0.00 C ATOM 939 CH2 TRP A 55 54.047 1.034 4.394 1.00 0.00 C ATOM 0 H TRP A 55 54.045 -6.224 6.713 1.00 0.00 H new ATOM 0 HA TRP A 55 52.958 -4.191 8.443 1.00 0.00 H new ATOM 0 HB2 TRP A 55 55.267 -4.084 7.637 1.00 0.00 H new ATOM 0 HB3 TRP A 55 54.730 -4.028 5.970 1.00 0.00 H new ATOM 0 HD1 TRP A 55 54.255 -1.945 9.233 1.00 0.00 H new ATOM 0 HE1 TRP A 55 53.984 0.539 8.617 1.00 0.00 H new ATOM 0 HE3 TRP A 55 54.379 -2.343 4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 53.913 2.127 6.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 54.197 -0.314 2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 55 53.975 1.915 3.774 1.00 0.00 H new ATOM 950 N PHE A 56 51.755 -4.430 5.372 1.00 0.00 N ATOM 951 CA PHE A 56 50.642 -3.910 4.521 1.00 0.00 C ATOM 952 C PHE A 56 49.300 -4.470 4.984 1.00 0.00 C ATOM 953 O PHE A 56 48.266 -4.058 4.496 1.00 0.00 O ATOM 954 CB PHE A 56 50.871 -4.232 3.038 1.00 0.00 C ATOM 955 CG PHE A 56 51.420 -3.000 2.353 1.00 0.00 C ATOM 956 CD1 PHE A 56 50.725 -1.784 2.444 1.00 0.00 C ATOM 957 CD2 PHE A 56 52.633 -3.061 1.659 1.00 0.00 C ATOM 958 CE1 PHE A 56 51.243 -0.636 1.848 1.00 0.00 C ATOM 959 CE2 PHE A 56 53.146 -1.909 1.053 1.00 0.00 C ATOM 960 CZ PHE A 56 52.450 -0.698 1.152 1.00 0.00 C ATOM 0 H PHE A 56 52.278 -5.213 4.981 1.00 0.00 H new ATOM 0 HA PHE A 56 50.625 -2.826 4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 56 51.568 -5.064 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 56 49.936 -4.540 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 56 49.787 -1.738 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 56 53.172 -3.994 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 56 50.711 0.300 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 56 54.078 -1.954 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 56 52.849 0.191 0.688 1.00 0.00 H new ATOM 970 N CYS A 57 49.291 -5.356 5.950 1.00 0.00 N ATOM 971 CA CYS A 57 47.991 -5.858 6.467 1.00 0.00 C ATOM 972 C CYS A 57 47.470 -4.770 7.398 1.00 0.00 C ATOM 973 O CYS A 57 46.299 -4.442 7.411 1.00 0.00 O ATOM 974 CB CYS A 57 48.190 -7.163 7.241 1.00 0.00 C ATOM 975 SG CYS A 57 46.662 -8.133 7.196 1.00 0.00 S ATOM 0 H CYS A 57 50.121 -5.747 6.396 1.00 0.00 H new ATOM 0 HA CYS A 57 47.293 -6.068 5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 49.009 -7.735 6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 57 48.466 -6.947 8.273 1.00 0.00 H new ATOM 0 HG CYS A 57 46.833 -9.242 7.852 1.00 0.00 H new ATOM 981 N ASN A 58 48.366 -4.179 8.147 1.00 0.00 N ATOM 982 CA ASN A 58 47.982 -3.068 9.056 1.00 0.00 C ATOM 983 C ASN A 58 48.023 -1.744 8.266 1.00 0.00 C ATOM 984 O ASN A 58 47.420 -0.766 8.666 1.00 0.00 O ATOM 985 CB ASN A 58 48.967 -3.008 10.233 1.00 0.00 C ATOM 986 CG ASN A 58 48.250 -3.379 11.536 1.00 0.00 C ATOM 987 OD1 ASN A 58 48.356 -2.677 12.521 1.00 0.00 O ATOM 988 ND2 ASN A 58 47.520 -4.461 11.582 1.00 0.00 N ATOM 0 H ASN A 58 49.356 -4.425 8.164 1.00 0.00 H new ATOM 0 HA ASN A 58 46.977 -3.231 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 58 49.798 -3.692 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 58 49.390 -2.007 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 58 47.039 -4.716 12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 58 47.430 -5.051 10.755 1.00 0.00 H new ATOM 995 N ARG A 59 48.715 -1.706 7.137 1.00 0.00 N ATOM 996 CA ARG A 59 48.762 -0.444 6.330 1.00 0.00 C ATOM 997 C ARG A 59 47.556 -0.404 5.384 1.00 0.00 C ATOM 998 O ARG A 59 47.159 0.652 4.928 1.00 0.00 O ATOM 999 CB ARG A 59 50.078 -0.338 5.509 1.00 0.00 C ATOM 1000 CG ARG A 59 50.855 0.932 5.898 1.00 0.00 C ATOM 1001 CD ARG A 59 49.953 2.175 5.807 1.00 0.00 C ATOM 1002 NE ARG A 59 49.545 2.606 7.178 1.00 0.00 N ATOM 1003 CZ ARG A 59 50.285 3.444 7.858 1.00 0.00 C ATOM 1004 NH1 ARG A 59 51.587 3.358 7.815 1.00 0.00 N ATOM 1005 NH2 ARG A 59 49.718 4.366 8.588 1.00 0.00 N ATOM 0 H ARG A 59 49.241 -2.489 6.750 1.00 0.00 H new ATOM 0 HA ARG A 59 48.730 0.402 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 59 50.696 -1.218 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 59 49.848 -0.319 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 59 51.241 0.831 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 51.716 1.053 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 59 50.483 2.984 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 59 49.070 1.952 5.208 1.00 0.00 H new ATOM 0 HE ARG A 59 48.683 2.244 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 59 52.032 2.635 7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 59 52.159 4.014 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 59 48.701 4.432 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 59 50.292 5.021 9.119 1.00 0.00 H new ATOM 1019 N ARG A 60 46.955 -1.540 5.100 1.00 0.00 N ATOM 1020 CA ARG A 60 45.762 -1.552 4.204 1.00 0.00 C ATOM 1021 C ARG A 60 44.502 -1.369 5.061 1.00 0.00 C ATOM 1022 O ARG A 60 43.503 -0.838 4.614 1.00 0.00 O ATOM 1023 CB ARG A 60 45.695 -2.884 3.431 1.00 0.00 C ATOM 1024 CG ARG A 60 45.489 -4.061 4.395 1.00 0.00 C ATOM 1025 CD ARG A 60 45.763 -5.378 3.665 1.00 0.00 C ATOM 1026 NE ARG A 60 44.888 -5.473 2.464 1.00 0.00 N ATOM 1027 CZ ARG A 60 44.088 -6.494 2.320 1.00 0.00 C ATOM 1028 NH1 ARG A 60 43.179 -6.745 3.223 1.00 0.00 N ATOM 1029 NH2 ARG A 60 44.198 -7.263 1.272 1.00 0.00 N ATOM 0 H ARG A 60 47.242 -2.453 5.451 1.00 0.00 H new ATOM 0 HA ARG A 60 45.833 -0.740 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 60 44.878 -2.851 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 60 46.615 -3.028 2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 60 46.156 -3.963 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 60 44.470 -4.053 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 60 46.811 -5.431 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 60 45.577 -6.221 4.331 1.00 0.00 H new ATOM 0 HE ARG A 60 44.914 -4.741 1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 60 43.094 -6.143 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 60 42.554 -7.543 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 60 44.908 -7.066 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 60 43.574 -8.062 1.158 1.00 0.00 H new ATOM 1043 N GLN A 61 44.554 -1.809 6.294 1.00 0.00 N ATOM 1044 CA GLN A 61 43.383 -1.674 7.203 1.00 0.00 C ATOM 1045 C GLN A 61 43.878 -1.225 8.583 1.00 0.00 C ATOM 1046 O GLN A 61 43.803 -1.959 9.551 1.00 0.00 O ATOM 1047 CB GLN A 61 42.674 -3.034 7.306 1.00 0.00 C ATOM 1048 CG GLN A 61 41.470 -2.939 8.255 1.00 0.00 C ATOM 1049 CD GLN A 61 40.198 -3.393 7.532 1.00 0.00 C ATOM 1050 OE1 GLN A 61 39.169 -2.754 7.630 1.00 0.00 O ATOM 1051 NE2 GLN A 61 40.226 -4.477 6.806 1.00 0.00 N ATOM 0 H GLN A 61 45.369 -2.260 6.710 1.00 0.00 H new ATOM 0 HA GLN A 61 42.681 -0.935 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 61 42.342 -3.354 6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 61 43.372 -3.789 7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 61 41.640 -3.560 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 61 41.353 -1.914 8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 61 41.090 -5.013 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 61 39.384 -4.788 6.321 1.00 0.00 H new ATOM 1060 N LYS A 62 44.388 -0.022 8.672 1.00 0.00 N ATOM 1061 CA LYS A 62 44.897 0.490 9.980 1.00 0.00 C ATOM 1062 C LYS A 62 43.733 0.976 10.854 1.00 0.00 C ATOM 1063 O LYS A 62 43.883 1.151 12.049 1.00 0.00 O ATOM 1064 CB LYS A 62 45.858 1.654 9.731 1.00 0.00 C ATOM 1065 CG LYS A 62 45.161 2.729 8.894 1.00 0.00 C ATOM 1066 CD LYS A 62 45.696 4.108 9.287 1.00 0.00 C ATOM 1067 CE LYS A 62 45.286 5.140 8.234 1.00 0.00 C ATOM 1068 NZ LYS A 62 46.190 5.034 7.055 1.00 0.00 N ATOM 0 H LYS A 62 44.474 0.629 7.892 1.00 0.00 H new ATOM 0 HA LYS A 62 45.415 -0.318 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 62 46.187 2.076 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 62 46.749 1.298 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 62 45.335 2.549 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 62 44.083 2.686 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 62 45.305 4.395 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 62 46.782 4.076 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 62 44.253 4.973 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 62 45.336 6.144 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 46.024 5.838 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 47.180 5.044 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 45.998 4.146 6.549 1.00 0.00 H new ATOM 1082 N GLY A 63 42.578 1.203 10.273 1.00 0.00 N ATOM 1083 CA GLY A 63 41.412 1.684 11.073 1.00 0.00 C ATOM 1084 C GLY A 63 40.868 0.567 11.978 1.00 0.00 C ATOM 1085 O GLY A 63 39.995 0.803 12.792 1.00 0.00 O ATOM 0 H GLY A 63 42.395 1.075 9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 63 41.711 2.537 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 63 40.625 2.030 10.403 1.00 0.00 H new ATOM 1089 N LYS A 64 41.362 -0.645 11.844 1.00 0.00 N ATOM 1090 CA LYS A 64 40.853 -1.761 12.698 1.00 0.00 C ATOM 1091 C LYS A 64 41.777 -1.960 13.906 1.00 0.00 C ATOM 1092 O LYS A 64 41.945 -3.065 14.388 1.00 0.00 O ATOM 1093 CB LYS A 64 40.803 -3.050 11.862 1.00 0.00 C ATOM 1094 CG LYS A 64 39.382 -3.633 11.871 1.00 0.00 C ATOM 1095 CD LYS A 64 39.438 -5.140 12.149 1.00 0.00 C ATOM 1096 CE LYS A 64 40.179 -5.849 11.013 1.00 0.00 C ATOM 1097 NZ LYS A 64 40.608 -7.202 11.470 1.00 0.00 N ATOM 0 H LYS A 64 42.093 -0.905 11.182 1.00 0.00 H new ATOM 0 HA LYS A 64 39.853 -1.518 13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 64 41.111 -2.840 10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 64 41.506 -3.780 12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.780 -3.136 12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.898 -3.449 10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 64 39.943 -5.326 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.428 -5.540 12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 64 39.532 -5.936 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 41.047 -5.264 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 41.112 -7.685 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 41.240 -7.107 12.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 39.772 -7.759 11.740 1.00 0.00 H new ATOM 1111 N ARG A 65 42.368 -0.902 14.401 1.00 0.00 N ATOM 1112 CA ARG A 65 43.272 -1.031 15.583 1.00 0.00 C ATOM 1113 C ARG A 65 42.969 0.091 16.579 1.00 0.00 C ATOM 1114 O ARG A 65 42.855 -0.139 17.769 1.00 0.00 O ATOM 1115 CB ARG A 65 44.732 -0.937 15.131 1.00 0.00 C ATOM 1116 CG ARG A 65 45.241 -2.332 14.759 1.00 0.00 C ATOM 1117 CD ARG A 65 45.505 -3.137 16.033 1.00 0.00 C ATOM 1118 NE ARG A 65 46.034 -4.483 15.670 1.00 0.00 N ATOM 1119 CZ ARG A 65 47.039 -4.989 16.332 1.00 0.00 C ATOM 1120 NH1 ARG A 65 48.137 -4.299 16.477 1.00 0.00 N ATOM 1121 NH2 ARG A 65 46.945 -6.183 16.850 1.00 0.00 N ATOM 0 H ARG A 65 42.263 0.045 14.037 1.00 0.00 H new ATOM 0 HA ARG A 65 43.107 -1.997 16.061 1.00 0.00 H new ATOM 0 HB2 ARG A 65 44.817 -0.267 14.275 1.00 0.00 H new ATOM 0 HB3 ARG A 65 45.344 -0.515 15.928 1.00 0.00 H new ATOM 0 HG2 ARG A 65 44.506 -2.845 14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 65 46.155 -2.252 14.171 1.00 0.00 H new ATOM 0 HD2 ARG A 65 46.220 -2.612 16.666 1.00 0.00 H new ATOM 0 HD3 ARG A 65 44.585 -3.239 16.609 1.00 0.00 H new ATOM 0 HE ARG A 65 45.611 -5.008 14.905 1.00 0.00 H new ATOM 0 HH11 ARG A 65 48.210 -3.365 16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 65 48.923 -4.694 16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 65 46.086 -6.721 16.738 1.00 0.00 H new ATOM 0 HH22 ARG A 65 47.731 -6.578 17.367 1.00 0.00 H new ATOM 1135 N SER A 66 42.831 1.301 16.099 1.00 0.00 N ATOM 1136 CA SER A 66 42.527 2.444 17.009 1.00 0.00 C ATOM 1137 C SER A 66 41.025 2.738 16.964 1.00 0.00 C ATOM 1138 O SER A 66 40.589 3.712 16.378 1.00 0.00 O ATOM 1139 CB SER A 66 43.309 3.678 16.555 1.00 0.00 C ATOM 1140 OG SER A 66 44.667 3.546 16.955 1.00 0.00 O ATOM 0 H SER A 66 42.916 1.546 15.113 1.00 0.00 H new ATOM 0 HA SER A 66 42.817 2.190 18.029 1.00 0.00 H new ATOM 0 HB2 SER A 66 43.245 3.785 15.472 1.00 0.00 H new ATOM 0 HB3 SER A 66 42.875 4.578 16.990 1.00 0.00 H new ATOM 0 HG SER A 66 45.172 4.334 16.664 1.00 0.00 H new ATOM 1146 N SER A 67 40.231 1.897 17.578 1.00 0.00 N ATOM 1147 CA SER A 67 38.755 2.114 17.574 1.00 0.00 C ATOM 1148 C SER A 67 38.251 2.239 19.014 1.00 0.00 C ATOM 1149 O SER A 67 39.020 1.955 19.917 1.00 0.00 O ATOM 1150 CB SER A 67 38.070 0.928 16.896 1.00 0.00 C ATOM 1151 OG SER A 67 37.896 1.215 15.514 1.00 0.00 O ATOM 1152 OXT SER A 67 37.104 2.619 19.188 1.00 0.00 O ATOM 0 H SER A 67 40.544 1.068 18.083 1.00 0.00 H new ATOM 0 HA SER A 67 38.524 3.029 17.029 1.00 0.00 H new ATOM 0 HB2 SER A 67 38.671 0.027 17.020 1.00 0.00 H new ATOM 0 HB3 SER A 67 37.105 0.734 17.364 1.00 0.00 H new ATOM 0 HG SER A 67 37.458 0.456 15.075 1.00 0.00 H new TER 1158 SER A 67