USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 381 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= -0.0498 (180deg=-0.331) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2.29 K(o=-2.3,f=-9.5!) USER MOD Single : A 32 GLN : amide:sc= 0.0181 X(o=0.018,f=-0.041) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc=-0.00541 (180deg=-0.121) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc=-0.00428 (180deg=-0.128) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0.00374 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.811 -19.115 -17.513 1.00 0.00 N ATOM 2 CA MET A 1 9.853 -20.134 -17.467 1.00 0.00 C ATOM 3 C MET A 1 11.139 -19.570 -16.871 1.00 0.00 C ATOM 4 O MET A 1 11.577 -19.993 -15.802 1.00 0.00 O ATOM 5 CB MET A 1 10.124 -20.681 -18.870 1.00 0.00 C ATOM 6 CG MET A 1 10.937 -21.965 -18.874 1.00 0.00 C ATOM 7 SD MET A 1 10.631 -22.976 -20.336 1.00 0.00 S ATOM 8 CE MET A 1 11.880 -24.243 -20.139 1.00 0.00 C ATOM 0 H1 MET A 1 7.946 -19.522 -17.922 1.00 0.00 H new ATOM 0 H2 MET A 1 8.613 -18.777 -16.550 1.00 0.00 H new ATOM 0 H3 MET A 1 9.130 -18.318 -18.100 1.00 0.00 H new ATOM 0 HA MET A 1 9.504 -20.946 -16.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.173 -20.861 -19.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.652 -19.924 -19.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.998 -21.719 -18.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.700 -22.543 -17.981 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.818 -24.947 -20.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.868 -23.782 -20.127 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.716 -24.773 -19.201 1.00 0.00 H new ATOM 18 N GLY A 2 11.740 -18.612 -17.571 1.00 0.00 N ATOM 19 CA GLY A 2 12.970 -18.007 -17.095 1.00 0.00 C ATOM 20 C GLY A 2 12.746 -16.632 -16.496 1.00 0.00 C ATOM 21 O GLY A 2 13.628 -15.774 -16.546 1.00 0.00 O ATOM 0 H GLY A 2 11.397 -18.245 -18.459 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.425 -18.656 -16.347 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.677 -17.929 -17.921 1.00 0.00 H new ATOM 25 N VAL A 3 11.562 -16.421 -15.930 1.00 0.00 N ATOM 26 CA VAL A 3 11.225 -15.141 -15.319 1.00 0.00 C ATOM 27 C VAL A 3 12.199 -14.792 -14.200 1.00 0.00 C ATOM 28 O VAL A 3 12.487 -13.620 -13.957 1.00 0.00 O ATOM 29 CB VAL A 3 9.792 -15.149 -14.753 1.00 0.00 C ATOM 30 CG1 VAL A 3 8.774 -15.244 -15.879 1.00 0.00 C ATOM 31 CG2 VAL A 3 9.616 -16.294 -13.767 1.00 0.00 C ATOM 0 H VAL A 3 10.820 -17.120 -15.882 1.00 0.00 H new ATOM 0 HA VAL A 3 11.294 -14.388 -16.104 1.00 0.00 H new ATOM 0 HB VAL A 3 9.624 -14.212 -14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.768 -15.248 -15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.886 -14.388 -16.544 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.937 -16.164 -16.441 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.598 -16.285 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.802 -17.241 -14.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.321 -16.177 -12.944 1.00 0.00 H new ATOM 41 N SER A 4 12.705 -15.817 -13.521 1.00 0.00 N ATOM 42 CA SER A 4 13.645 -15.618 -12.425 1.00 0.00 C ATOM 43 C SER A 4 13.033 -14.743 -11.336 1.00 0.00 C ATOM 44 O SER A 4 13.605 -13.723 -10.949 1.00 0.00 O ATOM 45 CB SER A 4 14.937 -14.982 -12.942 1.00 0.00 C ATOM 46 OG SER A 4 15.749 -15.938 -13.600 1.00 0.00 O ATOM 0 H SER A 4 12.479 -16.793 -13.711 1.00 0.00 H new ATOM 0 HA SER A 4 13.876 -16.593 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.697 -14.170 -13.629 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.488 -14.543 -12.110 1.00 0.00 H new ATOM 0 HG SER A 4 16.567 -15.506 -13.922 1.00 0.00 H new ATOM 52 N VAL A 5 11.866 -15.148 -10.846 1.00 0.00 N ATOM 53 CA VAL A 5 11.175 -14.402 -9.801 1.00 0.00 C ATOM 54 C VAL A 5 11.413 -15.026 -8.431 1.00 0.00 C ATOM 55 O VAL A 5 10.564 -14.943 -7.544 1.00 0.00 O ATOM 56 CB VAL A 5 9.659 -14.336 -10.067 1.00 0.00 C ATOM 57 CG1 VAL A 5 9.382 -13.703 -11.422 1.00 0.00 C ATOM 58 CG2 VAL A 5 9.043 -15.724 -9.980 1.00 0.00 C ATOM 0 H VAL A 5 11.379 -15.989 -11.156 1.00 0.00 H new ATOM 0 HA VAL A 5 11.582 -13.391 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 5 9.199 -13.711 -9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.306 -13.665 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.789 -12.692 -11.441 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.853 -14.298 -12.205 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.972 -15.659 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.505 -16.374 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.210 -16.135 -8.984 1.00 0.00 H new ATOM 68 N MET A 6 12.574 -15.652 -8.265 1.00 0.00 N ATOM 69 CA MET A 6 12.925 -16.290 -7.002 1.00 0.00 C ATOM 70 C MET A 6 13.066 -15.254 -5.891 1.00 0.00 C ATOM 71 O MET A 6 12.884 -15.565 -4.714 1.00 0.00 O ATOM 72 CB MET A 6 14.227 -17.079 -7.148 1.00 0.00 C ATOM 73 CG MET A 6 14.089 -18.326 -8.006 1.00 0.00 C ATOM 74 SD MET A 6 15.667 -18.891 -8.670 1.00 0.00 S ATOM 75 CE MET A 6 15.114 -20.050 -9.919 1.00 0.00 C ATOM 0 H MET A 6 13.287 -15.731 -8.990 1.00 0.00 H new ATOM 0 HA MET A 6 12.122 -16.977 -6.735 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.988 -16.431 -7.583 1.00 0.00 H new ATOM 0 HB3 MET A 6 14.581 -17.366 -6.158 1.00 0.00 H new ATOM 0 HG2 MET A 6 13.643 -19.124 -7.412 1.00 0.00 H new ATOM 0 HG3 MET A 6 13.405 -18.122 -8.830 1.00 0.00 H new ATOM 0 HE1 MET A 6 15.979 -20.485 -10.420 1.00 0.00 H new ATOM 0 HE2 MET A 6 14.531 -20.842 -9.448 1.00 0.00 H new ATOM 0 HE3 MET A 6 14.495 -19.529 -10.650 1.00 0.00 H new ATOM 85 N GLU A 7 13.392 -14.023 -6.273 1.00 0.00 N ATOM 86 CA GLU A 7 13.558 -12.943 -5.308 1.00 0.00 C ATOM 87 C GLU A 7 12.352 -12.009 -5.323 1.00 0.00 C ATOM 88 O GLU A 7 12.048 -11.354 -4.327 1.00 0.00 O ATOM 89 CB GLU A 7 14.833 -12.153 -5.608 1.00 0.00 C ATOM 90 CG GLU A 7 14.988 -10.902 -4.760 1.00 0.00 C ATOM 91 CD GLU A 7 16.434 -10.470 -4.615 1.00 0.00 C ATOM 92 OE1 GLU A 7 17.293 -11.346 -4.380 1.00 0.00 O ATOM 93 OE2 GLU A 7 16.707 -9.258 -4.736 1.00 0.00 O ATOM 0 H GLU A 7 13.546 -13.749 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 7 13.639 -13.387 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.696 -12.799 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.836 -11.871 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.414 -10.091 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.566 -11.083 -3.771 1.00 0.00 H new ATOM 100 N ALA A 8 11.669 -11.953 -6.462 1.00 0.00 N ATOM 101 CA ALA A 8 10.496 -11.100 -6.608 1.00 0.00 C ATOM 102 C ALA A 8 9.364 -11.563 -5.696 1.00 0.00 C ATOM 103 O ALA A 8 8.831 -10.781 -4.908 1.00 0.00 O ATOM 104 CB ALA A 8 10.034 -11.081 -8.057 1.00 0.00 C ATOM 0 H ALA A 8 11.908 -12.488 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 8 10.774 -10.088 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.157 -10.440 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.834 -10.696 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.779 -12.093 -8.371 1.00 0.00 H new ATOM 110 N ILE A 9 9.003 -12.836 -5.810 1.00 0.00 N ATOM 111 CA ILE A 9 7.934 -13.402 -4.995 1.00 0.00 C ATOM 112 C ILE A 9 8.416 -13.684 -3.576 1.00 0.00 C ATOM 113 O ILE A 9 7.636 -13.643 -2.624 1.00 0.00 O ATOM 114 CB ILE A 9 7.388 -14.705 -5.609 1.00 0.00 C ATOM 115 CG1 ILE A 9 6.871 -14.449 -7.026 1.00 0.00 C ATOM 116 CG2 ILE A 9 6.286 -15.281 -4.733 1.00 0.00 C ATOM 117 CD1 ILE A 9 5.707 -13.484 -7.079 1.00 0.00 C ATOM 0 H ILE A 9 9.434 -13.495 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 9 7.134 -12.662 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 9 8.199 -15.432 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.685 -14.058 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.567 -15.397 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.910 -16.201 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.684 -15.495 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.473 -14.560 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.393 -13.350 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.877 -13.883 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.012 -12.523 -6.665 1.00 0.00 H new ATOM 129 N LYS A 10 9.706 -13.971 -3.441 1.00 0.00 N ATOM 130 CA LYS A 10 10.295 -14.257 -2.138 1.00 0.00 C ATOM 131 C LYS A 10 10.925 -13.004 -1.538 1.00 0.00 C ATOM 132 O LYS A 10 12.078 -12.681 -1.825 1.00 0.00 O ATOM 133 CB LYS A 10 11.347 -15.361 -2.262 1.00 0.00 C ATOM 134 CG LYS A 10 11.544 -16.160 -0.986 1.00 0.00 C ATOM 135 CD LYS A 10 11.983 -17.585 -1.282 1.00 0.00 C ATOM 136 CE LYS A 10 10.788 -18.506 -1.476 1.00 0.00 C ATOM 137 NZ LYS A 10 10.040 -18.721 -0.207 1.00 0.00 N ATOM 0 H LYS A 10 10.364 -14.012 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 10 9.499 -14.595 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.057 -16.039 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.298 -14.914 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.291 -15.671 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.614 -16.175 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.603 -17.597 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 10 12.600 -17.955 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.119 -18.080 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.129 -19.466 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.491 -19.602 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.711 -18.789 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.394 -17.922 -0.045 1.00 0.00 H new ATOM 151 N GLU A 11 10.163 -12.304 -0.704 1.00 0.00 N ATOM 152 CA GLU A 11 10.649 -11.087 -0.065 1.00 0.00 C ATOM 153 C GLU A 11 10.908 -11.320 1.421 1.00 0.00 C ATOM 154 O GLU A 11 10.046 -11.060 2.261 1.00 0.00 O ATOM 155 CB GLU A 11 9.640 -9.952 -0.246 1.00 0.00 C ATOM 156 CG GLU A 11 8.209 -10.352 0.073 1.00 0.00 C ATOM 157 CD GLU A 11 7.471 -10.891 -1.137 1.00 0.00 C ATOM 158 OE1 GLU A 11 8.109 -11.050 -2.198 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.255 -11.153 -1.022 1.00 0.00 O ATOM 0 H GLU A 11 9.207 -12.559 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 11 11.589 -10.807 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.926 -9.117 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.688 -9.596 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.213 -11.108 0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.673 -9.488 0.466 1.00 0.00 H new ATOM 166 N VAL A 12 12.101 -11.813 1.738 1.00 0.00 N ATOM 167 CA VAL A 12 12.475 -12.081 3.121 1.00 0.00 C ATOM 168 C VAL A 12 12.437 -10.806 3.957 1.00 0.00 C ATOM 169 O VAL A 12 12.449 -9.698 3.421 1.00 0.00 O ATOM 170 CB VAL A 12 13.882 -12.700 3.213 1.00 0.00 C ATOM 171 CG1 VAL A 12 13.930 -14.028 2.473 1.00 0.00 C ATOM 172 CG2 VAL A 12 14.924 -11.737 2.664 1.00 0.00 C ATOM 0 H VAL A 12 12.825 -12.035 1.055 1.00 0.00 H new ATOM 0 HA VAL A 12 11.748 -12.792 3.513 1.00 0.00 H new ATOM 0 HB VAL A 12 14.110 -12.887 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.932 -14.451 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.211 -14.717 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.682 -13.869 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.913 -12.190 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.702 -11.517 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.905 -10.813 3.242 1.00 0.00 H new ATOM 182 N LYS A 13 12.392 -10.971 5.275 1.00 0.00 N ATOM 183 CA LYS A 13 12.354 -9.834 6.188 1.00 0.00 C ATOM 184 C LYS A 13 13.587 -9.816 7.085 1.00 0.00 C ATOM 185 O LYS A 13 13.551 -9.287 8.197 1.00 0.00 O ATOM 186 CB LYS A 13 11.087 -9.884 7.044 1.00 0.00 C ATOM 187 CG LYS A 13 9.830 -9.476 6.296 1.00 0.00 C ATOM 188 CD LYS A 13 8.576 -9.819 7.082 1.00 0.00 C ATOM 189 CE LYS A 13 8.141 -11.256 6.837 1.00 0.00 C ATOM 190 NZ LYS A 13 7.358 -11.391 5.578 1.00 0.00 N ATOM 0 H LYS A 13 12.381 -11.881 5.735 1.00 0.00 H new ATOM 0 HA LYS A 13 12.347 -8.921 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.958 -10.896 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.215 -9.229 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.855 -8.404 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.802 -9.978 5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.760 -9.670 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.771 -9.141 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.020 -11.898 6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.540 -11.602 7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.080 -12.385 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.506 -10.798 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.940 -11.085 4.772 1.00 0.00 H new ATOM 204 N LEU A 14 14.678 -10.396 6.596 1.00 0.00 N ATOM 205 CA LEU A 14 15.924 -10.444 7.354 1.00 0.00 C ATOM 206 C LEU A 14 16.497 -9.045 7.551 1.00 0.00 C ATOM 207 O LEU A 14 16.428 -8.483 8.644 1.00 0.00 O ATOM 208 CB LEU A 14 16.945 -11.330 6.637 1.00 0.00 C ATOM 209 CG LEU A 14 16.899 -12.819 6.979 1.00 0.00 C ATOM 210 CD1 LEU A 14 15.768 -13.505 6.227 1.00 0.00 C ATOM 211 CD2 LEU A 14 18.231 -13.481 6.661 1.00 0.00 C ATOM 0 H LEU A 14 14.725 -10.839 5.679 1.00 0.00 H new ATOM 0 HA LEU A 14 15.708 -10.868 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.800 -11.220 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.943 -10.956 6.864 1.00 0.00 H new ATOM 0 HG LEU A 14 16.712 -12.921 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.751 -14.564 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.818 -13.049 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.924 -13.394 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.179 -14.541 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.449 -13.369 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.021 -13.008 7.245 1.00 0.00 H new ATOM 223 N ALA A 15 17.059 -8.486 6.484 1.00 0.00 N ATOM 224 CA ALA A 15 17.640 -7.150 6.539 1.00 0.00 C ATOM 225 C ALA A 15 18.669 -7.044 7.659 1.00 0.00 C ATOM 226 O ALA A 15 18.905 -5.962 8.197 1.00 0.00 O ATOM 227 CB ALA A 15 16.548 -6.107 6.722 1.00 0.00 C ATOM 0 H ALA A 15 17.124 -8.937 5.572 1.00 0.00 H new ATOM 0 HA ALA A 15 18.150 -6.964 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.996 -5.114 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.852 -6.158 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.012 -6.300 7.651 1.00 0.00 H new ATOM 233 N GLU A 16 19.278 -8.174 8.006 1.00 0.00 N ATOM 234 CA GLU A 16 20.281 -8.206 9.064 1.00 0.00 C ATOM 235 C GLU A 16 21.605 -7.624 8.577 1.00 0.00 C ATOM 236 O GLU A 16 22.373 -7.065 9.359 1.00 0.00 O ATOM 237 CB GLU A 16 20.492 -9.641 9.553 1.00 0.00 C ATOM 238 CG GLU A 16 19.305 -10.203 10.318 1.00 0.00 C ATOM 239 CD GLU A 16 19.720 -11.181 11.401 1.00 0.00 C ATOM 240 OE1 GLU A 16 20.051 -10.725 12.515 1.00 0.00 O ATOM 241 OE2 GLU A 16 19.713 -12.400 11.134 1.00 0.00 O ATOM 0 H GLU A 16 19.095 -9.078 7.570 1.00 0.00 H new ATOM 0 HA GLU A 16 19.919 -7.596 9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.698 -10.282 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.374 -9.672 10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.746 -9.383 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.632 -10.702 9.621 1.00 0.00 H new ATOM 248 N GLU A 17 21.863 -7.760 7.280 1.00 0.00 N ATOM 249 CA GLU A 17 23.094 -7.249 6.689 1.00 0.00 C ATOM 250 C GLU A 17 23.183 -5.733 6.844 1.00 0.00 C ATOM 251 O GLU A 17 24.275 -5.171 6.921 1.00 0.00 O ATOM 252 CB GLU A 17 23.171 -7.627 5.209 1.00 0.00 C ATOM 253 CG GLU A 17 24.578 -7.569 4.638 1.00 0.00 C ATOM 254 CD GLU A 17 24.650 -8.074 3.210 1.00 0.00 C ATOM 255 OE1 GLU A 17 23.629 -7.981 2.496 1.00 0.00 O ATOM 256 OE2 GLU A 17 25.726 -8.562 2.806 1.00 0.00 O ATOM 0 H GLU A 17 21.236 -8.219 6.619 1.00 0.00 H new ATOM 0 HA GLU A 17 23.935 -7.701 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.777 -8.635 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.528 -6.957 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.939 -6.541 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.245 -8.163 5.263 1.00 0.00 H new ATOM 263 N GLN A 18 22.027 -5.080 6.887 1.00 0.00 N ATOM 264 CA GLN A 18 21.974 -3.630 7.031 1.00 0.00 C ATOM 265 C GLN A 18 22.675 -3.184 8.310 1.00 0.00 C ATOM 266 O GLN A 18 23.335 -2.146 8.338 1.00 0.00 O ATOM 267 CB GLN A 18 20.522 -3.149 7.036 1.00 0.00 C ATOM 268 CG GLN A 18 19.873 -3.158 5.662 1.00 0.00 C ATOM 269 CD GLN A 18 20.332 -2.003 4.793 1.00 0.00 C ATOM 270 OE1 GLN A 18 20.865 -1.011 5.290 1.00 0.00 O ATOM 271 NE2 GLN A 18 20.126 -2.127 3.487 1.00 0.00 N ATOM 0 H GLN A 18 21.115 -5.531 6.824 1.00 0.00 H new ATOM 0 HA GLN A 18 22.493 -3.187 6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.941 -3.781 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.485 -2.137 7.440 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.103 -4.098 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 18.790 -3.114 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.680 -2.967 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.413 -1.382 2.852 1.00 0.00 H new ATOM 280 N ALA A 19 22.525 -3.975 9.367 1.00 0.00 N ATOM 281 CA ALA A 19 23.145 -3.663 10.649 1.00 0.00 C ATOM 282 C ALA A 19 24.664 -3.607 10.526 1.00 0.00 C ATOM 283 O ALA A 19 25.319 -2.785 11.166 1.00 0.00 O ATOM 284 CB ALA A 19 22.735 -4.687 11.697 1.00 0.00 C ATOM 0 H ALA A 19 21.979 -4.837 9.361 1.00 0.00 H new ATOM 0 HA ALA A 19 22.796 -2.679 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 19 23.205 -4.441 12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.651 -4.674 11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 19 23.054 -5.680 11.380 1.00 0.00 H new ATOM 290 N VAL A 20 25.218 -4.488 9.699 1.00 0.00 N ATOM 291 CA VAL A 20 26.660 -4.539 9.491 1.00 0.00 C ATOM 292 C VAL A 20 27.206 -3.174 9.089 1.00 0.00 C ATOM 293 O VAL A 20 28.315 -2.799 9.470 1.00 0.00 O ATOM 294 CB VAL A 20 27.035 -5.569 8.409 1.00 0.00 C ATOM 295 CG1 VAL A 20 28.541 -5.591 8.192 1.00 0.00 C ATOM 296 CG2 VAL A 20 26.523 -6.950 8.788 1.00 0.00 C ATOM 0 H VAL A 20 24.690 -5.176 9.162 1.00 0.00 H new ATOM 0 HA VAL A 20 27.106 -4.840 10.439 1.00 0.00 H new ATOM 0 HB VAL A 20 26.561 -5.275 7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.787 -6.324 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 20 28.877 -4.605 7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.039 -5.860 9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.797 -7.665 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 20 26.967 -7.255 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.438 -6.921 8.888 1.00 0.00 H new ATOM 306 N LYS A 21 26.420 -2.433 8.316 1.00 0.00 N ATOM 307 CA LYS A 21 26.822 -1.107 7.862 1.00 0.00 C ATOM 308 C LYS A 21 26.743 -0.095 9.001 1.00 0.00 C ATOM 309 O LYS A 21 27.544 0.837 9.070 1.00 0.00 O ATOM 310 CB LYS A 21 25.936 -0.653 6.700 1.00 0.00 C ATOM 311 CG LYS A 21 26.636 0.283 5.730 1.00 0.00 C ATOM 312 CD LYS A 21 27.660 -0.455 4.884 1.00 0.00 C ATOM 313 CE LYS A 21 26.996 -1.225 3.752 1.00 0.00 C ATOM 314 NZ LYS A 21 27.881 -2.296 3.216 1.00 0.00 N ATOM 0 H LYS A 21 25.500 -2.729 7.990 1.00 0.00 H new ATOM 0 HA LYS A 21 27.856 -1.165 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 21 25.586 -1.531 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 21 25.054 -0.154 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 21 25.898 0.754 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 21 27.129 1.082 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 21 28.374 0.258 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 21 28.224 -1.144 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 26.066 -1.667 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 21 26.733 -0.536 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.393 -2.797 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 28.758 -1.872 2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 28.112 -2.968 3.975 1.00 0.00 H new ATOM 328 N GLU A 22 25.775 -0.286 9.891 1.00 0.00 N ATOM 329 CA GLU A 22 25.594 0.611 11.026 1.00 0.00 C ATOM 330 C GLU A 22 26.687 0.396 12.069 1.00 0.00 C ATOM 331 O GLU A 22 27.368 1.339 12.472 1.00 0.00 O ATOM 332 CB GLU A 22 24.218 0.394 11.661 1.00 0.00 C ATOM 333 CG GLU A 22 23.645 1.642 12.312 1.00 0.00 C ATOM 334 CD GLU A 22 22.142 1.564 12.499 1.00 0.00 C ATOM 335 OE1 GLU A 22 21.457 1.056 11.587 1.00 0.00 O ATOM 336 OE2 GLU A 22 21.652 2.011 13.557 1.00 0.00 O ATOM 0 H GLU A 22 25.104 -1.053 9.848 1.00 0.00 H new ATOM 0 HA GLU A 22 25.661 1.636 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 23.525 0.043 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.293 -0.395 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.121 1.793 13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.887 2.511 11.699 1.00 0.00 H new ATOM 343 N ILE A 23 26.848 -0.850 12.500 1.00 0.00 N ATOM 344 CA ILE A 23 27.859 -1.189 13.494 1.00 0.00 C ATOM 345 C ILE A 23 29.258 -0.842 12.997 1.00 0.00 C ATOM 346 O ILE A 23 30.133 -0.477 13.781 1.00 0.00 O ATOM 347 CB ILE A 23 27.812 -2.685 13.857 1.00 0.00 C ATOM 348 CG1 ILE A 23 28.109 -3.541 12.625 1.00 0.00 C ATOM 349 CG2 ILE A 23 26.455 -3.045 14.444 1.00 0.00 C ATOM 350 CD1 ILE A 23 29.568 -3.918 12.488 1.00 0.00 C ATOM 0 H ILE A 23 26.292 -1.642 12.177 1.00 0.00 H new ATOM 0 HA ILE A 23 27.636 -0.600 14.384 1.00 0.00 H new ATOM 0 HB ILE A 23 28.576 -2.886 14.608 1.00 0.00 H new ATOM 0 HG12 ILE A 23 27.510 -4.450 12.672 1.00 0.00 H new ATOM 0 HG13 ILE A 23 27.797 -2.999 11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.437 -4.105 14.696 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.280 -2.456 15.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.675 -2.832 13.713 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.705 -4.524 11.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.172 -3.014 12.409 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.880 -4.488 13.363 1.00 0.00 H new ATOM 362 N GLU A 24 29.460 -0.957 11.688 1.00 0.00 N ATOM 363 CA GLU A 24 30.753 -0.655 11.086 1.00 0.00 C ATOM 364 C GLU A 24 31.030 0.846 11.117 1.00 0.00 C ATOM 365 O GLU A 24 32.132 1.277 11.453 1.00 0.00 O ATOM 366 CB GLU A 24 30.801 -1.164 9.644 1.00 0.00 C ATOM 367 CG GLU A 24 32.041 -0.722 8.884 1.00 0.00 C ATOM 368 CD GLU A 24 32.175 -1.408 7.538 1.00 0.00 C ATOM 369 OE1 GLU A 24 31.494 -0.978 6.583 1.00 0.00 O ATOM 370 OE2 GLU A 24 32.960 -2.374 7.440 1.00 0.00 O ATOM 0 H GLU A 24 28.745 -1.257 11.025 1.00 0.00 H new ATOM 0 HA GLU A 24 31.523 -1.162 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.758 -2.253 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.916 -0.813 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 32.006 0.357 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.926 -0.933 9.485 1.00 0.00 H new ATOM 377 N GLU A 25 30.020 1.635 10.763 1.00 0.00 N ATOM 378 CA GLU A 25 30.155 3.087 10.748 1.00 0.00 C ATOM 379 C GLU A 25 30.630 3.603 12.103 1.00 0.00 C ATOM 380 O GLU A 25 31.409 4.552 12.179 1.00 0.00 O ATOM 381 CB GLU A 25 28.822 3.741 10.380 1.00 0.00 C ATOM 382 CG GLU A 25 28.973 5.110 9.736 1.00 0.00 C ATOM 383 CD GLU A 25 27.738 5.531 8.964 1.00 0.00 C ATOM 384 OE1 GLU A 25 26.738 5.913 9.608 1.00 0.00 O ATOM 385 OE2 GLU A 25 27.770 5.479 7.717 1.00 0.00 O ATOM 0 H GLU A 25 29.101 1.294 10.483 1.00 0.00 H new ATOM 0 HA GLU A 25 30.900 3.350 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 25 28.281 3.085 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 25 28.213 3.837 11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 29.184 5.850 10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 29.831 5.098 9.064 1.00 0.00 H new ATOM 392 N ALA A 26 30.154 2.970 13.171 1.00 0.00 N ATOM 393 CA ALA A 26 30.530 3.363 14.523 1.00 0.00 C ATOM 394 C ALA A 26 31.950 2.912 14.851 1.00 0.00 C ATOM 395 O ALA A 26 32.685 3.603 15.557 1.00 0.00 O ATOM 396 CB ALA A 26 29.546 2.791 15.532 1.00 0.00 C ATOM 0 H ALA A 26 29.507 2.183 13.125 1.00 0.00 H new ATOM 0 HA ALA A 26 30.500 4.451 14.580 1.00 0.00 H new ATOM 0 HB1 ALA A 26 29.839 3.093 16.538 1.00 0.00 H new ATOM 0 HB2 ALA A 26 28.545 3.167 15.318 1.00 0.00 H new ATOM 0 HB3 ALA A 26 29.547 1.703 15.465 1.00 0.00 H new ATOM 402 N LYS A 27 32.330 1.749 14.334 1.00 0.00 N ATOM 403 CA LYS A 27 33.662 1.205 14.571 1.00 0.00 C ATOM 404 C LYS A 27 34.710 1.961 13.761 1.00 0.00 C ATOM 405 O LYS A 27 35.879 2.018 14.141 1.00 0.00 O ATOM 406 CB LYS A 27 33.699 -0.282 14.211 1.00 0.00 C ATOM 407 CG LYS A 27 33.191 -1.189 15.318 1.00 0.00 C ATOM 408 CD LYS A 27 33.641 -2.626 15.114 1.00 0.00 C ATOM 409 CE LYS A 27 35.002 -2.878 15.745 1.00 0.00 C ATOM 410 NZ LYS A 27 34.892 -3.175 17.200 1.00 0.00 N ATOM 0 H LYS A 27 31.734 1.164 13.748 1.00 0.00 H new ATOM 0 HA LYS A 27 33.892 1.322 15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.100 -0.445 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 27 34.723 -0.562 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.553 -0.827 16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.102 -1.149 15.351 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.906 -3.304 15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 33.687 -2.846 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.488 -3.713 15.240 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.637 -2.004 15.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.840 -3.341 17.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.452 -2.368 17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.307 -4.024 17.338 1.00 0.00 H new ATOM 424 N ASN A 28 34.284 2.541 12.644 1.00 0.00 N ATOM 425 CA ASN A 28 35.186 3.295 11.781 1.00 0.00 C ATOM 426 C ASN A 28 35.699 4.545 12.490 1.00 0.00 C ATOM 427 O ASN A 28 36.906 4.739 12.632 1.00 0.00 O ATOM 428 CB ASN A 28 34.477 3.685 10.483 1.00 0.00 C ATOM 429 CG ASN A 28 34.043 2.478 9.675 1.00 0.00 C ATOM 430 OD1 ASN A 28 32.901 2.396 9.225 1.00 0.00 O ATOM 431 ND2 ASN A 28 34.957 1.532 9.488 1.00 0.00 N ATOM 0 H ASN A 28 33.319 2.503 12.315 1.00 0.00 H new ATOM 0 HA ASN A 28 36.038 2.658 11.544 1.00 0.00 H new ATOM 0 HB2 ASN A 28 33.604 4.294 10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 28 35.143 4.302 9.880 1.00 0.00 H new ATOM 0 HD21 ASN A 28 34.723 0.696 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 28 35.892 1.642 9.880 1.00 0.00 H new ATOM 438 N ARG A 29 34.772 5.388 12.934 1.00 0.00 N ATOM 439 CA ARG A 29 35.130 6.620 13.628 1.00 0.00 C ATOM 440 C ARG A 29 35.876 6.317 14.924 1.00 0.00 C ATOM 441 O ARG A 29 36.694 7.115 15.382 1.00 0.00 O ATOM 442 CB ARG A 29 33.876 7.443 13.929 1.00 0.00 C ATOM 443 CG ARG A 29 33.028 6.872 15.054 1.00 0.00 C ATOM 444 CD ARG A 29 33.379 7.504 16.392 1.00 0.00 C ATOM 445 NE ARG A 29 33.173 6.580 17.504 1.00 0.00 N ATOM 446 CZ ARG A 29 33.041 6.968 18.767 1.00 0.00 C ATOM 447 NH1 ARG A 29 33.092 8.256 19.077 1.00 0.00 N ATOM 448 NH2 ARG A 29 32.857 6.067 19.724 1.00 0.00 N ATOM 0 H ARG A 29 33.769 5.241 12.826 1.00 0.00 H new ATOM 0 HA ARG A 29 35.787 7.196 12.977 1.00 0.00 H new ATOM 0 HB2 ARG A 29 34.172 8.459 14.189 1.00 0.00 H new ATOM 0 HB3 ARG A 29 33.269 7.509 13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 29 31.973 7.039 14.837 1.00 0.00 H new ATOM 0 HG3 ARG A 29 33.175 5.793 15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 29 34.420 7.828 16.378 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.770 8.395 16.543 1.00 0.00 H new ATOM 0 HE ARG A 29 33.128 5.582 17.299 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.233 8.952 18.344 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.990 8.551 20.048 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.817 5.075 19.490 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.756 6.366 20.694 1.00 0.00 H new ATOM 462 N ALA A 30 35.588 5.159 15.509 1.00 0.00 N ATOM 463 CA ALA A 30 36.233 4.750 16.751 1.00 0.00 C ATOM 464 C ALA A 30 37.708 4.433 16.526 1.00 0.00 C ATOM 465 O ALA A 30 38.556 4.766 17.353 1.00 0.00 O ATOM 466 CB ALA A 30 35.517 3.546 17.346 1.00 0.00 C ATOM 0 H ALA A 30 34.913 4.488 15.143 1.00 0.00 H new ATOM 0 HA ALA A 30 36.170 5.580 17.454 1.00 0.00 H new ATOM 0 HB1 ALA A 30 36.009 3.251 18.273 1.00 0.00 H new ATOM 0 HB2 ALA A 30 34.479 3.806 17.553 1.00 0.00 H new ATOM 0 HB3 ALA A 30 35.549 2.717 16.639 1.00 0.00 H new ATOM 472 N GLU A 31 38.005 3.788 15.402 1.00 0.00 N ATOM 473 CA GLU A 31 39.377 3.425 15.071 1.00 0.00 C ATOM 474 C GLU A 31 40.191 4.661 14.695 1.00 0.00 C ATOM 475 O GLU A 31 41.413 4.679 14.841 1.00 0.00 O ATOM 476 CB GLU A 31 39.398 2.418 13.919 1.00 0.00 C ATOM 477 CG GLU A 31 39.149 0.985 14.359 1.00 0.00 C ATOM 478 CD GLU A 31 40.418 0.282 14.803 1.00 0.00 C ATOM 479 OE1 GLU A 31 41.437 0.973 15.012 1.00 0.00 O ATOM 480 OE2 GLU A 31 40.390 -0.959 14.941 1.00 0.00 O ATOM 0 H GLU A 31 37.314 3.507 14.706 1.00 0.00 H new ATOM 0 HA GLU A 31 39.827 2.968 15.952 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.642 2.701 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 40.364 2.473 13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 38.430 0.980 15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 31 38.699 0.429 13.536 1.00 0.00 H new ATOM 487 N GLN A 32 39.503 5.690 14.211 1.00 0.00 N ATOM 488 CA GLN A 32 40.162 6.928 13.813 1.00 0.00 C ATOM 489 C GLN A 32 40.804 7.614 15.015 1.00 0.00 C ATOM 490 O GLN A 32 41.773 8.360 14.871 1.00 0.00 O ATOM 491 CB GLN A 32 39.159 7.873 13.148 1.00 0.00 C ATOM 492 CG GLN A 32 39.783 9.163 12.639 1.00 0.00 C ATOM 493 CD GLN A 32 40.728 8.934 11.476 1.00 0.00 C ATOM 494 OE1 GLN A 32 40.303 8.848 10.324 1.00 0.00 O ATOM 495 NE2 GLN A 32 42.019 8.836 11.772 1.00 0.00 N ATOM 0 H GLN A 32 38.491 5.691 14.085 1.00 0.00 H new ATOM 0 HA GLN A 32 40.946 6.679 13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 32 38.683 7.356 12.315 1.00 0.00 H new ATOM 0 HB3 GLN A 32 38.373 8.117 13.863 1.00 0.00 H new ATOM 0 HG2 GLN A 32 38.993 9.848 12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 32 40.324 9.646 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 32 42.327 8.913 12.741 1.00 0.00 H new ATOM 0 HE22 GLN A 32 42.702 8.683 11.030 1.00 0.00 H new ATOM 504 N ILE A 33 40.258 7.355 16.198 1.00 0.00 N ATOM 505 CA ILE A 33 40.779 7.947 17.425 1.00 0.00 C ATOM 506 C ILE A 33 41.927 7.118 17.991 1.00 0.00 C ATOM 507 O ILE A 33 42.995 7.646 18.301 1.00 0.00 O ATOM 508 CB ILE A 33 39.680 8.081 18.496 1.00 0.00 C ATOM 509 CG1 ILE A 33 38.528 8.941 17.971 1.00 0.00 C ATOM 510 CG2 ILE A 33 40.255 8.676 19.772 1.00 0.00 C ATOM 511 CD1 ILE A 33 37.302 8.913 18.857 1.00 0.00 C ATOM 0 H ILE A 33 39.456 6.740 16.333 1.00 0.00 H new ATOM 0 HA ILE A 33 41.145 8.940 17.166 1.00 0.00 H new ATOM 0 HB ILE A 33 39.292 7.088 18.724 1.00 0.00 H new ATOM 0 HG12 ILE A 33 38.870 9.971 17.870 1.00 0.00 H new ATOM 0 HG13 ILE A 33 38.254 8.597 16.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 39.467 8.765 20.520 1.00 0.00 H new ATOM 0 HG22 ILE A 33 41.044 8.028 20.152 1.00 0.00 H new ATOM 0 HG23 ILE A 33 40.667 9.663 19.560 1.00 0.00 H new ATOM 0 HD11 ILE A 33 36.526 9.544 18.424 1.00 0.00 H new ATOM 0 HD12 ILE A 33 36.935 7.890 18.938 1.00 0.00 H new ATOM 0 HD13 ILE A 33 37.561 9.285 19.848 1.00 0.00 H new ATOM 523 N LYS A 34 41.700 5.815 18.120 1.00 0.00 N ATOM 524 CA LYS A 34 42.716 4.910 18.646 1.00 0.00 C ATOM 525 C LYS A 34 43.911 4.826 17.702 1.00 0.00 C ATOM 526 O LYS A 34 45.029 4.533 18.125 1.00 0.00 O ATOM 527 CB LYS A 34 42.124 3.516 18.861 1.00 0.00 C ATOM 528 CG LYS A 34 41.314 3.389 20.140 1.00 0.00 C ATOM 529 CD LYS A 34 39.854 3.741 19.913 1.00 0.00 C ATOM 530 CE LYS A 34 39.104 2.600 19.242 1.00 0.00 C ATOM 531 NZ LYS A 34 38.866 1.467 20.178 1.00 0.00 N ATOM 0 H LYS A 34 40.822 5.362 17.868 1.00 0.00 H new ATOM 0 HA LYS A 34 43.058 5.305 19.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.488 3.266 18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 34 42.933 2.786 18.879 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.389 2.370 20.519 1.00 0.00 H new ATOM 0 HG3 LYS A 34 41.733 4.045 20.903 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.383 3.976 20.867 1.00 0.00 H new ATOM 0 HD3 LYS A 34 39.786 4.636 19.295 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.149 2.966 18.864 1.00 0.00 H new ATOM 0 HE3 LYS A 34 39.673 2.247 18.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 38.160 0.822 19.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 39.756 0.952 20.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.515 1.834 21.086 1.00 0.00 H new ATOM 545 N ALA A 35 43.667 5.087 16.421 1.00 0.00 N ATOM 546 CA ALA A 35 44.724 5.044 15.419 1.00 0.00 C ATOM 547 C ALA A 35 45.892 5.941 15.813 1.00 0.00 C ATOM 548 O ALA A 35 47.040 5.670 15.464 1.00 0.00 O ATOM 549 CB ALA A 35 44.178 5.453 14.059 1.00 0.00 C ATOM 0 H ALA A 35 42.747 5.330 16.054 1.00 0.00 H new ATOM 0 HA ALA A 35 45.092 4.020 15.359 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.978 5.417 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.382 4.769 13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.782 6.467 14.116 1.00 0.00 H new ATOM 555 N GLU A 36 45.591 7.011 16.543 1.00 0.00 N ATOM 556 CA GLU A 36 46.617 7.948 16.984 1.00 0.00 C ATOM 557 C GLU A 36 47.660 7.246 17.849 1.00 0.00 C ATOM 558 O GLU A 36 48.818 7.660 17.902 1.00 0.00 O ATOM 559 CB GLU A 36 45.984 9.102 17.764 1.00 0.00 C ATOM 560 CG GLU A 36 45.051 9.962 16.929 1.00 0.00 C ATOM 561 CD GLU A 36 44.303 10.987 17.759 1.00 0.00 C ATOM 562 OE1 GLU A 36 43.915 10.659 18.900 1.00 0.00 O ATOM 563 OE2 GLU A 36 44.106 12.119 17.267 1.00 0.00 O ATOM 0 H GLU A 36 44.645 7.250 16.841 1.00 0.00 H new ATOM 0 HA GLU A 36 47.113 8.346 16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 36 45.430 8.696 18.611 1.00 0.00 H new ATOM 0 HB3 GLU A 36 46.775 9.730 18.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 45.627 10.474 16.159 1.00 0.00 H new ATOM 0 HG3 GLU A 36 44.333 9.321 16.417 1.00 0.00 H new ATOM 570 N ALA A 37 47.240 6.182 18.525 1.00 0.00 N ATOM 571 CA ALA A 37 48.137 5.422 19.386 1.00 0.00 C ATOM 572 C ALA A 37 49.008 4.473 18.570 1.00 0.00 C ATOM 573 O ALA A 37 49.983 3.919 19.079 1.00 0.00 O ATOM 574 CB ALA A 37 47.340 4.648 20.426 1.00 0.00 C ATOM 0 H ALA A 37 46.284 5.827 18.493 1.00 0.00 H new ATOM 0 HA ALA A 37 48.793 6.126 19.897 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.023 4.085 21.062 1.00 0.00 H new ATOM 0 HB2 ALA A 37 46.766 5.345 21.037 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.660 3.959 19.925 1.00 0.00 H new ATOM 580 N ILE A 38 48.649 4.289 17.304 1.00 0.00 N ATOM 581 CA ILE A 38 49.399 3.407 16.419 1.00 0.00 C ATOM 582 C ILE A 38 50.279 4.206 15.464 1.00 0.00 C ATOM 583 O ILE A 38 51.268 3.693 14.940 1.00 0.00 O ATOM 584 CB ILE A 38 48.460 2.502 15.599 1.00 0.00 C ATOM 585 CG1 ILE A 38 47.615 1.631 16.529 1.00 0.00 C ATOM 586 CG2 ILE A 38 49.264 1.638 14.639 1.00 0.00 C ATOM 587 CD1 ILE A 38 46.131 1.906 16.432 1.00 0.00 C ATOM 0 H ILE A 38 47.844 4.739 16.868 1.00 0.00 H new ATOM 0 HA ILE A 38 50.029 2.783 17.054 1.00 0.00 H new ATOM 0 HB ILE A 38 47.789 3.132 15.015 1.00 0.00 H new ATOM 0 HG12 ILE A 38 47.798 0.582 16.296 1.00 0.00 H new ATOM 0 HG13 ILE A 38 47.939 1.791 17.557 1.00 0.00 H new ATOM 0 HG21 ILE A 38 48.587 1.004 14.066 1.00 0.00 H new ATOM 0 HG22 ILE A 38 49.826 2.277 13.958 1.00 0.00 H new ATOM 0 HG23 ILE A 38 49.956 1.013 15.204 1.00 0.00 H new ATOM 0 HD11 ILE A 38 45.594 1.252 17.119 1.00 0.00 H new ATOM 0 HD12 ILE A 38 45.936 2.946 16.694 1.00 0.00 H new ATOM 0 HD13 ILE A 38 45.792 1.718 15.413 1.00 0.00 H new ATOM 599 N GLU A 39 49.914 5.465 15.244 1.00 0.00 N ATOM 600 CA GLU A 39 50.672 6.335 14.352 1.00 0.00 C ATOM 601 C GLU A 39 52.129 6.431 14.795 1.00 0.00 C ATOM 602 O GLU A 39 53.008 6.767 14.002 1.00 0.00 O ATOM 603 CB GLU A 39 50.047 7.731 14.312 1.00 0.00 C ATOM 604 CG GLU A 39 50.370 8.578 15.531 1.00 0.00 C ATOM 605 CD GLU A 39 49.270 9.567 15.864 1.00 0.00 C ATOM 606 OE1 GLU A 39 48.434 9.843 14.978 1.00 0.00 O ATOM 607 OE2 GLU A 39 49.244 10.065 17.009 1.00 0.00 O ATOM 0 H GLU A 39 49.099 5.905 15.671 1.00 0.00 H new ATOM 0 HA GLU A 39 50.642 5.902 13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 39 50.393 8.249 13.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 48.965 7.633 14.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 50.538 7.925 16.388 1.00 0.00 H new ATOM 0 HG3 GLU A 39 51.299 9.120 15.356 1.00 0.00 H new ATOM 614 N GLU A 40 52.376 6.133 16.066 1.00 0.00 N ATOM 615 CA GLU A 40 53.726 6.187 16.615 1.00 0.00 C ATOM 616 C GLU A 40 54.543 4.977 16.170 1.00 0.00 C ATOM 617 O GLU A 40 55.724 5.097 15.846 1.00 0.00 O ATOM 618 CB GLU A 40 53.678 6.251 18.143 1.00 0.00 C ATOM 619 CG GLU A 40 55.003 6.639 18.778 1.00 0.00 C ATOM 620 CD GLU A 40 54.833 7.235 20.162 1.00 0.00 C ATOM 621 OE1 GLU A 40 54.639 8.465 20.259 1.00 0.00 O ATOM 622 OE2 GLU A 40 54.896 6.472 21.148 1.00 0.00 O ATOM 0 H GLU A 40 51.659 5.852 16.735 1.00 0.00 H new ATOM 0 HA GLU A 40 54.208 7.088 16.237 1.00 0.00 H new ATOM 0 HB2 GLU A 40 52.916 6.970 18.444 1.00 0.00 H new ATOM 0 HB3 GLU A 40 53.370 5.279 18.529 1.00 0.00 H new ATOM 0 HG2 GLU A 40 55.643 5.759 18.841 1.00 0.00 H new ATOM 0 HG3 GLU A 40 55.512 7.358 18.137 1.00 0.00 H new ATOM 629 N ALA A 41 53.904 3.812 16.160 1.00 0.00 N ATOM 630 CA ALA A 41 54.570 2.580 15.754 1.00 0.00 C ATOM 631 C ALA A 41 55.020 2.652 14.299 1.00 0.00 C ATOM 632 O ALA A 41 56.001 2.019 13.910 1.00 0.00 O ATOM 633 CB ALA A 41 53.648 1.388 15.965 1.00 0.00 C ATOM 0 H ALA A 41 52.927 3.695 16.428 1.00 0.00 H new ATOM 0 HA ALA A 41 55.457 2.454 16.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.158 0.475 15.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.380 1.317 17.019 1.00 0.00 H new ATOM 0 HB3 ALA A 41 52.744 1.517 15.369 1.00 0.00 H new ATOM 639 N LYS A 42 54.296 3.427 13.499 1.00 0.00 N ATOM 640 CA LYS A 42 54.620 3.584 12.086 1.00 0.00 C ATOM 641 C LYS A 42 55.932 4.342 11.909 1.00 0.00 C ATOM 642 O LYS A 42 56.499 4.377 10.817 1.00 0.00 O ATOM 643 CB LYS A 42 53.492 4.320 11.361 1.00 0.00 C ATOM 644 CG LYS A 42 52.438 3.394 10.778 1.00 0.00 C ATOM 645 CD LYS A 42 51.754 2.576 11.860 1.00 0.00 C ATOM 646 CE LYS A 42 50.724 1.623 11.272 1.00 0.00 C ATOM 647 NZ LYS A 42 51.361 0.557 10.450 1.00 0.00 N ATOM 0 H LYS A 42 53.480 3.957 13.805 1.00 0.00 H new ATOM 0 HA LYS A 42 54.734 2.590 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 42 53.013 5.009 12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.919 4.922 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 42 51.694 3.981 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 42 52.901 2.725 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 42 52.501 2.009 12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 51.268 3.245 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 42 50.150 1.166 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 42 50.020 2.184 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 50.657 -0.173 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 51.728 0.971 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 52.144 0.128 10.984 1.00 0.00 H new ATOM 661 N LYS A 43 56.410 4.948 12.991 1.00 0.00 N ATOM 662 CA LYS A 43 57.657 5.703 12.957 1.00 0.00 C ATOM 663 C LYS A 43 58.796 4.849 12.411 1.00 0.00 C ATOM 664 O LYS A 43 59.750 5.368 11.829 1.00 0.00 O ATOM 665 CB LYS A 43 58.010 6.207 14.359 1.00 0.00 C ATOM 666 CG LYS A 43 59.114 7.250 14.370 1.00 0.00 C ATOM 667 CD LYS A 43 58.572 8.639 14.080 1.00 0.00 C ATOM 668 CE LYS A 43 59.625 9.710 14.322 1.00 0.00 C ATOM 669 NZ LYS A 43 60.441 9.970 13.103 1.00 0.00 N ATOM 0 H LYS A 43 55.952 4.931 13.902 1.00 0.00 H new ATOM 0 HA LYS A 43 57.517 6.557 12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 43 57.117 6.630 14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 43 58.315 5.361 14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 43 59.609 7.247 15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 43 59.868 6.990 13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 58.231 8.689 13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 43 57.704 8.831 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 43 59.139 10.633 14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 43 60.278 9.399 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.147 10.706 13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 60.925 9.095 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.821 10.291 12.332 1.00 0.00 H new ATOM 683 N LEU A 44 58.690 3.539 12.599 1.00 0.00 N ATOM 684 CA LEU A 44 59.711 2.612 12.123 1.00 0.00 C ATOM 685 C LEU A 44 59.234 1.866 10.881 1.00 0.00 C ATOM 686 O LEU A 44 59.620 0.721 10.646 1.00 0.00 O ATOM 687 CB LEU A 44 60.075 1.613 13.223 1.00 0.00 C ATOM 688 CG LEU A 44 58.904 1.046 14.028 1.00 0.00 C ATOM 689 CD1 LEU A 44 59.191 -0.387 14.448 1.00 0.00 C ATOM 690 CD2 LEU A 44 58.623 1.914 15.245 1.00 0.00 C ATOM 0 H LEU A 44 57.907 3.094 13.078 1.00 0.00 H new ATOM 0 HA LEU A 44 60.596 3.191 11.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 60.613 0.782 12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 44 60.764 2.099 13.914 1.00 0.00 H new ATOM 0 HG LEU A 44 58.017 1.047 13.394 1.00 0.00 H new ATOM 0 HD11 LEU A 44 58.348 -0.774 15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 44 59.342 -1.003 13.561 1.00 0.00 H new ATOM 0 HD13 LEU A 44 60.089 -0.412 15.065 1.00 0.00 H new ATOM 0 HD21 LEU A 44 57.787 1.495 15.805 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.507 1.945 15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.373 2.924 14.921 1.00 0.00 H new ATOM 702 N ILE A 45 58.394 2.524 10.089 1.00 0.00 N ATOM 703 CA ILE A 45 57.867 1.924 8.870 1.00 0.00 C ATOM 704 C ILE A 45 58.042 2.859 7.677 1.00 0.00 C ATOM 705 O ILE A 45 57.846 4.068 7.790 1.00 0.00 O ATOM 706 CB ILE A 45 56.375 1.571 9.015 1.00 0.00 C ATOM 707 CG1 ILE A 45 56.204 0.352 9.924 1.00 0.00 C ATOM 708 CG2 ILE A 45 55.756 1.311 7.650 1.00 0.00 C ATOM 709 CD1 ILE A 45 56.431 0.654 11.389 1.00 0.00 C ATOM 0 H ILE A 45 58.064 3.472 10.270 1.00 0.00 H new ATOM 0 HA ILE A 45 58.434 1.009 8.699 1.00 0.00 H new ATOM 0 HB ILE A 45 55.859 2.417 9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 45 55.198 -0.049 9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 45 56.900 -0.426 9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 45 54.701 1.063 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 45 55.851 2.204 7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 45 56.272 0.480 7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 45 56.293 -0.256 11.974 1.00 0.00 H new ATOM 0 HD12 ILE A 45 57.446 1.026 11.531 1.00 0.00 H new ATOM 0 HD13 ILE A 45 55.718 1.409 11.720 1.00 0.00 H new ATOM 721 N ALA A 46 58.411 2.289 6.535 1.00 0.00 N ATOM 722 CA ALA A 46 58.609 3.070 5.320 1.00 0.00 C ATOM 723 C ALA A 46 57.670 2.607 4.211 1.00 0.00 C ATOM 724 O ALA A 46 57.017 1.570 4.330 1.00 0.00 O ATOM 725 CB ALA A 46 60.057 2.976 4.862 1.00 0.00 C ATOM 0 H ALA A 46 58.579 1.289 6.426 1.00 0.00 H new ATOM 0 HA ALA A 46 58.378 4.111 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.190 3.564 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.712 3.362 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.308 1.935 4.660 1.00 0.00 H new ATOM 731 N CYS A 47 57.607 3.382 3.134 1.00 0.00 N ATOM 732 CA CYS A 47 56.746 3.052 2.004 1.00 0.00 C ATOM 733 C CYS A 47 57.576 2.716 0.769 1.00 0.00 C ATOM 734 O CYS A 47 57.066 2.711 -0.351 1.00 0.00 O ATOM 735 CB CYS A 47 55.803 4.216 1.698 1.00 0.00 C ATOM 736 SG CYS A 47 56.646 5.750 1.243 1.00 0.00 S ATOM 0 H CYS A 47 58.142 4.243 3.019 1.00 0.00 H new ATOM 0 HA CYS A 47 56.155 2.176 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 47 55.137 3.926 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 47 55.178 4.403 2.572 1.00 0.00 H new ATOM 0 HG CYS A 47 55.764 6.674 1.001 1.00 0.00 H new TER 742 CYS A 47