USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 292 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 GLY N :NH3+ -146:sc= 0.0327 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 64:sc= 1.05 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.159) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.8) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 74:sc= 0.859 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.0279 (180deg=-0.164) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -19:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 66.064 54.200 11.526 1.00 0.00 N ATOM 2 CA GLY A 1 65.959 55.382 10.655 1.00 0.00 C ATOM 3 C GLY A 1 64.783 55.289 9.689 1.00 0.00 C ATOM 4 O GLY A 1 63.970 54.372 9.782 1.00 0.00 O ATOM 0 H1 GLY A 1 66.420 54.488 12.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 65.126 53.763 11.632 1.00 0.00 H new ATOM 0 H3 GLY A 1 66.720 53.514 11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 1 65.850 56.275 11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 66.883 55.496 10.088 1.00 0.00 H new ATOM 10 N ILE A 2 64.705 56.246 8.758 1.00 0.00 N ATOM 11 CA ILE A 2 63.668 56.299 7.741 1.00 0.00 C ATOM 12 C ILE A 2 63.713 55.030 6.883 1.00 0.00 C ATOM 13 O ILE A 2 62.679 54.520 6.461 1.00 0.00 O ATOM 14 CB ILE A 2 63.845 57.596 6.931 1.00 0.00 C ATOM 15 CG1 ILE A 2 62.519 58.185 6.432 1.00 0.00 C ATOM 16 CG2 ILE A 2 64.852 57.444 5.785 1.00 0.00 C ATOM 17 CD1 ILE A 2 61.692 57.254 5.545 1.00 0.00 C ATOM 0 H ILE A 2 65.374 57.013 8.695 1.00 0.00 H new ATOM 0 HA ILE A 2 62.674 56.324 8.188 1.00 0.00 H new ATOM 0 HB ILE A 2 64.261 58.316 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 2 61.917 58.469 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 2 62.731 59.099 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 2 64.937 58.389 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 2 65.825 57.168 6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 2 64.510 56.667 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 2 60.775 57.759 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 2 62.269 56.989 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 2 61.442 56.350 6.100 1.00 0.00 H new ATOM 29 N LEU A 3 64.917 54.497 6.653 1.00 0.00 N ATOM 30 CA LEU A 3 65.120 53.289 5.876 1.00 0.00 C ATOM 31 C LEU A 3 64.622 52.046 6.610 1.00 0.00 C ATOM 32 O LEU A 3 64.323 51.040 5.969 1.00 0.00 O ATOM 33 CB LEU A 3 66.612 53.143 5.572 1.00 0.00 C ATOM 34 CG LEU A 3 67.182 54.301 4.742 1.00 0.00 C ATOM 35 CD1 LEU A 3 68.682 54.078 4.548 1.00 0.00 C ATOM 36 CD2 LEU A 3 66.511 54.400 3.369 1.00 0.00 C ATOM 0 H LEU A 3 65.782 54.903 7.009 1.00 0.00 H new ATOM 0 HA LEU A 3 64.545 53.375 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 3 67.161 53.074 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 3 66.776 52.207 5.037 1.00 0.00 H new ATOM 0 HG LEU A 3 66.991 55.230 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 3 69.098 54.895 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 3 69.174 54.044 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 3 68.845 53.135 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.942 55.232 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 3 66.671 53.473 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 3 65.441 54.566 3.498 1.00 0.00 H new ATOM 48 N ASP A 4 64.541 52.106 7.944 1.00 0.00 N ATOM 49 CA ASP A 4 64.003 51.036 8.759 1.00 0.00 C ATOM 50 C ASP A 4 62.509 51.271 8.922 1.00 0.00 C ATOM 51 O ASP A 4 61.765 50.340 9.222 1.00 0.00 O ATOM 52 CB ASP A 4 64.709 51.025 10.115 1.00 0.00 C ATOM 53 CG ASP A 4 64.264 49.843 10.969 1.00 0.00 C ATOM 54 OD1 ASP A 4 63.616 50.049 11.992 1.00 0.00 O ATOM 55 OD2 ASP A 4 64.634 48.610 10.516 1.00 0.00 O ATOM 0 H ASP A 4 64.854 52.913 8.484 1.00 0.00 H new ATOM 0 HA ASP A 4 64.166 50.067 8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 4 65.788 50.980 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 4 64.499 51.955 10.643 1.00 0.00 H new ATOM 61 N THR A 5 62.073 52.521 8.723 1.00 0.00 N ATOM 62 CA THR A 5 60.670 52.855 8.818 1.00 0.00 C ATOM 63 C THR A 5 59.932 52.275 7.615 1.00 0.00 C ATOM 64 O THR A 5 58.878 51.662 7.766 1.00 0.00 O ATOM 65 CB THR A 5 60.473 54.370 8.934 1.00 0.00 C ATOM 66 OG1 THR A 5 61.226 54.865 10.020 1.00 0.00 O ATOM 67 CG2 THR A 5 58.998 54.703 9.165 1.00 0.00 C ATOM 0 H THR A 5 62.681 53.308 8.496 1.00 0.00 H new ATOM 0 HA THR A 5 60.253 52.416 9.724 1.00 0.00 H new ATOM 0 HB THR A 5 60.805 54.832 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 62.181 54.733 9.843 1.00 0.00 H new ATOM 0 HG21 THR A 5 58.877 55.783 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 5 58.406 54.333 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 5 58.658 54.231 10.087 1.00 0.00 H new ATOM 75 N LEU A 6 60.516 52.447 6.424 1.00 0.00 N ATOM 76 CA LEU A 6 60.039 51.832 5.200 1.00 0.00 C ATOM 77 C LEU A 6 60.131 50.312 5.308 1.00 0.00 C ATOM 78 O LEU A 6 59.228 49.607 4.862 1.00 0.00 O ATOM 79 CB LEU A 6 60.886 52.331 4.026 1.00 0.00 C ATOM 80 CG LEU A 6 60.795 53.848 3.817 1.00 0.00 C ATOM 81 CD1 LEU A 6 61.777 54.257 2.717 1.00 0.00 C ATOM 82 CD2 LEU A 6 59.384 54.279 3.410 1.00 0.00 C ATOM 0 H LEU A 6 61.344 53.027 6.291 1.00 0.00 H new ATOM 0 HA LEU A 6 58.996 52.104 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 6 61.927 52.056 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 6 60.566 51.825 3.115 1.00 0.00 H new ATOM 0 HG LEU A 6 61.040 54.337 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 6 61.720 55.334 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 6 62.790 53.987 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 6 61.521 53.742 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 6 59.360 55.360 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 59.108 53.787 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 6 58.678 53.997 4.191 1.00 0.00 H new ATOM 94 N LYS A 7 61.218 49.811 5.908 1.00 0.00 N ATOM 95 CA LYS A 7 61.439 48.394 6.120 1.00 0.00 C ATOM 96 C LYS A 7 60.312 47.795 6.959 1.00 0.00 C ATOM 97 O LYS A 7 59.768 46.750 6.609 1.00 0.00 O ATOM 98 CB LYS A 7 62.796 48.208 6.802 1.00 0.00 C ATOM 99 CG LYS A 7 63.198 46.736 6.879 1.00 0.00 C ATOM 100 CD LYS A 7 63.409 46.177 5.473 1.00 0.00 C ATOM 101 CE LYS A 7 63.883 44.724 5.549 1.00 0.00 C ATOM 102 NZ LYS A 7 64.099 44.161 4.206 1.00 0.00 N ATOM 0 H LYS A 7 61.975 50.397 6.262 1.00 0.00 H new ATOM 0 HA LYS A 7 61.443 47.871 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 7 63.557 48.764 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 7 62.757 48.627 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 7 64.113 46.631 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 62.425 46.166 7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 7 62.479 46.235 4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 7 64.144 46.780 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 7 64.809 44.671 6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 63.144 44.126 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 64.420 43.175 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 63.208 44.191 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 64.822 44.719 3.708 1.00 0.00 H new ATOM 116 N GLN A 8 59.960 48.467 8.060 1.00 0.00 N ATOM 117 CA GLN A 8 58.889 48.054 8.947 1.00 0.00 C ATOM 118 C GLN A 8 57.565 48.030 8.191 1.00 0.00 C ATOM 119 O GLN A 8 56.819 47.057 8.276 1.00 0.00 O ATOM 120 CB GLN A 8 58.832 49.027 10.128 1.00 0.00 C ATOM 121 CG GLN A 8 57.745 48.660 11.141 1.00 0.00 C ATOM 122 CD GLN A 8 57.984 47.292 11.772 1.00 0.00 C ATOM 123 OE1 GLN A 8 58.684 47.184 12.776 1.00 0.00 O ATOM 124 NE2 GLN A 8 57.390 46.246 11.192 1.00 0.00 N ATOM 0 H GLN A 8 60.424 49.326 8.357 1.00 0.00 H new ATOM 0 HA GLN A 8 59.075 47.047 9.321 1.00 0.00 H new ATOM 0 HB2 GLN A 8 59.800 49.042 10.629 1.00 0.00 H new ATOM 0 HB3 GLN A 8 58.651 50.035 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 8 57.709 49.418 11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 8 56.773 48.666 10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 8 56.817 46.382 10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 8 57.509 45.311 11.582 1.00 0.00 H new ATOM 133 N PHE A 9 57.288 49.104 7.445 1.00 0.00 N ATOM 134 CA PHE A 9 56.099 49.216 6.619 1.00 0.00 C ATOM 135 C PHE A 9 56.096 48.142 5.534 1.00 0.00 C ATOM 136 O PHE A 9 55.063 47.521 5.287 1.00 0.00 O ATOM 137 CB PHE A 9 56.034 50.617 6.010 1.00 0.00 C ATOM 138 CG PHE A 9 54.810 50.857 5.153 1.00 0.00 C ATOM 139 CD1 PHE A 9 53.578 51.155 5.758 1.00 0.00 C ATOM 140 CD2 PHE A 9 54.900 50.770 3.755 1.00 0.00 C ATOM 141 CE1 PHE A 9 52.442 51.378 4.965 1.00 0.00 C ATOM 142 CE2 PHE A 9 53.764 50.995 2.963 1.00 0.00 C ATOM 143 CZ PHE A 9 52.536 51.302 3.568 1.00 0.00 C ATOM 0 H PHE A 9 57.894 49.924 7.403 1.00 0.00 H new ATOM 0 HA PHE A 9 55.214 49.061 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 9 56.053 51.353 6.814 1.00 0.00 H new ATOM 0 HB3 PHE A 9 56.926 50.782 5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 9 53.505 51.213 6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 9 55.844 50.530 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 9 51.495 51.608 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 9 53.835 50.932 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 9 51.663 51.480 2.958 1.00 0.00 H new ATOM 153 N ALA A 10 57.251 47.915 4.899 1.00 0.00 N ATOM 154 CA ALA A 10 57.406 46.868 3.903 1.00 0.00 C ATOM 155 C ALA A 10 57.210 45.498 4.547 1.00 0.00 C ATOM 156 O ALA A 10 56.528 44.647 3.980 1.00 0.00 O ATOM 157 CB ALA A 10 58.782 46.976 3.246 1.00 0.00 C ATOM 0 H ALA A 10 58.100 48.456 5.066 1.00 0.00 H new ATOM 0 HA ALA A 10 56.647 46.989 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 10 58.892 46.188 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 10 58.880 47.949 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.557 46.868 4.005 1.00 0.00 H new ATOM 163 N LYS A 11 57.771 45.303 5.748 1.00 0.00 N ATOM 164 CA LYS A 11 57.514 44.119 6.554 1.00 0.00 C ATOM 165 C LYS A 11 56.196 44.298 7.308 1.00 0.00 C ATOM 166 O LYS A 11 56.095 43.976 8.491 1.00 0.00 O ATOM 167 CB LYS A 11 58.685 43.873 7.512 1.00 0.00 C ATOM 168 CG LYS A 11 59.970 43.562 6.738 1.00 0.00 C ATOM 169 CD LYS A 11 61.171 43.404 7.676 1.00 0.00 C ATOM 170 CE LYS A 11 61.028 42.188 8.593 1.00 0.00 C ATOM 171 NZ LYS A 11 62.242 41.989 9.400 1.00 0.00 N ATOM 0 H LYS A 11 58.414 45.966 6.181 1.00 0.00 H new ATOM 0 HA LYS A 11 57.425 43.243 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 11 58.837 44.751 8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 11 58.447 43.043 8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.835 42.647 6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 11 60.168 44.362 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 11 62.082 43.307 7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 11 61.278 44.304 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 11 60.169 42.323 9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 60.835 41.298 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 62.119 41.158 10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 63.056 41.837 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 62.410 42.831 9.987 1.00 0.00 H new ATOM 185 N GLY A 12 55.184 44.814 6.604 1.00 0.00 N ATOM 186 CA GLY A 12 53.839 45.003 7.115 1.00 0.00 C ATOM 187 C GLY A 12 52.858 45.036 5.954 1.00 0.00 C ATOM 188 O GLY A 12 51.780 44.451 6.042 1.00 0.00 O ATOM 0 H GLY A 12 55.289 45.118 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 12 53.582 44.195 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 12 53.781 45.932 7.681 1.00 0.00 H new ATOM 192 N VAL A 13 53.283 45.629 4.833 1.00 0.00 N ATOM 193 CA VAL A 13 52.753 45.266 3.532 1.00 0.00 C ATOM 194 C VAL A 13 53.632 44.139 2.990 1.00 0.00 C ATOM 195 O VAL A 13 54.005 44.119 1.818 1.00 0.00 O ATOM 196 CB VAL A 13 52.739 46.491 2.611 1.00 0.00 C ATOM 197 CG1 VAL A 13 51.870 46.239 1.374 1.00 0.00 C ATOM 198 CG2 VAL A 13 52.186 47.722 3.334 1.00 0.00 C ATOM 0 H VAL A 13 53.993 46.361 4.810 1.00 0.00 H new ATOM 0 HA VAL A 13 51.721 44.920 3.597 1.00 0.00 H new ATOM 0 HB VAL A 13 53.772 46.670 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 51.878 47.124 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 13 52.266 45.389 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 13 50.848 46.025 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.189 48.575 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 13 51.166 47.523 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 13 52.809 47.946 4.200 1.00 0.00 H new ATOM 208 N GLY A 14 53.977 43.210 3.885 1.00 0.00 N ATOM 209 CA GLY A 14 54.791 42.043 3.614 1.00 0.00 C ATOM 210 C GLY A 14 54.090 40.820 4.190 1.00 0.00 C ATOM 211 O GLY A 14 54.174 39.734 3.623 1.00 0.00 O ATOM 0 H GLY A 14 53.679 43.262 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 14 54.938 41.925 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 14 55.779 42.158 4.060 1.00 0.00 H new ATOM 215 N LYS A 15 53.374 41.011 5.304 1.00 0.00 N ATOM 216 CA LYS A 15 52.539 39.984 5.903 1.00 0.00 C ATOM 217 C LYS A 15 51.125 40.052 5.334 1.00 0.00 C ATOM 218 O LYS A 15 50.424 39.043 5.303 1.00 0.00 O ATOM 219 CB LYS A 15 52.548 40.122 7.425 1.00 0.00 C ATOM 220 CG LYS A 15 51.877 41.416 7.893 1.00 0.00 C ATOM 221 CD LYS A 15 52.055 41.572 9.403 1.00 0.00 C ATOM 222 CE LYS A 15 51.454 42.891 9.895 1.00 0.00 C ATOM 223 NZ LYS A 15 50.003 42.952 9.655 1.00 0.00 N ATOM 0 H LYS A 15 53.363 41.894 5.814 1.00 0.00 H new ATOM 0 HA LYS A 15 52.943 39.002 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 15 52.036 39.268 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 15 53.577 40.098 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 15 52.313 42.271 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 50.816 41.398 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 15 51.578 40.737 9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 15 53.115 41.536 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 15 51.652 43.006 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 15 51.942 43.724 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 49.604 43.776 10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 49.823 43.039 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 49.555 42.084 10.013 1.00 0.00 H new ATOM 237 N ASP A 16 50.720 41.233 4.852 1.00 0.00 N ATOM 238 CA ASP A 16 49.523 41.387 4.044 1.00 0.00 C ATOM 239 C ASP A 16 49.759 40.763 2.667 1.00 0.00 C ATOM 240 O ASP A 16 48.813 40.342 2.004 1.00 0.00 O ATOM 241 CB ASP A 16 49.197 42.877 3.921 1.00 0.00 C ATOM 242 CG ASP A 16 47.879 43.111 3.189 1.00 0.00 C ATOM 243 OD1 ASP A 16 46.841 43.211 3.839 1.00 0.00 O ATOM 244 OD2 ASP A 16 47.957 43.204 1.830 1.00 0.00 O ATOM 0 H ASP A 16 51.221 42.106 5.017 1.00 0.00 H new ATOM 0 HA ASP A 16 48.679 40.880 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 16 49.144 43.321 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 16 50.003 43.383 3.389 1.00 0.00 H new ATOM 250 N LEU A 17 51.028 40.714 2.245 1.00 0.00 N ATOM 251 CA LEU A 17 51.455 40.240 0.950 1.00 0.00 C ATOM 252 C LEU A 17 51.720 38.747 1.054 1.00 0.00 C ATOM 253 O LEU A 17 51.179 37.965 0.274 1.00 0.00 O ATOM 254 CB LEU A 17 52.731 41.004 0.598 1.00 0.00 C ATOM 255 CG LEU A 17 53.169 40.954 -0.866 1.00 0.00 C ATOM 256 CD1 LEU A 17 53.587 39.555 -1.323 1.00 0.00 C ATOM 257 CD2 LEU A 17 52.111 41.528 -1.810 1.00 0.00 C ATOM 0 H LEU A 17 51.806 41.019 2.830 1.00 0.00 H new ATOM 0 HA LEU A 17 50.704 40.402 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 52.593 42.048 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 17 53.543 40.614 1.212 1.00 0.00 H new ATOM 0 HG LEU A 17 54.053 41.589 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 53.886 39.589 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 54.425 39.210 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 52.748 38.869 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 17 52.470 41.470 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 17 51.189 40.955 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 51.919 42.569 -1.551 1.00 0.00 H new ATOM 269 N VAL A 18 52.530 38.354 2.045 1.00 0.00 N ATOM 270 CA VAL A 18 52.750 36.946 2.320 1.00 0.00 C ATOM 271 C VAL A 18 51.437 36.327 2.795 1.00 0.00 C ATOM 272 O VAL A 18 51.180 35.153 2.533 1.00 0.00 O ATOM 273 CB VAL A 18 53.888 36.766 3.333 1.00 0.00 C ATOM 274 CG1 VAL A 18 53.961 35.324 3.844 1.00 0.00 C ATOM 275 CG2 VAL A 18 55.225 37.104 2.668 1.00 0.00 C ATOM 0 H VAL A 18 53.036 38.992 2.660 1.00 0.00 H new ATOM 0 HA VAL A 18 53.062 36.427 1.414 1.00 0.00 H new ATOM 0 HB VAL A 18 53.690 37.432 4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 18 54.778 35.232 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 18 53.021 35.062 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 18 54.135 34.649 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 18 56.033 36.976 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 18 55.387 36.440 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 18 55.208 38.137 2.322 1.00 0.00 H new ATOM 285 N LYS A 19 50.590 37.130 3.450 1.00 0.00 N ATOM 286 CA LYS A 19 49.255 36.708 3.844 1.00 0.00 C ATOM 287 C LYS A 19 48.398 36.481 2.603 1.00 0.00 C ATOM 288 O LYS A 19 47.620 35.531 2.545 1.00 0.00 O ATOM 289 CB LYS A 19 48.629 37.774 4.749 1.00 0.00 C ATOM 290 CG LYS A 19 47.222 37.394 5.230 1.00 0.00 C ATOM 291 CD LYS A 19 46.157 37.612 4.150 1.00 0.00 C ATOM 292 CE LYS A 19 44.768 37.291 4.709 1.00 0.00 C ATOM 293 NZ LYS A 19 43.713 37.515 3.705 1.00 0.00 N ATOM 0 H LYS A 19 50.817 38.088 3.718 1.00 0.00 H new ATOM 0 HA LYS A 19 49.314 35.771 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 19 49.273 37.934 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 19 48.580 38.720 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 47.216 36.348 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 19 46.970 37.986 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 19 46.188 38.644 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 19 46.366 36.978 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 19 44.740 36.253 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 44.575 37.911 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 42.786 37.288 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 43.724 38.511 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 43.883 36.905 2.880 1.00 0.00 H new ATOM 307 N GLY A 20 48.557 37.361 1.609 1.00 0.00 N ATOM 308 CA GLY A 20 47.825 37.315 0.359 1.00 0.00 C ATOM 309 C GLY A 20 48.291 36.128 -0.471 1.00 0.00 C ATOM 310 O GLY A 20 47.473 35.392 -1.019 1.00 0.00 O ATOM 0 H GLY A 20 49.215 38.139 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 20 46.756 37.235 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 20 47.978 38.240 -0.196 1.00 0.00 H new ATOM 314 N ALA A 21 49.611 35.928 -0.533 1.00 0.00 N ATOM 315 CA ALA A 21 50.190 34.742 -1.135 1.00 0.00 C ATOM 316 C ALA A 21 49.756 33.499 -0.363 1.00 0.00 C ATOM 317 O ALA A 21 49.544 32.446 -0.961 1.00 0.00 O ATOM 318 CB ALA A 21 51.712 34.867 -1.158 1.00 0.00 C ATOM 0 H ALA A 21 50.299 36.586 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 21 49.835 34.646 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 21 52.144 33.974 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 21 51.996 35.743 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 21 52.084 34.973 -0.139 1.00 0.00 H new ATOM 324 N ALA A 22 49.612 33.632 0.960 1.00 0.00 N ATOM 325 CA ALA A 22 49.214 32.529 1.822 1.00 0.00 C ATOM 326 C ALA A 22 47.701 32.307 1.817 1.00 0.00 C ATOM 327 O ALA A 22 47.246 31.235 2.211 1.00 0.00 O ATOM 328 CB ALA A 22 49.716 32.767 3.245 1.00 0.00 C ATOM 0 H ALA A 22 49.769 34.509 1.457 1.00 0.00 H new ATOM 0 HA ALA A 22 49.671 31.622 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 22 49.413 31.936 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 22 50.803 32.842 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 22 49.291 33.693 3.631 1.00 0.00 H new ATOM 334 N GLN A 23 46.921 33.308 1.387 1.00 0.00 N ATOM 335 CA GLN A 23 45.469 33.242 1.381 1.00 0.00 C ATOM 336 C GLN A 23 44.985 32.068 0.532 1.00 0.00 C ATOM 337 O GLN A 23 44.071 31.351 0.936 1.00 0.00 O ATOM 338 CB GLN A 23 44.920 34.581 0.878 1.00 0.00 C ATOM 339 CG GLN A 23 43.408 34.719 1.077 1.00 0.00 C ATOM 340 CD GLN A 23 42.598 33.874 0.097 1.00 0.00 C ATOM 341 OE1 GLN A 23 42.936 33.785 -1.081 1.00 0.00 O ATOM 342 NE2 GLN A 23 41.521 33.253 0.586 1.00 0.00 N ATOM 0 H GLN A 23 47.291 34.190 1.032 1.00 0.00 H new ATOM 0 HA GLN A 23 45.097 33.069 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 23 45.425 35.394 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 23 45.153 34.688 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 23 43.153 34.428 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 23 43.126 35.766 0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 23 41.277 33.355 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 23 40.943 32.677 -0.026 1.00 0.00 H new ATOM 351 N GLY A 24 45.605 31.867 -0.636 1.00 0.00 N ATOM 352 CA GLY A 24 45.247 30.800 -1.549 1.00 0.00 C ATOM 353 C GLY A 24 46.444 30.515 -2.441 1.00 0.00 C ATOM 354 O GLY A 24 46.497 30.979 -3.577 1.00 0.00 O ATOM 0 H GLY A 24 46.374 32.450 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 24 44.964 29.905 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 24 44.385 31.088 -2.151 1.00 0.00 H new ATOM 358 N VAL A 25 47.416 29.770 -1.906 1.00 0.00 N ATOM 359 CA VAL A 25 48.672 29.503 -2.585 1.00 0.00 C ATOM 360 C VAL A 25 48.403 28.806 -3.915 1.00 0.00 C ATOM 361 O VAL A 25 48.894 29.238 -4.955 1.00 0.00 O ATOM 362 CB VAL A 25 49.571 28.632 -1.696 1.00 0.00 C ATOM 363 CG1 VAL A 25 50.911 28.367 -2.387 1.00 0.00 C ATOM 364 CG2 VAL A 25 49.836 29.314 -0.354 1.00 0.00 C ATOM 0 H VAL A 25 47.346 29.337 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 25 49.183 30.446 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 25 49.051 27.689 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 25 51.536 27.748 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 25 50.738 27.850 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 51.415 29.314 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 50.475 28.677 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 25 50.332 30.270 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 48.891 29.482 0.162 1.00 0.00 H new ATOM 374 N LEU A 26 47.614 27.728 -3.863 1.00 0.00 N ATOM 375 CA LEU A 26 47.215 26.960 -5.030 1.00 0.00 C ATOM 376 C LEU A 26 46.514 27.858 -6.046 1.00 0.00 C ATOM 377 O LEU A 26 46.794 27.772 -7.240 1.00 0.00 O ATOM 378 CB LEU A 26 46.296 25.813 -4.601 1.00 0.00 C ATOM 379 CG LEU A 26 46.948 24.860 -3.589 1.00 0.00 C ATOM 380 CD1 LEU A 26 45.927 23.793 -3.187 1.00 0.00 C ATOM 381 CD2 LEU A 26 48.183 24.172 -4.175 1.00 0.00 C ATOM 0 H LEU A 26 47.232 27.364 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 26 48.104 26.543 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 26 45.387 26.228 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 45.997 25.247 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 26 47.264 25.444 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 26 46.379 23.110 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 26 45.058 24.272 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 45.616 23.236 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 48.617 23.506 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 26 47.895 23.595 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 26 48.918 24.925 -4.460 1.00 0.00 H new ATOM 393 N SER A 27 45.618 28.730 -5.569 1.00 0.00 N ATOM 394 CA SER A 27 44.937 29.698 -6.412 1.00 0.00 C ATOM 395 C SER A 27 45.940 30.699 -6.975 1.00 0.00 C ATOM 396 O SER A 27 45.930 30.960 -8.177 1.00 0.00 O ATOM 397 CB SER A 27 43.841 30.404 -5.613 1.00 0.00 C ATOM 398 OG SER A 27 42.937 29.452 -5.097 1.00 0.00 O ATOM 0 H SER A 27 45.350 28.778 -4.586 1.00 0.00 H new ATOM 0 HA SER A 27 44.469 29.182 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 27 44.284 30.977 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 27 43.312 31.113 -6.251 1.00 0.00 H new ATOM 0 HG SER A 27 42.238 29.909 -4.585 1.00 0.00 H new ATOM 404 N THR A 28 46.816 31.240 -6.119 1.00 0.00 N ATOM 405 CA THR A 28 47.842 32.174 -6.558 1.00 0.00 C ATOM 406 C THR A 28 49.049 31.428 -7.122 1.00 0.00 C ATOM 407 O THR A 28 50.186 31.863 -6.951 1.00 0.00 O ATOM 408 CB THR A 28 48.219 33.144 -5.428 1.00 0.00 C ATOM 409 OG1 THR A 28 47.071 33.507 -4.691 1.00 0.00 O ATOM 410 CG2 THR A 28 48.833 34.420 -6.014 1.00 0.00 C ATOM 0 H THR A 28 46.829 31.042 -5.118 1.00 0.00 H new ATOM 0 HA THR A 28 47.440 32.780 -7.370 1.00 0.00 H new ATOM 0 HB THR A 28 48.937 32.644 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 46.796 32.757 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 28 49.097 35.101 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 28 49.728 34.166 -6.581 1.00 0.00 H new ATOM 0 HG23 THR A 28 48.111 34.902 -6.673 1.00 0.00 H new ATOM 418 N VAL A 29 48.800 30.310 -7.813 1.00 0.00 N ATOM 419 CA VAL A 29 49.633 29.869 -8.921 1.00 0.00 C ATOM 420 C VAL A 29 49.077 30.463 -10.210 1.00 0.00 C ATOM 421 O VAL A 29 49.829 30.944 -11.056 1.00 0.00 O ATOM 422 CB VAL A 29 49.694 28.338 -8.968 1.00 0.00 C ATOM 423 CG1 VAL A 29 50.550 27.870 -10.148 1.00 0.00 C ATOM 424 CG2 VAL A 29 50.300 27.792 -7.672 1.00 0.00 C ATOM 0 H VAL A 29 48.014 29.691 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 29 50.657 30.218 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 29 48.677 27.964 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 29 50.582 26.781 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 29 50.117 28.235 -11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 51.562 28.261 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 50.338 26.704 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 29 51.309 28.185 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 29 49.685 28.098 -6.826 1.00 0.00 H new ATOM 434 N SER A 30 47.748 30.424 -10.345 1.00 0.00 N ATOM 435 CA SER A 30 47.046 30.967 -11.487 1.00 0.00 C ATOM 436 C SER A 30 47.025 32.485 -11.417 1.00 0.00 C ATOM 437 O SER A 30 47.523 33.147 -12.326 1.00 0.00 O ATOM 438 CB SER A 30 45.630 30.390 -11.513 1.00 0.00 C ATOM 439 OG SER A 30 45.690 28.992 -11.689 1.00 0.00 O ATOM 0 H SER A 30 47.131 30.006 -9.649 1.00 0.00 H new ATOM 0 HA SER A 30 47.558 30.690 -12.409 1.00 0.00 H new ATOM 0 HB2 SER A 30 45.113 30.627 -10.583 1.00 0.00 H new ATOM 0 HB3 SER A 30 45.057 30.844 -12.321 1.00 0.00 H new ATOM 0 HG SER A 30 44.781 28.625 -11.704 1.00 0.00 H new ATOM 445 N CYS A 31 46.458 33.036 -10.339 1.00 0.00 N ATOM 446 CA CYS A 31 46.401 34.476 -10.171 1.00 0.00 C ATOM 447 C CYS A 31 47.743 35.030 -9.683 1.00 0.00 C ATOM 448 O CYS A 31 47.754 35.970 -8.893 1.00 0.00 O ATOM 449 CB CYS A 31 45.215 34.874 -9.282 1.00 0.00 C ATOM 450 SG CYS A 31 45.187 34.180 -7.608 1.00 0.00 S ATOM 0 H CYS A 31 46.037 32.503 -9.578 1.00 0.00 H new ATOM 0 HA CYS A 31 46.224 34.937 -11.142 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.200 35.961 -9.201 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.296 34.580 -9.788 1.00 0.00 H new ATOM 455 N LYS A 32 48.871 34.503 -10.189 1.00 0.00 N ATOM 456 CA LYS A 32 50.169 35.155 -10.028 1.00 0.00 C ATOM 457 C LYS A 32 50.380 36.272 -11.048 1.00 0.00 C ATOM 458 O LYS A 32 50.583 37.421 -10.669 1.00 0.00 O ATOM 459 CB LYS A 32 51.292 34.151 -10.276 1.00 0.00 C ATOM 460 CG LYS A 32 51.331 33.045 -9.232 1.00 0.00 C ATOM 461 CD LYS A 32 51.712 33.529 -7.827 1.00 0.00 C ATOM 462 CE LYS A 32 53.107 34.160 -7.766 1.00 0.00 C ATOM 463 NZ LYS A 32 54.150 33.240 -8.253 1.00 0.00 N ATOM 0 H LYS A 32 48.904 33.628 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 32 50.185 35.556 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 51.166 33.708 -11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 32 52.248 34.675 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 32 50.353 32.566 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 32 52.044 32.284 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 32 50.975 34.257 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 32 51.670 32.687 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 32 53.119 35.071 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 32 53.330 34.450 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 55.088 33.650 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 54.068 32.329 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 54.031 33.090 -9.275 1.00 0.00 H new ATOM 477 N LEU A 33 50.426 35.877 -12.327 1.00 0.00 N ATOM 478 CA LEU A 33 50.933 36.609 -13.483 1.00 0.00 C ATOM 479 C LEU A 33 50.789 38.122 -13.350 1.00 0.00 C ATOM 480 O LEU A 33 49.983 38.753 -14.029 1.00 0.00 O ATOM 481 CB LEU A 33 50.265 36.060 -14.750 1.00 0.00 C ATOM 482 CG LEU A 33 50.870 36.596 -16.056 1.00 0.00 C ATOM 483 CD1 LEU A 33 52.332 36.171 -16.220 1.00 0.00 C ATOM 484 CD2 LEU A 33 50.061 36.048 -17.233 1.00 0.00 C ATOM 0 H LEU A 33 50.078 34.957 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 33 52.009 36.447 -13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 33 50.340 34.973 -14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 33 49.204 36.307 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 33 50.835 37.685 -16.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 52.724 36.570 -17.156 1.00 0.00 H new ATOM 0 HD12 LEU A 33 52.919 36.557 -15.387 1.00 0.00 H new ATOM 0 HD13 LEU A 33 52.395 35.083 -16.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 50.480 36.421 -18.168 1.00 0.00 H new ATOM 0 HD22 LEU A 33 50.101 34.959 -17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 49.024 36.373 -17.145 1.00 0.00 H new ATOM 496 N ALA A 34 51.617 38.677 -12.461 1.00 0.00 N ATOM 497 CA ALA A 34 51.720 40.103 -12.167 1.00 0.00 C ATOM 498 C ALA A 34 50.443 40.592 -11.489 1.00 0.00 C ATOM 499 O ALA A 34 49.762 41.486 -11.989 1.00 0.00 O ATOM 500 CB ALA A 34 52.056 40.900 -13.431 1.00 0.00 C ATOM 0 H ALA A 34 52.261 38.117 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 34 52.542 40.266 -11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 34 52.127 41.959 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 34 53.008 40.557 -13.835 1.00 0.00 H new ATOM 0 HB3 ALA A 34 51.272 40.752 -14.174 1.00 0.00 H new ATOM 506 N LYS A 35 50.118 39.960 -10.357 1.00 0.00 N ATOM 507 CA LYS A 35 48.869 40.095 -9.644 1.00 0.00 C ATOM 508 C LYS A 35 49.125 40.017 -8.147 1.00 0.00 C ATOM 509 O LYS A 35 48.701 40.898 -7.403 1.00 0.00 O ATOM 510 CB LYS A 35 47.932 38.954 -10.040 1.00 0.00 C ATOM 511 CG LYS A 35 47.595 38.903 -11.530 1.00 0.00 C ATOM 512 CD LYS A 35 47.068 37.504 -11.851 1.00 0.00 C ATOM 513 CE LYS A 35 46.711 37.405 -13.334 1.00 0.00 C ATOM 514 NZ LYS A 35 46.340 36.029 -13.702 1.00 0.00 N ATOM 0 H LYS A 35 50.759 39.311 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 35 48.417 41.055 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 35 48.389 38.008 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 35 47.006 39.047 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 35 46.848 39.657 -11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 35 48.479 39.123 -12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 47.821 36.757 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 35 46.190 37.289 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 35 45.884 38.079 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 35 47.559 37.729 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 46.103 35.992 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 47.139 35.391 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 45.516 35.730 -13.142 1.00 0.00 H new ATOM 528 N THR A 36 49.732 38.899 -7.726 1.00 0.00 N ATOM 529 CA THR A 36 49.641 38.366 -6.373 1.00 0.00 C ATOM 530 C THR A 36 48.174 38.138 -6.000 1.00 0.00 C ATOM 531 O THR A 36 47.842 37.980 -4.827 1.00 0.00 O ATOM 532 CB THR A 36 50.397 39.221 -5.342 1.00 0.00 C ATOM 533 OG1 THR A 36 49.713 40.416 -5.037 1.00 0.00 O ATOM 534 CG2 THR A 36 51.813 39.545 -5.823 1.00 0.00 C ATOM 0 H THR A 36 50.315 38.329 -8.340 1.00 0.00 H new ATOM 0 HA THR A 36 50.146 37.400 -6.355 1.00 0.00 H new ATOM 0 HB THR A 36 50.458 38.625 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 36 49.065 40.612 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 36 52.322 40.150 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 36 52.366 38.618 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 36 51.761 40.098 -6.761 1.00 0.00 H new ATOM 542 N CYS A 37 47.305 38.111 -7.019 1.00 0.00 N ATOM 543 CA CYS A 37 45.882 37.860 -6.893 1.00 0.00 C ATOM 544 C CYS A 37 45.136 39.119 -6.459 1.00 0.00 C ATOM 545 O CYS A 37 44.238 39.560 -7.174 1.00 0.00 O ATOM 546 CB CYS A 37 45.627 36.682 -5.951 1.00 0.00 C ATOM 547 SG CYS A 37 44.266 35.595 -6.456 1.00 0.00 S ATOM 548 OXT CYS A 37 45.532 39.680 -5.280 1.00 0.00 O ATOM 0 H CYS A 37 47.594 38.270 -7.984 1.00 0.00 H new ATOM 0 HA CYS A 37 45.490 37.586 -7.872 1.00 0.00 H new ATOM 0 HB2 CYS A 37 46.539 36.090 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.415 37.069 -4.955 1.00 0.00 H new TER 554 CYS A 37