USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 601 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 10 GLN : amide:sc= -1.72 K(o=-1.3,f=0.1!) USER MOD Set 1.2: A 54 THR OG1 : rot 170:sc= 0.411 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.291 (180deg=0.19) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0866 K(o=-0.087,f=-2.1!) USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0474 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00477 X(o=-0.0048,f=-0.0048) USER MOD Single : A 30 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.16) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -171:sc= 0 (180deg=-0.0594) USER MOD Single : A 43 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.11) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.193 (180deg=-0.776) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 3.500 -0.545 -1.015 1.00 0.00 C ATOM 4 O MET A 1 4.164 -0.186 -0.044 1.00 0.00 O ATOM 5 CB MET A 1 2.168 1.414 -1.821 1.00 0.00 C ATOM 6 CG MET A 1 1.018 1.749 -2.757 1.00 0.00 C ATOM 7 SD MET A 1 -0.518 2.089 -1.876 1.00 0.00 S ATOM 8 CE MET A 1 -0.966 3.676 -2.577 1.00 0.00 C ATOM 0 H1 MET A 1 0.502 0.623 -0.101 1.00 0.00 H new ATOM 0 H2 MET A 1 1.010 -0.967 0.212 1.00 0.00 H new ATOM 0 H3 MET A 1 1.929 0.345 0.776 1.00 0.00 H new ATOM 0 HA MET A 1 1.582 -0.650 -1.953 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.180 2.133 -1.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.109 1.528 -2.359 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.286 2.617 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.861 0.919 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.899 4.021 -2.131 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.177 4.400 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.095 3.574 -3.655 1.00 0.00 H new ATOM 18 N ALA A 2 3.946 -1.413 -1.917 1.00 0.00 N ATOM 19 CA ALA A 2 5.275 -2.004 -1.816 1.00 0.00 C ATOM 20 C ALA A 2 6.321 -1.124 -2.492 1.00 0.00 C ATOM 21 O ALA A 2 6.005 -0.346 -3.392 1.00 0.00 O ATOM 22 CB ALA A 2 5.280 -3.398 -2.427 1.00 0.00 C ATOM 0 H ALA A 2 3.407 -1.723 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 2 5.532 -2.081 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.278 -3.828 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.568 -4.030 -1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.997 -3.336 -3.478 1.00 0.00 H new ATOM 28 N LYS A 3 7.568 -1.252 -2.052 1.00 0.00 N ATOM 29 CA LYS A 3 8.662 -0.469 -2.614 1.00 0.00 C ATOM 30 C LYS A 3 9.993 -0.862 -1.981 1.00 0.00 C ATOM 31 O LYS A 3 10.056 -1.782 -1.166 1.00 0.00 O ATOM 32 CB LYS A 3 8.407 1.025 -2.406 1.00 0.00 C ATOM 33 CG LYS A 3 8.156 1.403 -0.956 1.00 0.00 C ATOM 34 CD LYS A 3 7.440 2.739 -0.844 1.00 0.00 C ATOM 35 CE LYS A 3 5.986 2.630 -1.277 1.00 0.00 C ATOM 36 NZ LYS A 3 5.119 3.605 -0.560 1.00 0.00 N ATOM 0 H LYS A 3 7.846 -1.891 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 3 8.713 -0.677 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.265 1.586 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.547 1.325 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.559 0.628 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.105 1.452 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.489 3.094 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.950 3.479 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.913 2.801 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.626 1.618 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.136 3.499 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.168 3.426 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.446 4.572 -0.759 1.00 0.00 H new ATOM 50 N ASP A 4 11.054 -0.157 -2.360 1.00 0.00 N ATOM 51 CA ASP A 4 12.383 -0.430 -1.827 1.00 0.00 C ATOM 52 C ASP A 4 12.411 -0.244 -0.313 1.00 0.00 C ATOM 53 O ASP A 4 11.371 -0.049 0.317 1.00 0.00 O ATOM 54 CB ASP A 4 13.418 0.485 -2.485 1.00 0.00 C ATOM 55 CG ASP A 4 13.425 0.358 -3.996 1.00 0.00 C ATOM 56 OD1 ASP A 4 13.151 -0.752 -4.499 1.00 0.00 O ATOM 57 OD2 ASP A 4 13.705 1.368 -4.675 1.00 0.00 O ATOM 0 H ASP A 4 11.019 0.608 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 4 12.631 -1.467 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.211 1.519 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 4 14.409 0.245 -2.098 1.00 0.00 H new ATOM 62 N ASP A 5 13.606 -0.305 0.263 1.00 0.00 N ATOM 63 CA ASP A 5 13.769 -0.143 1.703 1.00 0.00 C ATOM 64 C ASP A 5 14.132 1.297 2.051 1.00 0.00 C ATOM 65 O ASP A 5 14.750 1.562 3.081 1.00 0.00 O ATOM 66 CB ASP A 5 14.848 -1.094 2.226 1.00 0.00 C ATOM 67 CG ASP A 5 14.855 -1.184 3.739 1.00 0.00 C ATOM 68 OD1 ASP A 5 13.919 -0.651 4.371 1.00 0.00 O ATOM 69 OD2 ASP A 5 15.798 -1.789 4.292 1.00 0.00 O ATOM 0 H ASP A 5 14.476 -0.465 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 5 12.819 -0.385 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.687 -2.087 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.825 -0.756 1.880 1.00 0.00 H new ATOM 74 N VAL A 6 13.743 2.226 1.182 1.00 0.00 N ATOM 75 CA VAL A 6 14.026 3.640 1.397 1.00 0.00 C ATOM 76 C VAL A 6 12.904 4.313 2.178 1.00 0.00 C ATOM 77 O VAL A 6 11.726 4.153 1.854 1.00 0.00 O ATOM 78 CB VAL A 6 14.224 4.381 0.061 1.00 0.00 C ATOM 79 CG1 VAL A 6 15.458 3.862 -0.661 1.00 0.00 C ATOM 80 CG2 VAL A 6 12.987 4.243 -0.813 1.00 0.00 C ATOM 0 H VAL A 6 13.231 2.024 0.323 1.00 0.00 H new ATOM 0 HA VAL A 6 14.949 3.694 1.975 1.00 0.00 H new ATOM 0 HB VAL A 6 14.375 5.440 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.581 4.398 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.338 4.019 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.341 2.797 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.144 4.773 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.802 3.188 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.127 4.669 -0.296 1.00 0.00 H new ATOM 90 N ILE A 7 13.276 5.067 3.207 1.00 0.00 N ATOM 91 CA ILE A 7 12.300 5.766 4.033 1.00 0.00 C ATOM 92 C ILE A 7 12.755 7.190 4.335 1.00 0.00 C ATOM 93 O ILE A 7 13.868 7.408 4.810 1.00 0.00 O ATOM 94 CB ILE A 7 12.053 5.026 5.361 1.00 0.00 C ATOM 95 CG1 ILE A 7 13.363 4.875 6.137 1.00 0.00 C ATOM 96 CG2 ILE A 7 11.425 3.665 5.100 1.00 0.00 C ATOM 97 CD1 ILE A 7 13.459 5.780 7.344 1.00 0.00 C ATOM 0 H ILE A 7 14.246 5.209 3.488 1.00 0.00 H new ATOM 0 HA ILE A 7 11.370 5.796 3.465 1.00 0.00 H new ATOM 0 HB ILE A 7 11.361 5.614 5.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.467 3.839 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.198 5.085 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.257 3.154 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.474 3.796 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.094 3.068 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.414 5.618 7.845 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.388 6.820 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.645 5.555 8.033 1.00 0.00 H new ATOM 109 N GLN A 8 11.884 8.155 4.056 1.00 0.00 N ATOM 110 CA GLN A 8 12.196 9.559 4.299 1.00 0.00 C ATOM 111 C GLN A 8 11.900 9.940 5.745 1.00 0.00 C ATOM 112 O GLN A 8 10.770 9.804 6.214 1.00 0.00 O ATOM 113 CB GLN A 8 11.397 10.453 3.349 1.00 0.00 C ATOM 114 CG GLN A 8 9.891 10.318 3.509 1.00 0.00 C ATOM 115 CD GLN A 8 9.122 11.035 2.418 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.473 12.147 2.023 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.065 10.400 1.923 1.00 0.00 N ATOM 0 H GLN A 8 10.958 7.991 3.662 1.00 0.00 H new ATOM 0 HA GLN A 8 13.260 9.706 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.680 11.492 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.668 10.211 2.321 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.622 9.262 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.595 10.717 4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.810 9.479 2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.509 10.833 1.186 1.00 0.00 H new ATOM 126 N MET A 9 12.922 10.418 6.448 1.00 0.00 N ATOM 127 CA MET A 9 12.770 10.819 7.841 1.00 0.00 C ATOM 128 C MET A 9 12.882 12.334 7.986 1.00 0.00 C ATOM 129 O MET A 9 13.523 12.997 7.172 1.00 0.00 O ATOM 130 CB MET A 9 13.825 10.133 8.711 1.00 0.00 C ATOM 131 CG MET A 9 13.364 8.806 9.291 1.00 0.00 C ATOM 132 SD MET A 9 12.419 9.004 10.814 1.00 0.00 S ATOM 133 CE MET A 9 11.945 7.309 11.141 1.00 0.00 C ATOM 0 H MET A 9 13.864 10.537 6.075 1.00 0.00 H new ATOM 0 HA MET A 9 11.779 10.511 8.175 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.723 9.968 8.116 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.101 10.801 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.753 8.285 8.554 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.233 8.178 9.486 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.353 7.267 12.055 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.354 6.929 10.308 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.839 6.697 11.260 1.00 0.00 H new ATOM 143 N GLN A 10 12.254 12.873 9.026 1.00 0.00 N ATOM 144 CA GLN A 10 12.283 14.309 9.275 1.00 0.00 C ATOM 145 C GLN A 10 13.210 14.641 10.440 1.00 0.00 C ATOM 146 O GLN A 10 12.911 14.329 11.592 1.00 0.00 O ATOM 147 CB GLN A 10 10.874 14.827 9.566 1.00 0.00 C ATOM 148 CG GLN A 10 9.844 14.403 8.531 1.00 0.00 C ATOM 149 CD GLN A 10 9.946 15.200 7.246 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.464 16.331 7.163 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.576 14.615 6.234 1.00 0.00 N ATOM 0 H GLN A 10 11.719 12.337 9.709 1.00 0.00 H new ATOM 0 HA GLN A 10 12.664 14.799 8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.560 14.470 10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.899 15.916 9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.973 13.344 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.844 14.521 8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.960 13.677 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.676 15.104 5.344 1.00 0.00 H new ATOM 160 N GLY A 11 14.337 15.274 10.132 1.00 0.00 N ATOM 161 CA GLY A 11 15.291 15.637 11.164 1.00 0.00 C ATOM 162 C GLY A 11 15.810 17.052 11.002 1.00 0.00 C ATOM 163 O GLY A 11 15.449 17.747 10.053 1.00 0.00 O ATOM 0 H GLY A 11 14.607 15.542 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.820 15.536 12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.129 14.941 11.141 1.00 0.00 H new ATOM 167 N GLU A 12 16.659 17.479 11.932 1.00 0.00 N ATOM 168 CA GLU A 12 17.226 18.822 11.888 1.00 0.00 C ATOM 169 C GLU A 12 18.751 18.768 11.859 1.00 0.00 C ATOM 170 O GLU A 12 19.368 17.962 12.555 1.00 0.00 O ATOM 171 CB GLU A 12 16.757 19.637 13.096 1.00 0.00 C ATOM 172 CG GLU A 12 17.300 21.056 13.120 1.00 0.00 C ATOM 173 CD GLU A 12 16.600 21.931 14.142 1.00 0.00 C ATOM 174 OE1 GLU A 12 15.522 22.472 13.818 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.129 22.075 15.263 1.00 0.00 O ATOM 0 H GLU A 12 16.969 16.915 12.724 1.00 0.00 H new ATOM 0 HA GLU A 12 16.879 19.306 10.975 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.668 19.674 13.098 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.061 19.125 14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.367 21.029 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.190 21.500 12.131 1.00 0.00 H new ATOM 182 N VAL A 13 19.352 19.632 11.047 1.00 0.00 N ATOM 183 CA VAL A 13 20.804 19.683 10.925 1.00 0.00 C ATOM 184 C VAL A 13 21.459 19.948 12.276 1.00 0.00 C ATOM 185 O VAL A 13 20.976 20.763 13.063 1.00 0.00 O ATOM 186 CB VAL A 13 21.245 20.774 9.931 1.00 0.00 C ATOM 187 CG1 VAL A 13 22.763 20.863 9.876 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.669 20.500 8.550 1.00 0.00 C ATOM 0 H VAL A 13 18.856 20.306 10.464 1.00 0.00 H new ATOM 0 HA VAL A 13 21.125 18.710 10.552 1.00 0.00 H new ATOM 0 HB VAL A 13 20.860 21.734 10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.057 21.639 9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.149 21.109 10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.172 19.905 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.991 21.280 7.860 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.023 19.533 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.580 20.490 8.605 1.00 0.00 H new ATOM 198 N ILE A 14 22.562 19.254 12.538 1.00 0.00 N ATOM 199 CA ILE A 14 23.284 19.415 13.794 1.00 0.00 C ATOM 200 C ILE A 14 24.704 19.916 13.551 1.00 0.00 C ATOM 201 O ILE A 14 25.277 20.614 14.386 1.00 0.00 O ATOM 202 CB ILE A 14 23.346 18.093 14.582 1.00 0.00 C ATOM 203 CG1 ILE A 14 23.900 18.337 15.987 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.198 17.074 13.840 1.00 0.00 C ATOM 205 CD1 ILE A 14 23.755 17.147 16.909 1.00 0.00 C ATOM 0 H ILE A 14 22.975 18.576 11.898 1.00 0.00 H new ATOM 0 HA ILE A 14 22.736 20.152 14.381 1.00 0.00 H new ATOM 0 HB ILE A 14 22.336 17.694 14.675 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.955 18.602 15.912 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.387 19.192 16.427 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.232 16.145 14.409 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.764 16.882 12.859 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.209 17.463 13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.169 17.392 17.887 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.700 16.895 17.014 1.00 0.00 H new ATOM 0 HD13 ILE A 14 24.292 16.295 16.491 1.00 0.00 H new ATOM 217 N GLU A 15 25.264 19.556 12.400 1.00 0.00 N ATOM 218 CA GLU A 15 26.617 19.970 12.047 1.00 0.00 C ATOM 219 C GLU A 15 26.752 20.158 10.539 1.00 0.00 C ATOM 220 O GLU A 15 25.976 19.604 9.762 1.00 0.00 O ATOM 221 CB GLU A 15 27.634 18.937 12.536 1.00 0.00 C ATOM 222 CG GLU A 15 29.009 19.521 12.813 1.00 0.00 C ATOM 223 CD GLU A 15 29.902 18.571 13.587 1.00 0.00 C ATOM 224 OE1 GLU A 15 29.364 17.674 14.269 1.00 0.00 O ATOM 225 OE2 GLU A 15 31.139 18.724 13.509 1.00 0.00 O ATOM 0 H GLU A 15 24.802 18.979 11.697 1.00 0.00 H new ATOM 0 HA GLU A 15 26.816 20.924 12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.257 18.470 13.446 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.727 18.149 11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.489 19.775 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.899 20.449 13.374 1.00 0.00 H new ATOM 232 N ASN A 16 27.743 20.945 10.133 1.00 0.00 N ATOM 233 CA ASN A 16 27.980 21.208 8.718 1.00 0.00 C ATOM 234 C ASN A 16 29.430 20.913 8.345 1.00 0.00 C ATOM 235 O ASN A 16 30.359 21.428 8.969 1.00 0.00 O ATOM 236 CB ASN A 16 27.641 22.662 8.384 1.00 0.00 C ATOM 237 CG ASN A 16 26.438 23.168 9.158 1.00 0.00 C ATOM 238 OD1 ASN A 16 26.574 23.701 10.259 1.00 0.00 O ATOM 239 ND2 ASN A 16 25.253 23.002 8.583 1.00 0.00 N ATOM 0 H ASN A 16 28.395 21.412 10.764 1.00 0.00 H new ATOM 0 HA ASN A 16 27.333 20.549 8.138 1.00 0.00 H new ATOM 0 HB2 ASN A 16 28.502 23.293 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 16 27.445 22.750 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 16 24.408 23.322 9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 16 25.188 22.555 7.669 1.00 0.00 H new ATOM 246 N LEU A 17 29.615 20.083 7.325 1.00 0.00 N ATOM 247 CA LEU A 17 30.952 19.720 6.868 1.00 0.00 C ATOM 248 C LEU A 17 31.081 19.906 5.359 1.00 0.00 C ATOM 249 O LEU A 17 30.091 19.967 4.630 1.00 0.00 O ATOM 250 CB LEU A 17 31.265 18.271 7.243 1.00 0.00 C ATOM 251 CG LEU A 17 31.944 18.059 8.596 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.065 18.582 9.722 1.00 0.00 C ATOM 253 CD2 LEU A 17 32.265 16.586 8.807 1.00 0.00 C ATOM 0 H LEU A 17 28.857 19.649 6.799 1.00 0.00 H new ATOM 0 HA LEU A 17 31.668 20.379 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.333 17.705 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.903 17.846 6.468 1.00 0.00 H new ATOM 0 HG LEU A 17 32.879 18.618 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.565 18.423 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.887 19.648 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.113 18.051 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 17 32.748 16.454 9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.343 16.005 8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.934 16.243 8.018 1.00 0.00 H new ATOM 265 N PRO A 18 32.330 19.998 4.879 1.00 0.00 N ATOM 266 CA PRO A 18 32.618 20.175 3.452 1.00 0.00 C ATOM 267 C PRO A 18 32.290 18.930 2.635 1.00 0.00 C ATOM 268 O PRO A 18 31.683 17.987 3.141 1.00 0.00 O ATOM 269 CB PRO A 18 34.124 20.451 3.426 1.00 0.00 C ATOM 270 CG PRO A 18 34.648 19.807 4.664 1.00 0.00 C ATOM 271 CD PRO A 18 33.557 19.934 5.691 1.00 0.00 C ATOM 0 HA PRO A 18 32.017 20.970 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 18 34.588 20.031 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 18 34.330 21.521 3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.895 18.761 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 18 35.561 20.297 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.545 19.083 6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.682 20.828 6.302 1.00 0.00 H new ATOM 279 N ASN A 19 32.696 18.935 1.370 1.00 0.00 N ATOM 280 CA ASN A 19 32.445 17.805 0.483 1.00 0.00 C ATOM 281 C ASN A 19 30.947 17.599 0.275 1.00 0.00 C ATOM 282 O ASN A 19 30.481 16.471 0.121 1.00 0.00 O ATOM 283 CB ASN A 19 33.072 16.532 1.054 1.00 0.00 C ATOM 284 CG ASN A 19 33.372 15.503 -0.019 1.00 0.00 C ATOM 285 OD1 ASN A 19 33.405 15.822 -1.208 1.00 0.00 O ATOM 286 ND2 ASN A 19 33.594 14.262 0.397 1.00 0.00 N ATOM 0 H ASN A 19 33.200 19.708 0.936 1.00 0.00 H new ATOM 0 HA ASN A 19 32.901 18.025 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 19 33.994 16.787 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.397 16.097 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 19 33.802 13.527 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.556 14.043 1.393 1.00 0.00 H new ATOM 293 N ALA A 20 30.199 18.698 0.272 1.00 0.00 N ATOM 294 CA ALA A 20 28.756 18.638 0.080 1.00 0.00 C ATOM 295 C ALA A 20 28.112 17.659 1.056 1.00 0.00 C ATOM 296 O ALA A 20 27.085 17.049 0.755 1.00 0.00 O ATOM 297 CB ALA A 20 28.429 18.249 -1.354 1.00 0.00 C ATOM 0 H ALA A 20 30.569 19.640 0.400 1.00 0.00 H new ATOM 0 HA ALA A 20 28.347 19.629 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.347 18.208 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.848 18.989 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.857 17.271 -1.572 1.00 0.00 H new ATOM 303 N THR A 21 28.723 17.510 2.228 1.00 0.00 N ATOM 304 CA THR A 21 28.211 16.603 3.247 1.00 0.00 C ATOM 305 C THR A 21 27.538 17.371 4.379 1.00 0.00 C ATOM 306 O THR A 21 27.878 18.524 4.648 1.00 0.00 O ATOM 307 CB THR A 21 29.333 15.726 3.833 1.00 0.00 C ATOM 308 OG1 THR A 21 30.240 15.333 2.797 1.00 0.00 O ATOM 309 CG2 THR A 21 28.758 14.490 4.507 1.00 0.00 C ATOM 0 H THR A 21 29.573 18.006 2.494 1.00 0.00 H new ATOM 0 HA THR A 21 27.476 15.962 2.759 1.00 0.00 H new ATOM 0 HB THR A 21 29.868 16.312 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.951 14.777 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.570 13.886 4.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.092 14.793 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.200 13.904 3.777 1.00 0.00 H new ATOM 317 N PHE A 22 26.582 16.726 5.039 1.00 0.00 N ATOM 318 CA PHE A 22 25.861 17.350 6.142 1.00 0.00 C ATOM 319 C PHE A 22 25.310 16.294 7.097 1.00 0.00 C ATOM 320 O PHE A 22 25.049 15.158 6.700 1.00 0.00 O ATOM 321 CB PHE A 22 24.719 18.216 5.608 1.00 0.00 C ATOM 322 CG PHE A 22 25.180 19.517 5.015 1.00 0.00 C ATOM 323 CD1 PHE A 22 25.405 20.621 5.822 1.00 0.00 C ATOM 324 CD2 PHE A 22 25.390 19.635 3.650 1.00 0.00 C ATOM 325 CE1 PHE A 22 25.829 21.818 5.278 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.815 20.831 3.101 1.00 0.00 C ATOM 327 CZ PHE A 22 26.035 21.923 3.916 1.00 0.00 C ATOM 0 H PHE A 22 26.289 15.772 4.829 1.00 0.00 H new ATOM 0 HA PHE A 22 26.560 17.981 6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 22 24.171 17.655 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.021 18.423 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.247 20.545 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 22 25.220 18.783 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.999 22.672 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.975 20.910 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.368 22.858 3.490 1.00 0.00 H new ATOM 337 N ARG A 23 25.135 16.678 8.357 1.00 0.00 N ATOM 338 CA ARG A 23 24.617 15.766 9.369 1.00 0.00 C ATOM 339 C ARG A 23 23.287 16.268 9.924 1.00 0.00 C ATOM 340 O ARG A 23 23.141 17.449 10.241 1.00 0.00 O ATOM 341 CB ARG A 23 25.628 15.604 10.506 1.00 0.00 C ATOM 342 CG ARG A 23 25.754 14.176 11.010 1.00 0.00 C ATOM 343 CD ARG A 23 26.670 14.091 12.221 1.00 0.00 C ATOM 344 NE ARG A 23 27.257 12.763 12.371 1.00 0.00 N ATOM 345 CZ ARG A 23 28.264 12.316 11.629 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.793 13.089 10.690 1.00 0.00 N ATOM 347 NH2 ARG A 23 28.745 11.095 11.826 1.00 0.00 N ATOM 0 H ARG A 23 25.344 17.615 8.701 1.00 0.00 H new ATOM 0 HA ARG A 23 24.452 14.797 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.604 15.947 10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.336 16.249 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.768 13.793 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 23 26.142 13.541 10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.465 14.830 12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.107 14.342 13.120 1.00 0.00 H new ATOM 0 HE ARG A 23 26.873 12.144 13.085 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.427 14.028 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 23 29.566 12.744 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.341 10.498 12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 23 29.518 10.753 11.255 1.00 0.00 H new ATOM 361 N VAL A 24 22.320 15.363 10.038 1.00 0.00 N ATOM 362 CA VAL A 24 21.002 15.714 10.555 1.00 0.00 C ATOM 363 C VAL A 24 20.517 14.682 11.567 1.00 0.00 C ATOM 364 O VAL A 24 20.699 13.479 11.380 1.00 0.00 O ATOM 365 CB VAL A 24 19.967 15.830 9.421 1.00 0.00 C ATOM 366 CG1 VAL A 24 19.989 14.585 8.548 1.00 0.00 C ATOM 367 CG2 VAL A 24 18.577 16.068 9.991 1.00 0.00 C ATOM 0 H VAL A 24 22.424 14.382 9.780 1.00 0.00 H new ATOM 0 HA VAL A 24 21.102 16.682 11.046 1.00 0.00 H new ATOM 0 HB VAL A 24 20.230 16.685 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 24 19.251 14.686 7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 24 20.980 14.465 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 24 19.752 13.711 9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 24 17.858 16.148 9.176 1.00 0.00 H new ATOM 0 HG22 VAL A 24 18.301 15.235 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 24 18.574 16.992 10.569 1.00 0.00 H new ATOM 377 N LYS A 25 19.897 15.161 12.641 1.00 0.00 N ATOM 378 CA LYS A 25 19.383 14.281 13.684 1.00 0.00 C ATOM 379 C LYS A 25 17.890 14.029 13.495 1.00 0.00 C ATOM 380 O LYS A 25 17.110 14.964 13.311 1.00 0.00 O ATOM 381 CB LYS A 25 19.638 14.890 15.064 1.00 0.00 C ATOM 382 CG LYS A 25 18.879 16.182 15.309 1.00 0.00 C ATOM 383 CD LYS A 25 19.631 17.100 16.259 1.00 0.00 C ATOM 384 CE LYS A 25 19.285 16.803 17.710 1.00 0.00 C ATOM 385 NZ LYS A 25 17.985 17.411 18.106 1.00 0.00 N ATOM 0 H LYS A 25 19.738 16.154 12.812 1.00 0.00 H new ATOM 0 HA LYS A 25 19.907 13.328 13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.360 14.165 15.829 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.706 15.079 15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.715 16.694 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.897 15.955 15.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.704 16.982 16.108 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.389 18.138 16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.242 15.724 17.859 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.076 17.183 18.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.785 17.186 19.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.034 18.443 17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.226 17.029 17.506 1.00 0.00 H new ATOM 399 N LEU A 26 17.499 12.760 13.544 1.00 0.00 N ATOM 400 CA LEU A 26 16.099 12.385 13.380 1.00 0.00 C ATOM 401 C LEU A 26 15.304 12.680 14.648 1.00 0.00 C ATOM 402 O LEU A 26 15.618 13.614 15.385 1.00 0.00 O ATOM 403 CB LEU A 26 15.986 10.901 13.027 1.00 0.00 C ATOM 404 CG LEU A 26 17.033 10.361 12.053 1.00 0.00 C ATOM 405 CD1 LEU A 26 18.044 9.492 12.783 1.00 0.00 C ATOM 406 CD2 LEU A 26 16.365 9.578 10.932 1.00 0.00 C ATOM 0 H LEU A 26 18.131 11.974 13.696 1.00 0.00 H new ATOM 0 HA LEU A 26 15.683 12.978 12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.045 10.323 13.949 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.998 10.723 12.602 1.00 0.00 H new ATOM 0 HG LEU A 26 17.562 11.207 11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.781 9.117 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.546 10.083 13.549 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.531 8.652 13.251 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.126 9.201 10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.809 8.741 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.681 10.231 10.390 1.00 0.00 H new ATOM 418 N GLU A 27 14.275 11.876 14.896 1.00 0.00 N ATOM 419 CA GLU A 27 13.437 12.051 16.076 1.00 0.00 C ATOM 420 C GLU A 27 13.995 11.268 17.261 1.00 0.00 C ATOM 421 O GLU A 27 13.745 11.609 18.416 1.00 0.00 O ATOM 422 CB GLU A 27 12.004 11.600 15.783 1.00 0.00 C ATOM 423 CG GLU A 27 11.119 12.705 15.232 1.00 0.00 C ATOM 424 CD GLU A 27 9.655 12.503 15.572 1.00 0.00 C ATOM 425 OE1 GLU A 27 8.987 11.715 14.869 1.00 0.00 O ATOM 426 OE2 GLU A 27 9.177 13.132 16.538 1.00 0.00 O ATOM 0 H GLU A 27 14.002 11.098 14.296 1.00 0.00 H new ATOM 0 HA GLU A 27 13.432 13.110 16.332 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.030 10.777 15.069 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.559 11.213 16.700 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.452 13.664 15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.234 12.751 14.149 1.00 0.00 H new ATOM 433 N ASN A 28 14.754 10.218 16.964 1.00 0.00 N ATOM 434 CA ASN A 28 15.347 9.386 18.005 1.00 0.00 C ATOM 435 C ASN A 28 16.583 10.056 18.598 1.00 0.00 C ATOM 436 O ASN A 28 17.049 9.681 19.673 1.00 0.00 O ATOM 437 CB ASN A 28 15.720 8.014 17.439 1.00 0.00 C ATOM 438 CG ASN A 28 14.595 7.397 16.630 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.760 7.087 15.450 1.00 0.00 O ATOM 440 ND2 ASN A 28 13.442 7.216 17.264 1.00 0.00 N ATOM 0 H ASN A 28 14.973 9.923 16.012 1.00 0.00 H new ATOM 0 HA ASN A 28 14.609 9.257 18.797 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.605 8.112 16.810 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.984 7.345 18.258 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.649 6.805 16.772 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.350 7.488 18.243 1.00 0.00 H new ATOM 447 N GLY A 29 17.108 11.050 17.889 1.00 0.00 N ATOM 448 CA GLY A 29 18.285 11.757 18.361 1.00 0.00 C ATOM 449 C GLY A 29 19.534 11.387 17.586 1.00 0.00 C ATOM 450 O GLY A 29 20.528 12.114 17.612 1.00 0.00 O ATOM 0 H GLY A 29 16.740 11.379 16.996 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.116 12.831 18.281 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.438 11.536 19.417 1.00 0.00 H new ATOM 454 N HIS A 30 19.485 10.252 16.896 1.00 0.00 N ATOM 455 CA HIS A 30 20.623 9.786 16.111 1.00 0.00 C ATOM 456 C HIS A 30 20.872 10.702 14.917 1.00 0.00 C ATOM 457 O HIS A 30 19.934 11.130 14.244 1.00 0.00 O ATOM 458 CB HIS A 30 20.384 8.354 15.629 1.00 0.00 C ATOM 459 CG HIS A 30 19.891 7.435 16.704 1.00 0.00 C ATOM 460 ND1 HIS A 30 18.857 6.542 16.514 1.00 0.00 N ATOM 461 CD2 HIS A 30 20.296 7.272 17.985 1.00 0.00 C ATOM 462 CE1 HIS A 30 18.647 5.871 17.632 1.00 0.00 C ATOM 463 NE2 HIS A 30 19.507 6.295 18.540 1.00 0.00 N ATOM 0 H HIS A 30 18.671 9.639 16.864 1.00 0.00 H new ATOM 0 HA HIS A 30 21.506 9.804 16.750 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.659 8.370 14.815 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.313 7.957 15.221 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.092 7.810 18.479 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.899 5.106 17.779 1.00 0.00 H new ATOM 0 HE2 HIS A 30 19.574 5.952 19.498 1.00 0.00 H new ATOM 471 N VAL A 31 22.141 11.001 14.661 1.00 0.00 N ATOM 472 CA VAL A 31 22.513 11.867 13.548 1.00 0.00 C ATOM 473 C VAL A 31 23.003 11.051 12.357 1.00 0.00 C ATOM 474 O VAL A 31 23.831 10.152 12.504 1.00 0.00 O ATOM 475 CB VAL A 31 23.611 12.866 13.958 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.053 13.913 14.910 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.789 12.136 14.586 1.00 0.00 C ATOM 0 H VAL A 31 22.929 10.657 15.209 1.00 0.00 H new ATOM 0 HA VAL A 31 21.617 12.419 13.263 1.00 0.00 H new ATOM 0 HB VAL A 31 23.965 13.376 13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 31 23.844 14.610 15.188 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.246 14.457 14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 22.669 13.423 15.805 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.555 12.858 14.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.453 11.597 15.472 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.204 11.430 13.867 1.00 0.00 H new ATOM 487 N VAL A 32 22.484 11.370 11.175 1.00 0.00 N ATOM 488 CA VAL A 32 22.869 10.667 9.957 1.00 0.00 C ATOM 489 C VAL A 32 23.695 11.565 9.043 1.00 0.00 C ATOM 490 O VAL A 32 23.417 12.758 8.909 1.00 0.00 O ATOM 491 CB VAL A 32 21.635 10.164 9.185 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.790 9.255 10.064 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.813 11.337 8.672 1.00 0.00 C ATOM 0 H VAL A 32 21.796 12.110 11.035 1.00 0.00 H new ATOM 0 HA VAL A 32 23.471 9.811 10.262 1.00 0.00 H new ATOM 0 HB VAL A 32 21.976 9.586 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.922 8.909 9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 32 21.385 8.397 10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.456 9.806 10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.945 10.963 8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.480 11.944 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.424 11.945 8.005 1.00 0.00 H new ATOM 503 N LEU A 33 24.712 10.985 8.415 1.00 0.00 N ATOM 504 CA LEU A 33 25.580 11.733 7.512 1.00 0.00 C ATOM 505 C LEU A 33 25.261 11.408 6.056 1.00 0.00 C ATOM 506 O LEU A 33 25.118 10.243 5.687 1.00 0.00 O ATOM 507 CB LEU A 33 27.048 11.418 7.806 1.00 0.00 C ATOM 508 CG LEU A 33 27.395 9.939 7.980 1.00 0.00 C ATOM 509 CD1 LEU A 33 28.791 9.653 7.448 1.00 0.00 C ATOM 510 CD2 LEU A 33 27.287 9.534 9.442 1.00 0.00 C ATOM 0 H LEU A 33 24.956 10.000 8.514 1.00 0.00 H new ATOM 0 HA LEU A 33 25.403 12.796 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 27.655 11.820 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 33 27.338 11.948 8.713 1.00 0.00 H new ATOM 0 HG LEU A 33 26.681 9.348 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 33 29.021 8.596 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 33 28.835 9.904 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 33 29.519 10.254 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 33 27.537 8.478 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 33 27.978 10.131 10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 26.268 9.702 9.792 1.00 0.00 H new ATOM 522 N GLY A 34 25.152 12.446 5.233 1.00 0.00 N ATOM 523 CA GLY A 34 24.852 12.250 3.827 1.00 0.00 C ATOM 524 C GLY A 34 25.292 13.421 2.971 1.00 0.00 C ATOM 525 O GLY A 34 25.930 14.353 3.462 1.00 0.00 O ATOM 0 H GLY A 34 25.266 13.420 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 25.344 11.343 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.780 12.098 3.705 1.00 0.00 H new ATOM 529 N HIS A 35 24.952 13.375 1.687 1.00 0.00 N ATOM 530 CA HIS A 35 25.317 14.441 0.760 1.00 0.00 C ATOM 531 C HIS A 35 24.074 15.063 0.131 1.00 0.00 C ATOM 532 O HIS A 35 23.076 14.379 -0.103 1.00 0.00 O ATOM 533 CB HIS A 35 26.240 13.901 -0.332 1.00 0.00 C ATOM 534 CG HIS A 35 25.581 12.906 -1.236 1.00 0.00 C ATOM 535 ND1 HIS A 35 25.485 11.563 -0.935 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.981 13.064 -2.439 1.00 0.00 C ATOM 537 CE1 HIS A 35 24.856 10.939 -1.915 1.00 0.00 C ATOM 538 NE2 HIS A 35 24.539 11.827 -2.840 1.00 0.00 N ATOM 0 H HIS A 35 24.424 12.611 1.264 1.00 0.00 H new ATOM 0 HA HIS A 35 25.843 15.213 1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 35 26.608 14.735 -0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 35 27.108 13.436 0.135 1.00 0.00 H new ATOM 0 HD2 HIS A 35 24.870 13.991 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 35 24.638 9.882 -1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 35 24.046 11.627 -3.710 1.00 0.00 H new ATOM 546 N ILE A 36 24.141 16.362 -0.140 1.00 0.00 N ATOM 547 CA ILE A 36 23.022 17.075 -0.743 1.00 0.00 C ATOM 548 C ILE A 36 23.316 17.434 -2.195 1.00 0.00 C ATOM 549 O ILE A 36 24.367 17.995 -2.505 1.00 0.00 O ATOM 550 CB ILE A 36 22.689 18.362 0.036 1.00 0.00 C ATOM 551 CG1 ILE A 36 21.471 19.054 -0.577 1.00 0.00 C ATOM 552 CG2 ILE A 36 23.888 19.298 0.047 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.257 18.158 -0.685 1.00 0.00 C ATOM 0 H ILE A 36 24.959 16.942 0.049 1.00 0.00 H new ATOM 0 HA ILE A 36 22.164 16.404 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 36 22.451 18.096 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 36 21.217 19.925 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.732 19.419 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.638 20.203 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 24.733 18.802 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.154 19.561 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.432 18.715 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 36 20.494 17.299 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 36 19.970 17.813 0.308 1.00 0.00 H new ATOM 565 N SER A 37 22.380 17.109 -3.081 1.00 0.00 N ATOM 566 CA SER A 37 22.540 17.396 -4.502 1.00 0.00 C ATOM 567 C SER A 37 21.183 17.578 -5.175 1.00 0.00 C ATOM 568 O SER A 37 20.152 17.173 -4.640 1.00 0.00 O ATOM 569 CB SER A 37 23.315 16.269 -5.187 1.00 0.00 C ATOM 570 OG SER A 37 24.009 16.747 -6.327 1.00 0.00 O ATOM 0 H SER A 37 21.503 16.647 -2.840 1.00 0.00 H new ATOM 0 HA SER A 37 23.102 18.325 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 37 24.023 15.830 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.627 15.477 -5.482 1.00 0.00 H new ATOM 0 HG SER A 37 24.498 16.008 -6.746 1.00 0.00 H new ATOM 576 N GLY A 38 21.193 18.192 -6.355 1.00 0.00 N ATOM 577 CA GLY A 38 19.958 18.419 -7.083 1.00 0.00 C ATOM 578 C GLY A 38 19.926 19.773 -7.763 1.00 0.00 C ATOM 579 O GLY A 38 20.963 20.411 -7.941 1.00 0.00 O ATOM 0 H GLY A 38 22.034 18.536 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.832 17.637 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 38 19.115 18.341 -6.396 1.00 0.00 H new ATOM 583 N LYS A 39 18.732 20.212 -8.147 1.00 0.00 N ATOM 584 CA LYS A 39 18.568 21.499 -8.813 1.00 0.00 C ATOM 585 C LYS A 39 18.592 22.641 -7.802 1.00 0.00 C ATOM 586 O LYS A 39 19.504 23.467 -7.807 1.00 0.00 O ATOM 587 CB LYS A 39 17.255 21.526 -9.598 1.00 0.00 C ATOM 588 CG LYS A 39 17.382 20.994 -11.015 1.00 0.00 C ATOM 589 CD LYS A 39 16.361 21.630 -11.944 1.00 0.00 C ATOM 590 CE LYS A 39 16.548 21.165 -13.380 1.00 0.00 C ATOM 591 NZ LYS A 39 15.866 22.068 -14.348 1.00 0.00 N ATOM 0 H LYS A 39 17.864 19.695 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 39 19.400 21.631 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.510 20.937 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.885 22.551 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.387 21.190 -11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.248 19.912 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.355 21.379 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.451 22.715 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.612 21.121 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.156 20.154 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.017 21.717 -15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.847 22.091 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.258 23.028 -14.263 1.00 0.00 H new ATOM 605 N MET A 40 17.584 22.680 -6.937 1.00 0.00 N ATOM 606 CA MET A 40 17.492 23.721 -5.918 1.00 0.00 C ATOM 607 C MET A 40 18.747 23.745 -5.051 1.00 0.00 C ATOM 608 O MET A 40 19.044 24.748 -4.402 1.00 0.00 O ATOM 609 CB MET A 40 16.258 23.499 -5.043 1.00 0.00 C ATOM 610 CG MET A 40 14.968 23.360 -5.835 1.00 0.00 C ATOM 611 SD MET A 40 14.588 24.830 -6.808 1.00 0.00 S ATOM 612 CE MET A 40 12.803 24.871 -6.678 1.00 0.00 C ATOM 0 H MET A 40 16.820 22.004 -6.921 1.00 0.00 H new ATOM 0 HA MET A 40 17.402 24.683 -6.423 1.00 0.00 H new ATOM 0 HB2 MET A 40 16.405 22.601 -4.443 1.00 0.00 H new ATOM 0 HB3 MET A 40 16.160 24.334 -4.349 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.045 22.499 -6.499 1.00 0.00 H new ATOM 0 HG3 MET A 40 14.145 23.160 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.418 25.728 -7.231 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.387 23.954 -7.094 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.516 24.957 -5.630 1.00 0.00 H new ATOM 622 N ARG A 41 19.479 22.636 -5.046 1.00 0.00 N ATOM 623 CA ARG A 41 20.701 22.531 -4.257 1.00 0.00 C ATOM 624 C ARG A 41 21.859 23.241 -4.952 1.00 0.00 C ATOM 625 O ARG A 41 22.814 23.670 -4.305 1.00 0.00 O ATOM 626 CB ARG A 41 21.057 21.062 -4.023 1.00 0.00 C ATOM 627 CG ARG A 41 19.866 20.201 -3.635 1.00 0.00 C ATOM 628 CD ARG A 41 19.267 20.644 -2.309 1.00 0.00 C ATOM 629 NE ARG A 41 18.378 21.792 -2.467 1.00 0.00 N ATOM 630 CZ ARG A 41 17.875 22.477 -1.446 1.00 0.00 C ATOM 631 NH1 ARG A 41 18.171 22.132 -0.201 1.00 0.00 N ATOM 632 NH2 ARG A 41 17.073 23.511 -1.671 1.00 0.00 N ATOM 0 H ARG A 41 19.248 21.798 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 41 20.526 23.013 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.507 20.657 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.810 21.000 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.107 20.256 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.177 19.159 -3.565 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.714 19.816 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.069 20.899 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 41 18.130 22.084 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.787 21.338 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.783 22.660 0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.843 23.779 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.687 24.037 -0.887 1.00 0.00 H new ATOM 646 N MET A 42 21.766 23.362 -6.272 1.00 0.00 N ATOM 647 CA MET A 42 22.806 24.022 -7.054 1.00 0.00 C ATOM 648 C MET A 42 22.536 25.519 -7.164 1.00 0.00 C ATOM 649 O MET A 42 23.201 26.226 -7.922 1.00 0.00 O ATOM 650 CB MET A 42 22.893 23.403 -8.450 1.00 0.00 C ATOM 651 CG MET A 42 23.843 22.219 -8.532 1.00 0.00 C ATOM 652 SD MET A 42 25.554 22.719 -8.805 1.00 0.00 S ATOM 653 CE MET A 42 25.522 23.095 -10.556 1.00 0.00 C ATOM 0 H MET A 42 20.982 23.012 -6.823 1.00 0.00 H new ATOM 0 HA MET A 42 23.757 23.880 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 42 21.898 23.082 -8.759 1.00 0.00 H new ATOM 0 HB3 MET A 42 23.216 24.167 -9.158 1.00 0.00 H new ATOM 0 HG2 MET A 42 23.780 21.643 -7.609 1.00 0.00 H new ATOM 0 HG3 MET A 42 23.527 21.560 -9.341 1.00 0.00 H new ATOM 0 HE1 MET A 42 26.539 23.265 -10.910 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.083 22.259 -11.100 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.925 23.991 -10.725 1.00 0.00 H new ATOM 663 N HIS A 43 21.555 25.997 -6.404 1.00 0.00 N ATOM 664 CA HIS A 43 21.198 27.411 -6.417 1.00 0.00 C ATOM 665 C HIS A 43 21.861 28.149 -5.259 1.00 0.00 C ATOM 666 O HIS A 43 21.365 29.179 -4.800 1.00 0.00 O ATOM 667 CB HIS A 43 19.680 27.576 -6.340 1.00 0.00 C ATOM 668 CG HIS A 43 19.193 28.893 -6.859 1.00 0.00 C ATOM 669 ND1 HIS A 43 18.685 29.882 -6.044 1.00 0.00 N ATOM 670 CD2 HIS A 43 19.141 29.383 -8.120 1.00 0.00 C ATOM 671 CE1 HIS A 43 18.339 30.923 -6.781 1.00 0.00 C ATOM 672 NE2 HIS A 43 18.606 30.646 -8.044 1.00 0.00 N ATOM 0 H HIS A 43 20.994 25.426 -5.772 1.00 0.00 H new ATOM 0 HA HIS A 43 21.556 27.842 -7.352 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.207 26.774 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.363 27.464 -5.303 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.461 28.876 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.911 31.844 -6.413 1.00 0.00 H new ATOM 0 HE2 HIS A 43 18.442 31.269 -8.835 1.00 0.00 H new ATOM 680 N TYR A 44 22.984 27.617 -4.790 1.00 0.00 N ATOM 681 CA TYR A 44 23.714 28.224 -3.683 1.00 0.00 C ATOM 682 C TYR A 44 22.789 28.480 -2.496 1.00 0.00 C ATOM 683 O TYR A 44 22.675 29.609 -2.018 1.00 0.00 O ATOM 684 CB TYR A 44 24.364 29.534 -4.130 1.00 0.00 C ATOM 685 CG TYR A 44 25.123 29.420 -5.432 1.00 0.00 C ATOM 686 CD1 TYR A 44 26.407 28.891 -5.466 1.00 0.00 C ATOM 687 CD2 TYR A 44 24.556 29.840 -6.629 1.00 0.00 C ATOM 688 CE1 TYR A 44 27.105 28.785 -6.654 1.00 0.00 C ATOM 689 CE2 TYR A 44 25.246 29.737 -7.822 1.00 0.00 C ATOM 690 CZ TYR A 44 26.520 29.209 -7.829 1.00 0.00 C ATOM 691 OH TYR A 44 27.211 29.105 -9.014 1.00 0.00 O ATOM 0 H TYR A 44 23.409 26.766 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 44 24.493 27.529 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 44 23.591 30.296 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 44 25.045 29.876 -3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 26.868 28.557 -4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 44 23.559 30.254 -6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 44 28.103 28.372 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 44 24.790 30.068 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 44 26.657 29.447 -9.747 1.00 0.00 H new ATOM 701 N ILE A 45 22.133 27.425 -2.027 1.00 0.00 N ATOM 702 CA ILE A 45 21.220 27.534 -0.896 1.00 0.00 C ATOM 703 C ILE A 45 21.979 27.803 0.399 1.00 0.00 C ATOM 704 O ILE A 45 23.181 27.554 0.488 1.00 0.00 O ATOM 705 CB ILE A 45 20.377 26.256 -0.728 1.00 0.00 C ATOM 706 CG1 ILE A 45 21.283 25.026 -0.662 1.00 0.00 C ATOM 707 CG2 ILE A 45 19.379 26.126 -1.870 1.00 0.00 C ATOM 708 CD1 ILE A 45 20.700 23.888 0.147 1.00 0.00 C ATOM 0 H ILE A 45 22.216 26.484 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 45 20.556 28.372 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 45 19.822 26.325 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 45 21.481 24.676 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 45 22.242 25.314 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.791 25.218 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.716 26.991 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 45 19.915 26.076 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.397 23.050 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 45 20.527 24.220 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 45 19.755 23.573 -0.296 1.00 0.00 H new ATOM 720 N ARG A 46 21.268 28.311 1.400 1.00 0.00 N ATOM 721 CA ARG A 46 21.874 28.613 2.691 1.00 0.00 C ATOM 722 C ARG A 46 21.566 27.516 3.706 1.00 0.00 C ATOM 723 O ARG A 46 20.406 27.278 4.044 1.00 0.00 O ATOM 724 CB ARG A 46 21.372 29.961 3.212 1.00 0.00 C ATOM 725 CG ARG A 46 22.059 31.155 2.571 1.00 0.00 C ATOM 726 CD ARG A 46 21.340 32.454 2.900 1.00 0.00 C ATOM 727 NE ARG A 46 21.239 32.674 4.341 1.00 0.00 N ATOM 728 CZ ARG A 46 22.243 33.118 5.088 1.00 0.00 C ATOM 729 NH1 ARG A 46 23.417 33.390 4.535 1.00 0.00 N ATOM 730 NH2 ARG A 46 22.074 33.293 6.393 1.00 0.00 N ATOM 0 H ARG A 46 20.272 28.522 1.342 1.00 0.00 H new ATOM 0 HA ARG A 46 22.954 28.664 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 46 20.299 30.032 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.521 30.003 4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.091 31.211 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 46 22.092 31.020 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.871 33.288 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.341 32.435 2.465 1.00 0.00 H new ATOM 0 HE ARG A 46 20.349 32.476 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 46 23.551 33.258 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.186 33.731 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.172 33.086 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 46 22.846 33.634 6.966 1.00 0.00 H new ATOM 744 N ILE A 47 22.611 26.853 4.189 1.00 0.00 N ATOM 745 CA ILE A 47 22.451 25.782 5.165 1.00 0.00 C ATOM 746 C ILE A 47 23.059 26.169 6.509 1.00 0.00 C ATOM 747 O ILE A 47 24.140 26.757 6.568 1.00 0.00 O ATOM 748 CB ILE A 47 23.102 24.474 4.678 1.00 0.00 C ATOM 749 CG1 ILE A 47 22.499 24.047 3.338 1.00 0.00 C ATOM 750 CG2 ILE A 47 22.927 23.377 5.717 1.00 0.00 C ATOM 751 CD1 ILE A 47 23.301 22.980 2.627 1.00 0.00 C ATOM 0 H ILE A 47 23.577 27.038 3.921 1.00 0.00 H new ATOM 0 HA ILE A 47 21.380 25.622 5.285 1.00 0.00 H new ATOM 0 HB ILE A 47 24.169 24.647 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.487 23.678 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.417 24.920 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 47 23.392 22.459 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 47 23.399 23.682 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 47 21.864 23.203 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.815 22.727 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.306 23.352 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.361 22.091 3.255 1.00 0.00 H new ATOM 763 N LEU A 48 22.359 25.835 7.587 1.00 0.00 N ATOM 764 CA LEU A 48 22.830 26.145 8.932 1.00 0.00 C ATOM 765 C LEU A 48 22.305 25.128 9.941 1.00 0.00 C ATOM 766 O LEU A 48 21.313 24.438 9.705 1.00 0.00 O ATOM 767 CB LEU A 48 22.390 27.554 9.335 1.00 0.00 C ATOM 768 CG LEU A 48 23.276 28.699 8.844 1.00 0.00 C ATOM 769 CD1 LEU A 48 22.640 30.042 9.168 1.00 0.00 C ATOM 770 CD2 LEU A 48 24.664 28.602 9.461 1.00 0.00 C ATOM 0 H LEU A 48 21.463 25.349 7.556 1.00 0.00 H new ATOM 0 HA LEU A 48 23.919 26.097 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.379 27.718 8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.340 27.600 10.423 1.00 0.00 H new ATOM 0 HG LEU A 48 23.375 28.618 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.285 30.845 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.668 30.112 8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.511 30.133 10.246 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.281 29.425 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.584 28.657 10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.122 27.654 9.179 1.00 0.00 H new ATOM 782 N PRO A 49 22.984 25.034 11.094 1.00 0.00 N ATOM 783 CA PRO A 49 22.603 24.106 12.164 1.00 0.00 C ATOM 784 C PRO A 49 21.303 24.514 12.849 1.00 0.00 C ATOM 785 O PRO A 49 21.217 25.582 13.453 1.00 0.00 O ATOM 786 CB PRO A 49 23.775 24.195 13.144 1.00 0.00 C ATOM 787 CG PRO A 49 24.366 25.542 12.907 1.00 0.00 C ATOM 788 CD PRO A 49 24.175 25.826 11.443 1.00 0.00 C ATOM 0 HA PRO A 49 22.421 23.100 11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.438 24.086 14.175 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.504 23.405 12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 49 23.873 26.298 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.423 25.557 13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.019 26.889 11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.044 25.524 10.858 1.00 0.00 H new ATOM 796 N GLY A 50 20.293 23.655 12.750 1.00 0.00 N ATOM 797 CA GLY A 50 19.011 23.945 13.366 1.00 0.00 C ATOM 798 C GLY A 50 17.889 24.040 12.351 1.00 0.00 C ATOM 799 O GLY A 50 16.779 24.460 12.680 1.00 0.00 O ATOM 0 H GLY A 50 20.339 22.764 12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.776 23.166 14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.080 24.883 13.916 1.00 0.00 H new ATOM 803 N ASP A 51 18.177 23.650 11.114 1.00 0.00 N ATOM 804 CA ASP A 51 17.184 23.693 10.048 1.00 0.00 C ATOM 805 C ASP A 51 16.548 22.322 9.841 1.00 0.00 C ATOM 806 O ASP A 51 17.236 21.301 9.837 1.00 0.00 O ATOM 807 CB ASP A 51 17.824 24.174 8.745 1.00 0.00 C ATOM 808 CG ASP A 51 16.823 24.278 7.611 1.00 0.00 C ATOM 809 OD1 ASP A 51 16.013 25.229 7.620 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.849 23.410 6.715 1.00 0.00 O ATOM 0 H ASP A 51 19.091 23.300 10.825 1.00 0.00 H new ATOM 0 HA ASP A 51 16.403 24.395 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.286 25.148 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.621 23.487 8.460 1.00 0.00 H new ATOM 815 N LYS A 52 15.230 22.307 9.670 1.00 0.00 N ATOM 816 CA LYS A 52 14.500 21.062 9.463 1.00 0.00 C ATOM 817 C LYS A 52 14.642 20.581 8.022 1.00 0.00 C ATOM 818 O LYS A 52 14.279 21.289 7.082 1.00 0.00 O ATOM 819 CB LYS A 52 13.020 21.251 9.805 1.00 0.00 C ATOM 820 CG LYS A 52 12.696 20.989 11.265 1.00 0.00 C ATOM 821 CD LYS A 52 12.819 22.253 12.100 1.00 0.00 C ATOM 822 CE LYS A 52 11.540 23.075 12.059 1.00 0.00 C ATOM 823 NZ LYS A 52 10.384 22.330 12.629 1.00 0.00 N ATOM 0 H LYS A 52 14.646 23.143 9.671 1.00 0.00 H new ATOM 0 HA LYS A 52 14.926 20.307 10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.724 22.269 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.424 20.583 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.684 20.594 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.369 20.226 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.049 21.988 13.132 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.651 22.854 11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.685 24.001 12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.320 23.354 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.680 23.005 12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.951 21.741 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.712 21.722 13.407 1.00 0.00 H new ATOM 837 N VAL A 53 15.170 19.373 7.855 1.00 0.00 N ATOM 838 CA VAL A 53 15.357 18.797 6.529 1.00 0.00 C ATOM 839 C VAL A 53 15.005 17.314 6.519 1.00 0.00 C ATOM 840 O VAL A 53 14.978 16.663 7.565 1.00 0.00 O ATOM 841 CB VAL A 53 16.808 18.972 6.040 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.205 20.441 6.062 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.759 18.142 6.888 1.00 0.00 C ATOM 0 H VAL A 53 15.476 18.774 8.622 1.00 0.00 H new ATOM 0 HA VAL A 53 14.687 19.331 5.855 1.00 0.00 H new ATOM 0 HB VAL A 53 16.872 18.618 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.233 20.545 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.541 21.007 5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.126 20.824 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.779 18.277 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.695 18.464 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.486 17.089 6.816 1.00 0.00 H new ATOM 853 N THR A 54 14.736 16.782 5.331 1.00 0.00 N ATOM 854 CA THR A 54 14.385 15.376 5.184 1.00 0.00 C ATOM 855 C THR A 54 15.582 14.556 4.717 1.00 0.00 C ATOM 856 O THR A 54 16.414 15.036 3.947 1.00 0.00 O ATOM 857 CB THR A 54 13.227 15.187 4.186 1.00 0.00 C ATOM 858 OG1 THR A 54 12.146 16.064 4.518 1.00 0.00 O ATOM 859 CG2 THR A 54 12.738 13.746 4.191 1.00 0.00 C ATOM 0 H THR A 54 14.755 17.305 4.456 1.00 0.00 H new ATOM 0 HA THR A 54 14.069 15.025 6.166 1.00 0.00 H new ATOM 0 HB THR A 54 13.594 15.426 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.485 16.057 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.920 13.637 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.556 13.083 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.387 13.484 5.189 1.00 0.00 H new ATOM 867 N VAL A 55 15.664 13.316 5.189 1.00 0.00 N ATOM 868 CA VAL A 55 16.760 12.428 4.818 1.00 0.00 C ATOM 869 C VAL A 55 16.260 11.007 4.583 1.00 0.00 C ATOM 870 O VAL A 55 15.461 10.484 5.359 1.00 0.00 O ATOM 871 CB VAL A 55 17.854 12.403 5.902 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.759 13.619 5.776 1.00 0.00 C ATOM 873 CG2 VAL A 55 17.229 12.334 7.287 1.00 0.00 C ATOM 0 H VAL A 55 14.985 12.904 5.829 1.00 0.00 H new ATOM 0 HA VAL A 55 17.185 12.818 3.893 1.00 0.00 H new ATOM 0 HB VAL A 55 18.463 11.511 5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.526 13.584 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.234 13.619 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.167 14.527 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.016 12.317 8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.595 13.207 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.628 11.429 7.370 1.00 0.00 H new ATOM 883 N GLU A 56 16.737 10.388 3.508 1.00 0.00 N ATOM 884 CA GLU A 56 16.338 9.026 3.171 1.00 0.00 C ATOM 885 C GLU A 56 17.416 8.026 3.580 1.00 0.00 C ATOM 886 O GLU A 56 18.526 8.039 3.046 1.00 0.00 O ATOM 887 CB GLU A 56 16.061 8.909 1.671 1.00 0.00 C ATOM 888 CG GLU A 56 14.701 8.312 1.348 1.00 0.00 C ATOM 889 CD GLU A 56 14.019 9.010 0.187 1.00 0.00 C ATOM 890 OE1 GLU A 56 14.671 9.194 -0.862 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.832 9.372 0.329 1.00 0.00 O ATOM 0 H GLU A 56 17.400 10.807 2.856 1.00 0.00 H new ATOM 0 HA GLU A 56 15.426 8.795 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.131 9.898 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.836 8.294 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.819 7.254 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.063 8.373 2.230 1.00 0.00 H new ATOM 898 N LEU A 57 17.081 7.161 4.531 1.00 0.00 N ATOM 899 CA LEU A 57 18.019 6.153 5.013 1.00 0.00 C ATOM 900 C LEU A 57 18.139 5.001 4.020 1.00 0.00 C ATOM 901 O LEU A 57 17.151 4.581 3.417 1.00 0.00 O ATOM 902 CB LEU A 57 17.571 5.622 6.376 1.00 0.00 C ATOM 903 CG LEU A 57 18.588 4.762 7.128 1.00 0.00 C ATOM 904 CD1 LEU A 57 19.443 5.624 8.043 1.00 0.00 C ATOM 905 CD2 LEU A 57 17.881 3.675 7.924 1.00 0.00 C ATOM 0 H LEU A 57 16.167 7.137 4.984 1.00 0.00 H new ATOM 0 HA LEU A 57 18.997 6.622 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.307 6.472 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.663 5.036 6.235 1.00 0.00 H new ATOM 0 HG LEU A 57 19.242 4.284 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.161 4.995 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.978 6.366 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.805 6.130 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.620 3.073 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.204 4.134 8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.312 3.039 7.246 1.00 0.00 H new ATOM 917 N THR A 58 19.357 4.493 3.856 1.00 0.00 N ATOM 918 CA THR A 58 19.606 3.389 2.938 1.00 0.00 C ATOM 919 C THR A 58 19.771 2.074 3.691 1.00 0.00 C ATOM 920 O THR A 58 20.069 2.047 4.885 1.00 0.00 O ATOM 921 CB THR A 58 20.865 3.640 2.086 1.00 0.00 C ATOM 922 OG1 THR A 58 21.721 4.582 2.743 1.00 0.00 O ATOM 923 CG2 THR A 58 20.490 4.163 0.708 1.00 0.00 C ATOM 0 H THR A 58 20.186 4.829 4.347 1.00 0.00 H new ATOM 0 HA THR A 58 18.738 3.323 2.281 1.00 0.00 H new ATOM 0 HB THR A 58 21.391 2.693 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.520 4.735 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.395 4.333 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.862 3.431 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.943 5.100 0.811 1.00 0.00 H new ATOM 931 N PRO A 59 19.573 0.954 2.979 1.00 0.00 N ATOM 932 CA PRO A 59 19.695 -0.386 3.560 1.00 0.00 C ATOM 933 C PRO A 59 21.139 -0.741 3.900 1.00 0.00 C ATOM 934 O PRO A 59 21.395 -1.663 4.673 1.00 0.00 O ATOM 935 CB PRO A 59 19.166 -1.302 2.454 1.00 0.00 C ATOM 936 CG PRO A 59 19.386 -0.539 1.193 1.00 0.00 C ATOM 937 CD PRO A 59 19.215 0.911 1.551 1.00 0.00 C ATOM 0 HA PRO A 59 19.151 -0.473 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.698 -2.253 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.110 -1.530 2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.382 -0.727 0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.672 -0.838 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.864 1.552 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.192 1.249 1.383 1.00 0.00 H new ATOM 945 N TYR A 60 22.077 -0.002 3.318 1.00 0.00 N ATOM 946 CA TYR A 60 23.495 -0.241 3.558 1.00 0.00 C ATOM 947 C TYR A 60 23.815 -0.167 5.048 1.00 0.00 C ATOM 948 O TYR A 60 24.557 -0.995 5.577 1.00 0.00 O ATOM 949 CB TYR A 60 24.342 0.778 2.793 1.00 0.00 C ATOM 950 CG TYR A 60 25.634 0.207 2.252 1.00 0.00 C ATOM 951 CD1 TYR A 60 26.742 0.045 3.074 1.00 0.00 C ATOM 952 CD2 TYR A 60 25.745 -0.172 0.920 1.00 0.00 C ATOM 953 CE1 TYR A 60 27.924 -0.475 2.584 1.00 0.00 C ATOM 954 CE2 TYR A 60 26.923 -0.694 0.422 1.00 0.00 C ATOM 955 CZ TYR A 60 28.010 -0.844 1.258 1.00 0.00 C ATOM 956 OH TYR A 60 29.185 -1.364 0.766 1.00 0.00 O ATOM 0 H TYR A 60 21.881 0.767 2.677 1.00 0.00 H new ATOM 0 HA TYR A 60 23.734 -1.243 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.756 1.177 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 60 24.572 1.615 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 60 26.678 0.330 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 60 24.896 -0.057 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 60 28.777 -0.592 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.993 -0.983 -0.616 1.00 0.00 H new ATOM 0 HH TYR A 60 29.077 -1.573 -0.185 1.00 0.00 H new ATOM 966 N ASP A 61 23.249 0.830 5.720 1.00 0.00 N ATOM 967 CA ASP A 61 23.472 1.012 7.149 1.00 0.00 C ATOM 968 C ASP A 61 22.701 2.222 7.669 1.00 0.00 C ATOM 969 O ASP A 61 22.124 2.984 6.893 1.00 0.00 O ATOM 970 CB ASP A 61 24.964 1.181 7.438 1.00 0.00 C ATOM 971 CG ASP A 61 25.571 -0.048 8.086 1.00 0.00 C ATOM 972 OD1 ASP A 61 24.892 -0.668 8.932 1.00 0.00 O ATOM 973 OD2 ASP A 61 26.724 -0.389 7.749 1.00 0.00 O ATOM 0 H ASP A 61 22.633 1.524 5.298 1.00 0.00 H new ATOM 0 HA ASP A 61 23.109 0.122 7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 61 25.490 1.394 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 61 25.109 2.042 8.091 1.00 0.00 H new ATOM 978 N LEU A 62 22.694 2.391 8.987 1.00 0.00 N ATOM 979 CA LEU A 62 21.993 3.507 9.611 1.00 0.00 C ATOM 980 C LEU A 62 22.953 4.654 9.911 1.00 0.00 C ATOM 981 O LEU A 62 22.633 5.560 10.680 1.00 0.00 O ATOM 982 CB LEU A 62 21.310 3.049 10.901 1.00 0.00 C ATOM 983 CG LEU A 62 20.245 3.989 11.467 1.00 0.00 C ATOM 984 CD1 LEU A 62 18.859 3.561 11.013 1.00 0.00 C ATOM 985 CD2 LEU A 62 20.322 4.028 12.987 1.00 0.00 C ATOM 0 H LEU A 62 23.166 1.769 9.644 1.00 0.00 H new ATOM 0 HA LEU A 62 21.236 3.864 8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 20.849 2.078 10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.077 2.901 11.662 1.00 0.00 H new ATOM 0 HG LEU A 62 20.435 4.993 11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.115 4.242 11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.809 3.585 9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.658 2.548 11.363 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.557 4.702 13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.158 3.027 13.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 21.306 4.383 13.292 1.00 0.00 H new ATOM 997 N SER A 63 24.130 4.609 9.296 1.00 0.00 N ATOM 998 CA SER A 63 25.138 5.644 9.498 1.00 0.00 C ATOM 999 C SER A 63 25.470 6.343 8.183 1.00 0.00 C ATOM 1000 O SER A 63 26.530 6.953 8.042 1.00 0.00 O ATOM 1001 CB SER A 63 26.407 5.039 10.101 1.00 0.00 C ATOM 1002 OG SER A 63 27.063 5.967 10.947 1.00 0.00 O ATOM 0 H SER A 63 24.410 3.867 8.654 1.00 0.00 H new ATOM 0 HA SER A 63 24.732 6.382 10.190 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.153 4.143 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 63 27.082 4.731 9.302 1.00 0.00 H new ATOM 0 HG SER A 63 27.870 5.555 11.321 1.00 0.00 H new ATOM 1008 N ARG A 64 24.555 6.250 7.223 1.00 0.00 N ATOM 1009 CA ARG A 64 24.750 6.872 5.919 1.00 0.00 C ATOM 1010 C ARG A 64 23.429 6.973 5.162 1.00 0.00 C ATOM 1011 O ARG A 64 22.830 5.960 4.801 1.00 0.00 O ATOM 1012 CB ARG A 64 25.762 6.073 5.095 1.00 0.00 C ATOM 1013 CG ARG A 64 25.419 4.597 4.974 1.00 0.00 C ATOM 1014 CD ARG A 64 26.602 3.791 4.460 1.00 0.00 C ATOM 1015 NE ARG A 64 27.207 4.400 3.278 1.00 0.00 N ATOM 1016 CZ ARG A 64 26.626 4.422 2.084 1.00 0.00 C ATOM 1017 NH1 ARG A 64 25.432 3.872 1.913 1.00 0.00 N ATOM 1018 NH2 ARG A 64 27.240 4.995 1.056 1.00 0.00 N ATOM 0 H ARG A 64 23.672 5.750 7.324 1.00 0.00 H new ATOM 0 HA ARG A 64 25.136 7.879 6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 64 25.827 6.505 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 64 26.748 6.172 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.111 4.213 5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.572 4.473 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 64 27.351 3.705 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.274 2.780 4.219 1.00 0.00 H new ATOM 0 HE ARG A 64 28.126 4.832 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.957 3.430 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.989 3.891 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.159 5.419 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.793 5.011 0.139 1.00 0.00 H new ATOM 1032 N ALA A 65 22.981 8.201 4.925 1.00 0.00 N ATOM 1033 CA ALA A 65 21.733 8.435 4.211 1.00 0.00 C ATOM 1034 C ALA A 65 21.895 9.535 3.167 1.00 0.00 C ATOM 1035 O ALA A 65 22.961 10.140 3.050 1.00 0.00 O ATOM 1036 CB ALA A 65 20.623 8.792 5.189 1.00 0.00 C ATOM 0 H ALA A 65 23.465 9.050 5.218 1.00 0.00 H new ATOM 0 HA ALA A 65 21.463 7.515 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.697 8.964 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.481 7.972 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.895 9.696 5.734 1.00 0.00 H new ATOM 1042 N ARG A 66 20.831 9.789 2.412 1.00 0.00 N ATOM 1043 CA ARG A 66 20.857 10.816 1.377 1.00 0.00 C ATOM 1044 C ARG A 66 20.167 12.089 1.857 1.00 0.00 C ATOM 1045 O ARG A 66 19.062 12.042 2.399 1.00 0.00 O ATOM 1046 CB ARG A 66 20.179 10.305 0.105 1.00 0.00 C ATOM 1047 CG ARG A 66 18.692 10.039 0.271 1.00 0.00 C ATOM 1048 CD ARG A 66 18.133 9.246 -0.900 1.00 0.00 C ATOM 1049 NE ARG A 66 18.366 9.917 -2.176 1.00 0.00 N ATOM 1050 CZ ARG A 66 18.029 9.398 -3.351 1.00 0.00 C ATOM 1051 NH1 ARG A 66 17.447 8.208 -3.412 1.00 0.00 N ATOM 1052 NH2 ARG A 66 18.274 10.069 -4.469 1.00 0.00 N ATOM 0 H ARG A 66 19.941 9.298 2.497 1.00 0.00 H new ATOM 0 HA ARG A 66 21.899 11.049 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.322 11.036 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.670 9.386 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.521 9.491 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.159 10.986 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.592 8.258 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.062 9.097 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 66 18.812 10.834 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.257 7.689 -2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.189 7.812 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.722 10.985 -4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.015 9.669 -5.371 1.00 0.00 H new ATOM 1066 N ILE A 67 20.826 13.225 1.656 1.00 0.00 N ATOM 1067 CA ILE A 67 20.275 14.511 2.068 1.00 0.00 C ATOM 1068 C ILE A 67 19.169 14.964 1.121 1.00 0.00 C ATOM 1069 O ILE A 67 19.383 15.094 -0.084 1.00 0.00 O ATOM 1070 CB ILE A 67 21.365 15.598 2.124 1.00 0.00 C ATOM 1071 CG1 ILE A 67 22.526 15.142 3.011 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.782 16.906 2.637 1.00 0.00 C ATOM 1073 CD1 ILE A 67 22.155 15.010 4.471 1.00 0.00 C ATOM 0 H ILE A 67 21.742 13.282 1.211 1.00 0.00 H new ATOM 0 HA ILE A 67 19.860 14.372 3.066 1.00 0.00 H new ATOM 0 HB ILE A 67 21.746 15.763 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.893 14.181 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 67 23.346 15.853 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 67 21.564 17.664 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.986 17.236 1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 67 20.378 16.756 3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 67 23.026 14.683 5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 67 21.816 15.975 4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 67 21.356 14.277 4.578 1.00 0.00 H new ATOM 1085 N VAL A 68 17.985 15.204 1.676 1.00 0.00 N ATOM 1086 CA VAL A 68 16.845 15.646 0.881 1.00 0.00 C ATOM 1087 C VAL A 68 16.479 17.091 1.202 1.00 0.00 C ATOM 1088 O VAL A 68 16.881 17.630 2.233 1.00 0.00 O ATOM 1089 CB VAL A 68 15.614 14.751 1.120 1.00 0.00 C ATOM 1090 CG1 VAL A 68 14.599 14.930 0.001 1.00 0.00 C ATOM 1091 CG2 VAL A 68 16.032 13.293 1.243 1.00 0.00 C ATOM 0 H VAL A 68 17.790 15.100 2.672 1.00 0.00 H new ATOM 0 HA VAL A 68 17.141 15.573 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 68 15.144 15.051 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.736 14.290 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.278 15.971 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 68 15.055 14.657 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.150 12.675 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.526 12.977 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.719 13.181 2.082 1.00 0.00 H new ATOM 1101 N PHE A 69 15.712 17.713 0.312 1.00 0.00 N ATOM 1102 CA PHE A 69 15.291 19.096 0.500 1.00 0.00 C ATOM 1103 C PHE A 69 14.713 19.304 1.896 1.00 0.00 C ATOM 1104 O PHE A 69 14.393 18.343 2.597 1.00 0.00 O ATOM 1105 CB PHE A 69 14.254 19.484 -0.557 1.00 0.00 C ATOM 1106 CG PHE A 69 14.680 19.161 -1.961 1.00 0.00 C ATOM 1107 CD1 PHE A 69 15.960 19.462 -2.397 1.00 0.00 C ATOM 1108 CD2 PHE A 69 13.799 18.558 -2.844 1.00 0.00 C ATOM 1109 CE1 PHE A 69 16.354 19.166 -3.688 1.00 0.00 C ATOM 1110 CE2 PHE A 69 14.188 18.259 -4.136 1.00 0.00 C ATOM 1111 CZ PHE A 69 15.467 18.565 -4.559 1.00 0.00 C ATOM 0 H PHE A 69 15.370 17.281 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 69 16.168 19.734 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.318 18.969 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.054 20.553 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.658 19.933 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.797 18.319 -2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.355 19.405 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 69 13.493 17.787 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.773 18.335 -5.569 1.00 0.00 H new ATOM 1121 N ARG A 70 14.583 20.565 2.295 1.00 0.00 N ATOM 1122 CA ARG A 70 14.045 20.900 3.608 1.00 0.00 C ATOM 1123 C ARG A 70 12.737 20.158 3.865 1.00 0.00 C ATOM 1124 O ARG A 70 12.073 19.708 2.932 1.00 0.00 O ATOM 1125 CB ARG A 70 13.819 22.409 3.720 1.00 0.00 C ATOM 1126 CG ARG A 70 12.995 22.988 2.581 1.00 0.00 C ATOM 1127 CD ARG A 70 12.875 24.499 2.693 1.00 0.00 C ATOM 1128 NE ARG A 70 11.785 25.024 1.874 1.00 0.00 N ATOM 1129 CZ ARG A 70 11.241 26.222 2.054 1.00 0.00 C ATOM 1130 NH1 ARG A 70 11.683 27.016 3.020 1.00 0.00 N ATOM 1131 NH2 ARG A 70 10.253 26.628 1.267 1.00 0.00 N ATOM 0 H ARG A 70 14.843 21.372 1.728 1.00 0.00 H new ATOM 0 HA ARG A 70 14.771 20.592 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.319 22.624 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.786 22.911 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.456 22.728 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.001 22.542 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.710 24.773 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.814 24.961 2.387 1.00 0.00 H new ATOM 0 HE ARG A 70 11.422 24.438 1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.442 26.707 3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.263 27.936 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.911 26.020 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.836 27.548 1.406 1.00 0.00 H new ATOM 1145 N ALA A 71 12.373 20.034 5.137 1.00 0.00 N ATOM 1146 CA ALA A 71 11.144 19.348 5.517 1.00 0.00 C ATOM 1147 C ALA A 71 9.922 20.215 5.234 1.00 0.00 C ATOM 1148 O ALA A 71 9.790 21.316 5.770 1.00 0.00 O ATOM 1149 CB ALA A 71 11.190 18.960 6.988 1.00 0.00 C ATOM 0 H ALA A 71 12.912 20.400 5.922 1.00 0.00 H new ATOM 0 HA ALA A 71 11.061 18.442 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.266 18.449 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.037 18.296 7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.300 19.857 7.598 1.00 0.00 H new ATOM 1155 N LYS A 72 9.029 19.712 4.388 1.00 0.00 N ATOM 1156 CA LYS A 72 7.816 20.440 4.033 1.00 0.00 C ATOM 1157 C LYS A 72 6.895 20.583 5.240 1.00 0.00 C ATOM 1158 O LYS A 72 6.769 19.663 6.050 1.00 0.00 O ATOM 1159 CB LYS A 72 7.081 19.723 2.899 1.00 0.00 C ATOM 1160 CG LYS A 72 5.740 20.347 2.554 1.00 0.00 C ATOM 1161 CD LYS A 72 5.905 21.751 1.997 1.00 0.00 C ATOM 1162 CE LYS A 72 4.831 22.072 0.968 1.00 0.00 C ATOM 1163 NZ LYS A 72 4.495 23.523 0.953 1.00 0.00 N ATOM 0 H LYS A 72 9.123 18.803 3.935 1.00 0.00 H new ATOM 0 HA LYS A 72 8.104 21.436 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.712 19.724 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.926 18.681 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.225 19.723 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.113 20.379 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.858 22.474 2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.890 21.849 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.173 21.768 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.934 21.493 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.760 23.702 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.145 23.808 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.346 24.074 0.719 1.00 0.00 H new TER 1177 LYS A 72