USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -168:sc= 1.94 (180deg=0.623) USER MOD Set 1.2: A 27 TYR OH : rot -28:sc= 1.56 USER MOD Set 2.1: A 13 TYR OH : rot -29:sc= 1.37 USER MOD Set 2.2: A 23 TYR OH : rot -30:sc= 1.07 USER MOD Set 3.1: A 3 GLN : amide:sc= 1.37 K(o=1.9,f=-3.4!) USER MOD Set 3.2: A 56 TYR OH : rot 100:sc= 0.565 USER MOD Set 3.3: A 60 GLN : amide:sc= 0 X(o=1.9,f=1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.54 (180deg=2.37) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0.983) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.982) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 2.18 (180deg=2.11) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0.16 (180deg=0.0287) USER MOD Single : A 29 ASN : amide:sc= 0.829 K(o=0.83,f=-7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 1.17 (180deg=0.947) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.16) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.14 (180deg=0.994) USER MOD Single : A 59 ASN : amide:sc= 0.31 K(o=0.31,f=-3.2!) USER MOD Single : A 65 GLN : amide:sc= 1.14 K(o=1.1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.956 -42.349 9.212 1.00 0.00 N ATOM 2 CA MET A 1 14.406 -41.763 10.471 1.00 0.00 C ATOM 3 C MET A 1 15.617 -42.493 11.089 1.00 0.00 C ATOM 4 O MET A 1 16.610 -41.835 11.403 1.00 0.00 O ATOM 5 CB MET A 1 13.224 -41.743 11.477 1.00 0.00 C ATOM 6 CG MET A 1 12.094 -40.762 11.095 1.00 0.00 C ATOM 7 SD MET A 1 10.698 -40.823 12.248 1.00 0.00 S ATOM 8 CE MET A 1 11.136 -39.484 13.386 1.00 0.00 C ATOM 0 H1 MET A 1 13.221 -41.745 8.791 1.00 0.00 H new ATOM 0 H2 MET A 1 14.760 -42.423 8.557 1.00 0.00 H new ATOM 0 H3 MET A 1 13.566 -43.297 9.390 1.00 0.00 H new ATOM 0 HA MET A 1 14.741 -40.749 10.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.809 -42.748 11.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.604 -41.478 12.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.493 -39.748 11.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.741 -40.994 10.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.370 -39.396 14.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.097 -39.703 13.853 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.205 -38.546 12.835 1.00 0.00 H new ATOM 20 N LEU A 2 15.586 -43.828 11.253 1.00 0.00 N ATOM 21 CA LEU A 2 16.614 -44.562 12.002 1.00 0.00 C ATOM 22 C LEU A 2 17.165 -45.838 11.318 1.00 0.00 C ATOM 23 O LEU A 2 16.454 -46.771 10.908 1.00 0.00 O ATOM 24 CB LEU A 2 16.072 -44.925 13.418 1.00 0.00 C ATOM 25 CG LEU A 2 16.016 -43.775 14.455 1.00 0.00 C ATOM 26 CD1 LEU A 2 15.188 -44.212 15.673 1.00 0.00 C ATOM 27 CD2 LEU A 2 17.418 -43.370 14.949 1.00 0.00 C ATOM 0 H LEU A 2 14.851 -44.423 10.871 1.00 0.00 H new ATOM 0 HA LEU A 2 17.462 -43.880 12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 2 15.067 -45.331 13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 2 16.693 -45.722 13.826 1.00 0.00 H new ATOM 0 HG LEU A 2 15.560 -42.919 13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.152 -43.400 16.399 1.00 0.00 H new ATOM 0 HD12 LEU A 2 14.175 -44.459 15.355 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.648 -45.087 16.131 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.329 -42.561 15.674 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.900 -44.227 15.419 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.019 -43.035 14.104 1.00 0.00 H new ATOM 39 N GLN A 3 18.507 -45.854 11.298 1.00 0.00 N ATOM 40 CA GLN A 3 19.356 -46.977 10.877 1.00 0.00 C ATOM 41 C GLN A 3 19.047 -48.290 11.626 1.00 0.00 C ATOM 42 O GLN A 3 19.023 -49.375 11.040 1.00 0.00 O ATOM 43 CB GLN A 3 20.855 -46.589 11.093 1.00 0.00 C ATOM 44 CG GLN A 3 21.442 -45.478 10.157 1.00 0.00 C ATOM 45 CD GLN A 3 20.896 -44.060 10.395 1.00 0.00 C ATOM 46 OE1 GLN A 3 20.200 -43.755 11.360 1.00 0.00 O ATOM 47 NE2 GLN A 3 21.182 -43.133 9.502 1.00 0.00 N ATOM 0 H GLN A 3 19.055 -45.044 11.589 1.00 0.00 H new ATOM 0 HA GLN A 3 19.147 -47.164 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 3 20.975 -46.261 12.125 1.00 0.00 H new ATOM 0 HB3 GLN A 3 21.459 -47.488 10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 3 22.525 -45.458 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 3 21.244 -45.757 9.122 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.758 -43.365 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.827 -42.184 9.620 1.00 0.00 H new ATOM 56 N LYS A 4 18.780 -48.145 12.932 1.00 0.00 N ATOM 57 CA LYS A 4 18.337 -49.224 13.811 1.00 0.00 C ATOM 58 C LYS A 4 16.989 -49.847 13.377 1.00 0.00 C ATOM 59 O LYS A 4 16.810 -51.059 13.493 1.00 0.00 O ATOM 60 CB LYS A 4 18.284 -48.649 15.259 1.00 0.00 C ATOM 61 CG LYS A 4 18.023 -49.677 16.391 1.00 0.00 C ATOM 62 CD LYS A 4 19.161 -50.707 16.538 1.00 0.00 C ATOM 63 CE LYS A 4 18.851 -51.770 17.584 1.00 0.00 C ATOM 64 NZ LYS A 4 19.855 -52.814 17.416 1.00 0.00 N ATOM 0 H LYS A 4 18.870 -47.250 13.413 1.00 0.00 H new ATOM 0 HA LYS A 4 19.044 -50.052 13.756 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.229 -48.146 15.463 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.503 -47.889 15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.895 -49.147 17.335 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.088 -50.201 16.191 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.338 -51.188 15.576 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.082 -50.191 16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.891 -51.350 18.589 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.847 -52.170 17.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.594 -53.642 17.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.907 -53.088 16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.782 -52.458 17.726 1.00 0.00 H new ATOM 78 N LYS A 5 16.051 -49.056 12.838 1.00 0.00 N ATOM 79 CA LYS A 5 14.756 -49.549 12.362 1.00 0.00 C ATOM 80 C LYS A 5 14.844 -50.275 11.001 1.00 0.00 C ATOM 81 O LYS A 5 14.126 -51.270 10.821 1.00 0.00 O ATOM 82 CB LYS A 5 13.726 -48.395 12.371 1.00 0.00 C ATOM 83 CG LYS A 5 13.494 -47.775 13.776 1.00 0.00 C ATOM 84 CD LYS A 5 12.678 -48.662 14.741 1.00 0.00 C ATOM 85 CE LYS A 5 12.754 -48.229 16.207 1.00 0.00 C ATOM 86 NZ LYS A 5 14.063 -48.607 16.731 1.00 0.00 N ATOM 0 H LYS A 5 16.173 -48.050 12.720 1.00 0.00 H new ATOM 0 HA LYS A 5 14.411 -50.318 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.063 -47.614 11.690 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.776 -48.765 11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.462 -47.562 14.229 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.980 -46.821 13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.634 -48.658 14.426 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.031 -49.690 14.659 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.608 -47.152 16.293 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.962 -48.705 16.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.004 -48.723 17.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.364 -49.504 16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.755 -47.864 16.505 1.00 0.00 H new ATOM 100 N ILE A 6 15.713 -49.834 10.055 1.00 0.00 N ATOM 101 CA ILE A 6 16.083 -50.690 8.897 1.00 0.00 C ATOM 102 C ILE A 6 16.654 -52.026 9.396 1.00 0.00 C ATOM 103 O ILE A 6 16.196 -53.075 8.941 1.00 0.00 O ATOM 104 CB ILE A 6 17.101 -50.098 7.844 1.00 0.00 C ATOM 105 CG1 ILE A 6 16.620 -48.795 7.190 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.472 -51.085 6.674 1.00 0.00 C ATOM 107 CD1 ILE A 6 17.198 -47.557 7.875 1.00 0.00 C ATOM 0 H ILE A 6 16.160 -48.917 10.068 1.00 0.00 H new ATOM 0 HA ILE A 6 15.140 -50.789 8.360 1.00 0.00 H new ATOM 0 HB ILE A 6 17.983 -49.912 8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.905 -48.792 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.531 -48.753 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.175 -50.599 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 6 17.929 -51.984 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.569 -51.356 6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 6 16.829 -46.660 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.892 -47.543 8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.286 -47.583 7.816 1.00 0.00 H new ATOM 119 N GLU A 7 17.614 -51.978 10.340 1.00 0.00 N ATOM 120 CA GLU A 7 18.159 -53.173 10.983 1.00 0.00 C ATOM 121 C GLU A 7 17.052 -54.020 11.632 1.00 0.00 C ATOM 122 O GLU A 7 16.947 -55.171 11.239 1.00 0.00 O ATOM 123 CB GLU A 7 19.290 -52.776 11.976 1.00 0.00 C ATOM 124 CG GLU A 7 20.085 -53.962 12.629 1.00 0.00 C ATOM 125 CD GLU A 7 19.573 -54.382 14.013 1.00 0.00 C ATOM 126 OE1 GLU A 7 19.947 -53.747 15.002 1.00 0.00 O ATOM 127 OE2 GLU A 7 18.828 -55.351 14.106 1.00 0.00 O ATOM 0 H GLU A 7 18.028 -51.107 10.673 1.00 0.00 H new ATOM 0 HA GLU A 7 18.608 -53.812 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.999 -52.136 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.851 -52.177 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.042 -54.823 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.134 -53.677 12.714 1.00 0.00 H new ATOM 134 N GLU A 8 16.181 -53.536 12.529 1.00 0.00 N ATOM 135 CA GLU A 8 15.135 -54.363 13.153 1.00 0.00 C ATOM 136 C GLU A 8 14.115 -55.012 12.190 1.00 0.00 C ATOM 137 O GLU A 8 13.574 -56.060 12.555 1.00 0.00 O ATOM 138 CB GLU A 8 14.382 -53.541 14.227 1.00 0.00 C ATOM 139 CG GLU A 8 15.266 -53.190 15.459 1.00 0.00 C ATOM 140 CD GLU A 8 14.516 -52.320 16.467 1.00 0.00 C ATOM 141 OE1 GLU A 8 13.754 -52.861 17.263 1.00 0.00 O ATOM 142 OE2 GLU A 8 14.688 -51.098 16.440 1.00 0.00 O ATOM 0 H GLU A 8 16.180 -52.565 12.842 1.00 0.00 H new ATOM 0 HA GLU A 8 15.677 -55.200 13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.013 -52.619 13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.510 -54.104 14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.593 -54.109 15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.163 -52.669 15.126 1.00 0.00 H new ATOM 149 N GLU A 9 13.779 -54.458 11.013 1.00 0.00 N ATOM 150 CA GLU A 9 13.022 -55.199 9.986 1.00 0.00 C ATOM 151 C GLU A 9 13.901 -56.047 9.048 1.00 0.00 C ATOM 152 O GLU A 9 13.648 -57.250 8.927 1.00 0.00 O ATOM 153 CB GLU A 9 12.043 -54.235 9.262 1.00 0.00 C ATOM 154 CG GLU A 9 10.561 -54.362 9.776 1.00 0.00 C ATOM 155 CD GLU A 9 10.389 -54.291 11.299 1.00 0.00 C ATOM 156 OE1 GLU A 9 10.520 -53.216 11.886 1.00 0.00 O ATOM 157 OE2 GLU A 9 10.106 -55.325 11.909 1.00 0.00 O ATOM 0 H GLU A 9 14.018 -53.502 10.748 1.00 0.00 H new ATOM 0 HA GLU A 9 12.421 -55.957 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.383 -53.209 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.069 -54.437 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.967 -53.569 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.151 -55.309 9.424 1.00 0.00 H new ATOM 164 N ALA A 10 14.917 -55.489 8.381 1.00 0.00 N ATOM 165 CA ALA A 10 15.878 -56.273 7.590 1.00 0.00 C ATOM 166 C ALA A 10 16.871 -57.175 8.377 1.00 0.00 C ATOM 167 O ALA A 10 17.743 -57.782 7.754 1.00 0.00 O ATOM 168 CB ALA A 10 16.583 -55.304 6.615 1.00 0.00 C ATOM 0 H ALA A 10 15.098 -54.485 8.373 1.00 0.00 H new ATOM 0 HA ALA A 10 15.304 -57.028 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.304 -55.856 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.842 -54.842 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.100 -54.530 7.182 1.00 0.00 H new ATOM 174 N ALA A 11 16.853 -57.277 9.713 1.00 0.00 N ATOM 175 CA ALA A 11 17.393 -58.430 10.447 1.00 0.00 C ATOM 176 C ALA A 11 16.470 -59.661 10.460 1.00 0.00 C ATOM 177 O ALA A 11 16.968 -60.788 10.444 1.00 0.00 O ATOM 178 CB ALA A 11 17.721 -58.026 11.904 1.00 0.00 C ATOM 0 H ALA A 11 16.461 -56.557 10.319 1.00 0.00 H new ATOM 0 HA ALA A 11 18.295 -58.723 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.120 -58.887 12.439 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.461 -57.225 11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.813 -57.680 12.399 1.00 0.00 H new ATOM 184 N LYS A 12 15.141 -59.462 10.485 1.00 0.00 N ATOM 185 CA LYS A 12 14.177 -60.543 10.706 1.00 0.00 C ATOM 186 C LYS A 12 14.099 -61.557 9.553 1.00 0.00 C ATOM 187 O LYS A 12 14.114 -62.760 9.819 1.00 0.00 O ATOM 188 CB LYS A 12 12.765 -59.980 11.020 1.00 0.00 C ATOM 189 CG LYS A 12 12.687 -59.231 12.367 1.00 0.00 C ATOM 190 CD LYS A 12 11.223 -58.895 12.727 1.00 0.00 C ATOM 191 CE LYS A 12 11.071 -58.075 14.011 1.00 0.00 C ATOM 192 NZ LYS A 12 11.398 -56.682 13.728 1.00 0.00 N ATOM 0 H LYS A 12 14.710 -58.547 10.352 1.00 0.00 H new ATOM 0 HA LYS A 12 14.552 -61.089 11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.466 -59.304 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.048 -60.801 11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.128 -59.843 13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.272 -58.313 12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.773 -58.344 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.663 -59.824 12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.051 -58.153 14.389 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.729 -58.466 14.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.106 -56.087 14.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.424 -56.589 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.898 -56.376 12.869 1.00 0.00 H new ATOM 206 N TYR A 13 13.951 -61.099 8.296 1.00 0.00 N ATOM 207 CA TYR A 13 13.942 -61.916 7.066 1.00 0.00 C ATOM 208 C TYR A 13 12.823 -62.980 6.939 1.00 0.00 C ATOM 209 O TYR A 13 12.431 -63.324 5.824 1.00 0.00 O ATOM 210 CB TYR A 13 15.373 -62.470 6.752 1.00 0.00 C ATOM 211 CG TYR A 13 16.174 -61.534 5.820 1.00 0.00 C ATOM 212 CD1 TYR A 13 16.336 -60.174 6.056 1.00 0.00 C ATOM 213 CD2 TYR A 13 16.742 -62.032 4.657 1.00 0.00 C ATOM 214 CE1 TYR A 13 17.013 -59.362 5.166 1.00 0.00 C ATOM 215 CE2 TYR A 13 17.419 -61.222 3.765 1.00 0.00 C ATOM 216 CZ TYR A 13 17.544 -59.880 4.015 1.00 0.00 C ATOM 217 OH TYR A 13 18.120 -59.066 3.091 1.00 0.00 O ATOM 0 H TYR A 13 13.829 -60.105 8.100 1.00 0.00 H new ATOM 0 HA TYR A 13 13.659 -61.218 6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.920 -62.605 7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 13 15.286 -63.453 6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.923 -59.742 6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.652 -63.086 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 13 17.124 -58.309 5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.850 -61.647 2.870 1.00 0.00 H new ATOM 0 HH TYR A 13 17.701 -58.181 3.128 1.00 0.00 H new ATOM 227 N LYS A 14 12.315 -63.519 8.055 1.00 0.00 N ATOM 228 CA LYS A 14 11.045 -64.246 8.149 1.00 0.00 C ATOM 229 C LYS A 14 9.851 -63.360 7.727 1.00 0.00 C ATOM 230 O LYS A 14 8.969 -63.792 6.980 1.00 0.00 O ATOM 231 CB LYS A 14 10.907 -64.729 9.617 1.00 0.00 C ATOM 232 CG LYS A 14 9.661 -65.607 9.892 1.00 0.00 C ATOM 233 CD LYS A 14 9.573 -66.104 11.353 1.00 0.00 C ATOM 234 CE LYS A 14 9.247 -65.000 12.363 1.00 0.00 C ATOM 235 NZ LYS A 14 9.150 -65.626 13.673 1.00 0.00 N ATOM 0 H LYS A 14 12.797 -63.457 8.952 1.00 0.00 H new ATOM 0 HA LYS A 14 11.040 -65.096 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.800 -65.294 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.873 -63.858 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.763 -65.036 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.677 -66.468 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.810 -66.880 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.521 -66.566 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.023 -64.235 12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.311 -64.506 12.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.929 -64.903 14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.396 -66.343 13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.056 -66.080 13.909 1.00 0.00 H new ATOM 249 N TYR A 15 9.825 -62.097 8.179 1.00 0.00 N ATOM 250 CA TYR A 15 8.923 -61.069 7.651 1.00 0.00 C ATOM 251 C TYR A 15 9.411 -60.513 6.291 1.00 0.00 C ATOM 252 O TYR A 15 9.744 -59.335 6.097 1.00 0.00 O ATOM 253 CB TYR A 15 8.723 -59.964 8.717 1.00 0.00 C ATOM 254 CG TYR A 15 7.790 -60.448 9.837 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.426 -60.554 9.629 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.266 -60.749 11.100 1.00 0.00 C ATOM 257 CE1 TYR A 15 5.569 -60.930 10.644 1.00 0.00 C ATOM 258 CE2 TYR A 15 7.417 -61.125 12.123 1.00 0.00 C ATOM 259 CZ TYR A 15 6.066 -61.210 11.891 1.00 0.00 C ATOM 260 OH TYR A 15 5.208 -61.548 12.886 1.00 0.00 O ATOM 0 H TYR A 15 10.434 -61.761 8.925 1.00 0.00 H new ATOM 0 HA TYR A 15 7.952 -61.519 7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.687 -59.680 9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.305 -59.073 8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.023 -60.338 8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.327 -60.689 11.291 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.508 -61.004 10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.814 -61.351 13.101 1.00 0.00 H new ATOM 0 HH TYR A 15 5.712 -61.718 13.709 1.00 0.00 H new ATOM 270 N ALA A 16 9.362 -61.461 5.344 1.00 0.00 N ATOM 271 CA ALA A 16 9.924 -61.356 3.999 1.00 0.00 C ATOM 272 C ALA A 16 9.360 -60.202 3.156 1.00 0.00 C ATOM 273 O ALA A 16 10.128 -59.420 2.599 1.00 0.00 O ATOM 274 CB ALA A 16 9.717 -62.714 3.296 1.00 0.00 C ATOM 0 H ALA A 16 8.908 -62.360 5.507 1.00 0.00 H new ATOM 0 HA ALA A 16 10.983 -61.116 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.127 -62.668 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.226 -63.496 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.652 -62.938 3.245 1.00 0.00 H new ATOM 280 N MET A 17 8.029 -60.065 3.112 1.00 0.00 N ATOM 281 CA MET A 17 7.340 -58.998 2.382 1.00 0.00 C ATOM 282 C MET A 17 7.616 -57.598 2.975 1.00 0.00 C ATOM 283 O MET A 17 7.650 -56.604 2.248 1.00 0.00 O ATOM 284 CB MET A 17 5.823 -59.332 2.389 1.00 0.00 C ATOM 285 CG MET A 17 4.981 -58.448 1.440 1.00 0.00 C ATOM 286 SD MET A 17 3.217 -58.860 1.484 1.00 0.00 S ATOM 287 CE MET A 17 2.605 -57.608 2.640 1.00 0.00 C ATOM 0 H MET A 17 7.393 -60.703 3.590 1.00 0.00 H new ATOM 0 HA MET A 17 7.718 -58.955 1.360 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.690 -60.377 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.442 -59.223 3.404 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.112 -57.401 1.713 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.351 -58.561 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.530 -57.730 2.773 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.105 -57.725 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.811 -56.614 2.243 1.00 0.00 H new ATOM 297 N LEU A 18 7.882 -57.517 4.285 1.00 0.00 N ATOM 298 CA LEU A 18 8.049 -56.251 4.998 1.00 0.00 C ATOM 299 C LEU A 18 9.496 -55.737 4.946 1.00 0.00 C ATOM 300 O LEU A 18 9.705 -54.539 4.728 1.00 0.00 O ATOM 301 CB LEU A 18 7.501 -56.398 6.439 1.00 0.00 C ATOM 302 CG LEU A 18 6.027 -56.892 6.481 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.584 -57.123 7.925 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.053 -55.913 5.801 1.00 0.00 C ATOM 0 H LEU A 18 7.988 -58.337 4.882 1.00 0.00 H new ATOM 0 HA LEU A 18 7.466 -55.480 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.129 -57.098 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.571 -55.437 6.948 1.00 0.00 H new ATOM 0 HG LEU A 18 5.998 -57.829 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.550 -57.468 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.224 -57.876 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.662 -56.190 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.039 -56.309 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.096 -54.948 6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.333 -55.788 4.755 1.00 0.00 H new ATOM 316 N LYS A 19 10.517 -56.592 5.120 1.00 0.00 N ATOM 317 CA LYS A 19 11.861 -56.231 4.658 1.00 0.00 C ATOM 318 C LYS A 19 11.936 -56.014 3.125 1.00 0.00 C ATOM 319 O LYS A 19 12.738 -55.197 2.674 1.00 0.00 O ATOM 320 CB LYS A 19 12.916 -57.255 5.162 1.00 0.00 C ATOM 321 CG LYS A 19 12.878 -58.675 4.543 1.00 0.00 C ATOM 322 CD LYS A 19 13.803 -58.841 3.317 1.00 0.00 C ATOM 323 CE LYS A 19 13.730 -60.236 2.714 1.00 0.00 C ATOM 324 NZ LYS A 19 14.734 -60.287 1.662 1.00 0.00 N ATOM 0 H LYS A 19 10.441 -57.508 5.562 1.00 0.00 H new ATOM 0 HA LYS A 19 12.100 -55.264 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.906 -56.835 4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.802 -57.354 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.163 -59.401 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.854 -58.907 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.531 -58.107 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.831 -58.629 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.923 -60.996 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.736 -60.433 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.457 -60.995 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.810 -59.354 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.653 -60.549 2.072 1.00 0.00 H new ATOM 338 N LYS A 20 11.152 -56.705 2.279 1.00 0.00 N ATOM 339 CA LYS A 20 11.080 -56.385 0.848 1.00 0.00 C ATOM 340 C LYS A 20 10.383 -55.022 0.595 1.00 0.00 C ATOM 341 O LYS A 20 10.767 -54.320 -0.344 1.00 0.00 O ATOM 342 CB LYS A 20 10.401 -57.562 0.100 1.00 0.00 C ATOM 343 CG LYS A 20 10.837 -57.694 -1.374 1.00 0.00 C ATOM 344 CD LYS A 20 9.709 -57.348 -2.368 1.00 0.00 C ATOM 345 CE LYS A 20 10.256 -56.865 -3.710 1.00 0.00 C ATOM 346 NZ LYS A 20 10.744 -55.508 -3.489 1.00 0.00 N ATOM 0 H LYS A 20 10.562 -57.487 2.564 1.00 0.00 H new ATOM 0 HA LYS A 20 12.088 -56.267 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.628 -58.492 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.320 -57.430 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.688 -57.038 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.176 -58.714 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.084 -58.227 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.071 -56.576 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.059 -57.515 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.479 -56.879 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.940 -55.056 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.023 -54.959 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.617 -55.541 -2.925 1.00 0.00 H new ATOM 360 N CYS A 21 9.393 -54.616 1.418 1.00 0.00 N ATOM 361 CA CYS A 21 8.877 -53.237 1.474 1.00 0.00 C ATOM 362 C CYS A 21 9.978 -52.202 1.824 1.00 0.00 C ATOM 363 O CYS A 21 10.023 -51.135 1.198 1.00 0.00 O ATOM 364 CB CYS A 21 7.714 -53.199 2.498 1.00 0.00 C ATOM 365 SG CYS A 21 6.456 -51.921 2.235 1.00 0.00 S ATOM 0 H CYS A 21 8.926 -55.247 2.069 1.00 0.00 H new ATOM 0 HA CYS A 21 8.516 -52.953 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.221 -54.171 2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.138 -53.062 3.493 1.00 0.00 H new ATOM 370 N CYS A 22 10.886 -52.511 2.781 1.00 0.00 N ATOM 371 CA CYS A 22 12.191 -51.826 2.919 1.00 0.00 C ATOM 372 C CYS A 22 12.906 -51.712 1.583 1.00 0.00 C ATOM 373 O CYS A 22 13.209 -50.610 1.131 1.00 0.00 O ATOM 374 CB CYS A 22 13.065 -52.425 4.051 1.00 0.00 C ATOM 375 SG CYS A 22 14.094 -51.230 4.956 1.00 0.00 S ATOM 0 H CYS A 22 10.733 -53.241 3.477 1.00 0.00 H new ATOM 0 HA CYS A 22 11.989 -50.804 3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.412 -52.929 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.715 -53.186 3.621 1.00 0.00 H new ATOM 380 N TYR A 23 13.106 -52.817 0.898 1.00 0.00 N ATOM 381 CA TYR A 23 13.889 -52.787 -0.324 1.00 0.00 C ATOM 382 C TYR A 23 13.181 -52.079 -1.510 1.00 0.00 C ATOM 383 O TYR A 23 13.869 -51.482 -2.341 1.00 0.00 O ATOM 384 CB TYR A 23 14.423 -54.195 -0.512 1.00 0.00 C ATOM 385 CG TYR A 23 15.229 -54.709 0.719 1.00 0.00 C ATOM 386 CD1 TYR A 23 15.594 -53.995 1.892 1.00 0.00 C ATOM 387 CD2 TYR A 23 15.709 -55.999 0.596 1.00 0.00 C ATOM 388 CE1 TYR A 23 16.445 -54.584 2.816 1.00 0.00 C ATOM 389 CE2 TYR A 23 16.543 -56.574 1.525 1.00 0.00 C ATOM 390 CZ TYR A 23 16.919 -55.866 2.631 1.00 0.00 C ATOM 391 OH TYR A 23 17.758 -56.463 3.522 1.00 0.00 O ATOM 0 H TYR A 23 12.745 -53.735 1.158 1.00 0.00 H new ATOM 0 HA TYR A 23 14.753 -52.126 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 23 13.590 -54.871 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.062 -54.221 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.211 -53.000 2.063 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.417 -56.580 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.741 -54.030 3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.900 -57.583 1.381 1.00 0.00 H new ATOM 0 HH TYR A 23 18.309 -55.781 3.960 1.00 0.00 H new ATOM 401 N ASP A 24 11.833 -52.054 -1.569 1.00 0.00 N ATOM 402 CA ASP A 24 11.068 -51.080 -2.374 1.00 0.00 C ATOM 403 C ASP A 24 11.280 -49.604 -1.986 1.00 0.00 C ATOM 404 O ASP A 24 11.206 -48.739 -2.860 1.00 0.00 O ATOM 405 CB ASP A 24 9.546 -51.391 -2.360 1.00 0.00 C ATOM 406 CG ASP A 24 9.221 -52.580 -3.254 1.00 0.00 C ATOM 407 OD1 ASP A 24 9.219 -52.429 -4.475 1.00 0.00 O ATOM 408 OD2 ASP A 24 9.016 -53.676 -2.735 1.00 0.00 O ATOM 0 H ASP A 24 11.243 -52.711 -1.058 1.00 0.00 H new ATOM 0 HA ASP A 24 11.472 -51.203 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.224 -51.600 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.990 -50.516 -2.697 1.00 0.00 H new ATOM 413 N GLY A 25 11.476 -49.289 -0.698 1.00 0.00 N ATOM 414 CA GLY A 25 11.949 -47.963 -0.269 1.00 0.00 C ATOM 415 C GLY A 25 13.397 -47.659 -0.677 1.00 0.00 C ATOM 416 O GLY A 25 13.707 -46.514 -0.995 1.00 0.00 O ATOM 0 H GLY A 25 11.313 -49.939 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.295 -47.200 -0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.864 -47.891 0.815 1.00 0.00 H new ATOM 420 N ALA A 26 14.282 -48.666 -0.651 1.00 0.00 N ATOM 421 CA ALA A 26 15.679 -48.530 -1.073 1.00 0.00 C ATOM 422 C ALA A 26 15.873 -48.320 -2.589 1.00 0.00 C ATOM 423 O ALA A 26 16.508 -47.326 -2.952 1.00 0.00 O ATOM 424 CB ALA A 26 16.489 -49.744 -0.579 1.00 0.00 C ATOM 0 H ALA A 26 14.044 -49.605 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 26 16.050 -47.614 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.527 -49.641 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.443 -49.794 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.070 -50.657 -1.002 1.00 0.00 H new ATOM 430 N TYR A 27 15.369 -49.163 -3.514 1.00 0.00 N ATOM 431 CA TYR A 27 15.567 -48.931 -4.958 1.00 0.00 C ATOM 432 C TYR A 27 14.592 -47.893 -5.580 1.00 0.00 C ATOM 433 O TYR A 27 14.065 -48.067 -6.684 1.00 0.00 O ATOM 434 CB TYR A 27 15.700 -50.274 -5.771 1.00 0.00 C ATOM 435 CG TYR A 27 14.537 -51.281 -5.648 1.00 0.00 C ATOM 436 CD1 TYR A 27 13.240 -50.974 -6.031 1.00 0.00 C ATOM 437 CD2 TYR A 27 14.757 -52.572 -5.191 1.00 0.00 C ATOM 438 CE1 TYR A 27 12.215 -51.893 -5.956 1.00 0.00 C ATOM 439 CE2 TYR A 27 13.737 -53.504 -5.114 1.00 0.00 C ATOM 440 CZ TYR A 27 12.465 -53.160 -5.492 1.00 0.00 C ATOM 441 OH TYR A 27 11.446 -54.055 -5.382 1.00 0.00 O ATOM 0 H TYR A 27 14.829 -49.999 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 27 16.537 -48.442 -5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 27 15.821 -50.022 -6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 27 16.616 -50.773 -5.455 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.026 -49.982 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 27 15.753 -52.858 -4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.217 -51.616 -6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.943 -54.502 -4.756 1.00 0.00 H new ATOM 0 HH TYR A 27 10.604 -53.576 -5.232 1.00 0.00 H new ATOM 451 N ARG A 28 14.390 -46.749 -4.911 1.00 0.00 N ATOM 452 CA ARG A 28 13.333 -45.803 -5.277 1.00 0.00 C ATOM 453 C ARG A 28 13.864 -44.425 -5.732 1.00 0.00 C ATOM 454 O ARG A 28 14.674 -43.778 -5.061 1.00 0.00 O ATOM 455 CB ARG A 28 12.378 -45.676 -4.063 1.00 0.00 C ATOM 456 CG ARG A 28 11.121 -44.818 -4.326 1.00 0.00 C ATOM 457 CD ARG A 28 10.214 -44.746 -3.095 1.00 0.00 C ATOM 458 NE ARG A 28 9.151 -43.778 -3.371 1.00 0.00 N ATOM 459 CZ ARG A 28 7.997 -44.006 -3.925 1.00 0.00 C ATOM 460 NH1 ARG A 28 7.562 -45.157 -4.277 1.00 0.00 N ATOM 461 NH2 ARG A 28 7.264 -42.983 -4.117 1.00 0.00 N ATOM 0 H ARG A 28 14.950 -46.458 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 28 12.804 -46.190 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.064 -46.674 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.929 -45.245 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.422 -43.811 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.564 -45.237 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.790 -45.726 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.786 -44.444 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 28 9.337 -42.813 -3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.136 -45.987 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.641 -45.245 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.595 -42.059 -3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.345 -43.087 -4.548 1.00 0.00 H new ATOM 475 N ASN A 29 13.412 -43.959 -6.905 1.00 0.00 N ATOM 476 CA ASN A 29 13.639 -42.581 -7.345 1.00 0.00 C ATOM 477 C ASN A 29 12.415 -41.673 -7.126 1.00 0.00 C ATOM 478 O ASN A 29 11.619 -41.381 -8.018 1.00 0.00 O ATOM 479 CB ASN A 29 14.201 -42.538 -8.788 1.00 0.00 C ATOM 480 CG ASN A 29 15.677 -42.941 -8.776 1.00 0.00 C ATOM 481 OD1 ASN A 29 16.457 -42.468 -7.953 1.00 0.00 O ATOM 482 ND2 ASN A 29 16.133 -43.816 -9.650 1.00 0.00 N ATOM 0 H ASN A 29 12.883 -44.524 -7.569 1.00 0.00 H new ATOM 0 HA ASN A 29 14.410 -42.156 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.635 -43.213 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 29 14.091 -41.536 -9.202 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.116 -44.088 -9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.503 -44.221 -10.342 1.00 0.00 H new ATOM 489 N ASP A 30 12.263 -41.300 -5.850 1.00 0.00 N ATOM 490 CA ASP A 30 11.269 -40.325 -5.404 1.00 0.00 C ATOM 491 C ASP A 30 11.636 -38.879 -5.808 1.00 0.00 C ATOM 492 O ASP A 30 10.773 -38.104 -6.224 1.00 0.00 O ATOM 493 CB ASP A 30 11.136 -40.470 -3.862 1.00 0.00 C ATOM 494 CG ASP A 30 9.757 -40.050 -3.366 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.861 -40.897 -3.371 1.00 0.00 O ATOM 496 OD2 ASP A 30 9.597 -38.902 -2.968 1.00 0.00 O ATOM 0 H ASP A 30 12.835 -41.673 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 30 10.315 -40.526 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.324 -41.505 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.898 -39.862 -3.374 1.00 0.00 H new ATOM 501 N ASP A 31 12.923 -38.526 -5.643 1.00 0.00 N ATOM 502 CA ASP A 31 13.526 -37.220 -5.955 1.00 0.00 C ATOM 503 C ASP A 31 13.009 -36.009 -5.151 1.00 0.00 C ATOM 504 O ASP A 31 13.806 -35.138 -4.799 1.00 0.00 O ATOM 505 CB ASP A 31 13.605 -36.975 -7.489 1.00 0.00 C ATOM 506 CG ASP A 31 14.498 -38.029 -8.149 1.00 0.00 C ATOM 507 OD1 ASP A 31 15.673 -38.131 -7.785 1.00 0.00 O ATOM 508 OD2 ASP A 31 14.006 -38.759 -9.002 1.00 0.00 O ATOM 0 H ASP A 31 13.608 -39.182 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 31 14.547 -37.301 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.605 -37.012 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.001 -35.978 -7.685 1.00 0.00 H new ATOM 513 N GLU A 32 11.703 -35.900 -4.892 1.00 0.00 N ATOM 514 CA GLU A 32 11.158 -35.057 -3.820 1.00 0.00 C ATOM 515 C GLU A 32 11.372 -35.649 -2.394 1.00 0.00 C ATOM 516 O GLU A 32 12.162 -36.581 -2.206 1.00 0.00 O ATOM 517 CB GLU A 32 9.681 -34.695 -4.155 1.00 0.00 C ATOM 518 CG GLU A 32 8.728 -35.914 -4.348 1.00 0.00 C ATOM 519 CD GLU A 32 7.306 -35.494 -4.715 1.00 0.00 C ATOM 520 OE1 GLU A 32 7.063 -35.134 -5.863 1.00 0.00 O ATOM 521 OE2 GLU A 32 6.429 -35.552 -3.850 1.00 0.00 O ATOM 0 H GLU A 32 10.988 -36.397 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 32 11.725 -34.127 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.287 -34.068 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.668 -34.096 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.125 -36.561 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.704 -36.501 -3.430 1.00 0.00 H new ATOM 528 N THR A 33 10.711 -35.119 -1.351 1.00 0.00 N ATOM 529 CA THR A 33 10.907 -35.552 0.042 1.00 0.00 C ATOM 530 C THR A 33 10.278 -36.935 0.323 1.00 0.00 C ATOM 531 O THR A 33 9.062 -37.070 0.500 1.00 0.00 O ATOM 532 CB THR A 33 10.356 -34.481 1.027 1.00 0.00 C ATOM 533 OG1 THR A 33 10.901 -33.214 0.704 1.00 0.00 O ATOM 534 CG2 THR A 33 10.803 -34.687 2.476 1.00 0.00 C ATOM 0 H THR A 33 10.022 -34.374 -1.452 1.00 0.00 H new ATOM 0 HA THR A 33 11.980 -35.657 0.200 1.00 0.00 H new ATOM 0 HB THR A 33 9.272 -34.556 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.552 -32.540 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.379 -33.902 3.103 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.458 -35.659 2.829 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.891 -34.647 2.530 1.00 0.00 H new ATOM 542 N CYS A 34 11.150 -37.953 0.411 1.00 0.00 N ATOM 543 CA CYS A 34 10.782 -39.373 0.502 1.00 0.00 C ATOM 544 C CYS A 34 9.914 -39.715 1.730 1.00 0.00 C ATOM 545 O CYS A 34 8.903 -40.408 1.610 1.00 0.00 O ATOM 546 CB CYS A 34 12.101 -40.196 0.532 1.00 0.00 C ATOM 547 SG CYS A 34 12.149 -41.733 -0.431 1.00 0.00 S ATOM 0 H CYS A 34 12.159 -37.805 0.421 1.00 0.00 H new ATOM 0 HA CYS A 34 10.167 -39.620 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.907 -39.553 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.321 -40.443 1.571 1.00 0.00 H new ATOM 552 N GLU A 35 10.288 -39.196 2.909 1.00 0.00 N ATOM 553 CA GLU A 35 9.558 -39.417 4.163 1.00 0.00 C ATOM 554 C GLU A 35 8.173 -38.734 4.225 1.00 0.00 C ATOM 555 O GLU A 35 7.310 -39.177 4.985 1.00 0.00 O ATOM 556 CB GLU A 35 10.440 -39.024 5.379 1.00 0.00 C ATOM 557 CG GLU A 35 11.744 -39.881 5.452 1.00 0.00 C ATOM 558 CD GLU A 35 12.482 -39.763 6.786 1.00 0.00 C ATOM 559 OE1 GLU A 35 13.213 -38.796 6.979 1.00 0.00 O ATOM 560 OE2 GLU A 35 12.365 -40.682 7.599 1.00 0.00 O ATOM 0 H GLU A 35 11.113 -38.606 3.018 1.00 0.00 H new ATOM 0 HA GLU A 35 9.344 -40.485 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.702 -37.968 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.869 -39.152 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.491 -40.927 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.414 -39.577 4.648 1.00 0.00 H new ATOM 567 N GLU A 36 7.929 -37.676 3.435 1.00 0.00 N ATOM 568 CA GLU A 36 6.606 -37.054 3.289 1.00 0.00 C ATOM 569 C GLU A 36 5.673 -37.942 2.434 1.00 0.00 C ATOM 570 O GLU A 36 4.520 -38.212 2.798 1.00 0.00 O ATOM 571 CB GLU A 36 6.795 -35.665 2.633 1.00 0.00 C ATOM 572 CG GLU A 36 5.505 -34.790 2.645 1.00 0.00 C ATOM 573 CD GLU A 36 5.515 -33.728 1.545 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.293 -32.782 1.629 1.00 0.00 O ATOM 575 OE2 GLU A 36 4.728 -33.878 0.607 1.00 0.00 O ATOM 0 H GLU A 36 8.653 -37.225 2.875 1.00 0.00 H new ATOM 0 HA GLU A 36 6.139 -36.942 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.591 -35.132 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.123 -35.801 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.632 -35.431 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.407 -34.304 3.616 1.00 0.00 H new ATOM 582 N ARG A 37 6.211 -38.411 1.297 1.00 0.00 N ATOM 583 CA ARG A 37 5.572 -39.440 0.479 1.00 0.00 C ATOM 584 C ARG A 37 5.320 -40.729 1.271 1.00 0.00 C ATOM 585 O ARG A 37 4.191 -41.212 1.287 1.00 0.00 O ATOM 586 CB ARG A 37 6.424 -39.712 -0.786 1.00 0.00 C ATOM 587 CG ARG A 37 6.248 -38.621 -1.860 1.00 0.00 C ATOM 588 CD ARG A 37 4.962 -38.807 -2.671 1.00 0.00 C ATOM 589 NE ARG A 37 4.740 -37.579 -3.433 1.00 0.00 N ATOM 590 CZ ARG A 37 3.705 -37.311 -4.176 1.00 0.00 C ATOM 591 NH1 ARG A 37 2.699 -38.085 -4.334 1.00 0.00 N ATOM 592 NH2 ARG A 37 3.717 -36.185 -4.765 1.00 0.00 N ATOM 0 H ARG A 37 7.102 -38.084 0.923 1.00 0.00 H new ATOM 0 HA ARG A 37 4.594 -39.069 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.475 -39.775 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.147 -40.679 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.235 -37.642 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.105 -38.635 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.052 -39.662 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.118 -39.006 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 37 5.465 -36.864 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.670 -38.987 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.926 -37.800 -4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.508 -35.553 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.936 -35.914 -5.362 1.00 0.00 H new ATOM 606 N ALA A 38 6.320 -41.297 1.951 1.00 0.00 N ATOM 607 CA ALA A 38 6.108 -42.405 2.872 1.00 0.00 C ATOM 608 C ALA A 38 5.607 -42.016 4.286 1.00 0.00 C ATOM 609 O ALA A 38 5.772 -42.765 5.254 1.00 0.00 O ATOM 610 CB ALA A 38 7.379 -43.233 2.864 1.00 0.00 C ATOM 0 H ALA A 38 7.293 -41.000 1.876 1.00 0.00 H new ATOM 0 HA ALA A 38 5.265 -43.000 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.267 -44.078 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.568 -43.600 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.217 -42.616 3.188 1.00 0.00 H new ATOM 616 N ALA A 39 5.086 -40.804 4.506 1.00 0.00 N ATOM 617 CA ALA A 39 3.935 -40.595 5.387 1.00 0.00 C ATOM 618 C ALA A 39 2.598 -40.962 4.711 1.00 0.00 C ATOM 619 O ALA A 39 1.797 -41.678 5.313 1.00 0.00 O ATOM 620 CB ALA A 39 3.929 -39.142 5.900 1.00 0.00 C ATOM 0 H ALA A 39 5.447 -39.949 4.083 1.00 0.00 H new ATOM 0 HA ALA A 39 4.037 -41.271 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.071 -38.991 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.847 -38.948 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.864 -38.458 5.054 1.00 0.00 H new ATOM 626 N ARG A 40 2.330 -40.496 3.477 1.00 0.00 N ATOM 627 CA ARG A 40 1.081 -40.838 2.769 1.00 0.00 C ATOM 628 C ARG A 40 1.029 -42.226 2.068 1.00 0.00 C ATOM 629 O ARG A 40 -0.025 -42.591 1.529 1.00 0.00 O ATOM 630 CB ARG A 40 0.604 -39.671 1.845 1.00 0.00 C ATOM 631 CG ARG A 40 1.638 -39.115 0.840 1.00 0.00 C ATOM 632 CD ARG A 40 1.039 -38.056 -0.101 1.00 0.00 C ATOM 633 NE ARG A 40 2.125 -37.382 -0.821 1.00 0.00 N ATOM 634 CZ ARG A 40 2.777 -36.330 -0.410 1.00 0.00 C ATOM 635 NH1 ARG A 40 2.495 -35.642 0.628 1.00 0.00 N ATOM 636 NH2 ARG A 40 3.770 -35.910 -1.083 1.00 0.00 N ATOM 0 H ARG A 40 2.956 -39.886 2.952 1.00 0.00 H new ATOM 0 HA ARG A 40 0.355 -40.961 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.265 -40.015 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.270 -38.850 2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.473 -38.678 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.041 -39.936 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.354 -38.525 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.460 -37.330 0.470 1.00 0.00 H new ATOM 0 HE ARG A 40 2.394 -37.771 -1.724 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.701 -35.903 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.064 -34.831 0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.050 -36.395 -1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.287 -35.088 -0.771 1.00 0.00 H new ATOM 650 N ILE A 41 2.113 -43.025 2.043 1.00 0.00 N ATOM 651 CA ILE A 41 2.129 -44.424 1.580 1.00 0.00 C ATOM 652 C ILE A 41 1.418 -45.390 2.562 1.00 0.00 C ATOM 653 O ILE A 41 1.942 -46.156 3.365 1.00 0.00 O ATOM 654 CB ILE A 41 3.527 -44.906 1.024 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.854 -43.941 -0.161 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.413 -46.380 0.593 1.00 0.00 C ATOM 657 CD1 ILE A 41 5.100 -43.996 -1.032 1.00 0.00 C ATOM 0 H ILE A 41 3.030 -42.704 2.354 1.00 0.00 H new ATOM 0 HA ILE A 41 1.506 -44.456 0.686 1.00 0.00 H new ATOM 0 HB ILE A 41 4.331 -44.869 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.010 -44.018 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.832 -42.936 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.374 -46.722 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.129 -46.989 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.656 -46.474 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.058 -43.201 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.985 -43.864 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.150 -44.962 -1.534 1.00 0.00 H new ATOM 669 N LYS A 42 0.121 -45.358 2.306 1.00 0.00 N ATOM 670 CA LYS A 42 -0.957 -45.950 3.105 1.00 0.00 C ATOM 671 C LYS A 42 -1.162 -47.482 2.987 1.00 0.00 C ATOM 672 O LYS A 42 -2.175 -48.008 3.452 1.00 0.00 O ATOM 673 CB LYS A 42 -2.248 -45.165 2.739 1.00 0.00 C ATOM 674 CG LYS A 42 -2.689 -45.295 1.253 1.00 0.00 C ATOM 675 CD LYS A 42 -3.796 -44.294 0.854 1.00 0.00 C ATOM 676 CE LYS A 42 -3.311 -42.997 0.178 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.544 -42.165 1.100 1.00 0.00 N ATOM 0 H LYS A 42 -0.240 -44.886 1.477 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.678 -45.852 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.061 -45.512 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.092 -44.110 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.822 -45.143 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.045 -46.310 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.489 -44.797 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.359 -44.027 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.696 -43.245 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.169 -42.436 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.364 -41.238 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.083 -42.035 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.638 -42.628 1.314 1.00 0.00 H new ATOM 691 N ILE A 43 -0.199 -48.217 2.412 1.00 0.00 N ATOM 692 CA ILE A 43 -0.332 -49.649 2.099 1.00 0.00 C ATOM 693 C ILE A 43 -0.391 -50.584 3.335 1.00 0.00 C ATOM 694 O ILE A 43 -1.154 -51.553 3.327 1.00 0.00 O ATOM 695 CB ILE A 43 0.760 -50.057 1.046 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.456 -51.452 0.425 1.00 0.00 C ATOM 697 CG2 ILE A 43 2.200 -50.023 1.628 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.218 -51.751 -0.886 1.00 0.00 C ATOM 0 H ILE A 43 0.707 -47.829 2.147 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.316 -49.794 1.652 1.00 0.00 H new ATOM 0 HB ILE A 43 0.715 -49.307 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.701 -52.222 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.614 -51.524 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.912 -50.314 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.430 -49.014 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.270 -50.717 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.946 -52.743 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.955 -51.006 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.291 -51.715 -0.699 1.00 0.00 H new ATOM 710 N GLY A 44 0.367 -50.319 4.410 1.00 0.00 N ATOM 711 CA GLY A 44 0.316 -51.127 5.641 1.00 0.00 C ATOM 712 C GLY A 44 1.272 -50.642 6.752 1.00 0.00 C ATOM 713 O GLY A 44 2.417 -50.375 6.390 1.00 0.00 O ATOM 0 H GLY A 44 1.029 -49.544 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.704 -51.120 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.557 -52.161 5.395 1.00 0.00 H new ATOM 717 N PRO A 45 0.939 -50.536 8.068 1.00 0.00 N ATOM 718 CA PRO A 45 1.780 -49.923 9.129 1.00 0.00 C ATOM 719 C PRO A 45 3.261 -50.358 9.225 1.00 0.00 C ATOM 720 O PRO A 45 4.157 -49.508 9.175 1.00 0.00 O ATOM 721 CB PRO A 45 1.026 -50.272 10.425 1.00 0.00 C ATOM 722 CG PRO A 45 -0.414 -50.260 9.972 1.00 0.00 C ATOM 723 CD PRO A 45 -0.340 -50.987 8.634 1.00 0.00 C ATOM 0 HA PRO A 45 1.893 -48.861 8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.321 -51.245 10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.211 -49.541 11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.067 -50.773 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.798 -49.246 9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.362 -52.069 8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.179 -50.726 7.989 1.00 0.00 H new ATOM 731 N LYS A 46 3.532 -51.667 9.354 1.00 0.00 N ATOM 732 CA LYS A 46 4.894 -52.217 9.379 1.00 0.00 C ATOM 733 C LYS A 46 5.643 -52.062 8.036 1.00 0.00 C ATOM 734 O LYS A 46 6.869 -51.889 8.018 1.00 0.00 O ATOM 735 CB LYS A 46 4.858 -53.705 9.801 1.00 0.00 C ATOM 736 CG LYS A 46 4.418 -53.939 11.267 1.00 0.00 C ATOM 737 CD LYS A 46 4.371 -55.439 11.657 1.00 0.00 C ATOM 738 CE LYS A 46 5.752 -56.085 11.827 1.00 0.00 C ATOM 739 NZ LYS A 46 5.554 -57.497 12.125 1.00 0.00 N ATOM 0 H LYS A 46 2.806 -52.377 9.444 1.00 0.00 H new ATOM 0 HA LYS A 46 5.451 -51.634 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.178 -54.242 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.849 -54.136 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.105 -53.418 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.432 -53.499 11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.815 -55.544 12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.818 -55.985 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.343 -55.966 10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.304 -55.599 12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.478 -57.959 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.002 -57.593 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.040 -57.948 11.341 1.00 0.00 H new ATOM 753 N CYS A 47 4.875 -52.087 6.931 1.00 0.00 N ATOM 754 CA CYS A 47 5.378 -51.868 5.576 1.00 0.00 C ATOM 755 C CYS A 47 5.846 -50.407 5.467 1.00 0.00 C ATOM 756 O CYS A 47 7.046 -50.246 5.249 1.00 0.00 O ATOM 757 CB CYS A 47 4.273 -52.220 4.537 1.00 0.00 C ATOM 758 SG CYS A 47 4.754 -52.801 2.882 1.00 0.00 S ATOM 0 H CYS A 47 3.871 -52.264 6.963 1.00 0.00 H new ATOM 0 HA CYS A 47 6.227 -52.518 5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.639 -52.987 4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.654 -51.333 4.405 1.00 0.00 H new ATOM 763 N VAL A 48 5.007 -49.355 5.653 1.00 0.00 N ATOM 764 CA VAL A 48 5.482 -47.973 5.791 1.00 0.00 C ATOM 765 C VAL A 48 6.634 -47.773 6.773 1.00 0.00 C ATOM 766 O VAL A 48 7.511 -47.002 6.427 1.00 0.00 O ATOM 767 CB VAL A 48 4.419 -46.892 6.167 1.00 0.00 C ATOM 768 CG1 VAL A 48 4.510 -45.783 5.134 1.00 0.00 C ATOM 769 CG2 VAL A 48 2.977 -47.350 6.259 1.00 0.00 C ATOM 0 H VAL A 48 3.993 -49.450 5.710 1.00 0.00 H new ATOM 0 HA VAL A 48 5.807 -47.819 4.762 1.00 0.00 H new ATOM 0 HB VAL A 48 4.668 -46.581 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.779 -45.008 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.512 -45.353 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.305 -46.190 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.343 -46.505 6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.660 -47.750 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.889 -48.125 7.021 1.00 0.00 H new ATOM 779 N LYS A 49 6.664 -48.380 7.967 1.00 0.00 N ATOM 780 CA LYS A 49 7.830 -48.298 8.868 1.00 0.00 C ATOM 781 C LYS A 49 9.166 -48.704 8.186 1.00 0.00 C ATOM 782 O LYS A 49 10.063 -47.861 8.028 1.00 0.00 O ATOM 783 CB LYS A 49 7.532 -49.174 10.107 1.00 0.00 C ATOM 784 CG LYS A 49 8.568 -49.048 11.241 1.00 0.00 C ATOM 785 CD LYS A 49 8.511 -50.289 12.145 1.00 0.00 C ATOM 786 CE LYS A 49 9.584 -50.223 13.219 1.00 0.00 C ATOM 787 NZ LYS A 49 9.773 -51.572 13.732 1.00 0.00 N ATOM 0 H LYS A 49 5.893 -48.936 8.336 1.00 0.00 H new ATOM 0 HA LYS A 49 7.975 -47.258 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.550 -48.907 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.478 -50.217 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.568 -48.940 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.370 -48.151 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.528 -50.361 12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.646 -51.189 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.516 -49.836 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.284 -49.547 14.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.683 -51.629 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.002 -51.805 14.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.770 -52.248 12.941 1.00 0.00 H new ATOM 801 N ALA A 50 9.258 -49.966 7.719 1.00 0.00 N ATOM 802 CA ALA A 50 10.415 -50.482 6.971 1.00 0.00 C ATOM 803 C ALA A 50 10.724 -49.615 5.729 1.00 0.00 C ATOM 804 O ALA A 50 11.829 -49.084 5.586 1.00 0.00 O ATOM 805 CB ALA A 50 10.067 -51.935 6.582 1.00 0.00 C ATOM 0 H ALA A 50 8.522 -50.660 7.854 1.00 0.00 H new ATOM 0 HA ALA A 50 11.319 -50.449 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.895 -52.370 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.892 -52.521 7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.168 -51.941 5.965 1.00 0.00 H new ATOM 811 N PHE A 51 9.696 -49.392 4.898 1.00 0.00 N ATOM 812 CA PHE A 51 9.763 -48.572 3.688 1.00 0.00 C ATOM 813 C PHE A 51 10.185 -47.116 3.942 1.00 0.00 C ATOM 814 O PHE A 51 11.050 -46.638 3.213 1.00 0.00 O ATOM 815 CB PHE A 51 8.363 -48.657 3.059 1.00 0.00 C ATOM 816 CG PHE A 51 8.180 -47.878 1.762 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.478 -48.458 0.543 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.524 -46.665 1.757 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.141 -47.856 -0.649 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.165 -46.069 0.581 1.00 0.00 C ATOM 821 CZ PHE A 51 7.478 -46.652 -0.630 1.00 0.00 C ATOM 0 H PHE A 51 8.770 -49.790 5.057 1.00 0.00 H new ATOM 0 HA PHE A 51 10.540 -48.950 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.132 -49.705 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.635 -48.296 3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.989 -49.409 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.291 -46.180 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.395 -48.325 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.630 -45.131 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.204 -46.166 -1.555 1.00 0.00 H new ATOM 831 N LYS A 52 9.631 -46.411 4.945 1.00 0.00 N ATOM 832 CA LYS A 52 9.988 -45.026 5.263 1.00 0.00 C ATOM 833 C LYS A 52 11.459 -44.912 5.710 1.00 0.00 C ATOM 834 O LYS A 52 12.163 -43.982 5.300 1.00 0.00 O ATOM 835 CB LYS A 52 9.096 -44.453 6.402 1.00 0.00 C ATOM 836 CG LYS A 52 9.208 -42.923 6.608 1.00 0.00 C ATOM 837 CD LYS A 52 8.795 -42.448 8.022 1.00 0.00 C ATOM 838 CE LYS A 52 7.332 -42.646 8.440 1.00 0.00 C ATOM 839 NZ LYS A 52 6.456 -41.872 7.571 1.00 0.00 N ATOM 0 H LYS A 52 8.915 -46.796 5.561 1.00 0.00 H new ATOM 0 HA LYS A 52 9.832 -44.454 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.056 -44.702 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.359 -44.951 7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.236 -42.615 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.583 -42.420 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.424 -42.965 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.026 -41.386 8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.070 -43.703 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.196 -42.336 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.474 -41.958 7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.742 -40.872 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.526 -42.233 6.598 1.00 0.00 H new ATOM 853 N ASP A 53 11.930 -45.851 6.558 1.00 0.00 N ATOM 854 CA ASP A 53 13.333 -45.855 6.980 1.00 0.00 C ATOM 855 C ASP A 53 14.328 -46.175 5.838 1.00 0.00 C ATOM 856 O ASP A 53 15.366 -45.509 5.710 1.00 0.00 O ATOM 857 CB ASP A 53 13.481 -46.758 8.231 1.00 0.00 C ATOM 858 CG ASP A 53 12.939 -46.052 9.471 1.00 0.00 C ATOM 859 OD1 ASP A 53 13.514 -45.031 9.859 1.00 0.00 O ATOM 860 OD2 ASP A 53 11.970 -46.522 10.052 1.00 0.00 O ATOM 0 H ASP A 53 11.364 -46.601 6.954 1.00 0.00 H new ATOM 0 HA ASP A 53 13.616 -44.841 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.945 -47.694 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.530 -47.012 8.380 1.00 0.00 H new ATOM 865 N CYS A 54 14.040 -47.168 4.986 1.00 0.00 N ATOM 866 CA CYS A 54 14.776 -47.352 3.731 1.00 0.00 C ATOM 867 C CYS A 54 14.614 -46.200 2.702 1.00 0.00 C ATOM 868 O CYS A 54 15.568 -45.924 1.969 1.00 0.00 O ATOM 869 CB CYS A 54 14.417 -48.712 3.122 1.00 0.00 C ATOM 870 SG CYS A 54 15.311 -50.177 3.726 1.00 0.00 S ATOM 0 H CYS A 54 13.303 -47.855 5.144 1.00 0.00 H new ATOM 0 HA CYS A 54 15.835 -47.327 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.352 -48.880 3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.570 -48.647 2.045 1.00 0.00 H new ATOM 875 N CYS A 55 13.454 -45.521 2.606 1.00 0.00 N ATOM 876 CA CYS A 55 13.271 -44.273 1.837 1.00 0.00 C ATOM 877 C CYS A 55 14.188 -43.145 2.360 1.00 0.00 C ATOM 878 O CYS A 55 14.768 -42.395 1.575 1.00 0.00 O ATOM 879 CB CYS A 55 11.782 -43.820 1.933 1.00 0.00 C ATOM 880 SG CYS A 55 10.972 -43.104 0.474 1.00 0.00 S ATOM 0 H CYS A 55 12.600 -45.831 3.070 1.00 0.00 H new ATOM 0 HA CYS A 55 13.539 -44.471 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.196 -44.686 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.714 -43.087 2.737 1.00 0.00 H new ATOM 885 N TYR A 56 14.326 -43.018 3.689 1.00 0.00 N ATOM 886 CA TYR A 56 15.360 -42.200 4.332 1.00 0.00 C ATOM 887 C TYR A 56 16.787 -42.566 3.868 1.00 0.00 C ATOM 888 O TYR A 56 17.544 -41.648 3.551 1.00 0.00 O ATOM 889 CB TYR A 56 15.156 -42.343 5.862 1.00 0.00 C ATOM 890 CG TYR A 56 16.338 -41.878 6.723 1.00 0.00 C ATOM 891 CD1 TYR A 56 16.604 -40.542 6.975 1.00 0.00 C ATOM 892 CD2 TYR A 56 17.179 -42.815 7.293 1.00 0.00 C ATOM 893 CE1 TYR A 56 17.675 -40.160 7.763 1.00 0.00 C ATOM 894 CE2 TYR A 56 18.246 -42.442 8.077 1.00 0.00 C ATOM 895 CZ TYR A 56 18.499 -41.116 8.311 1.00 0.00 C ATOM 896 OH TYR A 56 19.581 -40.772 9.058 1.00 0.00 O ATOM 0 H TYR A 56 13.712 -43.488 4.354 1.00 0.00 H new ATOM 0 HA TYR A 56 15.257 -41.155 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.271 -41.775 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.951 -43.389 6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.963 -39.784 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.994 -43.865 7.119 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.864 -39.113 7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.886 -43.197 8.509 1.00 0.00 H new ATOM 0 HH TYR A 56 19.362 -40.857 10.009 1.00 0.00 H new ATOM 906 N ILE A 57 17.172 -43.856 3.809 1.00 0.00 N ATOM 907 CA ILE A 57 18.436 -44.276 3.161 1.00 0.00 C ATOM 908 C ILE A 57 18.547 -43.844 1.688 1.00 0.00 C ATOM 909 O ILE A 57 19.567 -43.271 1.299 1.00 0.00 O ATOM 910 CB ILE A 57 18.672 -45.824 3.303 1.00 0.00 C ATOM 911 CG1 ILE A 57 18.708 -46.308 4.770 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.919 -46.375 2.558 1.00 0.00 C ATOM 913 CD1 ILE A 57 19.642 -45.499 5.687 1.00 0.00 C ATOM 0 H ILE A 57 16.629 -44.626 4.200 1.00 0.00 H new ATOM 0 HA ILE A 57 19.225 -43.750 3.698 1.00 0.00 H new ATOM 0 HB ILE A 57 17.792 -46.236 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.698 -46.269 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.019 -47.353 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.993 -47.451 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.824 -46.173 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.816 -45.889 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.604 -45.908 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.663 -45.558 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.321 -44.457 5.705 1.00 0.00 H new ATOM 925 N ALA A 58 17.504 -44.098 0.891 1.00 0.00 N ATOM 926 CA ALA A 58 17.412 -43.628 -0.502 1.00 0.00 C ATOM 927 C ALA A 58 17.582 -42.096 -0.641 1.00 0.00 C ATOM 928 O ALA A 58 18.353 -41.636 -1.485 1.00 0.00 O ATOM 929 CB ALA A 58 16.075 -44.079 -1.115 1.00 0.00 C ATOM 0 H ALA A 58 16.693 -44.638 1.193 1.00 0.00 H new ATOM 0 HA ALA A 58 18.242 -44.078 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.011 -43.729 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.015 -45.167 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.251 -43.660 -0.538 1.00 0.00 H new ATOM 935 N ASN A 59 16.886 -41.306 0.195 1.00 0.00 N ATOM 936 CA ASN A 59 17.044 -39.849 0.279 1.00 0.00 C ATOM 937 C ASN A 59 18.437 -39.414 0.794 1.00 0.00 C ATOM 938 O ASN A 59 18.955 -38.398 0.324 1.00 0.00 O ATOM 939 CB ASN A 59 15.924 -39.283 1.201 1.00 0.00 C ATOM 940 CG ASN A 59 15.510 -37.849 0.855 1.00 0.00 C ATOM 941 OD1 ASN A 59 14.323 -37.546 0.804 1.00 0.00 O ATOM 942 ND2 ASN A 59 16.395 -36.900 0.615 1.00 0.00 N ATOM 0 H ASN A 59 16.187 -41.671 0.841 1.00 0.00 H new ATOM 0 HA ASN A 59 16.959 -39.445 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.050 -39.930 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.267 -39.314 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.082 -35.954 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.392 -37.112 0.648 1.00 0.00 H new ATOM 949 N GLN A 60 19.028 -40.129 1.766 1.00 0.00 N ATOM 950 CA GLN A 60 20.399 -39.894 2.234 1.00 0.00 C ATOM 951 C GLN A 60 21.453 -40.183 1.144 1.00 0.00 C ATOM 952 O GLN A 60 22.347 -39.359 0.946 1.00 0.00 O ATOM 953 CB GLN A 60 20.657 -40.769 3.494 1.00 0.00 C ATOM 954 CG GLN A 60 21.887 -40.353 4.349 1.00 0.00 C ATOM 955 CD GLN A 60 21.626 -39.062 5.127 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.066 -37.983 4.753 1.00 0.00 O ATOM 957 NE2 GLN A 60 20.914 -39.100 6.237 1.00 0.00 N ATOM 0 H GLN A 60 18.560 -40.894 2.252 1.00 0.00 H new ATOM 0 HA GLN A 60 20.498 -38.838 2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.769 -40.739 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.788 -41.804 3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.133 -41.154 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.752 -40.218 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.536 -39.987 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.742 -38.243 6.762 1.00 0.00 H new ATOM 966 N VAL A 61 21.365 -41.317 0.425 1.00 0.00 N ATOM 967 CA VAL A 61 22.240 -41.623 -0.722 1.00 0.00 C ATOM 968 C VAL A 61 22.067 -40.614 -1.879 1.00 0.00 C ATOM 969 O VAL A 61 23.053 -40.237 -2.517 1.00 0.00 O ATOM 970 CB VAL A 61 22.030 -43.108 -1.182 1.00 0.00 C ATOM 971 CG1 VAL A 61 22.801 -43.508 -2.462 1.00 0.00 C ATOM 972 CG2 VAL A 61 22.477 -44.093 -0.081 1.00 0.00 C ATOM 0 H VAL A 61 20.683 -42.049 0.624 1.00 0.00 H new ATOM 0 HA VAL A 61 23.275 -41.517 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 61 20.962 -43.166 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.593 -44.551 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.483 -42.876 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.871 -43.380 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.322 -45.116 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.534 -43.940 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.891 -43.920 0.822 1.00 0.00 H new ATOM 982 N ARG A 62 20.834 -40.157 -2.149 1.00 0.00 N ATOM 983 CA ARG A 62 20.555 -39.078 -3.104 1.00 0.00 C ATOM 984 C ARG A 62 21.230 -37.738 -2.731 1.00 0.00 C ATOM 985 O ARG A 62 21.711 -37.025 -3.614 1.00 0.00 O ATOM 986 CB ARG A 62 19.022 -38.905 -3.179 1.00 0.00 C ATOM 987 CG ARG A 62 18.518 -38.320 -4.514 1.00 0.00 C ATOM 988 CD ARG A 62 16.990 -38.108 -4.532 1.00 0.00 C ATOM 989 NE ARG A 62 16.277 -39.343 -4.170 1.00 0.00 N ATOM 990 CZ ARG A 62 16.135 -40.404 -4.916 1.00 0.00 C ATOM 991 NH1 ARG A 62 16.300 -40.422 -6.189 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.754 -41.462 -4.313 1.00 0.00 N ATOM 0 H ARG A 62 19.996 -40.531 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 62 20.974 -39.357 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.550 -39.874 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 62 18.700 -38.255 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.015 -37.368 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.797 -38.989 -5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.722 -37.313 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.677 -37.782 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 62 15.851 -39.373 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.560 -39.567 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.171 -41.291 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.581 -41.442 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.623 -42.328 -4.836 1.00 0.00 H new ATOM 1006 N ALA A 63 21.261 -37.380 -1.437 1.00 0.00 N ATOM 1007 CA ALA A 63 22.009 -36.223 -0.941 1.00 0.00 C ATOM 1008 C ALA A 63 23.530 -36.466 -0.833 1.00 0.00 C ATOM 1009 O ALA A 63 24.310 -35.681 -1.378 1.00 0.00 O ATOM 1010 CB ALA A 63 21.414 -35.808 0.421 1.00 0.00 C ATOM 0 H ALA A 63 20.765 -37.890 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 63 21.904 -35.418 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.958 -34.946 0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.363 -35.547 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.500 -36.637 1.123 1.00 0.00 H new ATOM 1016 N GLU A 64 23.991 -37.537 -0.164 1.00 0.00 N ATOM 1017 CA GLU A 64 25.421 -37.807 0.028 1.00 0.00 C ATOM 1018 C GLU A 64 26.073 -38.438 -1.229 1.00 0.00 C ATOM 1019 O GLU A 64 26.353 -39.636 -1.325 1.00 0.00 O ATOM 1020 CB GLU A 64 25.589 -38.675 1.311 1.00 0.00 C ATOM 1021 CG GLU A 64 27.055 -38.832 1.838 1.00 0.00 C ATOM 1022 CD GLU A 64 27.655 -37.529 2.373 1.00 0.00 C ATOM 1023 OE1 GLU A 64 27.423 -37.215 3.537 1.00 0.00 O ATOM 1024 OE2 GLU A 64 28.361 -36.858 1.624 1.00 0.00 O ATOM 0 H GLU A 64 23.381 -38.237 0.257 1.00 0.00 H new ATOM 0 HA GLU A 64 25.957 -36.869 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 24.982 -38.239 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 64 25.186 -39.668 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.070 -39.581 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.684 -39.208 1.031 1.00 0.00 H new ATOM 1031 N GLN A 65 26.268 -37.588 -2.239 1.00 0.00 N ATOM 1032 CA GLN A 65 26.998 -37.944 -3.458 1.00 0.00 C ATOM 1033 C GLN A 65 28.460 -37.444 -3.464 1.00 0.00 C ATOM 1034 O GLN A 65 29.352 -38.273 -3.638 1.00 0.00 O ATOM 1035 CB GLN A 65 26.217 -37.405 -4.697 1.00 0.00 C ATOM 1036 CG GLN A 65 24.844 -38.091 -4.971 1.00 0.00 C ATOM 1037 CD GLN A 65 25.005 -39.544 -5.430 1.00 0.00 C ATOM 1038 OE1 GLN A 65 25.551 -39.827 -6.488 1.00 0.00 O ATOM 1039 NE2 GLN A 65 24.549 -40.533 -4.688 1.00 0.00 N ATOM 0 H GLN A 65 25.922 -36.628 -2.235 1.00 0.00 H new ATOM 0 HA GLN A 65 27.061 -39.031 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 65 26.050 -36.336 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 65 26.845 -37.521 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.238 -38.063 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.304 -37.529 -5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.088 -40.334 -3.800 1.00 0.00 H new ATOM 0 HE22 GLN A 65 24.657 -41.498 -5.002 1.00 0.00 H new ATOM 1048 N SER A 66 28.699 -36.244 -3.307 1.00 0.00 N TER 1049 SER A 66