USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=6 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 -164:sc= -0.0123 (180deg=-0.485) 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 173:sc= 0 (180deg=-0.0514) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.0085) 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= -0.186 X(o=-0.19,f=0) USER MOD Single : A 32 GLN : amide:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.351) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc=-0.00223 (180deg=-0.105) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.677 -5.762 -13.714 1.00 0.00 N ATOM 2 CA MET A 1 25.653 -4.469 -13.039 1.00 0.00 C ATOM 3 C MET A 1 26.677 -4.426 -11.910 1.00 0.00 C ATOM 4 O MET A 1 27.552 -3.561 -11.885 1.00 0.00 O ATOM 5 CB MET A 1 24.255 -4.185 -12.486 1.00 0.00 C ATOM 6 CG MET A 1 24.142 -2.844 -11.779 1.00 0.00 C ATOM 7 SD MET A 1 24.265 -1.448 -12.913 1.00 0.00 S ATOM 8 CE MET A 1 25.861 -0.777 -12.452 1.00 0.00 C ATOM 0 H1 MET A 1 24.972 -5.768 -14.478 1.00 0.00 H new ATOM 0 H2 MET A 1 26.623 -5.927 -14.114 1.00 0.00 H new ATOM 0 H3 MET A 1 25.454 -6.514 -13.031 1.00 0.00 H new ATOM 0 HA MET A 1 25.911 -3.701 -13.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.536 -4.217 -13.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.981 -4.978 -11.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.190 -2.795 -11.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.928 -2.767 -11.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.959 0.234 -12.848 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.944 -0.750 -11.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.652 -1.405 -12.861 1.00 0.00 H new ATOM 18 N GLY A 2 26.562 -5.366 -10.976 1.00 0.00 N ATOM 19 CA GLY A 2 27.485 -5.416 -9.857 1.00 0.00 C ATOM 20 C GLY A 2 26.809 -5.837 -8.567 1.00 0.00 C ATOM 21 O GLY A 2 26.194 -5.017 -7.884 1.00 0.00 O ATOM 0 H GLY A 2 25.847 -6.093 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 2 28.291 -6.113 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 2 27.941 -4.435 -9.722 1.00 0.00 H new ATOM 25 N VAL A 3 26.921 -7.118 -8.232 1.00 0.00 N ATOM 26 CA VAL A 3 26.315 -7.646 -7.015 1.00 0.00 C ATOM 27 C VAL A 3 24.802 -7.468 -7.033 1.00 0.00 C ATOM 28 O VAL A 3 24.232 -6.820 -6.155 1.00 0.00 O ATOM 29 CB VAL A 3 26.888 -6.961 -5.760 1.00 0.00 C ATOM 30 CG1 VAL A 3 26.440 -7.690 -4.503 1.00 0.00 C ATOM 31 CG2 VAL A 3 28.405 -6.893 -5.836 1.00 0.00 C ATOM 0 H VAL A 3 27.426 -7.810 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 3 26.552 -8.709 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 3 26.504 -5.942 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 3 26.854 -7.192 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 3 25.352 -7.680 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 3 26.793 -8.721 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 3 28.793 -6.406 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 3 28.811 -7.902 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 3 28.700 -6.322 -6.716 1.00 0.00 H new ATOM 41 N SER A 4 24.154 -8.047 -8.039 1.00 0.00 N ATOM 42 CA SER A 4 22.706 -7.949 -8.174 1.00 0.00 C ATOM 43 C SER A 4 22.088 -9.325 -8.407 1.00 0.00 C ATOM 44 O SER A 4 21.157 -9.474 -9.199 1.00 0.00 O ATOM 45 CB SER A 4 22.342 -7.012 -9.326 1.00 0.00 C ATOM 46 OG SER A 4 22.984 -5.757 -9.185 1.00 0.00 O ATOM 0 H SER A 4 24.610 -8.589 -8.773 1.00 0.00 H new ATOM 0 HA SER A 4 22.306 -7.543 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.630 -7.467 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.262 -6.870 -9.356 1.00 0.00 H new ATOM 0 HG SER A 4 22.736 -5.177 -9.935 1.00 0.00 H new ATOM 52 N VAL A 5 22.612 -10.328 -7.710 1.00 0.00 N ATOM 53 CA VAL A 5 22.112 -11.692 -7.840 1.00 0.00 C ATOM 54 C VAL A 5 21.180 -12.047 -6.687 1.00 0.00 C ATOM 55 O VAL A 5 21.075 -13.209 -6.296 1.00 0.00 O ATOM 56 CB VAL A 5 23.267 -12.710 -7.884 1.00 0.00 C ATOM 57 CG1 VAL A 5 24.052 -12.572 -9.180 1.00 0.00 C ATOM 58 CG2 VAL A 5 24.177 -12.536 -6.678 1.00 0.00 C ATOM 0 H VAL A 5 23.382 -10.222 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 5 21.559 -11.740 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 5 22.844 -13.714 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 5 24.864 -13.299 -9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 5 23.390 -12.752 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.465 -11.566 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.987 -13.263 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.593 -11.529 -6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.604 -12.691 -5.764 1.00 0.00 H new ATOM 68 N MET A 6 20.504 -11.038 -6.148 1.00 0.00 N ATOM 69 CA MET A 6 19.578 -11.244 -5.040 1.00 0.00 C ATOM 70 C MET A 6 18.491 -12.245 -5.420 1.00 0.00 C ATOM 71 O MET A 6 17.929 -12.920 -4.558 1.00 0.00 O ATOM 72 CB MET A 6 18.942 -9.916 -4.625 1.00 0.00 C ATOM 73 CG MET A 6 19.897 -8.987 -3.894 1.00 0.00 C ATOM 74 SD MET A 6 19.209 -7.340 -3.644 1.00 0.00 S ATOM 75 CE MET A 6 17.972 -7.676 -2.393 1.00 0.00 C ATOM 0 H MET A 6 20.580 -10.070 -6.460 1.00 0.00 H new ATOM 0 HA MET A 6 20.141 -11.647 -4.198 1.00 0.00 H new ATOM 0 HB2 MET A 6 18.565 -9.410 -5.514 1.00 0.00 H new ATOM 0 HB3 MET A 6 18.083 -10.118 -3.985 1.00 0.00 H new ATOM 0 HG2 MET A 6 20.151 -9.421 -2.927 1.00 0.00 H new ATOM 0 HG3 MET A 6 20.825 -8.907 -4.461 1.00 0.00 H new ATOM 0 HE1 MET A 6 17.545 -6.737 -2.042 1.00 0.00 H new ATOM 0 HE2 MET A 6 17.184 -8.297 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 6 18.434 -8.199 -1.556 1.00 0.00 H new ATOM 85 N GLU A 7 18.200 -12.335 -6.714 1.00 0.00 N ATOM 86 CA GLU A 7 17.180 -13.253 -7.205 1.00 0.00 C ATOM 87 C GLU A 7 17.816 -14.516 -7.780 1.00 0.00 C ATOM 88 O GLU A 7 17.221 -15.593 -7.747 1.00 0.00 O ATOM 89 CB GLU A 7 16.320 -12.571 -8.272 1.00 0.00 C ATOM 90 CG GLU A 7 15.361 -13.517 -8.976 1.00 0.00 C ATOM 91 CD GLU A 7 14.310 -12.784 -9.787 1.00 0.00 C ATOM 92 OE1 GLU A 7 14.666 -12.208 -10.836 1.00 0.00 O ATOM 93 OE2 GLU A 7 13.132 -12.787 -9.372 1.00 0.00 O ATOM 0 H GLU A 7 18.656 -11.783 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 7 16.547 -13.536 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.749 -11.767 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.973 -12.111 -9.013 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.926 -14.179 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.869 -14.147 -8.235 1.00 0.00 H new ATOM 100 N ALA A 8 19.028 -14.374 -8.306 1.00 0.00 N ATOM 101 CA ALA A 8 19.745 -15.503 -8.886 1.00 0.00 C ATOM 102 C ALA A 8 20.125 -16.520 -7.816 1.00 0.00 C ATOM 103 O ALA A 8 20.041 -17.729 -8.038 1.00 0.00 O ATOM 104 CB ALA A 8 20.986 -15.018 -9.621 1.00 0.00 C ATOM 0 H ALA A 8 19.534 -13.489 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 8 19.083 -15.995 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.512 -15.871 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 8 20.693 -14.335 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 21.643 -14.500 -8.923 1.00 0.00 H new ATOM 110 N ILE A 9 20.544 -16.024 -6.657 1.00 0.00 N ATOM 111 CA ILE A 9 20.937 -16.891 -5.553 1.00 0.00 C ATOM 112 C ILE A 9 19.715 -17.436 -4.821 1.00 0.00 C ATOM 113 O ILE A 9 19.492 -18.646 -4.777 1.00 0.00 O ATOM 114 CB ILE A 9 21.836 -16.149 -4.547 1.00 0.00 C ATOM 115 CG1 ILE A 9 23.089 -15.617 -5.245 1.00 0.00 C ATOM 116 CG2 ILE A 9 22.215 -17.069 -3.396 1.00 0.00 C ATOM 117 CD1 ILE A 9 23.929 -16.699 -5.887 1.00 0.00 C ATOM 0 H ILE A 9 20.620 -15.027 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 9 21.498 -17.719 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 9 21.281 -15.303 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.792 -14.898 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.698 -15.078 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 9 22.851 -16.530 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 9 21.312 -17.404 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.754 -17.933 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 9 24.800 -16.249 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 24.256 -17.406 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.336 -17.223 -6.637 1.00 0.00 H new ATOM 129 N LYS A 10 18.926 -16.535 -4.247 1.00 0.00 N ATOM 130 CA LYS A 10 17.724 -16.923 -3.518 1.00 0.00 C ATOM 131 C LYS A 10 16.910 -15.696 -3.118 1.00 0.00 C ATOM 132 O LYS A 10 17.466 -14.688 -2.683 1.00 0.00 O ATOM 133 CB LYS A 10 18.096 -17.730 -2.273 1.00 0.00 C ATOM 134 CG LYS A 10 18.889 -16.937 -1.248 1.00 0.00 C ATOM 135 CD LYS A 10 19.225 -17.779 -0.029 1.00 0.00 C ATOM 136 CE LYS A 10 20.529 -18.538 -0.217 1.00 0.00 C ATOM 137 NZ LYS A 10 20.772 -19.507 0.887 1.00 0.00 N ATOM 0 H LYS A 10 19.097 -15.530 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 10 17.114 -17.542 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.184 -18.102 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.678 -18.601 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.809 -16.571 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.316 -16.063 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.300 -17.137 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.416 -18.485 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 10 20.505 -19.070 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 10 21.357 -17.831 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.671 -20.004 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.820 -18.997 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 19.995 -20.198 0.920 1.00 0.00 H new ATOM 151 N GLU A 11 15.593 -15.791 -3.266 1.00 0.00 N ATOM 152 CA GLU A 11 14.704 -14.689 -2.918 1.00 0.00 C ATOM 153 C GLU A 11 14.531 -14.585 -1.406 1.00 0.00 C ATOM 154 O GLU A 11 13.839 -15.397 -0.792 1.00 0.00 O ATOM 155 CB GLU A 11 13.340 -14.873 -3.587 1.00 0.00 C ATOM 156 CG GLU A 11 12.581 -13.573 -3.790 1.00 0.00 C ATOM 157 CD GLU A 11 11.290 -13.765 -4.561 1.00 0.00 C ATOM 158 OE1 GLU A 11 11.026 -14.905 -5.000 1.00 0.00 O ATOM 159 OE2 GLU A 11 10.544 -12.778 -4.727 1.00 0.00 O ATOM 0 H GLU A 11 15.118 -16.619 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 11 15.156 -13.765 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.481 -15.356 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.735 -15.546 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.357 -13.132 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.216 -12.865 -4.323 1.00 0.00 H new ATOM 166 N VAL A 12 15.167 -13.580 -0.811 1.00 0.00 N ATOM 167 CA VAL A 12 15.083 -13.369 0.630 1.00 0.00 C ATOM 168 C VAL A 12 14.918 -11.890 0.959 1.00 0.00 C ATOM 169 O VAL A 12 14.101 -11.518 1.803 1.00 0.00 O ATOM 170 CB VAL A 12 16.335 -13.907 1.349 1.00 0.00 C ATOM 171 CG1 VAL A 12 16.200 -15.399 1.611 1.00 0.00 C ATOM 172 CG2 VAL A 12 17.585 -13.611 0.535 1.00 0.00 C ATOM 0 H VAL A 12 15.745 -12.900 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 12 14.208 -13.916 0.981 1.00 0.00 H new ATOM 0 HB VAL A 12 16.427 -13.401 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.093 -15.761 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.327 -15.581 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 12 16.083 -15.926 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.460 -13.998 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 12 17.505 -14.089 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.688 -12.534 0.404 1.00 0.00 H new ATOM 182 N LYS A 13 15.697 -11.049 0.288 1.00 0.00 N ATOM 183 CA LYS A 13 15.636 -9.609 0.508 1.00 0.00 C ATOM 184 C LYS A 13 15.825 -9.275 1.984 1.00 0.00 C ATOM 185 O LYS A 13 15.257 -8.305 2.489 1.00 0.00 O ATOM 186 CB LYS A 13 14.298 -9.053 0.015 1.00 0.00 C ATOM 187 CG LYS A 13 14.073 -9.241 -1.476 1.00 0.00 C ATOM 188 CD LYS A 13 12.824 -8.515 -1.947 1.00 0.00 C ATOM 189 CE LYS A 13 11.560 -9.228 -1.492 1.00 0.00 C ATOM 190 NZ LYS A 13 10.349 -8.383 -1.681 1.00 0.00 N ATOM 0 H LYS A 13 16.378 -11.340 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 13 16.445 -9.146 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.489 -9.539 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.247 -7.990 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.939 -8.871 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.984 -10.304 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.827 -7.496 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.831 -8.444 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.446 -10.157 -2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.654 -9.498 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.508 -8.904 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.447 -7.508 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.245 -8.146 -2.688 1.00 0.00 H new ATOM 204 N LEU A 14 16.626 -10.081 2.670 1.00 0.00 N ATOM 205 CA LEU A 14 16.891 -9.870 4.089 1.00 0.00 C ATOM 206 C LEU A 14 17.334 -8.435 4.353 1.00 0.00 C ATOM 207 O LEU A 14 16.669 -7.691 5.073 1.00 0.00 O ATOM 208 CB LEU A 14 17.964 -10.845 4.579 1.00 0.00 C ATOM 209 CG LEU A 14 17.520 -11.855 5.638 1.00 0.00 C ATOM 210 CD1 LEU A 14 17.237 -11.154 6.958 1.00 0.00 C ATOM 211 CD2 LEU A 14 16.293 -12.620 5.164 1.00 0.00 C ATOM 0 H LEU A 14 17.104 -10.887 2.267 1.00 0.00 H new ATOM 0 HA LEU A 14 15.966 -10.052 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.347 -11.395 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.795 -10.267 4.983 1.00 0.00 H new ATOM 0 HG LEU A 14 18.329 -12.568 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.922 -11.888 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.141 -10.652 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.445 -10.418 6.817 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.991 -13.334 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 14 15.478 -11.921 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.530 -13.154 4.244 1.00 0.00 H new ATOM 223 N ALA A 15 18.462 -8.051 3.763 1.00 0.00 N ATOM 224 CA ALA A 15 18.991 -6.703 3.930 1.00 0.00 C ATOM 225 C ALA A 15 19.333 -6.425 5.390 1.00 0.00 C ATOM 226 O ALA A 15 19.341 -5.275 5.826 1.00 0.00 O ATOM 227 CB ALA A 15 17.994 -5.676 3.415 1.00 0.00 C ATOM 0 H ALA A 15 19.027 -8.655 3.165 1.00 0.00 H new ATOM 0 HA ALA A 15 19.909 -6.625 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.403 -4.674 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.802 -5.854 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.061 -5.763 3.972 1.00 0.00 H new ATOM 233 N GLU A 16 19.614 -7.487 6.140 1.00 0.00 N ATOM 234 CA GLU A 16 19.955 -7.355 7.551 1.00 0.00 C ATOM 235 C GLU A 16 21.402 -6.902 7.722 1.00 0.00 C ATOM 236 O GLU A 16 21.756 -6.286 8.726 1.00 0.00 O ATOM 237 CB GLU A 16 19.736 -8.684 8.278 1.00 0.00 C ATOM 238 CG GLU A 16 20.486 -9.849 7.655 1.00 0.00 C ATOM 239 CD GLU A 16 20.806 -10.940 8.658 1.00 0.00 C ATOM 240 OE1 GLU A 16 21.398 -10.625 9.711 1.00 0.00 O ATOM 241 OE2 GLU A 16 20.463 -12.111 8.389 1.00 0.00 O ATOM 0 H GLU A 16 19.612 -8.446 5.794 1.00 0.00 H new ATOM 0 HA GLU A 16 19.302 -6.598 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.048 -8.576 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.670 -8.912 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.889 -10.269 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 16 21.413 -9.484 7.212 1.00 0.00 H new ATOM 248 N GLU A 17 22.234 -7.214 6.733 1.00 0.00 N ATOM 249 CA GLU A 17 23.643 -6.840 6.774 1.00 0.00 C ATOM 250 C GLU A 17 23.803 -5.323 6.814 1.00 0.00 C ATOM 251 O GLU A 17 24.799 -4.808 7.319 1.00 0.00 O ATOM 252 CB GLU A 17 24.380 -7.410 5.560 1.00 0.00 C ATOM 253 CG GLU A 17 25.884 -7.507 5.752 1.00 0.00 C ATOM 254 CD GLU A 17 26.312 -8.836 6.343 1.00 0.00 C ATOM 255 OE1 GLU A 17 25.838 -9.176 7.447 1.00 0.00 O ATOM 256 OE2 GLU A 17 27.122 -9.537 5.700 1.00 0.00 O ATOM 0 H GLU A 17 21.957 -7.724 5.894 1.00 0.00 H new ATOM 0 HA GLU A 17 24.077 -7.257 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.986 -8.402 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.173 -6.784 4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.379 -7.364 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 17 26.216 -6.700 6.405 1.00 0.00 H new ATOM 263 N GLN A 18 22.814 -4.616 6.278 1.00 0.00 N ATOM 264 CA GLN A 18 22.845 -3.158 6.251 1.00 0.00 C ATOM 265 C GLN A 18 22.808 -2.587 7.665 1.00 0.00 C ATOM 266 O GLN A 18 23.348 -1.512 7.924 1.00 0.00 O ATOM 267 CB GLN A 18 21.667 -2.616 5.439 1.00 0.00 C ATOM 268 CG GLN A 18 21.939 -2.548 3.945 1.00 0.00 C ATOM 269 CD GLN A 18 22.812 -1.369 3.563 1.00 0.00 C ATOM 270 OE1 GLN A 18 23.908 -1.540 3.028 1.00 0.00 O ATOM 271 NE2 GLN A 18 22.330 -0.162 3.837 1.00 0.00 N ATOM 0 H GLN A 18 21.982 -5.028 5.857 1.00 0.00 H new ATOM 0 HA GLN A 18 23.777 -2.848 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.795 -3.247 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.416 -1.619 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 18 22.422 -3.471 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.992 -2.482 3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.417 -0.066 4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.873 0.669 3.603 1.00 0.00 H new ATOM 280 N ALA A 19 22.167 -3.313 8.575 1.00 0.00 N ATOM 281 CA ALA A 19 22.062 -2.880 9.962 1.00 0.00 C ATOM 282 C ALA A 19 23.361 -3.135 10.718 1.00 0.00 C ATOM 283 O ALA A 19 23.922 -2.229 11.333 1.00 0.00 O ATOM 284 CB ALA A 19 20.902 -3.585 10.649 1.00 0.00 C ATOM 0 H ALA A 19 21.713 -4.204 8.376 1.00 0.00 H new ATOM 0 HA ALA A 19 21.875 -1.806 9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.836 -3.252 11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.973 -3.347 10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.065 -4.662 10.624 1.00 0.00 H new ATOM 290 N VAL A 20 23.835 -4.376 10.667 1.00 0.00 N ATOM 291 CA VAL A 20 25.070 -4.752 11.347 1.00 0.00 C ATOM 292 C VAL A 20 26.263 -3.991 10.779 1.00 0.00 C ATOM 293 O VAL A 20 27.197 -3.648 11.505 1.00 0.00 O ATOM 294 CB VAL A 20 25.337 -6.264 11.231 1.00 0.00 C ATOM 295 CG1 VAL A 20 24.227 -7.056 11.906 1.00 0.00 C ATOM 296 CG2 VAL A 20 25.480 -6.669 9.771 1.00 0.00 C ATOM 0 H VAL A 20 23.383 -5.138 10.162 1.00 0.00 H new ATOM 0 HA VAL A 20 24.944 -4.493 12.398 1.00 0.00 H new ATOM 0 HB VAL A 20 26.274 -6.490 11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 20 24.433 -8.122 11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.177 -6.786 12.961 1.00 0.00 H new ATOM 0 HG13 VAL A 20 23.275 -6.828 11.428 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.668 -7.741 9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 20 24.561 -6.430 9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.313 -6.127 9.323 1.00 0.00 H new ATOM 306 N LYS A 21 26.225 -3.729 9.477 1.00 0.00 N ATOM 307 CA LYS A 21 27.302 -3.006 8.811 1.00 0.00 C ATOM 308 C LYS A 21 27.273 -1.526 9.178 1.00 0.00 C ATOM 309 O LYS A 21 28.318 -0.900 9.347 1.00 0.00 O ATOM 310 CB LYS A 21 27.189 -3.168 7.293 1.00 0.00 C ATOM 311 CG LYS A 21 28.403 -2.660 6.535 1.00 0.00 C ATOM 312 CD LYS A 21 28.134 -2.577 5.042 1.00 0.00 C ATOM 313 CE LYS A 21 27.248 -1.388 4.701 1.00 0.00 C ATOM 314 NZ LYS A 21 28.022 -0.117 4.649 1.00 0.00 N ATOM 0 H LYS A 21 25.460 -4.007 8.862 1.00 0.00 H new ATOM 0 HA LYS A 21 28.250 -3.426 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 27.040 -4.222 7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 21 26.304 -2.635 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 21 28.682 -1.675 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 21 29.250 -3.322 6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 21 29.079 -2.494 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 21 27.656 -3.497 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 26.765 -1.559 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 21 26.455 -1.301 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.383 0.669 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 28.462 0.060 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 28.762 -0.191 3.922 1.00 0.00 H new ATOM 328 N GLU A 22 26.070 -0.975 9.302 1.00 0.00 N ATOM 329 CA GLU A 22 25.907 0.432 9.650 1.00 0.00 C ATOM 330 C GLU A 22 26.262 0.674 11.114 1.00 0.00 C ATOM 331 O GLU A 22 27.071 1.547 11.432 1.00 0.00 O ATOM 332 CB GLU A 22 24.470 0.884 9.381 1.00 0.00 C ATOM 333 CG GLU A 22 24.246 1.388 7.965 1.00 0.00 C ATOM 334 CD GLU A 22 24.688 2.826 7.781 1.00 0.00 C ATOM 335 OE1 GLU A 22 24.238 3.690 8.563 1.00 0.00 O ATOM 336 OE2 GLU A 22 25.484 3.089 6.856 1.00 0.00 O ATOM 0 H GLU A 22 25.195 -1.481 9.167 1.00 0.00 H new ATOM 0 HA GLU A 22 26.586 1.015 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 23.794 0.051 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.209 1.674 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.790 0.752 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.188 1.302 7.716 1.00 0.00 H new ATOM 343 N ILE A 23 25.651 -0.104 12.002 1.00 0.00 N ATOM 344 CA ILE A 23 25.903 0.025 13.432 1.00 0.00 C ATOM 345 C ILE A 23 27.374 -0.211 13.754 1.00 0.00 C ATOM 346 O ILE A 23 27.923 0.395 14.673 1.00 0.00 O ATOM 347 CB ILE A 23 25.045 -0.961 14.246 1.00 0.00 C ATOM 348 CG1 ILE A 23 25.393 -2.403 13.870 1.00 0.00 C ATOM 349 CG2 ILE A 23 23.566 -0.691 14.017 1.00 0.00 C ATOM 350 CD1 ILE A 23 26.439 -3.026 14.768 1.00 0.00 C ATOM 0 H ILE A 23 24.978 -0.830 11.756 1.00 0.00 H new ATOM 0 HA ILE A 23 25.632 1.044 13.710 1.00 0.00 H new ATOM 0 HB ILE A 23 25.260 -0.819 15.305 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.487 -3.008 13.907 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.750 -2.425 12.840 1.00 0.00 H new ATOM 0 HG21 ILE A 23 22.973 -1.396 14.599 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.329 0.326 14.329 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.334 -0.809 12.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.636 -4.048 14.443 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.359 -2.444 14.713 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.077 -3.036 15.796 1.00 0.00 H new ATOM 362 N GLU A 24 28.007 -1.096 12.990 1.00 0.00 N ATOM 363 CA GLU A 24 29.416 -1.412 13.195 1.00 0.00 C ATOM 364 C GLU A 24 30.294 -0.200 12.897 1.00 0.00 C ATOM 365 O GLU A 24 31.247 0.081 13.622 1.00 0.00 O ATOM 366 CB GLU A 24 29.832 -2.588 12.309 1.00 0.00 C ATOM 367 CG GLU A 24 31.313 -2.917 12.390 1.00 0.00 C ATOM 368 CD GLU A 24 31.606 -4.370 12.069 1.00 0.00 C ATOM 369 OE1 GLU A 24 31.210 -5.246 12.865 1.00 0.00 O ATOM 370 OE2 GLU A 24 32.232 -4.630 11.020 1.00 0.00 O ATOM 0 H GLU A 24 27.567 -1.606 12.224 1.00 0.00 H new ATOM 0 HA GLU A 24 29.552 -1.689 14.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.257 -3.469 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.575 -2.361 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 24 31.862 -2.278 11.698 1.00 0.00 H new ATOM 0 HG3 GLU A 24 31.678 -2.689 13.392 1.00 0.00 H new ATOM 377 N GLU A 25 29.965 0.512 11.824 1.00 0.00 N ATOM 378 CA GLU A 25 30.725 1.693 11.429 1.00 0.00 C ATOM 379 C GLU A 25 30.826 2.686 12.583 1.00 0.00 C ATOM 380 O GLU A 25 31.784 3.453 12.673 1.00 0.00 O ATOM 381 CB GLU A 25 30.072 2.365 10.219 1.00 0.00 C ATOM 382 CG GLU A 25 31.002 3.305 9.470 1.00 0.00 C ATOM 383 CD GLU A 25 30.287 4.096 8.392 1.00 0.00 C ATOM 384 OE1 GLU A 25 29.139 3.737 8.056 1.00 0.00 O ATOM 385 OE2 GLU A 25 30.875 5.074 7.885 1.00 0.00 O ATOM 0 H GLU A 25 29.178 0.292 11.213 1.00 0.00 H new ATOM 0 HA GLU A 25 31.731 1.373 11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 25 29.718 1.595 9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 29.197 2.922 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 25 31.462 3.995 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 25 31.809 2.728 9.018 1.00 0.00 H new ATOM 392 N ALA A 26 29.831 2.664 13.464 1.00 0.00 N ATOM 393 CA ALA A 26 29.809 3.560 14.613 1.00 0.00 C ATOM 394 C ALA A 26 30.983 3.286 15.546 1.00 0.00 C ATOM 395 O ALA A 26 31.666 4.210 15.990 1.00 0.00 O ATOM 396 CB ALA A 26 28.492 3.423 15.364 1.00 0.00 C ATOM 0 H ALA A 26 29.030 2.035 13.404 1.00 0.00 H new ATOM 0 HA ALA A 26 29.901 4.582 14.247 1.00 0.00 H new ATOM 0 HB1 ALA A 26 28.489 4.098 16.220 1.00 0.00 H new ATOM 0 HB2 ALA A 26 27.666 3.676 14.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 28.376 2.396 15.711 1.00 0.00 H new ATOM 402 N LYS A 27 31.213 2.011 15.842 1.00 0.00 N ATOM 403 CA LYS A 27 32.306 1.615 16.722 1.00 0.00 C ATOM 404 C LYS A 27 33.657 1.900 16.074 1.00 0.00 C ATOM 405 O LYS A 27 34.657 2.099 16.764 1.00 0.00 O ATOM 406 CB LYS A 27 32.197 0.127 17.065 1.00 0.00 C ATOM 407 CG LYS A 27 30.885 -0.248 17.732 1.00 0.00 C ATOM 408 CD LYS A 27 30.632 -1.745 17.660 1.00 0.00 C ATOM 409 CE LYS A 27 29.762 -2.219 18.814 1.00 0.00 C ATOM 410 NZ LYS A 27 29.356 -3.643 18.654 1.00 0.00 N ATOM 0 H LYS A 27 30.657 1.234 15.485 1.00 0.00 H new ATOM 0 HA LYS A 27 32.232 2.200 17.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.311 -0.457 16.152 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.021 -0.147 17.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.902 0.070 18.775 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.065 0.284 17.250 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.148 -1.988 16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.583 -2.277 17.677 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.305 -2.099 19.751 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.872 -1.593 18.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.764 -3.928 19.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.816 -3.753 17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.204 -4.244 18.617 1.00 0.00 H new ATOM 424 N ASN A 28 33.679 1.920 14.746 1.00 0.00 N ATOM 425 CA ASN A 28 34.908 2.182 14.005 1.00 0.00 C ATOM 426 C ASN A 28 35.403 3.603 14.258 1.00 0.00 C ATOM 427 O ASN A 28 36.597 3.884 14.154 1.00 0.00 O ATOM 428 CB ASN A 28 34.682 1.967 12.508 1.00 0.00 C ATOM 429 CG ASN A 28 35.034 0.560 12.066 1.00 0.00 C ATOM 430 OD1 ASN A 28 35.694 0.364 11.045 1.00 0.00 O ATOM 431 ND2 ASN A 28 34.593 -0.429 12.835 1.00 0.00 N ATOM 0 H ASN A 28 32.860 1.758 14.160 1.00 0.00 H new ATOM 0 HA ASN A 28 35.669 1.484 14.354 1.00 0.00 H new ATOM 0 HB2 ASN A 28 33.638 2.170 12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 28 35.283 2.682 11.946 1.00 0.00 H new ATOM 0 HD21 ASN A 28 34.798 -1.397 12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 28 34.049 -0.220 13.672 1.00 0.00 H new ATOM 438 N ARG A 29 34.476 4.496 14.590 1.00 0.00 N ATOM 439 CA ARG A 29 34.817 5.888 14.856 1.00 0.00 C ATOM 440 C ARG A 29 35.908 5.987 15.918 1.00 0.00 C ATOM 441 O ARG A 29 36.711 6.919 15.912 1.00 0.00 O ATOM 442 CB ARG A 29 33.577 6.661 15.310 1.00 0.00 C ATOM 443 CG ARG A 29 32.420 6.587 14.327 1.00 0.00 C ATOM 444 CD ARG A 29 31.165 7.231 14.895 1.00 0.00 C ATOM 445 NE ARG A 29 30.249 7.667 13.844 1.00 0.00 N ATOM 446 CZ ARG A 29 30.389 8.805 13.174 1.00 0.00 C ATOM 447 NH1 ARG A 29 31.401 9.618 13.445 1.00 0.00 N ATOM 448 NH2 ARG A 29 29.514 9.133 12.232 1.00 0.00 N ATOM 0 H ARG A 29 33.483 4.280 14.681 1.00 0.00 H new ATOM 0 HA ARG A 29 35.193 6.327 13.932 1.00 0.00 H new ATOM 0 HB2 ARG A 29 33.249 6.272 16.274 1.00 0.00 H new ATOM 0 HB3 ARG A 29 33.846 7.706 15.463 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.698 7.085 13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.216 5.545 14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 29 30.657 6.521 15.547 1.00 0.00 H new ATOM 0 HD3 ARG A 29 31.443 8.086 15.511 1.00 0.00 H new ATOM 0 HE ARG A 29 29.459 7.065 13.612 1.00 0.00 H new ATOM 0 HH11 ARG A 29 32.075 9.370 14.170 1.00 0.00 H new ATOM 0 HH12 ARG A 29 31.506 10.491 12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 29 28.733 8.511 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 29 29.622 10.007 11.718 1.00 0.00 H new ATOM 462 N ALA A 30 35.929 5.020 16.830 1.00 0.00 N ATOM 463 CA ALA A 30 36.921 4.997 17.897 1.00 0.00 C ATOM 464 C ALA A 30 38.293 4.599 17.362 1.00 0.00 C ATOM 465 O ALA A 30 39.321 5.025 17.888 1.00 0.00 O ATOM 466 CB ALA A 30 36.487 4.045 19.002 1.00 0.00 C ATOM 0 H ALA A 30 35.270 4.242 16.851 1.00 0.00 H new ATOM 0 HA ALA A 30 36.998 6.003 18.309 1.00 0.00 H new ATOM 0 HB1 ALA A 30 37.238 4.038 19.792 1.00 0.00 H new ATOM 0 HB2 ALA A 30 35.532 4.374 19.412 1.00 0.00 H new ATOM 0 HB3 ALA A 30 36.380 3.040 18.595 1.00 0.00 H new ATOM 472 N GLU A 31 38.300 3.780 16.315 1.00 0.00 N ATOM 473 CA GLU A 31 39.547 3.323 15.712 1.00 0.00 C ATOM 474 C GLU A 31 40.227 4.455 14.947 1.00 0.00 C ATOM 475 O GLU A 31 41.446 4.458 14.777 1.00 0.00 O ATOM 476 CB GLU A 31 39.283 2.144 14.773 1.00 0.00 C ATOM 477 CG GLU A 31 38.947 0.852 15.498 1.00 0.00 C ATOM 478 CD GLU A 31 39.333 -0.380 14.704 1.00 0.00 C ATOM 479 OE1 GLU A 31 40.544 -0.668 14.605 1.00 0.00 O ATOM 480 OE2 GLU A 31 38.423 -1.057 14.180 1.00 0.00 O ATOM 0 H GLU A 31 37.457 3.420 15.867 1.00 0.00 H new ATOM 0 HA GLU A 31 40.211 2.998 16.513 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.461 2.400 14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 31 40.163 1.983 14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 39.460 0.835 16.460 1.00 0.00 H new ATOM 0 HG3 GLU A 31 37.878 0.825 15.707 1.00 0.00 H new ATOM 487 N GLN A 32 39.429 5.414 14.487 1.00 0.00 N ATOM 488 CA GLN A 32 39.954 6.550 13.739 1.00 0.00 C ATOM 489 C GLN A 32 40.990 7.310 14.559 1.00 0.00 C ATOM 490 O GLN A 32 41.871 7.970 14.007 1.00 0.00 O ATOM 491 CB GLN A 32 38.817 7.490 13.335 1.00 0.00 C ATOM 492 CG GLN A 32 37.746 6.821 12.487 1.00 0.00 C ATOM 493 CD GLN A 32 36.751 7.811 11.915 1.00 0.00 C ATOM 494 OE1 GLN A 32 36.547 7.873 10.703 1.00 0.00 O ATOM 495 NE2 GLN A 32 36.126 8.593 12.787 1.00 0.00 N ATOM 0 H GLN A 32 38.418 5.427 14.619 1.00 0.00 H new ATOM 0 HA GLN A 32 40.438 6.168 12.840 1.00 0.00 H new ATOM 0 HB2 GLN A 32 38.355 7.896 14.235 1.00 0.00 H new ATOM 0 HB3 GLN A 32 39.232 8.333 12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 32 38.222 6.277 11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 32 37.215 6.087 13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 32 36.326 8.507 13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 32 35.446 9.279 12.460 1.00 0.00 H new ATOM 504 N ILE A 33 40.879 7.214 15.880 1.00 0.00 N ATOM 505 CA ILE A 33 41.808 7.892 16.776 1.00 0.00 C ATOM 506 C ILE A 33 43.031 7.026 17.058 1.00 0.00 C ATOM 507 O ILE A 33 44.169 7.478 16.931 1.00 0.00 O ATOM 508 CB ILE A 33 41.134 8.260 18.111 1.00 0.00 C ATOM 509 CG1 ILE A 33 39.907 9.139 17.862 1.00 0.00 C ATOM 510 CG2 ILE A 33 42.123 8.968 19.025 1.00 0.00 C ATOM 511 CD1 ILE A 33 38.637 8.351 17.628 1.00 0.00 C ATOM 0 H ILE A 33 40.155 6.673 16.353 1.00 0.00 H new ATOM 0 HA ILE A 33 42.122 8.806 16.273 1.00 0.00 H new ATOM 0 HB ILE A 33 40.807 7.343 18.602 1.00 0.00 H new ATOM 0 HG12 ILE A 33 39.763 9.799 18.718 1.00 0.00 H new ATOM 0 HG13 ILE A 33 40.095 9.775 16.997 1.00 0.00 H new ATOM 0 HG21 ILE A 33 41.632 9.222 19.965 1.00 0.00 H new ATOM 0 HG22 ILE A 33 42.970 8.311 19.224 1.00 0.00 H new ATOM 0 HG23 ILE A 33 42.476 9.879 18.542 1.00 0.00 H new ATOM 0 HD11 ILE A 33 37.808 9.038 17.459 1.00 0.00 H new ATOM 0 HD12 ILE A 33 38.762 7.711 16.755 1.00 0.00 H new ATOM 0 HD13 ILE A 33 38.425 7.735 18.502 1.00 0.00 H new ATOM 523 N LYS A 34 42.789 5.777 17.440 1.00 0.00 N ATOM 524 CA LYS A 34 43.869 4.844 17.738 1.00 0.00 C ATOM 525 C LYS A 34 44.723 4.587 16.500 1.00 0.00 C ATOM 526 O LYS A 34 45.900 4.243 16.607 1.00 0.00 O ATOM 527 CB LYS A 34 43.301 3.523 18.262 1.00 0.00 C ATOM 528 CG LYS A 34 42.225 3.701 19.319 1.00 0.00 C ATOM 529 CD LYS A 34 41.871 2.380 19.982 1.00 0.00 C ATOM 530 CE LYS A 34 40.903 1.572 19.131 1.00 0.00 C ATOM 531 NZ LYS A 34 39.512 2.093 19.228 1.00 0.00 N ATOM 0 H LYS A 34 41.853 5.387 17.551 1.00 0.00 H new ATOM 0 HA LYS A 34 44.499 5.291 18.507 1.00 0.00 H new ATOM 0 HB2 LYS A 34 42.888 2.958 17.427 1.00 0.00 H new ATOM 0 HB3 LYS A 34 44.113 2.928 18.679 1.00 0.00 H new ATOM 0 HG2 LYS A 34 42.569 4.408 20.074 1.00 0.00 H new ATOM 0 HG3 LYS A 34 41.333 4.131 18.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 42.779 1.801 20.151 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.427 2.569 20.959 1.00 0.00 H new ATOM 0 HE2 LYS A 34 41.228 1.595 18.091 1.00 0.00 H new ATOM 0 HE3 LYS A 34 40.923 0.529 19.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.041 2.000 18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 38.986 1.549 19.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.535 3.095 19.505 1.00 0.00 H new ATOM 545 N ALA A 35 44.123 4.759 15.327 1.00 0.00 N ATOM 546 CA ALA A 35 44.829 4.549 14.070 1.00 0.00 C ATOM 547 C ALA A 35 46.104 5.384 14.010 1.00 0.00 C ATOM 548 O ALA A 35 47.096 4.976 13.406 1.00 0.00 O ATOM 549 CB ALA A 35 43.923 4.881 12.893 1.00 0.00 C ATOM 0 H ALA A 35 43.149 5.043 15.221 1.00 0.00 H new ATOM 0 HA ALA A 35 45.111 3.498 14.012 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.464 4.719 11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.043 4.238 12.918 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.612 5.924 12.956 1.00 0.00 H new ATOM 555 N GLU A 36 46.070 6.554 14.640 1.00 0.00 N ATOM 556 CA GLU A 36 47.223 7.446 14.657 1.00 0.00 C ATOM 557 C GLU A 36 48.231 7.013 15.718 1.00 0.00 C ATOM 558 O GLU A 36 49.441 7.077 15.503 1.00 0.00 O ATOM 559 CB GLU A 36 46.778 8.886 14.918 1.00 0.00 C ATOM 560 CG GLU A 36 45.762 9.401 13.912 1.00 0.00 C ATOM 561 CD GLU A 36 46.387 9.738 12.572 1.00 0.00 C ATOM 562 OE1 GLU A 36 47.238 10.650 12.526 1.00 0.00 O ATOM 563 OE2 GLU A 36 46.024 9.087 11.569 1.00 0.00 O ATOM 0 H GLU A 36 45.257 6.906 15.145 1.00 0.00 H new ATOM 0 HA GLU A 36 47.705 7.394 13.681 1.00 0.00 H new ATOM 0 HB2 GLU A 36 46.350 8.949 15.919 1.00 0.00 H new ATOM 0 HB3 GLU A 36 47.653 9.536 14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 36 44.986 8.649 13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 36 45.275 10.289 14.315 1.00 0.00 H new ATOM 570 N ALA A 37 47.722 6.573 16.864 1.00 0.00 N ATOM 571 CA ALA A 37 48.576 6.129 17.958 1.00 0.00 C ATOM 572 C ALA A 37 49.593 5.099 17.478 1.00 0.00 C ATOM 573 O ALA A 37 50.730 5.069 17.950 1.00 0.00 O ATOM 574 CB ALA A 37 47.732 5.553 19.086 1.00 0.00 C ATOM 0 H ALA A 37 46.722 6.515 17.059 1.00 0.00 H new ATOM 0 HA ALA A 37 49.123 6.994 18.333 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.383 5.225 19.897 1.00 0.00 H new ATOM 0 HB2 ALA A 37 47.049 6.317 19.456 1.00 0.00 H new ATOM 0 HB3 ALA A 37 47.159 4.703 18.714 1.00 0.00 H new ATOM 580 N ILE A 38 49.177 4.258 16.538 1.00 0.00 N ATOM 581 CA ILE A 38 50.053 3.227 15.994 1.00 0.00 C ATOM 582 C ILE A 38 51.215 3.844 15.222 1.00 0.00 C ATOM 583 O ILE A 38 52.362 3.793 15.664 1.00 0.00 O ATOM 584 CB ILE A 38 49.285 2.269 15.064 1.00 0.00 C ATOM 585 CG1 ILE A 38 48.084 1.666 15.795 1.00 0.00 C ATOM 586 CG2 ILE A 38 50.208 1.172 14.555 1.00 0.00 C ATOM 587 CD1 ILE A 38 46.780 1.822 15.046 1.00 0.00 C ATOM 0 H ILE A 38 48.239 4.270 16.137 1.00 0.00 H new ATOM 0 HA ILE A 38 50.442 2.663 16.842 1.00 0.00 H new ATOM 0 HB ILE A 38 48.918 2.835 14.208 1.00 0.00 H new ATOM 0 HG12 ILE A 38 48.269 0.606 15.968 1.00 0.00 H new ATOM 0 HG13 ILE A 38 47.990 2.137 16.773 1.00 0.00 H new ATOM 0 HG21 ILE A 38 49.651 0.503 13.899 1.00 0.00 H new ATOM 0 HG22 ILE A 38 51.033 1.619 14.001 1.00 0.00 H new ATOM 0 HG23 ILE A 38 50.602 0.607 15.400 1.00 0.00 H new ATOM 0 HD11 ILE A 38 45.973 1.371 15.623 1.00 0.00 H new ATOM 0 HD12 ILE A 38 46.571 2.881 14.896 1.00 0.00 H new ATOM 0 HD13 ILE A 38 46.855 1.326 14.078 1.00 0.00 H new ATOM 599 N GLU A 39 50.908 4.429 14.069 1.00 0.00 N ATOM 600 CA GLU A 39 51.927 5.057 13.236 1.00 0.00 C ATOM 601 C GLU A 39 52.761 6.044 14.049 1.00 0.00 C ATOM 602 O GLU A 39 53.933 6.272 13.754 1.00 0.00 O ATOM 603 CB GLU A 39 51.278 5.776 12.051 1.00 0.00 C ATOM 604 CG GLU A 39 50.714 4.832 11.002 1.00 0.00 C ATOM 605 CD GLU A 39 50.306 5.551 9.731 1.00 0.00 C ATOM 606 OE1 GLU A 39 50.102 6.782 9.785 1.00 0.00 O ATOM 607 OE2 GLU A 39 50.189 4.883 8.682 1.00 0.00 O ATOM 0 H GLU A 39 49.962 4.481 13.690 1.00 0.00 H new ATOM 0 HA GLU A 39 52.585 4.274 12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 39 50.477 6.417 12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 39 52.016 6.427 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 39 51.459 4.073 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 49.850 4.311 11.414 1.00 0.00 H new ATOM 614 N GLU A 40 52.145 6.627 15.073 1.00 0.00 N ATOM 615 CA GLU A 40 52.830 7.590 15.927 1.00 0.00 C ATOM 616 C GLU A 40 53.773 6.883 16.897 1.00 0.00 C ATOM 617 O GLU A 40 54.865 7.372 17.184 1.00 0.00 O ATOM 618 CB GLU A 40 51.814 8.428 16.706 1.00 0.00 C ATOM 619 CG GLU A 40 51.079 9.445 15.849 1.00 0.00 C ATOM 620 CD GLU A 40 51.745 10.807 15.859 1.00 0.00 C ATOM 621 OE1 GLU A 40 52.205 11.235 16.938 1.00 0.00 O ATOM 622 OE2 GLU A 40 51.807 11.444 14.786 1.00 0.00 O ATOM 0 H GLU A 40 51.174 6.449 15.331 1.00 0.00 H new ATOM 0 HA GLU A 40 53.420 8.248 15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 40 51.086 7.762 17.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 52.328 8.950 17.513 1.00 0.00 H new ATOM 0 HG2 GLU A 40 51.025 9.079 14.824 1.00 0.00 H new ATOM 0 HG3 GLU A 40 50.054 9.543 16.207 1.00 0.00 H new ATOM 629 N ALA A 41 53.341 5.731 17.399 1.00 0.00 N ATOM 630 CA ALA A 41 54.146 4.956 18.335 1.00 0.00 C ATOM 631 C ALA A 41 55.397 4.406 17.659 1.00 0.00 C ATOM 632 O ALA A 41 56.398 4.123 18.318 1.00 0.00 O ATOM 633 CB ALA A 41 53.322 3.822 18.926 1.00 0.00 C ATOM 0 H ALA A 41 52.438 5.314 17.173 1.00 0.00 H new ATOM 0 HA ALA A 41 54.462 5.620 19.140 1.00 0.00 H new ATOM 0 HB1 ALA A 41 53.936 3.251 19.623 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.461 4.234 19.453 1.00 0.00 H new ATOM 0 HB3 ALA A 41 52.978 3.167 18.126 1.00 0.00 H new ATOM 639 N LYS A 42 55.334 4.256 16.340 1.00 0.00 N ATOM 640 CA LYS A 42 56.462 3.741 15.574 1.00 0.00 C ATOM 641 C LYS A 42 57.735 4.522 15.886 1.00 0.00 C ATOM 642 O LYS A 42 58.839 3.981 15.822 1.00 0.00 O ATOM 643 CB LYS A 42 56.162 3.813 14.075 1.00 0.00 C ATOM 644 CG LYS A 42 56.865 2.740 13.261 1.00 0.00 C ATOM 645 CD LYS A 42 56.068 1.447 13.237 1.00 0.00 C ATOM 646 CE LYS A 42 54.856 1.556 12.325 1.00 0.00 C ATOM 647 NZ LYS A 42 55.243 1.573 10.887 1.00 0.00 N ATOM 0 H LYS A 42 54.513 4.484 15.779 1.00 0.00 H new ATOM 0 HA LYS A 42 56.617 2.700 15.859 1.00 0.00 H new ATOM 0 HB2 LYS A 42 55.086 3.725 13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 42 56.458 4.793 13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.015 3.095 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.853 2.552 13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.707 0.631 12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 55.743 1.200 14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 42 54.185 0.717 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 42 54.303 2.465 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.401 1.410 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.657 2.497 10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.942 0.824 10.707 1.00 0.00 H new ATOM 661 N LYS A 43 57.573 5.796 16.226 1.00 0.00 N ATOM 662 CA LYS A 43 58.708 6.651 16.552 1.00 0.00 C ATOM 663 C LYS A 43 59.450 6.128 17.778 1.00 0.00 C ATOM 664 O LYS A 43 60.657 5.888 17.731 1.00 0.00 O ATOM 665 CB LYS A 43 58.237 8.086 16.802 1.00 0.00 C ATOM 666 CG LYS A 43 59.346 9.118 16.689 1.00 0.00 C ATOM 667 CD LYS A 43 59.737 9.361 15.241 1.00 0.00 C ATOM 668 CE LYS A 43 61.051 10.120 15.139 1.00 0.00 C ATOM 669 NZ LYS A 43 61.441 10.364 13.723 1.00 0.00 N ATOM 0 H LYS A 43 56.666 6.259 16.283 1.00 0.00 H new ATOM 0 HA LYS A 43 59.392 6.642 15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 43 57.450 8.331 16.089 1.00 0.00 H new ATOM 0 HB3 LYS A 43 57.796 8.147 17.797 1.00 0.00 H new ATOM 0 HG2 LYS A 43 59.020 10.055 17.141 1.00 0.00 H new ATOM 0 HG3 LYS A 43 60.217 8.780 17.250 1.00 0.00 H new ATOM 0 HD2 LYS A 43 59.825 8.407 14.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 58.950 9.925 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.962 11.073 15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.837 9.555 15.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.341 10.884 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.551 9.454 13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 60.703 10.925 13.251 1.00 0.00 H new ATOM 683 N LEU A 44 58.720 5.951 18.874 1.00 0.00 N ATOM 684 CA LEU A 44 59.309 5.454 20.113 1.00 0.00 C ATOM 685 C LEU A 44 58.232 5.193 21.161 1.00 0.00 C ATOM 686 O LEU A 44 57.338 6.015 21.366 1.00 0.00 O ATOM 687 CB LEU A 44 60.330 6.456 20.654 1.00 0.00 C ATOM 688 CG LEU A 44 59.758 7.654 21.412 1.00 0.00 C ATOM 689 CD1 LEU A 44 60.874 8.454 22.067 1.00 0.00 C ATOM 690 CD2 LEU A 44 58.944 8.538 20.478 1.00 0.00 C ATOM 0 H LEU A 44 57.720 6.144 18.930 1.00 0.00 H new ATOM 0 HA LEU A 44 59.814 4.513 19.894 1.00 0.00 H new ATOM 0 HB2 LEU A 44 61.014 5.925 21.316 1.00 0.00 H new ATOM 0 HB3 LEU A 44 60.921 6.829 19.818 1.00 0.00 H new ATOM 0 HG LEU A 44 59.097 7.282 22.195 1.00 0.00 H new ATOM 0 HD11 LEU A 44 60.448 9.303 22.602 1.00 0.00 H new ATOM 0 HD12 LEU A 44 61.415 7.818 22.768 1.00 0.00 H new ATOM 0 HD13 LEU A 44 61.560 8.815 21.301 1.00 0.00 H new ATOM 0 HD21 LEU A 44 58.545 9.386 21.035 1.00 0.00 H new ATOM 0 HD22 LEU A 44 59.582 8.901 19.673 1.00 0.00 H new ATOM 0 HD23 LEU A 44 58.121 7.961 20.056 1.00 0.00 H new ATOM 702 N ILE A 45 58.324 4.044 21.823 1.00 0.00 N ATOM 703 CA ILE A 45 57.359 3.677 22.852 1.00 0.00 C ATOM 704 C ILE A 45 58.010 3.649 24.231 1.00 0.00 C ATOM 705 O ILE A 45 57.766 4.524 25.061 1.00 0.00 O ATOM 706 CB ILE A 45 56.728 2.301 22.567 1.00 0.00 C ATOM 707 CG1 ILE A 45 56.038 2.306 21.201 1.00 0.00 C ATOM 708 CG2 ILE A 45 55.741 1.933 23.664 1.00 0.00 C ATOM 709 CD1 ILE A 45 56.935 1.858 20.069 1.00 0.00 C ATOM 0 H ILE A 45 59.056 3.352 21.665 1.00 0.00 H new ATOM 0 HA ILE A 45 56.577 4.436 22.837 1.00 0.00 H new ATOM 0 HB ILE A 45 57.519 1.551 22.551 1.00 0.00 H new ATOM 0 HG12 ILE A 45 55.165 1.654 21.242 1.00 0.00 H new ATOM 0 HG13 ILE A 45 55.675 3.312 20.990 1.00 0.00 H new ATOM 0 HG21 ILE A 45 55.304 0.958 23.448 1.00 0.00 H new ATOM 0 HG22 ILE A 45 56.260 1.894 24.622 1.00 0.00 H new ATOM 0 HG23 ILE A 45 54.951 2.683 23.709 1.00 0.00 H new ATOM 0 HD11 ILE A 45 56.380 1.887 19.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 57.796 2.524 20.001 1.00 0.00 H new ATOM 0 HD13 ILE A 45 57.277 0.840 20.257 1.00 0.00 H new ATOM 721 N ALA A 46 58.841 2.639 24.467 1.00 0.00 N ATOM 722 CA ALA A 46 59.530 2.499 25.743 1.00 0.00 C ATOM 723 C ALA A 46 61.042 2.595 25.564 1.00 0.00 C ATOM 724 O ALA A 46 61.780 2.789 26.531 1.00 0.00 O ATOM 725 CB ALA A 46 59.158 1.179 26.402 1.00 0.00 C ATOM 0 H ALA A 46 59.053 1.906 23.791 1.00 0.00 H new ATOM 0 HA ALA A 46 59.214 3.317 26.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 59.680 1.088 27.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.082 1.149 26.574 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.445 0.354 25.751 1.00 0.00 H new ATOM 731 N CYS A 47 61.496 2.458 24.323 1.00 0.00 N ATOM 732 CA CYS A 47 62.920 2.528 24.018 1.00 0.00 C ATOM 733 C CYS A 47 63.201 3.608 22.978 1.00 0.00 C ATOM 734 O CYS A 47 64.251 4.249 23.003 1.00 0.00 O ATOM 735 CB CYS A 47 63.422 1.174 23.513 1.00 0.00 C ATOM 736 SG CYS A 47 63.314 -0.155 24.734 1.00 0.00 S ATOM 0 H CYS A 47 60.898 2.298 23.512 1.00 0.00 H new ATOM 0 HA CYS A 47 63.450 2.785 24.935 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.847 0.891 22.632 1.00 0.00 H new ATOM 0 HB3 CYS A 47 64.460 1.278 23.196 1.00 0.00 H new ATOM 0 HG CYS A 47 63.759 -1.260 24.213 1.00 0.00 H new TER 742 CYS A 47