USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 902 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 8 GLN : amide:sc= -2.77! K(o=-1.9!,f=3.2) USER MOD Set 1.2: A 14 TYR OH : rot 61:sc= 0.001 USER MOD Set 1.3: B 58 THR OG1 : rot -34:sc= 0.863 USER MOD Set 2.1: B 19 LYS NZ :NH3+ -146:sc= 1.58 (180deg=-0.966) USER MOD Set 2.2: B 25 THR OG1 : rot 173:sc= 0.492 USER MOD Set 3.1: B 8 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Set 3.2: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: B 7 TYR OH : rot 44:sc= 0.576 USER MOD Set 4.2: B 28 SER OG : rot 29:sc= 0.464 USER MOD Set 5.1: A 19 LYS NZ :NH3+ -151:sc= 1.65 (180deg=-0.855) USER MOD Set 5.2: A 25 THR OG1 : rot 170:sc= 0.597 USER MOD Set 6.1: A 7 TYR OH : rot -121:sc= 0.672 USER MOD Set 6.2: A 28 SER OG : rot -127:sc= 0.0872 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.213 (180deg=-0.829) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.0714 (180deg=0) USER MOD Single : A 2 TYR OH : rot -130:sc= -1.13 USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= -0.0186 (180deg=-0.132) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.345 X(o=0.35,f=0) USER MOD Single : A 26 MET CE :methyl -159:sc= -5.74! (180deg=-7.11!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00602 (180deg=-0.138) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.509 K(o=-0.51,f=0.13) USER MOD Single : A 44 SER OG : rot -125:sc= -0.698 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.16 (180deg=-0.977) USER MOD Single : A 48 ASN : amide:sc= -0.0419 X(o=-0.042,f=-0.25) USER MOD Single : A 49 SER OG : rot 83:sc= -0.0675 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -24:sc= 0.541 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : B 1 MET CE :methyl -159:sc= -0.154 (180deg=-1.02) USER MOD Single : B 1 MET N :NH3+ -113:sc= 0.105 (180deg=0) USER MOD Single : B 2 TYR OH : rot 0:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 158:sc= -1.71 (180deg=-3.49!) USER MOD Single : B 10 LYS NZ :NH3+ 168:sc= -0.0101 (180deg=-0.153) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.035) USER MOD Single : B 26 MET CE :methyl -155:sc= -5.75! (180deg=-7.05!) USER MOD Single : B 29 SER OG : rot -31:sc= 0.45 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.037) USER MOD Single : B 44 SER OG : rot -120:sc= -0.555 USER MOD Single : B 46 LYS NZ :NH3+ -157:sc= 1.3 (180deg=0.191) USER MOD Single : B 48 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.4) USER MOD Single : B 49 SER OG : rot 9:sc= -0.232 USER MOD Single : B 54 THR OG1 : rot 180:sc=-0.00585 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.955 7.086 10.643 1.00 0.00 N ATOM 2 CA MET A 1 -11.185 7.608 9.484 1.00 0.00 C ATOM 3 C MET A 1 -10.240 6.519 8.953 1.00 0.00 C ATOM 4 O MET A 1 -9.877 5.590 9.694 1.00 0.00 O ATOM 5 CB MET A 1 -10.403 8.887 9.909 1.00 0.00 C ATOM 6 CG MET A 1 -9.707 9.657 8.775 1.00 0.00 C ATOM 7 SD MET A 1 -8.962 11.209 9.328 1.00 0.00 S ATOM 8 CE MET A 1 -10.400 12.107 9.919 1.00 0.00 C ATOM 0 H1 MET A 1 -12.900 6.790 10.327 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.456 6.271 11.053 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.049 7.832 11.362 1.00 0.00 H new ATOM 0 HA MET A 1 -11.867 7.880 8.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.096 9.563 10.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.650 8.602 10.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.935 9.026 8.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.432 9.868 7.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.180 13.174 9.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.243 11.922 9.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.651 11.771 10.925 1.00 0.00 H new ATOM 18 N TYR A 2 -9.868 6.624 7.659 1.00 0.00 N ATOM 19 CA TYR A 2 -8.832 5.767 7.054 1.00 0.00 C ATOM 20 C TYR A 2 -7.462 6.022 7.699 1.00 0.00 C ATOM 21 O TYR A 2 -7.148 7.142 8.121 1.00 0.00 O ATOM 22 CB TYR A 2 -8.754 5.938 5.506 1.00 0.00 C ATOM 23 CG TYR A 2 -9.022 7.349 4.952 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.335 8.475 5.412 1.00 0.00 C ATOM 25 CD2 TYR A 2 -9.985 7.547 3.958 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.623 9.730 4.921 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.261 8.796 3.466 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.583 9.877 3.943 1.00 0.00 C ATOM 29 OH TYR A 2 -9.894 11.123 3.466 1.00 0.00 O ATOM 0 H TYR A 2 -10.275 7.299 7.012 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.121 4.734 7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -7.762 5.627 5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -9.469 5.252 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.567 8.360 6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -10.524 6.696 3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.099 10.595 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.014 8.923 2.702 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.866 11.246 3.483 1.00 0.00 H new ATOM 39 N LYS A 3 -6.657 4.961 7.731 1.00 0.00 N ATOM 40 CA LYS A 3 -5.381 4.916 8.447 1.00 0.00 C ATOM 41 C LYS A 3 -4.558 3.708 7.980 1.00 0.00 C ATOM 42 O LYS A 3 -5.034 2.872 7.194 1.00 0.00 O ATOM 43 CB LYS A 3 -5.572 4.916 10.016 1.00 0.00 C ATOM 44 CG LYS A 3 -6.807 4.166 10.584 1.00 0.00 C ATOM 45 CD LYS A 3 -6.882 2.674 10.186 1.00 0.00 C ATOM 46 CE LYS A 3 -8.062 1.946 10.846 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.356 2.638 10.607 1.00 0.00 N ATOM 0 H LYS A 3 -6.878 4.089 7.250 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.832 5.827 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.678 4.482 10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.624 5.952 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.794 4.240 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.712 4.668 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.971 2.595 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.952 2.180 10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.120 0.928 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.885 1.871 11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.135 2.051 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.356 3.554 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.483 2.793 9.587 1.00 0.00 H new ATOM 61 N PHE A 4 -3.333 3.626 8.500 1.00 0.00 N ATOM 62 CA PHE A 4 -2.364 2.592 8.155 1.00 0.00 C ATOM 63 C PHE A 4 -2.347 1.530 9.249 1.00 0.00 C ATOM 64 O PHE A 4 -1.858 1.772 10.355 1.00 0.00 O ATOM 65 CB PHE A 4 -0.969 3.222 7.973 1.00 0.00 C ATOM 66 CG PHE A 4 -0.935 4.265 6.865 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.217 5.606 7.136 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.638 3.903 5.556 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.199 6.547 6.135 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.617 4.846 4.557 1.00 0.00 C ATOM 71 CZ PHE A 4 -0.899 6.165 4.850 1.00 0.00 C ATOM 0 H PHE A 4 -2.982 4.292 9.188 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.647 2.118 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.658 3.684 8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.247 2.437 7.749 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.452 5.907 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.422 2.871 5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.419 7.581 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.380 4.556 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.884 6.903 4.062 1.00 0.00 H new ATOM 81 N GLU A 5 -2.895 0.359 8.924 1.00 0.00 N ATOM 82 CA GLU A 5 -2.974 -0.757 9.860 1.00 0.00 C ATOM 83 C GLU A 5 -1.760 -1.661 9.663 1.00 0.00 C ATOM 84 O GLU A 5 -1.652 -2.340 8.636 1.00 0.00 O ATOM 85 CB GLU A 5 -4.294 -1.545 9.684 1.00 0.00 C ATOM 86 CG GLU A 5 -5.542 -0.810 10.208 1.00 0.00 C ATOM 87 CD GLU A 5 -6.774 -1.718 10.285 1.00 0.00 C ATOM 88 OE1 GLU A 5 -6.931 -2.435 11.290 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.557 -1.768 9.319 1.00 0.00 O ATOM 0 H GLU A 5 -3.295 0.160 8.007 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.970 -0.369 10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.434 -1.766 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.205 -2.501 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.331 -0.405 11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.760 0.037 9.557 1.00 0.00 H new ATOM 96 N ILE A 6 -0.851 -1.655 10.662 1.00 0.00 N ATOM 97 CA ILE A 6 0.415 -2.388 10.617 1.00 0.00 C ATOM 98 C ILE A 6 0.258 -3.651 11.436 1.00 0.00 C ATOM 99 O ILE A 6 0.006 -3.591 12.643 1.00 0.00 O ATOM 100 CB ILE A 6 1.613 -1.569 11.219 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.678 -0.154 10.581 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.963 -2.337 11.035 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.685 0.764 11.232 1.00 0.00 C ATOM 0 H ILE A 6 -0.985 -1.133 11.528 1.00 0.00 H new ATOM 0 HA ILE A 6 0.641 -2.594 9.571 1.00 0.00 H new ATOM 0 HB ILE A 6 1.446 -1.450 12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.922 -0.254 9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.691 0.306 10.638 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.777 -1.749 11.460 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.906 -3.299 11.544 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.148 -2.498 9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.672 1.732 10.731 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.431 0.896 12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.681 0.328 11.151 1.00 0.00 H new ATOM 115 N TYR A 7 0.408 -4.776 10.790 1.00 0.00 N ATOM 116 CA TYR A 7 0.313 -6.076 11.435 1.00 0.00 C ATOM 117 C TYR A 7 1.424 -6.989 10.904 1.00 0.00 C ATOM 118 O TYR A 7 2.290 -6.562 10.132 1.00 0.00 O ATOM 119 CB TYR A 7 -1.111 -6.666 11.217 1.00 0.00 C ATOM 120 CG TYR A 7 -1.520 -6.762 9.745 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.220 -7.895 8.986 1.00 0.00 C ATOM 122 CD2 TYR A 7 -2.186 -5.708 9.112 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.568 -7.972 7.658 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.532 -5.786 7.786 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.222 -6.919 7.065 1.00 0.00 C ATOM 126 OH TYR A 7 -2.564 -7.003 5.743 1.00 0.00 O ATOM 0 H TYR A 7 0.602 -4.826 9.790 1.00 0.00 H new ATOM 0 HA TYR A 7 0.457 -5.983 12.511 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.155 -7.660 11.662 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.836 -6.047 11.746 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.706 -8.724 9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.432 -4.820 9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.329 -8.855 7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.045 -4.963 7.310 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.143 -6.269 5.249 1.00 0.00 H new ATOM 136 N GLN A 8 1.423 -8.225 11.373 1.00 0.00 N ATOM 137 CA GLN A 8 2.209 -9.312 10.776 1.00 0.00 C ATOM 138 C GLN A 8 1.280 -10.494 10.488 1.00 0.00 C ATOM 139 O GLN A 8 0.204 -10.623 11.090 1.00 0.00 O ATOM 140 CB GLN A 8 3.409 -9.722 11.689 1.00 0.00 C ATOM 141 CG GLN A 8 3.093 -10.666 12.867 1.00 0.00 C ATOM 142 CD GLN A 8 4.201 -10.687 13.928 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.156 -9.957 14.910 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.235 -11.469 13.702 1.00 0.00 N ATOM 0 H GLN A 8 0.876 -8.513 12.184 1.00 0.00 H new ATOM 0 HA GLN A 8 2.646 -8.968 9.838 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.164 -10.199 11.064 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.856 -8.813 12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.157 -10.357 13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.942 -11.676 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.250 -12.069 12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.021 -11.475 14.352 1.00 0.00 H new ATOM 153 N ASP A 9 1.698 -11.324 9.539 1.00 0.00 N ATOM 154 CA ASP A 9 1.012 -12.565 9.191 1.00 0.00 C ATOM 155 C ASP A 9 1.495 -13.665 10.142 1.00 0.00 C ATOM 156 O ASP A 9 2.547 -13.503 10.756 1.00 0.00 O ATOM 157 CB ASP A 9 1.318 -12.916 7.714 1.00 0.00 C ATOM 158 CG ASP A 9 0.684 -14.234 7.239 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.557 -14.320 7.177 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.424 -15.205 6.959 1.00 0.00 O ATOM 0 H ASP A 9 2.535 -11.152 8.981 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.068 -12.461 9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.964 -12.105 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.398 -12.976 7.582 1.00 0.00 H new ATOM 165 N LYS A 10 0.718 -14.766 10.244 1.00 0.00 N ATOM 166 CA LYS A 10 1.061 -15.976 11.038 1.00 0.00 C ATOM 167 C LYS A 10 2.497 -16.491 10.765 1.00 0.00 C ATOM 168 O LYS A 10 3.176 -16.979 11.665 1.00 0.00 O ATOM 169 CB LYS A 10 -0.023 -17.089 10.820 1.00 0.00 C ATOM 170 CG LYS A 10 -0.481 -17.351 9.358 1.00 0.00 C ATOM 171 CD LYS A 10 0.500 -18.187 8.508 1.00 0.00 C ATOM 172 CE LYS A 10 0.766 -19.591 9.081 1.00 0.00 C ATOM 173 NZ LYS A 10 1.663 -20.379 8.205 1.00 0.00 N ATOM 0 H LYS A 10 -0.182 -14.844 9.770 1.00 0.00 H new ATOM 0 HA LYS A 10 1.055 -15.693 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.364 -18.023 11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.902 -16.826 11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.444 -17.861 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.639 -16.392 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.101 -18.285 7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.446 -17.651 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.212 -19.501 10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.180 -20.119 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.819 -21.318 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.226 -20.486 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.574 -19.887 8.109 1.00 0.00 H new ATOM 187 N ALA A 11 2.939 -16.340 9.498 1.00 0.00 N ATOM 188 CA ALA A 11 4.316 -16.666 9.048 1.00 0.00 C ATOM 189 C ALA A 11 5.373 -15.634 9.546 1.00 0.00 C ATOM 190 O ALA A 11 6.534 -15.671 9.132 1.00 0.00 O ATOM 191 CB ALA A 11 4.332 -16.778 7.513 1.00 0.00 C ATOM 0 H ALA A 11 2.346 -15.985 8.748 1.00 0.00 H new ATOM 0 HA ALA A 11 4.598 -17.621 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.341 -17.017 7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.648 -17.566 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.019 -15.830 7.076 1.00 0.00 H new ATOM 197 N GLY A 12 4.946 -14.743 10.452 1.00 0.00 N ATOM 198 CA GLY A 12 5.766 -13.681 11.020 1.00 0.00 C ATOM 199 C GLY A 12 6.001 -12.530 10.055 1.00 0.00 C ATOM 200 O GLY A 12 6.864 -11.684 10.303 1.00 0.00 O ATOM 0 H GLY A 12 3.993 -14.747 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.284 -13.300 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.727 -14.095 11.324 1.00 0.00 H new ATOM 204 N GLU A 13 5.185 -12.461 8.984 1.00 0.00 N ATOM 205 CA GLU A 13 5.460 -11.568 7.837 1.00 0.00 C ATOM 206 C GLU A 13 4.830 -10.190 8.050 1.00 0.00 C ATOM 207 O GLU A 13 3.628 -10.021 7.832 1.00 0.00 O ATOM 208 CB GLU A 13 4.960 -12.204 6.511 1.00 0.00 C ATOM 209 CG GLU A 13 5.722 -13.474 6.096 1.00 0.00 C ATOM 210 CD GLU A 13 5.350 -13.949 4.686 1.00 0.00 C ATOM 211 OE1 GLU A 13 5.797 -13.325 3.703 1.00 0.00 O ATOM 212 OE2 GLU A 13 4.610 -14.935 4.544 1.00 0.00 O ATOM 0 H GLU A 13 4.332 -13.011 8.888 1.00 0.00 H new ATOM 0 HA GLU A 13 6.540 -11.436 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.902 -12.445 6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.043 -11.466 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.794 -13.281 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.512 -14.270 6.811 1.00 0.00 H new ATOM 219 N TYR A 14 5.637 -9.230 8.550 1.00 0.00 N ATOM 220 CA TYR A 14 5.201 -7.832 8.711 1.00 0.00 C ATOM 221 C TYR A 14 4.689 -7.236 7.386 1.00 0.00 C ATOM 222 O TYR A 14 5.433 -7.083 6.419 1.00 0.00 O ATOM 223 CB TYR A 14 6.306 -6.952 9.352 1.00 0.00 C ATOM 224 CG TYR A 14 6.556 -7.332 10.814 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.671 -6.917 11.813 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.631 -8.134 11.194 1.00 0.00 C ATOM 227 CE1 TYR A 14 5.849 -7.287 13.131 1.00 0.00 C ATOM 228 CE2 TYR A 14 7.817 -8.500 12.512 1.00 0.00 C ATOM 229 CZ TYR A 14 6.923 -8.077 13.477 1.00 0.00 C ATOM 230 OH TYR A 14 7.100 -8.455 14.793 1.00 0.00 O ATOM 0 H TYR A 14 6.597 -9.402 8.849 1.00 0.00 H new ATOM 0 HA TYR A 14 4.359 -7.839 9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.231 -7.059 8.785 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.016 -5.903 9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.830 -6.293 11.548 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.330 -8.475 10.445 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.150 -6.959 13.886 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.660 -9.116 12.788 1.00 0.00 H new ATOM 0 HH TYR A 14 6.327 -8.980 15.089 1.00 0.00 H new ATOM 240 N ARG A 15 3.382 -6.952 7.405 1.00 0.00 N ATOM 241 CA ARG A 15 2.608 -6.407 6.291 1.00 0.00 C ATOM 242 C ARG A 15 1.709 -5.311 6.847 1.00 0.00 C ATOM 243 O ARG A 15 1.066 -5.510 7.880 1.00 0.00 O ATOM 244 CB ARG A 15 1.714 -7.511 5.668 1.00 0.00 C ATOM 245 CG ARG A 15 2.447 -8.776 5.174 1.00 0.00 C ATOM 246 CD ARG A 15 1.481 -9.957 5.038 1.00 0.00 C ATOM 247 NE ARG A 15 2.124 -11.189 4.546 1.00 0.00 N ATOM 248 CZ ARG A 15 1.468 -12.320 4.238 1.00 0.00 C ATOM 249 NH1 ARG A 15 0.140 -12.371 4.308 1.00 0.00 N ATOM 250 NH2 ARG A 15 2.136 -13.392 3.857 1.00 0.00 N ATOM 0 H ARG A 15 2.812 -7.104 8.237 1.00 0.00 H new ATOM 0 HA ARG A 15 3.281 -6.022 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.972 -7.811 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.170 -7.079 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.917 -8.575 4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.245 -9.033 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.025 -10.157 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.675 -9.681 4.358 1.00 0.00 H new ATOM 0 HE ARG A 15 3.138 -11.182 4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.387 -11.547 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.350 -13.234 4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.154 -13.364 3.796 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.635 -14.249 3.624 1.00 0.00 H new ATOM 264 N PHE A 16 1.621 -4.178 6.159 1.00 0.00 N ATOM 265 CA PHE A 16 0.660 -3.131 6.511 1.00 0.00 C ATOM 266 C PHE A 16 -0.225 -2.825 5.317 1.00 0.00 C ATOM 267 O PHE A 16 0.017 -3.310 4.196 1.00 0.00 O ATOM 268 CB PHE A 16 1.354 -1.858 7.067 1.00 0.00 C ATOM 269 CG PHE A 16 2.231 -1.078 6.095 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.563 -1.417 5.911 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.728 0.015 5.391 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.372 -0.698 5.053 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.536 0.733 4.541 1.00 0.00 C ATOM 274 CZ PHE A 16 3.859 0.378 4.373 1.00 0.00 C ATOM 0 H PHE A 16 2.204 -3.958 5.351 1.00 0.00 H new ATOM 0 HA PHE A 16 0.031 -3.502 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.582 -1.186 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.967 -2.149 7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.975 -2.258 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.694 0.301 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.405 -0.982 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.134 1.578 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.490 0.947 3.707 1.00 0.00 H new ATOM 284 N ARG A 17 -1.265 -2.046 5.599 1.00 0.00 N ATOM 285 CA ARG A 17 -2.274 -1.634 4.622 1.00 0.00 C ATOM 286 C ARG A 17 -2.682 -0.181 4.844 1.00 0.00 C ATOM 287 O ARG A 17 -2.299 0.438 5.842 1.00 0.00 O ATOM 288 CB ARG A 17 -3.517 -2.560 4.746 1.00 0.00 C ATOM 289 CG ARG A 17 -4.189 -2.569 6.132 1.00 0.00 C ATOM 290 CD ARG A 17 -5.381 -3.534 6.206 1.00 0.00 C ATOM 291 NE ARG A 17 -5.887 -3.691 7.581 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.076 -4.859 8.214 1.00 0.00 C ATOM 293 NH1 ARG A 17 -5.868 -6.017 7.590 1.00 0.00 N ATOM 294 NH2 ARG A 17 -6.496 -4.864 9.465 1.00 0.00 N ATOM 0 H ARG A 17 -1.436 -1.674 6.533 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.851 -1.719 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.254 -2.254 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.218 -3.578 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.453 -2.848 6.886 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.527 -1.561 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.183 -3.167 5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.082 -4.508 5.817 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.113 -2.840 8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.561 -6.024 6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.016 -6.897 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.675 -3.983 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.641 -5.749 9.951 1.00 0.00 H new ATOM 308 N PHE A 18 -3.479 0.339 3.900 1.00 0.00 N ATOM 309 CA PHE A 18 -4.192 1.615 4.059 1.00 0.00 C ATOM 310 C PHE A 18 -5.666 1.350 3.781 1.00 0.00 C ATOM 311 O PHE A 18 -6.022 0.551 2.895 1.00 0.00 O ATOM 312 CB PHE A 18 -3.639 2.731 3.128 1.00 0.00 C ATOM 313 CG PHE A 18 -4.336 4.091 3.244 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.475 4.720 4.478 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.843 4.736 2.119 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.099 5.944 4.581 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.463 5.964 2.218 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.592 6.568 3.452 1.00 0.00 C ATOM 0 H PHE A 18 -3.648 -0.114 3.002 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.047 1.985 5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.579 2.866 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.715 2.390 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.089 4.242 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.749 4.266 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.203 6.416 5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.846 6.451 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.078 7.529 3.535 1.00 0.00 H new ATOM 328 N LYS A 19 -6.504 1.990 4.575 1.00 0.00 N ATOM 329 CA LYS A 19 -7.945 1.816 4.537 1.00 0.00 C ATOM 330 C LYS A 19 -8.618 2.939 3.733 1.00 0.00 C ATOM 331 O LYS A 19 -7.955 3.809 3.160 1.00 0.00 O ATOM 332 CB LYS A 19 -8.468 1.776 6.000 1.00 0.00 C ATOM 333 CG LYS A 19 -7.903 0.596 6.831 1.00 0.00 C ATOM 334 CD LYS A 19 -8.326 -0.784 6.263 1.00 0.00 C ATOM 335 CE LYS A 19 -9.843 -1.041 6.377 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.250 -2.332 5.772 1.00 0.00 N ATOM 0 H LYS A 19 -6.196 2.660 5.280 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.192 0.881 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.211 2.713 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.556 1.711 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.815 0.659 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.248 0.683 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.030 -0.846 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.789 -1.570 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.132 -1.030 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.383 -0.229 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.229 -2.261 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.619 -2.557 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.189 -3.085 6.487 1.00 0.00 H new ATOM 350 N ALA A 20 -9.949 2.878 3.694 1.00 0.00 N ATOM 351 CA ALA A 20 -10.817 3.903 3.110 1.00 0.00 C ATOM 352 C ALA A 20 -11.856 4.298 4.171 1.00 0.00 C ATOM 353 O ALA A 20 -12.049 3.560 5.144 1.00 0.00 O ATOM 354 CB ALA A 20 -11.488 3.389 1.824 1.00 0.00 C ATOM 0 H ALA A 20 -10.470 2.090 4.079 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.232 4.777 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.127 4.169 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.722 3.123 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.091 2.510 2.054 1.00 0.00 H new ATOM 360 N SER A 21 -12.473 5.479 4.001 1.00 0.00 N ATOM 361 CA SER A 21 -13.541 6.006 4.890 1.00 0.00 C ATOM 362 C SER A 21 -14.696 5.002 5.149 1.00 0.00 C ATOM 363 O SER A 21 -15.317 5.029 6.216 1.00 0.00 O ATOM 364 CB SER A 21 -14.101 7.314 4.282 1.00 0.00 C ATOM 365 OG SER A 21 -14.573 7.098 2.955 1.00 0.00 O ATOM 0 H SER A 21 -12.246 6.110 3.232 1.00 0.00 H new ATOM 0 HA SER A 21 -13.084 6.190 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.913 7.690 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.324 8.078 4.276 1.00 0.00 H new ATOM 0 HG SER A 21 -14.924 7.938 2.592 1.00 0.00 H new ATOM 371 N ASN A 22 -14.954 4.112 4.176 1.00 0.00 N ATOM 372 CA ASN A 22 -16.044 3.103 4.257 1.00 0.00 C ATOM 373 C ASN A 22 -15.555 1.788 4.920 1.00 0.00 C ATOM 374 O ASN A 22 -16.287 0.793 4.952 1.00 0.00 O ATOM 375 CB ASN A 22 -16.570 2.819 2.830 1.00 0.00 C ATOM 376 CG ASN A 22 -16.971 4.078 2.066 1.00 0.00 C ATOM 377 OD1 ASN A 22 -17.660 4.954 2.588 1.00 0.00 O ATOM 378 ND2 ASN A 22 -16.474 4.206 0.853 1.00 0.00 N ATOM 0 H ASN A 22 -14.418 4.065 3.309 1.00 0.00 H new ATOM 0 HA ASN A 22 -16.845 3.502 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.801 2.291 2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -17.431 2.153 2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.656 5.053 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.907 3.459 0.453 1.00 0.00 H new ATOM 385 N GLY A 23 -14.317 1.802 5.447 1.00 0.00 N ATOM 386 CA GLY A 23 -13.698 0.624 6.071 1.00 0.00 C ATOM 387 C GLY A 23 -13.178 -0.384 5.056 1.00 0.00 C ATOM 388 O GLY A 23 -13.156 -1.588 5.320 1.00 0.00 O ATOM 0 H GLY A 23 -13.721 2.630 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.875 0.948 6.708 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.428 0.137 6.717 1.00 0.00 H new ATOM 392 N GLU A 24 -12.722 0.126 3.899 1.00 0.00 N ATOM 393 CA GLU A 24 -12.282 -0.705 2.757 1.00 0.00 C ATOM 394 C GLU A 24 -10.749 -0.657 2.633 1.00 0.00 C ATOM 395 O GLU A 24 -10.186 0.427 2.557 1.00 0.00 O ATOM 396 CB GLU A 24 -12.916 -0.167 1.446 1.00 0.00 C ATOM 397 CG GLU A 24 -14.437 0.040 1.490 1.00 0.00 C ATOM 398 CD GLU A 24 -14.975 0.765 0.243 1.00 0.00 C ATOM 399 OE1 GLU A 24 -14.577 1.927 0.005 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.799 0.188 -0.499 1.00 0.00 O ATOM 0 H GLU A 24 -12.647 1.128 3.726 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.600 -1.734 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.444 0.783 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.683 -0.861 0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.929 -0.928 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.696 0.615 2.379 1.00 0.00 H new ATOM 407 N THR A 25 -10.072 -1.819 2.626 1.00 0.00 N ATOM 408 CA THR A 25 -8.631 -1.880 2.314 1.00 0.00 C ATOM 409 C THR A 25 -8.442 -1.786 0.791 1.00 0.00 C ATOM 410 O THR A 25 -9.135 -2.455 0.019 1.00 0.00 O ATOM 411 CB THR A 25 -7.953 -3.177 2.860 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.142 -3.265 4.273 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.446 -3.242 2.551 1.00 0.00 C ATOM 0 H THR A 25 -10.495 -2.724 2.831 1.00 0.00 H new ATOM 0 HA THR A 25 -8.146 -1.039 2.810 1.00 0.00 H new ATOM 0 HB THR A 25 -8.429 -4.016 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.860 -4.150 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.031 -4.165 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.294 -3.218 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.944 -2.389 3.007 1.00 0.00 H new ATOM 421 N MET A 26 -7.501 -0.936 0.387 1.00 0.00 N ATOM 422 CA MET A 26 -7.251 -0.618 -1.032 1.00 0.00 C ATOM 423 C MET A 26 -5.848 -1.068 -1.482 1.00 0.00 C ATOM 424 O MET A 26 -5.607 -1.203 -2.683 1.00 0.00 O ATOM 425 CB MET A 26 -7.560 0.885 -1.293 1.00 0.00 C ATOM 426 CG MET A 26 -7.182 1.831 -0.149 1.00 0.00 C ATOM 427 SD MET A 26 -5.427 1.840 0.204 1.00 0.00 S ATOM 428 CE MET A 26 -4.809 2.465 -1.343 1.00 0.00 C ATOM 0 H MET A 26 -6.883 -0.442 1.031 1.00 0.00 H new ATOM 0 HA MET A 26 -7.931 -1.192 -1.661 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.031 1.198 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.626 0.992 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.501 2.842 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.726 1.540 0.750 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.758 2.195 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.381 2.033 -2.164 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.909 3.550 -1.363 1.00 0.00 H new ATOM 438 N PHE A 27 -4.931 -1.300 -0.518 1.00 0.00 N ATOM 439 CA PHE A 27 -3.694 -2.079 -0.764 1.00 0.00 C ATOM 440 C PHE A 27 -3.045 -2.535 0.546 1.00 0.00 C ATOM 441 O PHE A 27 -3.396 -2.038 1.625 1.00 0.00 O ATOM 442 CB PHE A 27 -2.663 -1.346 -1.672 1.00 0.00 C ATOM 443 CG PHE A 27 -2.049 -0.031 -1.192 1.00 0.00 C ATOM 444 CD1 PHE A 27 -2.386 0.582 0.013 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.148 0.626 -2.016 1.00 0.00 C ATOM 446 CE1 PHE A 27 -1.847 1.797 0.360 1.00 0.00 C ATOM 447 CE2 PHE A 27 -0.628 1.846 -1.672 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.982 2.429 -0.485 1.00 0.00 C ATOM 0 H PHE A 27 -5.023 -0.959 0.439 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.012 -2.962 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.844 -2.039 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.148 -1.152 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.080 0.096 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.850 0.167 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.108 2.253 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.060 2.347 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.575 3.393 -0.216 1.00 0.00 H new ATOM 458 N SER A 28 -2.062 -3.438 0.397 1.00 0.00 N ATOM 459 CA SER A 28 -1.447 -4.156 1.524 1.00 0.00 C ATOM 460 C SER A 28 -0.291 -5.054 1.063 1.00 0.00 C ATOM 461 O SER A 28 0.131 -4.999 -0.094 1.00 0.00 O ATOM 462 CB SER A 28 -2.531 -5.013 2.242 1.00 0.00 C ATOM 463 OG SER A 28 -2.045 -5.645 3.408 1.00 0.00 O ATOM 0 H SER A 28 -1.671 -3.691 -0.511 1.00 0.00 H new ATOM 0 HA SER A 28 -1.036 -3.419 2.214 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.376 -4.376 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.905 -5.770 1.553 1.00 0.00 H new ATOM 0 HG SER A 28 -2.236 -6.605 3.363 1.00 0.00 H new ATOM 469 N SER A 29 0.275 -5.805 2.037 1.00 0.00 N ATOM 470 CA SER A 29 1.031 -7.063 1.795 1.00 0.00 C ATOM 471 C SER A 29 2.538 -6.835 1.648 1.00 0.00 C ATOM 472 O SER A 29 3.301 -7.804 1.577 1.00 0.00 O ATOM 473 CB SER A 29 0.463 -7.891 0.600 1.00 0.00 C ATOM 474 OG SER A 29 -0.916 -8.161 0.766 1.00 0.00 O ATOM 0 H SER A 29 0.221 -5.554 3.024 1.00 0.00 H new ATOM 0 HA SER A 29 0.887 -7.661 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.618 -7.344 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.011 -8.829 0.513 1.00 0.00 H new ATOM 0 HG SER A 29 -1.242 -8.679 0.001 1.00 0.00 H new ATOM 480 N GLU A 30 2.966 -5.562 1.606 1.00 0.00 N ATOM 481 CA GLU A 30 4.388 -5.222 1.536 1.00 0.00 C ATOM 482 C GLU A 30 5.031 -5.319 2.949 1.00 0.00 C ATOM 483 O GLU A 30 5.517 -6.384 3.330 1.00 0.00 O ATOM 484 CB GLU A 30 4.598 -3.826 0.875 1.00 0.00 C ATOM 485 CG GLU A 30 6.083 -3.424 0.690 1.00 0.00 C ATOM 486 CD GLU A 30 6.909 -4.394 -0.178 1.00 0.00 C ATOM 487 OE1 GLU A 30 6.914 -4.243 -1.416 1.00 0.00 O ATOM 488 OE2 GLU A 30 7.563 -5.303 0.380 1.00 0.00 O ATOM 0 H GLU A 30 2.343 -4.754 1.620 1.00 0.00 H new ATOM 0 HA GLU A 30 4.897 -5.944 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.109 -3.821 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.103 -3.070 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.124 -2.432 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.550 -3.349 1.672 1.00 0.00 H new ATOM 495 N GLY A 31 4.996 -4.215 3.723 1.00 0.00 N ATOM 496 CA GLY A 31 5.639 -4.157 5.051 1.00 0.00 C ATOM 497 C GLY A 31 7.069 -3.612 4.984 1.00 0.00 C ATOM 498 O GLY A 31 7.638 -3.245 6.017 1.00 0.00 O ATOM 0 H GLY A 31 4.528 -3.351 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.044 -3.528 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.654 -5.155 5.489 1.00 0.00 H new ATOM 502 N TYR A 32 7.632 -3.607 3.748 1.00 0.00 N ATOM 503 CA TYR A 32 8.959 -3.067 3.388 1.00 0.00 C ATOM 504 C TYR A 32 10.094 -4.013 3.850 1.00 0.00 C ATOM 505 O TYR A 32 10.802 -4.588 3.019 1.00 0.00 O ATOM 506 CB TYR A 32 9.165 -1.611 3.905 1.00 0.00 C ATOM 507 CG TYR A 32 10.477 -0.953 3.440 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.655 -0.577 2.107 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.533 -0.720 4.325 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.828 0.003 1.681 1.00 0.00 C ATOM 511 CE2 TYR A 32 12.706 -0.138 3.898 1.00 0.00 C ATOM 512 CZ TYR A 32 12.847 0.218 2.579 1.00 0.00 C ATOM 513 OH TYR A 32 14.015 0.792 2.152 1.00 0.00 O ATOM 0 H TYR A 32 7.146 -3.999 2.941 1.00 0.00 H new ATOM 0 HA TYR A 32 9.000 -3.014 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.327 -0.998 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.142 -1.618 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.858 -0.744 1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.427 -1.001 5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.948 0.288 0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.511 0.038 4.597 1.00 0.00 H new ATOM 0 HH TYR A 32 14.633 0.876 2.908 1.00 0.00 H new ATOM 523 N LYS A 33 10.241 -4.176 5.178 1.00 0.00 N ATOM 524 CA LYS A 33 11.312 -4.999 5.787 1.00 0.00 C ATOM 525 C LYS A 33 10.825 -5.582 7.131 1.00 0.00 C ATOM 526 O LYS A 33 10.792 -6.804 7.320 1.00 0.00 O ATOM 527 CB LYS A 33 12.591 -4.130 5.975 1.00 0.00 C ATOM 528 CG LYS A 33 13.790 -4.823 6.670 1.00 0.00 C ATOM 529 CD LYS A 33 14.320 -6.054 5.903 1.00 0.00 C ATOM 530 CE LYS A 33 15.576 -6.660 6.552 1.00 0.00 C ATOM 531 NZ LYS A 33 16.724 -5.711 6.544 1.00 0.00 N ATOM 0 H LYS A 33 9.622 -3.742 5.863 1.00 0.00 H new ATOM 0 HA LYS A 33 11.558 -5.833 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.917 -3.783 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.323 -3.246 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.599 -4.102 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.491 -5.130 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.538 -6.812 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.548 -5.767 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.350 -6.947 7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.855 -7.570 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.592 -6.214 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.839 -5.313 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.543 -4.942 7.220 1.00 0.00 H new ATOM 545 N ALA A 34 10.440 -4.685 8.045 1.00 0.00 N ATOM 546 CA ALA A 34 9.918 -5.031 9.386 1.00 0.00 C ATOM 547 C ALA A 34 8.888 -3.962 9.786 1.00 0.00 C ATOM 548 O ALA A 34 8.617 -3.068 8.976 1.00 0.00 O ATOM 549 CB ALA A 34 11.068 -5.119 10.403 1.00 0.00 C ATOM 0 H ALA A 34 10.480 -3.680 7.878 1.00 0.00 H new ATOM 0 HA ALA A 34 9.435 -6.008 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.667 -5.374 11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.774 -5.887 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.579 -4.158 10.459 1.00 0.00 H new ATOM 555 N LYS A 35 8.317 -4.020 11.018 1.00 0.00 N ATOM 556 CA LYS A 35 7.264 -3.058 11.433 1.00 0.00 C ATOM 557 C LYS A 35 7.837 -1.641 11.632 1.00 0.00 C ATOM 558 O LYS A 35 7.207 -0.674 11.236 1.00 0.00 O ATOM 559 CB LYS A 35 6.515 -3.519 12.712 1.00 0.00 C ATOM 560 CG LYS A 35 7.417 -3.752 13.943 1.00 0.00 C ATOM 561 CD LYS A 35 6.616 -4.048 15.220 1.00 0.00 C ATOM 562 CE LYS A 35 7.529 -4.319 16.432 1.00 0.00 C ATOM 563 NZ LYS A 35 6.758 -4.619 17.659 1.00 0.00 N ATOM 0 H LYS A 35 8.563 -4.709 11.729 1.00 0.00 H new ATOM 0 HA LYS A 35 6.541 -3.027 10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.764 -2.771 12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.981 -4.443 12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.091 -4.584 13.741 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.038 -2.871 14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.963 -3.204 15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.973 -4.912 15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.190 -5.156 16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.164 -3.450 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.414 -4.794 18.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.146 -3.811 17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.171 -5.463 17.503 1.00 0.00 H new ATOM 577 N ALA A 36 9.028 -1.528 12.248 1.00 0.00 N ATOM 578 CA ALA A 36 9.721 -0.229 12.426 1.00 0.00 C ATOM 579 C ALA A 36 9.989 0.433 11.062 1.00 0.00 C ATOM 580 O ALA A 36 9.674 1.609 10.854 1.00 0.00 O ATOM 581 CB ALA A 36 11.029 -0.411 13.214 1.00 0.00 C ATOM 0 H ALA A 36 9.537 -2.323 12.635 1.00 0.00 H new ATOM 0 HA ALA A 36 9.071 0.429 13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.520 0.555 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.807 -0.828 14.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.689 -1.089 12.673 1.00 0.00 H new ATOM 587 N SER A 37 10.512 -0.376 10.124 1.00 0.00 N ATOM 588 CA SER A 37 10.767 0.037 8.732 1.00 0.00 C ATOM 589 C SER A 37 9.444 0.317 7.982 1.00 0.00 C ATOM 590 O SER A 37 9.425 1.078 7.006 1.00 0.00 O ATOM 591 CB SER A 37 11.565 -1.069 8.016 1.00 0.00 C ATOM 592 OG SER A 37 12.677 -1.485 8.793 1.00 0.00 O ATOM 0 H SER A 37 10.772 -1.344 10.312 1.00 0.00 H new ATOM 0 HA SER A 37 11.345 0.961 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.915 -1.922 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.910 -0.704 7.049 1.00 0.00 H new ATOM 0 HG SER A 37 13.165 -2.189 8.316 1.00 0.00 H new ATOM 598 N ALA A 38 8.348 -0.313 8.463 1.00 0.00 N ATOM 599 CA ALA A 38 6.991 -0.102 7.935 1.00 0.00 C ATOM 600 C ALA A 38 6.500 1.313 8.275 1.00 0.00 C ATOM 601 O ALA A 38 5.925 1.962 7.405 1.00 0.00 O ATOM 602 CB ALA A 38 6.008 -1.168 8.458 1.00 0.00 C ATOM 0 H ALA A 38 8.386 -0.983 9.231 1.00 0.00 H new ATOM 0 HA ALA A 38 7.032 -0.204 6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.016 -0.981 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.347 -2.157 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.965 -1.121 9.546 1.00 0.00 H new ATOM 608 N ILE A 39 6.721 1.786 9.539 1.00 0.00 N ATOM 609 CA ILE A 39 6.435 3.193 9.917 1.00 0.00 C ATOM 610 C ILE A 39 7.189 4.160 8.984 1.00 0.00 C ATOM 611 O ILE A 39 6.580 5.074 8.459 1.00 0.00 O ATOM 612 CB ILE A 39 6.767 3.556 11.439 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.703 2.977 12.434 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.906 5.092 11.670 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.830 1.511 12.750 1.00 0.00 C ATOM 0 H ILE A 39 7.092 1.216 10.300 1.00 0.00 H new ATOM 0 HA ILE A 39 5.357 3.306 9.806 1.00 0.00 H new ATOM 0 HB ILE A 39 7.730 3.087 11.643 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.764 3.537 13.367 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.711 3.155 12.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.131 5.283 12.719 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.712 5.482 11.049 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.972 5.586 11.404 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.044 1.220 13.447 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.735 0.931 11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.804 1.319 13.201 1.00 0.00 H new ATOM 627 N HIS A 40 8.507 3.918 8.774 1.00 0.00 N ATOM 628 CA HIS A 40 9.370 4.787 7.919 1.00 0.00 C ATOM 629 C HIS A 40 8.801 4.910 6.494 1.00 0.00 C ATOM 630 O HIS A 40 8.779 6.015 5.900 1.00 0.00 O ATOM 631 CB HIS A 40 10.833 4.273 7.885 1.00 0.00 C ATOM 632 CG HIS A 40 11.604 4.510 9.159 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.799 5.192 9.203 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.342 4.152 10.437 1.00 0.00 C ATOM 635 CE1 HIS A 40 13.247 5.214 10.442 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.376 4.597 11.215 1.00 0.00 N ATOM 0 H HIS A 40 9.002 3.126 9.185 1.00 0.00 H new ATOM 0 HA HIS A 40 9.375 5.781 8.367 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.825 3.204 7.672 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.357 4.758 7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.473 3.612 10.781 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.173 5.663 10.769 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.459 4.472 12.224 1.00 0.00 H new ATOM 645 N ALA A 41 8.313 3.772 5.966 1.00 0.00 N ATOM 646 CA ALA A 41 7.584 3.728 4.704 1.00 0.00 C ATOM 647 C ALA A 41 6.365 4.664 4.770 1.00 0.00 C ATOM 648 O ALA A 41 6.263 5.606 3.996 1.00 0.00 O ATOM 649 CB ALA A 41 7.173 2.277 4.380 1.00 0.00 C ATOM 0 H ALA A 41 8.418 2.860 6.411 1.00 0.00 H new ATOM 0 HA ALA A 41 8.229 4.077 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.629 2.255 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.065 1.656 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.534 1.894 5.176 1.00 0.00 H new ATOM 655 N ILE A 42 5.509 4.449 5.763 1.00 0.00 N ATOM 656 CA ILE A 42 4.297 5.260 5.992 1.00 0.00 C ATOM 657 C ILE A 42 4.628 6.762 6.199 1.00 0.00 C ATOM 658 O ILE A 42 3.825 7.631 5.852 1.00 0.00 O ATOM 659 CB ILE A 42 3.508 4.694 7.217 1.00 0.00 C ATOM 660 CG1 ILE A 42 3.053 3.228 6.919 1.00 0.00 C ATOM 661 CG2 ILE A 42 2.304 5.589 7.593 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.627 2.434 8.124 1.00 0.00 C ATOM 0 H ILE A 42 5.630 3.700 6.445 1.00 0.00 H new ATOM 0 HA ILE A 42 3.676 5.194 5.099 1.00 0.00 H new ATOM 0 HB ILE A 42 4.174 4.690 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.224 3.258 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.872 2.703 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.784 5.159 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.659 6.588 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.620 5.652 6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.330 1.432 7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.458 2.365 8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.784 2.929 8.606 1.00 0.00 H new ATOM 674 N GLU A 43 5.836 7.053 6.705 1.00 0.00 N ATOM 675 CA GLU A 43 6.279 8.437 6.939 1.00 0.00 C ATOM 676 C GLU A 43 6.456 9.180 5.611 1.00 0.00 C ATOM 677 O GLU A 43 6.259 10.393 5.567 1.00 0.00 O ATOM 678 CB GLU A 43 7.572 8.496 7.788 1.00 0.00 C ATOM 679 CG GLU A 43 7.387 8.007 9.238 1.00 0.00 C ATOM 680 CD GLU A 43 8.611 8.247 10.131 1.00 0.00 C ATOM 681 OE1 GLU A 43 9.620 7.518 9.990 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.571 9.175 10.970 1.00 0.00 O ATOM 0 H GLU A 43 6.526 6.346 6.961 1.00 0.00 H new ATOM 0 HA GLU A 43 5.499 8.938 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.340 7.891 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.938 9.523 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.525 8.511 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.160 6.941 9.226 1.00 0.00 H new ATOM 689 N SER A 44 6.802 8.438 4.531 1.00 0.00 N ATOM 690 CA SER A 44 6.772 8.973 3.150 1.00 0.00 C ATOM 691 C SER A 44 5.382 9.501 2.780 1.00 0.00 C ATOM 692 O SER A 44 5.257 10.547 2.122 1.00 0.00 O ATOM 693 CB SER A 44 7.153 7.879 2.137 1.00 0.00 C ATOM 694 OG SER A 44 8.527 7.540 2.223 1.00 0.00 O ATOM 0 H SER A 44 7.105 7.466 4.591 1.00 0.00 H new ATOM 0 HA SER A 44 7.491 9.791 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.547 6.991 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.925 8.222 1.128 1.00 0.00 H new ATOM 0 HG SER A 44 8.944 7.637 1.341 1.00 0.00 H new ATOM 700 N ILE A 45 4.341 8.753 3.205 1.00 0.00 N ATOM 701 CA ILE A 45 2.963 9.056 2.822 1.00 0.00 C ATOM 702 C ILE A 45 2.535 10.364 3.487 1.00 0.00 C ATOM 703 O ILE A 45 1.959 11.252 2.845 1.00 0.00 O ATOM 704 CB ILE A 45 1.916 7.923 3.197 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.498 6.486 3.043 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.684 8.069 2.292 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.747 6.055 1.626 1.00 0.00 C ATOM 0 H ILE A 45 4.438 7.939 3.812 1.00 0.00 H new ATOM 0 HA ILE A 45 2.959 9.132 1.735 1.00 0.00 H new ATOM 0 HB ILE A 45 1.654 8.052 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.436 6.428 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.810 5.779 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.043 7.296 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.236 9.051 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.984 7.964 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.151 5.043 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.810 6.075 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.461 6.734 1.159 1.00 0.00 H new ATOM 719 N LYS A 46 2.869 10.470 4.787 1.00 0.00 N ATOM 720 CA LYS A 46 2.490 11.610 5.652 1.00 0.00 C ATOM 721 C LYS A 46 2.990 12.963 5.143 1.00 0.00 C ATOM 722 O LYS A 46 2.425 14.010 5.479 1.00 0.00 O ATOM 723 CB LYS A 46 2.987 11.397 7.120 1.00 0.00 C ATOM 724 CG LYS A 46 2.735 9.993 7.755 1.00 0.00 C ATOM 725 CD LYS A 46 1.341 9.380 7.440 1.00 0.00 C ATOM 726 CE LYS A 46 0.170 10.329 7.710 1.00 0.00 C ATOM 727 NZ LYS A 46 0.064 10.721 9.121 1.00 0.00 N ATOM 0 H LYS A 46 3.416 9.760 5.274 1.00 0.00 H new ATOM 0 HA LYS A 46 1.401 11.636 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.059 11.594 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.509 12.146 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.506 9.307 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.846 10.073 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.316 9.077 6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.209 8.477 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.285 11.223 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.759 9.849 7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.939 10.789 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.533 10.008 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.523 11.644 9.260 1.00 0.00 H new ATOM 741 N ARG A 47 4.043 12.909 4.336 1.00 0.00 N ATOM 742 CA ARG A 47 4.731 14.107 3.830 1.00 0.00 C ATOM 743 C ARG A 47 3.827 14.934 2.881 1.00 0.00 C ATOM 744 O ARG A 47 3.575 16.120 3.140 1.00 0.00 O ATOM 745 CB ARG A 47 6.062 13.737 3.110 1.00 0.00 C ATOM 746 CG ARG A 47 7.080 12.914 3.935 1.00 0.00 C ATOM 747 CD ARG A 47 7.252 13.414 5.380 1.00 0.00 C ATOM 748 NE ARG A 47 7.648 14.831 5.475 1.00 0.00 N ATOM 749 CZ ARG A 47 7.608 15.569 6.597 1.00 0.00 C ATOM 750 NH1 ARG A 47 7.252 15.033 7.762 1.00 0.00 N ATOM 751 NH2 ARG A 47 7.932 16.844 6.543 1.00 0.00 N ATOM 0 H ARG A 47 4.451 12.033 4.009 1.00 0.00 H new ATOM 0 HA ARG A 47 4.965 14.723 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.819 13.176 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.546 14.660 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.760 11.872 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.047 12.940 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.315 13.271 5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.003 12.802 5.880 1.00 0.00 H new ATOM 0 HE ARG A 47 7.978 15.286 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.003 14.045 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.228 15.610 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.210 17.262 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.905 17.413 7.389 1.00 0.00 H new ATOM 765 N ASN A 48 3.313 14.277 1.819 1.00 0.00 N ATOM 766 CA ASN A 48 2.630 14.978 0.687 1.00 0.00 C ATOM 767 C ASN A 48 2.049 13.972 -0.336 1.00 0.00 C ATOM 768 O ASN A 48 1.770 14.335 -1.474 1.00 0.00 O ATOM 769 CB ASN A 48 3.608 15.985 -0.002 1.00 0.00 C ATOM 770 CG ASN A 48 2.936 17.072 -0.861 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.724 16.905 -2.061 1.00 0.00 O ATOM 772 ND2 ASN A 48 2.625 18.209 -0.252 1.00 0.00 N ATOM 0 H ASN A 48 3.353 13.263 1.713 1.00 0.00 H new ATOM 0 HA ASN A 48 1.791 15.541 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.205 16.472 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.298 15.423 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.199 18.971 -0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.811 18.321 0.744 1.00 0.00 H new ATOM 779 N SER A 49 1.870 12.708 0.067 1.00 0.00 N ATOM 780 CA SER A 49 1.388 11.643 -0.842 1.00 0.00 C ATOM 781 C SER A 49 -0.050 11.901 -1.349 1.00 0.00 C ATOM 782 O SER A 49 -0.394 11.528 -2.477 1.00 0.00 O ATOM 783 CB SER A 49 1.448 10.301 -0.146 1.00 0.00 C ATOM 784 OG SER A 49 1.119 9.240 -1.011 1.00 0.00 O ATOM 0 H SER A 49 2.051 12.390 1.019 1.00 0.00 H new ATOM 0 HA SER A 49 2.046 11.644 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.450 10.145 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.763 10.302 0.702 1.00 0.00 H new ATOM 0 HG SER A 49 1.908 8.988 -1.534 1.00 0.00 H new ATOM 790 N ALA A 50 -0.880 12.533 -0.501 1.00 0.00 N ATOM 791 CA ALA A 50 -2.216 13.014 -0.902 1.00 0.00 C ATOM 792 C ALA A 50 -2.134 14.087 -2.019 1.00 0.00 C ATOM 793 O ALA A 50 -3.080 14.254 -2.798 1.00 0.00 O ATOM 794 CB ALA A 50 -2.981 13.529 0.330 1.00 0.00 C ATOM 0 H ALA A 50 -0.648 12.724 0.474 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.769 12.175 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.966 13.882 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.093 12.721 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.427 14.349 0.786 1.00 0.00 H new ATOM 800 N GLY A 51 -0.989 14.800 -2.084 1.00 0.00 N ATOM 801 CA GLY A 51 -0.699 15.759 -3.164 1.00 0.00 C ATOM 802 C GLY A 51 0.264 15.236 -4.238 1.00 0.00 C ATOM 803 O GLY A 51 0.570 15.962 -5.193 1.00 0.00 O ATOM 0 H GLY A 51 -0.244 14.725 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.637 16.043 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.278 16.664 -2.726 1.00 0.00 H new ATOM 807 N ALA A 52 0.748 13.977 -4.083 1.00 0.00 N ATOM 808 CA ALA A 52 1.649 13.316 -5.065 1.00 0.00 C ATOM 809 C ALA A 52 0.943 13.062 -6.413 1.00 0.00 C ATOM 810 O ALA A 52 -0.261 13.244 -6.524 1.00 0.00 O ATOM 811 CB ALA A 52 2.193 11.998 -4.484 1.00 0.00 C ATOM 0 H ALA A 52 0.526 13.393 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 52 2.482 13.992 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.851 11.524 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.751 12.206 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.362 11.330 -4.257 1.00 0.00 H new ATOM 817 N ASP A 53 1.697 12.651 -7.442 1.00 0.00 N ATOM 818 CA ASP A 53 1.133 12.356 -8.782 1.00 0.00 C ATOM 819 C ASP A 53 0.887 10.842 -8.935 1.00 0.00 C ATOM 820 O ASP A 53 1.422 10.040 -8.171 1.00 0.00 O ATOM 821 CB ASP A 53 2.082 12.889 -9.890 1.00 0.00 C ATOM 822 CG ASP A 53 1.449 12.895 -11.297 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.771 13.884 -11.649 1.00 0.00 O ATOM 824 OD2 ASP A 53 1.605 11.914 -12.050 1.00 0.00 O ATOM 0 H ASP A 53 2.706 12.512 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 53 0.174 12.864 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.390 13.903 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.984 12.277 -9.909 1.00 0.00 H new ATOM 829 N THR A 54 0.028 10.465 -9.891 1.00 0.00 N ATOM 830 CA THR A 54 -0.247 9.056 -10.226 1.00 0.00 C ATOM 831 C THR A 54 0.245 8.766 -11.667 1.00 0.00 C ATOM 832 O THR A 54 -0.419 9.118 -12.650 1.00 0.00 O ATOM 833 CB THR A 54 -1.779 8.758 -10.060 1.00 0.00 C ATOM 834 OG1 THR A 54 -2.211 9.201 -8.764 1.00 0.00 O ATOM 835 CG2 THR A 54 -2.126 7.271 -10.206 1.00 0.00 C ATOM 0 H THR A 54 -0.499 11.129 -10.458 1.00 0.00 H new ATOM 0 HA THR A 54 0.291 8.396 -9.546 1.00 0.00 H new ATOM 0 HB THR A 54 -2.291 9.295 -10.859 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.168 9.018 -8.658 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.200 7.134 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.829 6.924 -11.196 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.596 6.697 -9.446 1.00 0.00 H new ATOM 843 N VAL A 55 1.443 8.165 -11.763 1.00 0.00 N ATOM 844 CA VAL A 55 2.133 7.866 -13.038 1.00 0.00 C ATOM 845 C VAL A 55 1.927 6.383 -13.412 1.00 0.00 C ATOM 846 O VAL A 55 2.102 5.521 -12.555 1.00 0.00 O ATOM 847 CB VAL A 55 3.683 8.160 -12.912 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.410 8.020 -14.274 1.00 0.00 C ATOM 849 CG2 VAL A 55 3.946 9.551 -12.283 1.00 0.00 C ATOM 0 H VAL A 55 1.972 7.866 -10.944 1.00 0.00 H new ATOM 0 HA VAL A 55 1.711 8.503 -13.815 1.00 0.00 H new ATOM 0 HB VAL A 55 4.096 7.406 -12.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.472 8.230 -14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.285 7.005 -14.651 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.986 8.727 -14.987 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.020 9.721 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.498 10.323 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.505 9.589 -11.287 1.00 0.00 H new ATOM 859 N ASP A 56 1.543 6.106 -14.678 1.00 0.00 N ATOM 860 CA ASP A 56 1.385 4.725 -15.204 1.00 0.00 C ATOM 861 C ASP A 56 2.506 4.430 -16.232 1.00 0.00 C ATOM 862 O ASP A 56 2.535 5.012 -17.321 1.00 0.00 O ATOM 863 CB ASP A 56 -0.016 4.537 -15.842 1.00 0.00 C ATOM 864 CG ASP A 56 -0.377 3.061 -16.115 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.252 2.440 -16.995 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.299 2.522 -15.456 1.00 0.00 O ATOM 0 H ASP A 56 1.333 6.830 -15.365 1.00 0.00 H new ATOM 0 HA ASP A 56 1.469 4.018 -14.379 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.768 4.970 -15.182 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.057 5.092 -16.779 1.00 0.00 H new ATOM 871 N LEU A 57 3.428 3.542 -15.845 1.00 0.00 N ATOM 872 CA LEU A 57 4.601 3.138 -16.649 1.00 0.00 C ATOM 873 C LEU A 57 4.310 1.941 -17.574 1.00 0.00 C ATOM 874 O LEU A 57 5.062 1.708 -18.527 1.00 0.00 O ATOM 875 CB LEU A 57 5.802 2.776 -15.717 1.00 0.00 C ATOM 876 CG LEU A 57 6.393 3.919 -14.822 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.860 5.120 -15.663 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.411 4.359 -13.726 1.00 0.00 C ATOM 0 H LEU A 57 3.384 3.069 -14.942 1.00 0.00 H new ATOM 0 HA LEU A 57 4.850 3.994 -17.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.486 1.964 -15.061 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.607 2.387 -16.341 1.00 0.00 H new ATOM 0 HG LEU A 57 7.270 3.504 -14.325 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.263 5.890 -15.005 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.633 4.797 -16.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.015 5.525 -16.220 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.862 5.152 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.494 4.727 -14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.179 3.510 -13.083 1.00 0.00 H new ATOM 890 N THR A 58 3.221 1.191 -17.321 1.00 0.00 N ATOM 891 CA THR A 58 2.968 -0.092 -18.022 1.00 0.00 C ATOM 892 C THR A 58 2.007 0.079 -19.199 1.00 0.00 C ATOM 893 O THR A 58 1.794 -0.896 -19.929 1.00 0.00 O ATOM 894 CB THR A 58 2.399 -1.187 -17.054 1.00 0.00 C ATOM 895 OG1 THR A 58 2.325 -2.475 -17.699 1.00 0.00 O ATOM 896 CG2 THR A 58 1.019 -0.810 -16.473 1.00 0.00 C ATOM 0 H THR A 58 2.504 1.445 -16.642 1.00 0.00 H new ATOM 0 HA THR A 58 3.936 -0.420 -18.399 1.00 0.00 H new ATOM 0 HB THR A 58 3.102 -1.247 -16.223 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.266 -2.352 -18.669 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.674 -1.604 -15.810 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.102 0.121 -15.912 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.305 -0.680 -17.286 1.00 0.00 H new ATOM 904 N THR A 59 1.520 1.330 -19.385 1.00 0.00 N ATOM 905 CA THR A 59 0.375 1.712 -20.244 1.00 0.00 C ATOM 906 C THR A 59 0.153 0.754 -21.443 1.00 0.00 C ATOM 907 O THR A 59 0.709 0.939 -22.535 1.00 0.00 O ATOM 908 CB THR A 59 0.535 3.193 -20.693 1.00 0.00 C ATOM 909 OG1 THR A 59 1.085 3.980 -19.613 1.00 0.00 O ATOM 910 CG2 THR A 59 -0.802 3.808 -21.108 1.00 0.00 C ATOM 0 H THR A 59 1.935 2.137 -18.918 1.00 0.00 H new ATOM 0 HA THR A 59 -0.532 1.618 -19.647 1.00 0.00 H new ATOM 0 HB THR A 59 1.206 3.199 -21.552 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.184 4.911 -19.904 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.647 4.842 -21.415 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.220 3.242 -21.940 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.493 3.779 -20.266 1.00 0.00 H new ATOM 961 N MET B 1 9.740 14.313 -8.179 1.00 0.00 N ATOM 962 CA MET B 1 8.860 14.287 -6.994 1.00 0.00 C ATOM 963 C MET B 1 8.475 12.837 -6.687 1.00 0.00 C ATOM 964 O MET B 1 8.509 11.981 -7.580 1.00 0.00 O ATOM 965 CB MET B 1 7.583 15.139 -7.252 1.00 0.00 C ATOM 966 CG MET B 1 6.652 15.307 -6.039 1.00 0.00 C ATOM 967 SD MET B 1 5.130 16.202 -6.429 1.00 0.00 S ATOM 968 CE MET B 1 4.234 16.072 -4.877 1.00 0.00 C ATOM 0 H1 MET B 1 10.692 14.622 -7.897 1.00 0.00 H new ATOM 0 H2 MET B 1 9.793 13.360 -8.593 1.00 0.00 H new ATOM 0 H3 MET B 1 9.355 14.975 -8.883 1.00 0.00 H new ATOM 0 HA MET B 1 9.389 14.711 -6.140 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.888 16.127 -7.595 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.017 14.681 -8.063 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.397 14.323 -5.646 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.186 15.837 -5.250 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.171 16.230 -5.056 1.00 0.00 H new ATOM 0 HE2 MET B 1 4.386 15.080 -4.451 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.601 16.826 -4.181 1.00 0.00 H new ATOM 978 N TYR B 2 8.131 12.557 -5.417 1.00 0.00 N ATOM 979 CA TYR B 2 7.484 11.294 -5.045 1.00 0.00 C ATOM 980 C TYR B 2 6.069 11.203 -5.652 1.00 0.00 C ATOM 981 O TYR B 2 5.311 12.178 -5.663 1.00 0.00 O ATOM 982 CB TYR B 2 7.471 11.016 -3.504 1.00 0.00 C ATOM 983 CG TYR B 2 7.211 12.171 -2.508 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.697 13.414 -2.878 1.00 0.00 C ATOM 985 CD2 TYR B 2 7.540 11.993 -1.152 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.541 14.428 -1.952 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.366 13.002 -0.233 1.00 0.00 C ATOM 988 CZ TYR B 2 6.878 14.214 -0.637 1.00 0.00 C ATOM 989 OH TYR B 2 6.743 15.233 0.277 1.00 0.00 O ATOM 0 H TYR B 2 8.292 13.191 -4.634 1.00 0.00 H new ATOM 0 HA TYR B 2 8.099 10.502 -5.472 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.714 10.253 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.435 10.578 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR B 2 6.416 13.587 -3.906 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.938 11.044 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR B 2 6.155 15.388 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.614 12.837 0.805 1.00 0.00 H new ATOM 0 HH TYR B 2 6.399 16.033 -0.173 1.00 0.00 H new ATOM 999 N LYS B 3 5.755 10.003 -6.140 1.00 0.00 N ATOM 1000 CA LYS B 3 4.557 9.705 -6.928 1.00 0.00 C ATOM 1001 C LYS B 3 4.305 8.188 -6.942 1.00 0.00 C ATOM 1002 O LYS B 3 5.122 7.399 -6.439 1.00 0.00 O ATOM 1003 CB LYS B 3 4.630 10.287 -8.397 1.00 0.00 C ATOM 1004 CG LYS B 3 6.024 10.373 -9.080 1.00 0.00 C ATOM 1005 CD LYS B 3 6.839 9.060 -9.063 1.00 0.00 C ATOM 1006 CE LYS B 3 8.110 9.150 -9.932 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.092 8.092 -9.602 1.00 0.00 N ATOM 0 H LYS B 3 6.346 9.185 -5.994 1.00 0.00 H new ATOM 0 HA LYS B 3 3.715 10.204 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.985 9.677 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.204 11.290 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.887 10.685 -10.115 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.606 11.152 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.119 8.822 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.214 8.242 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.835 9.072 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.573 10.127 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.730 7.946 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.646 8.380 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.590 7.205 -9.393 1.00 0.00 H new ATOM 1021 N PHE B 4 3.177 7.809 -7.543 1.00 0.00 N ATOM 1022 CA PHE B 4 2.714 6.430 -7.620 1.00 0.00 C ATOM 1023 C PHE B 4 3.040 5.861 -8.996 1.00 0.00 C ATOM 1024 O PHE B 4 2.422 6.233 -9.996 1.00 0.00 O ATOM 1025 CB PHE B 4 1.198 6.377 -7.330 1.00 0.00 C ATOM 1026 CG PHE B 4 0.873 6.700 -5.876 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.856 5.679 -4.925 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.618 8.011 -5.451 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.588 5.947 -3.605 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.355 8.273 -4.124 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.342 7.240 -3.207 1.00 0.00 C ATOM 0 H PHE B 4 2.548 8.470 -7.999 1.00 0.00 H new ATOM 0 HA PHE B 4 3.222 5.821 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE B 4 0.682 7.083 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE B 4 0.819 5.384 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.057 4.663 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.628 8.820 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.571 5.145 -2.882 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.159 9.285 -3.801 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.137 7.450 -2.168 1.00 0.00 H new ATOM 1041 N GLU B 5 4.024 4.961 -9.030 1.00 0.00 N ATOM 1042 CA GLU B 5 4.471 4.338 -10.269 1.00 0.00 C ATOM 1043 C GLU B 5 3.720 3.019 -10.459 1.00 0.00 C ATOM 1044 O GLU B 5 3.958 2.058 -9.715 1.00 0.00 O ATOM 1045 CB GLU B 5 6.001 4.113 -10.267 1.00 0.00 C ATOM 1046 CG GLU B 5 6.832 5.394 -10.442 1.00 0.00 C ATOM 1047 CD GLU B 5 8.307 5.101 -10.733 1.00 0.00 C ATOM 1048 OE1 GLU B 5 8.657 4.838 -11.901 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.119 5.102 -9.793 1.00 0.00 O ATOM 0 H GLU B 5 4.529 4.647 -8.201 1.00 0.00 H new ATOM 0 HA GLU B 5 4.251 5.004 -11.104 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.284 3.636 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.255 3.418 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.415 5.985 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.756 5.999 -9.538 1.00 0.00 H new ATOM 1056 N ILE B 6 2.821 2.990 -11.462 1.00 0.00 N ATOM 1057 CA ILE B 6 1.944 1.849 -11.743 1.00 0.00 C ATOM 1058 C ILE B 6 2.529 1.084 -12.912 1.00 0.00 C ATOM 1059 O ILE B 6 2.650 1.618 -14.015 1.00 0.00 O ATOM 1060 CB ILE B 6 0.492 2.288 -12.140 1.00 0.00 C ATOM 1061 CG1 ILE B 6 -0.070 3.321 -11.118 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.454 1.050 -12.278 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.317 4.022 -11.592 1.00 0.00 C ATOM 0 H ILE B 6 2.686 3.771 -12.105 1.00 0.00 H new ATOM 0 HA ILE B 6 1.881 1.247 -10.836 1.00 0.00 H new ATOM 0 HB ILE B 6 0.539 2.773 -13.115 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.285 2.811 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.698 4.066 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.454 1.385 -12.554 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.069 0.382 -13.049 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.499 0.519 -11.327 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.651 4.726 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -1.103 4.561 -12.515 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.101 3.287 -11.775 1.00 0.00 H new ATOM 1075 N TYR B 7 2.879 -0.155 -12.672 1.00 0.00 N ATOM 1076 CA TYR B 7 3.434 -1.025 -13.690 1.00 0.00 C ATOM 1077 C TYR B 7 2.809 -2.417 -13.568 1.00 0.00 C ATOM 1078 O TYR B 7 1.890 -2.638 -12.772 1.00 0.00 O ATOM 1079 CB TYR B 7 4.986 -1.048 -13.587 1.00 0.00 C ATOM 1080 CG TYR B 7 5.518 -1.494 -12.218 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.602 -0.597 -11.146 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.922 -2.813 -11.994 1.00 0.00 C ATOM 1083 CE1 TYR B 7 6.066 -1.002 -9.914 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.387 -3.217 -10.764 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.458 -2.311 -9.729 1.00 0.00 C ATOM 1086 OH TYR B 7 6.928 -2.716 -8.506 1.00 0.00 O ATOM 0 H TYR B 7 2.788 -0.596 -11.757 1.00 0.00 H new ATOM 0 HA TYR B 7 3.192 -0.646 -14.683 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.380 -1.716 -14.353 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.369 -0.051 -13.806 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.298 0.430 -11.288 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.868 -3.528 -12.801 1.00 0.00 H new ATOM 0 HE1 TYR B 7 6.123 -0.298 -9.097 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.695 -4.241 -10.610 1.00 0.00 H new ATOM 0 HH TYR B 7 6.355 -2.354 -7.799 1.00 0.00 H new ATOM 1096 N GLN B 8 3.264 -3.332 -14.415 1.00 0.00 N ATOM 1097 CA GLN B 8 2.996 -4.766 -14.255 1.00 0.00 C ATOM 1098 C GLN B 8 4.326 -5.520 -14.301 1.00 0.00 C ATOM 1099 O GLN B 8 5.323 -5.019 -14.842 1.00 0.00 O ATOM 1100 CB GLN B 8 1.991 -5.300 -15.327 1.00 0.00 C ATOM 1101 CG GLN B 8 2.568 -5.553 -16.731 1.00 0.00 C ATOM 1102 CD GLN B 8 1.511 -5.686 -17.835 1.00 0.00 C ATOM 1103 OE1 GLN B 8 1.738 -5.294 -18.980 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.362 -6.265 -17.522 1.00 0.00 N ATOM 0 H GLN B 8 3.829 -3.107 -15.234 1.00 0.00 H new ATOM 0 HA GLN B 8 2.517 -4.933 -13.290 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.561 -6.232 -14.960 1.00 0.00 H new ATOM 0 HB3 GLN B 8 1.173 -4.585 -15.416 1.00 0.00 H new ATOM 0 HG2 GLN B 8 3.242 -4.735 -16.986 1.00 0.00 H new ATOM 0 HG3 GLN B 8 3.167 -6.464 -16.706 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.194 -6.583 -16.567 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.355 -6.394 -18.236 1.00 0.00 H new ATOM 1113 N ASP B 9 4.334 -6.703 -13.699 1.00 0.00 N ATOM 1114 CA ASP B 9 5.476 -7.614 -13.728 1.00 0.00 C ATOM 1115 C ASP B 9 5.394 -8.438 -15.019 1.00 0.00 C ATOM 1116 O ASP B 9 4.323 -8.503 -15.623 1.00 0.00 O ATOM 1117 CB ASP B 9 5.439 -8.520 -12.465 1.00 0.00 C ATOM 1118 CG ASP B 9 6.660 -9.453 -12.334 1.00 0.00 C ATOM 1119 OD1 ASP B 9 7.702 -9.013 -11.808 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.594 -10.618 -12.783 1.00 0.00 O ATOM 0 H ASP B 9 3.539 -7.063 -13.170 1.00 0.00 H new ATOM 0 HA ASP B 9 6.420 -7.069 -13.718 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.378 -7.889 -11.578 1.00 0.00 H new ATOM 0 HB3 ASP B 9 4.532 -9.124 -12.489 1.00 0.00 H new ATOM 1125 N LYS B 10 6.523 -9.056 -15.417 1.00 0.00 N ATOM 1126 CA LYS B 10 6.639 -9.962 -16.590 1.00 0.00 C ATOM 1127 C LYS B 10 5.534 -11.055 -16.595 1.00 0.00 C ATOM 1128 O LYS B 10 5.033 -11.450 -17.649 1.00 0.00 O ATOM 1129 CB LYS B 10 8.040 -10.614 -16.599 1.00 0.00 C ATOM 1130 CG LYS B 10 8.344 -11.474 -17.840 1.00 0.00 C ATOM 1131 CD LYS B 10 9.609 -12.339 -17.681 1.00 0.00 C ATOM 1132 CE LYS B 10 10.005 -13.052 -18.986 1.00 0.00 C ATOM 1133 NZ LYS B 10 10.412 -12.088 -20.046 1.00 0.00 N ATOM 0 H LYS B 10 7.407 -8.939 -14.922 1.00 0.00 H new ATOM 0 HA LYS B 10 6.503 -9.365 -17.492 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.792 -9.828 -16.526 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.142 -11.236 -15.710 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.491 -12.122 -18.043 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.463 -10.823 -18.706 1.00 0.00 H new ATOM 0 HD2 LYS B 10 10.435 -11.710 -17.349 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.441 -13.082 -16.902 1.00 0.00 H new ATOM 0 HE2 LYS B 10 10.826 -13.741 -18.788 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.166 -13.650 -19.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.860 -12.603 -20.830 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 9.573 -11.584 -20.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 11.087 -11.403 -19.651 1.00 0.00 H new ATOM 1147 N ALA B 11 5.178 -11.519 -15.382 1.00 0.00 N ATOM 1148 CA ALA B 11 4.063 -12.483 -15.150 1.00 0.00 C ATOM 1149 C ALA B 11 2.651 -11.842 -15.365 1.00 0.00 C ATOM 1150 O ALA B 11 1.624 -12.464 -15.061 1.00 0.00 O ATOM 1151 CB ALA B 11 4.192 -13.076 -13.730 1.00 0.00 C ATOM 0 H ALA B 11 5.653 -11.239 -14.524 1.00 0.00 H new ATOM 0 HA ALA B 11 4.147 -13.277 -15.891 1.00 0.00 H new ATOM 0 HB1 ALA B 11 3.380 -13.781 -13.555 1.00 0.00 H new ATOM 0 HB2 ALA B 11 5.147 -13.593 -13.637 1.00 0.00 H new ATOM 0 HB3 ALA B 11 4.140 -12.273 -12.994 1.00 0.00 H new ATOM 1157 N GLY B 12 2.632 -10.611 -15.908 1.00 0.00 N ATOM 1158 CA GLY B 12 1.425 -9.825 -16.162 1.00 0.00 C ATOM 1159 C GLY B 12 0.814 -9.252 -14.888 1.00 0.00 C ATOM 1160 O GLY B 12 -0.326 -8.777 -14.907 1.00 0.00 O ATOM 0 H GLY B 12 3.485 -10.127 -16.188 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.665 -9.009 -16.843 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.687 -10.452 -16.663 1.00 0.00 H new ATOM 1164 N GLU B 13 1.606 -9.230 -13.797 1.00 0.00 N ATOM 1165 CA GLU B 13 1.097 -8.937 -12.435 1.00 0.00 C ATOM 1166 C GLU B 13 1.116 -7.432 -12.153 1.00 0.00 C ATOM 1167 O GLU B 13 2.166 -6.883 -11.805 1.00 0.00 O ATOM 1168 CB GLU B 13 1.927 -9.699 -11.362 1.00 0.00 C ATOM 1169 CG GLU B 13 1.722 -11.223 -11.331 1.00 0.00 C ATOM 1170 CD GLU B 13 0.311 -11.620 -10.869 1.00 0.00 C ATOM 1171 OE1 GLU B 13 0.064 -11.670 -9.645 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -0.573 -11.843 -11.726 1.00 0.00 O ATOM 0 H GLU B 13 2.609 -9.413 -13.830 1.00 0.00 H new ATOM 0 HA GLU B 13 0.064 -9.280 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.984 -9.495 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.678 -9.296 -10.380 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.903 -11.631 -12.326 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.458 -11.672 -10.664 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.035 -6.760 -12.370 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.196 -5.332 -12.038 1.00 0.00 C ATOM 1181 C TYR B 14 0.136 -5.045 -10.559 1.00 0.00 C ATOM 1182 O TYR B 14 -0.536 -5.516 -9.650 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.609 -4.816 -12.407 1.00 0.00 C ATOM 1184 CG TYR B 14 -1.830 -4.727 -13.915 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.220 -3.717 -14.661 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.616 -5.653 -14.597 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.396 -3.630 -16.025 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.789 -5.567 -15.961 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.179 -4.554 -16.667 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.351 -4.470 -18.025 1.00 0.00 O ATOM 0 H TYR B 14 -0.868 -7.187 -12.775 1.00 0.00 H new ATOM 0 HA TYR B 14 0.524 -4.782 -12.644 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.358 -5.479 -11.973 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.759 -3.832 -11.963 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -0.598 -2.990 -14.160 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.097 -6.450 -14.049 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -0.920 -2.839 -16.585 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.402 -6.292 -16.476 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.932 -5.199 -18.327 1.00 0.00 H new ATOM 1200 N ARG B 15 1.216 -4.279 -10.396 1.00 0.00 N ATOM 1201 CA ARG B 15 1.792 -3.866 -9.115 1.00 0.00 C ATOM 1202 C ARG B 15 2.158 -2.397 -9.221 1.00 0.00 C ATOM 1203 O ARG B 15 2.754 -1.984 -10.218 1.00 0.00 O ATOM 1204 CB ARG B 15 3.066 -4.704 -8.822 1.00 0.00 C ATOM 1205 CG ARG B 15 2.798 -6.219 -8.665 1.00 0.00 C ATOM 1206 CD ARG B 15 4.066 -7.058 -8.818 1.00 0.00 C ATOM 1207 NE ARG B 15 3.819 -8.496 -8.579 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.732 -9.474 -8.700 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.997 -9.200 -9.004 1.00 0.00 N ATOM 1210 NH2 ARG B 15 4.368 -10.736 -8.507 1.00 0.00 N ATOM 0 H ARG B 15 1.738 -3.912 -11.192 1.00 0.00 H new ATOM 0 HA ARG B 15 1.078 -4.022 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.782 -4.554 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.532 -4.331 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.358 -6.407 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG B 15 2.066 -6.534 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.470 -6.923 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.822 -6.700 -8.119 1.00 0.00 H new ATOM 0 HE ARG B 15 2.877 -8.768 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG B 15 6.289 -8.234 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.676 -9.956 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.401 -10.957 -8.269 1.00 0.00 H new ATOM 0 HH22 ARG B 15 5.055 -11.484 -8.597 1.00 0.00 H new ATOM 1224 N PHE B 16 1.839 -1.608 -8.195 1.00 0.00 N ATOM 1225 CA PHE B 16 2.287 -0.220 -8.123 1.00 0.00 C ATOM 1226 C PHE B 16 3.055 0.004 -6.836 1.00 0.00 C ATOM 1227 O PHE B 16 3.123 -0.879 -5.967 1.00 0.00 O ATOM 1228 CB PHE B 16 1.117 0.788 -8.293 1.00 0.00 C ATOM 1229 CG PHE B 16 0.059 0.802 -7.197 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.023 -0.067 -7.240 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.122 1.716 -6.148 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.008 -0.030 -6.276 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.858 1.748 -5.185 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.929 0.877 -5.253 1.00 0.00 C ATOM 0 H PHE B 16 1.271 -1.908 -7.402 1.00 0.00 H new ATOM 0 HA PHE B 16 2.958 -0.033 -8.961 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.540 1.790 -8.370 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.622 0.577 -9.241 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.094 -0.785 -8.043 1.00 0.00 H new ATOM 0 HD2 PHE B 16 0.950 2.407 -6.091 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.841 -0.716 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.791 2.456 -4.372 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.703 0.912 -4.500 1.00 0.00 H new ATOM 1244 N ARG B 17 3.684 1.172 -6.778 1.00 0.00 N ATOM 1245 CA ARG B 17 4.511 1.604 -5.649 1.00 0.00 C ATOM 1246 C ARG B 17 4.309 3.089 -5.363 1.00 0.00 C ATOM 1247 O ARG B 17 3.659 3.799 -6.140 1.00 0.00 O ATOM 1248 CB ARG B 17 6.002 1.332 -5.977 1.00 0.00 C ATOM 1249 CG ARG B 17 6.509 2.002 -7.262 1.00 0.00 C ATOM 1250 CD ARG B 17 7.988 1.699 -7.540 1.00 0.00 C ATOM 1251 NE ARG B 17 8.402 2.167 -8.871 1.00 0.00 N ATOM 1252 CZ ARG B 17 8.888 1.383 -9.844 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.181 0.108 -9.607 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.117 1.893 -11.039 1.00 0.00 N ATOM 0 H ARG B 17 3.635 1.862 -7.528 1.00 0.00 H new ATOM 0 HA ARG B 17 4.216 1.043 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.612 1.673 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.151 0.256 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.908 1.664 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.371 3.080 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.606 2.176 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.159 0.625 -7.463 1.00 0.00 H new ATOM 0 HE ARG B 17 8.313 3.164 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.037 -0.284 -8.676 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.550 -0.478 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.924 2.878 -11.218 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.487 1.302 -11.783 1.00 0.00 H new ATOM 1268 N PHE B 18 4.901 3.542 -4.252 1.00 0.00 N ATOM 1269 CA PHE B 18 5.047 4.970 -3.942 1.00 0.00 C ATOM 1270 C PHE B 18 6.522 5.229 -3.665 1.00 0.00 C ATOM 1271 O PHE B 18 7.223 4.395 -3.066 1.00 0.00 O ATOM 1272 CB PHE B 18 4.171 5.416 -2.739 1.00 0.00 C ATOM 1273 CG PHE B 18 4.280 6.895 -2.357 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.093 7.893 -3.305 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.559 7.281 -1.050 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.187 9.225 -2.961 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.647 8.611 -0.701 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.463 9.585 -1.660 1.00 0.00 C ATOM 0 H PHE B 18 5.294 2.927 -3.540 1.00 0.00 H new ATOM 0 HA PHE B 18 4.699 5.557 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.129 5.194 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.442 4.814 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE B 18 3.871 7.622 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.709 6.524 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.044 9.987 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.859 8.890 0.320 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.535 10.629 -1.391 1.00 0.00 H new ATOM 1288 N LYS B 19 6.987 6.363 -4.154 1.00 0.00 N ATOM 1289 CA LYS B 19 8.381 6.771 -4.073 1.00 0.00 C ATOM 1290 C LYS B 19 8.613 7.733 -2.902 1.00 0.00 C ATOM 1291 O LYS B 19 7.704 8.039 -2.125 1.00 0.00 O ATOM 1292 CB LYS B 19 8.773 7.422 -5.429 1.00 0.00 C ATOM 1293 CG LYS B 19 8.645 6.467 -6.639 1.00 0.00 C ATOM 1294 CD LYS B 19 9.614 5.264 -6.539 1.00 0.00 C ATOM 1295 CE LYS B 19 11.095 5.684 -6.620 1.00 0.00 C ATOM 1296 NZ LYS B 19 12.016 4.547 -6.396 1.00 0.00 N ATOM 0 H LYS B 19 6.394 7.043 -4.630 1.00 0.00 H new ATOM 0 HA LYS B 19 9.011 5.901 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.142 8.295 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.801 7.779 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.620 6.101 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.846 7.018 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.440 4.740 -5.599 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.396 4.560 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.293 6.121 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.291 6.459 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.868 4.882 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.542 3.825 -5.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.287 4.134 -7.311 1.00 0.00 H new ATOM 1310 N ALA B 20 9.861 8.190 -2.795 1.00 0.00 N ATOM 1311 CA ALA B 20 10.294 9.223 -1.850 1.00 0.00 C ATOM 1312 C ALA B 20 11.027 10.312 -2.649 1.00 0.00 C ATOM 1313 O ALA B 20 11.424 10.068 -3.797 1.00 0.00 O ATOM 1314 CB ALA B 20 11.179 8.614 -0.753 1.00 0.00 C ATOM 0 H ALA B 20 10.621 7.843 -3.380 1.00 0.00 H new ATOM 0 HA ALA B 20 9.438 9.667 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.491 9.396 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.616 7.854 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.060 8.159 -1.207 1.00 0.00 H new ATOM 1320 N SER B 21 11.135 11.517 -2.067 1.00 0.00 N ATOM 1321 CA SER B 21 11.849 12.676 -2.663 1.00 0.00 C ATOM 1322 C SER B 21 13.290 12.349 -3.143 1.00 0.00 C ATOM 1323 O SER B 21 13.776 12.950 -4.101 1.00 0.00 O ATOM 1324 CB SER B 21 11.871 13.843 -1.645 1.00 0.00 C ATOM 1325 OG SER B 21 12.474 13.452 -0.420 1.00 0.00 O ATOM 0 H SER B 21 10.726 11.725 -1.156 1.00 0.00 H new ATOM 0 HA SER B 21 11.297 12.959 -3.559 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.417 14.686 -2.068 1.00 0.00 H new ATOM 0 HB3 SER B 21 10.853 14.184 -1.458 1.00 0.00 H new ATOM 0 HG SER B 21 12.475 14.210 0.201 1.00 0.00 H new ATOM 1331 N ASN B 22 13.945 11.363 -2.493 1.00 0.00 N ATOM 1332 CA ASN B 22 15.334 10.944 -2.814 1.00 0.00 C ATOM 1333 C ASN B 22 15.351 9.835 -3.906 1.00 0.00 C ATOM 1334 O ASN B 22 16.407 9.288 -4.235 1.00 0.00 O ATOM 1335 CB ASN B 22 16.025 10.476 -1.501 1.00 0.00 C ATOM 1336 CG ASN B 22 17.542 10.265 -1.602 1.00 0.00 C ATOM 1337 OD1 ASN B 22 18.328 11.192 -1.409 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.967 9.050 -1.910 1.00 0.00 N ATOM 0 H ASN B 22 13.528 10.832 -1.729 1.00 0.00 H new ATOM 0 HA ASN B 22 15.887 11.787 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN B 22 15.828 11.213 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN B 22 15.565 9.542 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN B 22 18.967 8.865 -1.992 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.295 8.299 -2.065 1.00 0.00 H new ATOM 1345 N GLY B 23 14.171 9.538 -4.484 1.00 0.00 N ATOM 1346 CA GLY B 23 14.019 8.491 -5.502 1.00 0.00 C ATOM 1347 C GLY B 23 14.014 7.086 -4.907 1.00 0.00 C ATOM 1348 O GLY B 23 14.452 6.128 -5.547 1.00 0.00 O ATOM 0 H GLY B 23 13.301 10.018 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.089 8.653 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY B 23 14.831 8.572 -6.224 1.00 0.00 H new ATOM 1352 N GLU B 24 13.454 6.962 -3.695 1.00 0.00 N ATOM 1353 CA GLU B 24 13.463 5.708 -2.915 1.00 0.00 C ATOM 1354 C GLU B 24 12.049 5.112 -2.876 1.00 0.00 C ATOM 1355 O GLU B 24 11.117 5.804 -2.488 1.00 0.00 O ATOM 1356 CB GLU B 24 13.948 5.989 -1.466 1.00 0.00 C ATOM 1357 CG GLU B 24 15.337 6.639 -1.371 1.00 0.00 C ATOM 1358 CD GLU B 24 15.765 6.902 0.077 1.00 0.00 C ATOM 1359 OE1 GLU B 24 15.437 7.978 0.625 1.00 0.00 O ATOM 1360 OE2 GLU B 24 16.403 6.020 0.685 1.00 0.00 O ATOM 0 H GLU B 24 12.979 7.731 -3.223 1.00 0.00 H new ATOM 0 HA GLU B 24 14.142 5.000 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.223 6.638 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU B 24 13.962 5.050 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.071 5.992 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU B 24 15.333 7.580 -1.922 1.00 0.00 H new ATOM 1367 N THR B 25 11.879 3.844 -3.298 1.00 0.00 N ATOM 1368 CA THR B 25 10.602 3.131 -3.114 1.00 0.00 C ATOM 1369 C THR B 25 10.496 2.648 -1.657 1.00 0.00 C ATOM 1370 O THR B 25 11.453 2.108 -1.094 1.00 0.00 O ATOM 1371 CB THR B 25 10.437 1.931 -4.095 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.510 2.394 -5.446 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.105 1.179 -3.887 1.00 0.00 C ATOM 0 H THR B 25 12.603 3.297 -3.764 1.00 0.00 H new ATOM 0 HA THR B 25 9.796 3.830 -3.339 1.00 0.00 H new ATOM 0 HB THR B 25 11.249 1.234 -3.887 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.520 1.626 -6.055 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.039 0.353 -4.595 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.062 0.790 -2.870 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.272 1.863 -4.049 1.00 0.00 H new ATOM 1381 N MET B 26 9.329 2.871 -1.071 1.00 0.00 N ATOM 1382 CA MET B 26 9.067 2.591 0.353 1.00 0.00 C ATOM 1383 C MET B 26 7.980 1.512 0.534 1.00 0.00 C ATOM 1384 O MET B 26 7.888 0.910 1.607 1.00 0.00 O ATOM 1385 CB MET B 26 8.775 3.922 1.096 1.00 0.00 C ATOM 1386 CG MET B 26 7.973 4.951 0.287 1.00 0.00 C ATOM 1387 SD MET B 26 6.332 4.377 -0.164 1.00 0.00 S ATOM 1388 CE MET B 26 5.633 4.170 1.458 1.00 0.00 C ATOM 0 H MET B 26 8.523 3.254 -1.565 1.00 0.00 H new ATOM 0 HA MET B 26 9.956 2.159 0.812 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.230 3.697 2.013 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.723 4.372 1.391 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.882 5.869 0.868 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.525 5.200 -0.619 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.830 3.434 1.417 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.406 3.827 2.146 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.234 5.123 1.806 1.00 0.00 H new ATOM 1398 N PHE B 27 7.165 1.268 -0.513 1.00 0.00 N ATOM 1399 CA PHE B 27 6.346 0.037 -0.625 1.00 0.00 C ATOM 1400 C PHE B 27 5.851 -0.190 -2.052 1.00 0.00 C ATOM 1401 O PHE B 27 5.910 0.723 -2.887 1.00 0.00 O ATOM 1402 CB PHE B 27 5.162 -0.036 0.393 1.00 0.00 C ATOM 1403 CG PHE B 27 4.035 0.986 0.300 1.00 0.00 C ATOM 1404 CD1 PHE B 27 4.051 2.064 -0.579 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.961 0.880 1.177 1.00 0.00 C ATOM 1406 CE1 PHE B 27 3.038 2.993 -0.574 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.964 1.820 1.187 1.00 0.00 C ATOM 1408 CZ PHE B 27 2.011 2.877 0.312 1.00 0.00 C ATOM 0 H PHE B 27 7.054 1.909 -1.298 1.00 0.00 H new ATOM 0 HA PHE B 27 7.023 -0.775 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.715 -1.026 0.305 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.586 0.034 1.395 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.870 2.172 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.912 0.045 1.860 1.00 0.00 H new ATOM 0 HE1 PHE B 27 3.057 3.816 -1.274 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.142 1.730 1.882 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.228 3.621 0.327 1.00 0.00 H new ATOM 1418 N SER B 28 5.329 -1.407 -2.276 1.00 0.00 N ATOM 1419 CA SER B 28 4.963 -1.896 -3.607 1.00 0.00 C ATOM 1420 C SER B 28 4.274 -3.267 -3.535 1.00 0.00 C ATOM 1421 O SER B 28 3.940 -3.755 -2.444 1.00 0.00 O ATOM 1422 CB SER B 28 6.239 -1.978 -4.504 1.00 0.00 C ATOM 1423 OG SER B 28 5.906 -2.155 -5.877 1.00 0.00 O ATOM 0 H SER B 28 5.150 -2.080 -1.531 1.00 0.00 H new ATOM 0 HA SER B 28 4.253 -1.194 -4.045 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.826 -1.067 -4.386 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.865 -2.806 -4.172 1.00 0.00 H new ATOM 0 HG SER B 28 5.037 -1.741 -6.059 1.00 0.00 H new ATOM 1429 N SER B 29 3.980 -3.823 -4.730 1.00 0.00 N ATOM 1430 CA SER B 29 3.790 -5.278 -4.966 1.00 0.00 C ATOM 1431 C SER B 29 2.329 -5.727 -4.863 1.00 0.00 C ATOM 1432 O SER B 29 2.015 -6.887 -5.160 1.00 0.00 O ATOM 1433 CB SER B 29 4.723 -6.154 -4.070 1.00 0.00 C ATOM 1434 OG SER B 29 4.666 -7.525 -4.420 1.00 0.00 O ATOM 0 H SER B 29 3.865 -3.266 -5.577 1.00 0.00 H new ATOM 0 HA SER B 29 4.086 -5.440 -6.002 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.750 -5.800 -4.162 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.437 -6.035 -3.025 1.00 0.00 H new ATOM 0 HG SER B 29 3.770 -7.740 -4.755 1.00 0.00 H new ATOM 1440 N GLU B 30 1.447 -4.811 -4.482 1.00 0.00 N ATOM 1441 CA GLU B 30 0.011 -5.072 -4.367 1.00 0.00 C ATOM 1442 C GLU B 30 -0.635 -4.966 -5.774 1.00 0.00 C ATOM 1443 O GLU B 30 -0.677 -5.954 -6.508 1.00 0.00 O ATOM 1444 CB GLU B 30 -0.655 -4.107 -3.306 1.00 0.00 C ATOM 1445 CG GLU B 30 0.306 -3.092 -2.589 1.00 0.00 C ATOM 1446 CD GLU B 30 0.844 -1.910 -3.448 1.00 0.00 C ATOM 1447 OE1 GLU B 30 0.500 -1.797 -4.646 1.00 0.00 O ATOM 1448 OE2 GLU B 30 1.640 -1.106 -2.917 1.00 0.00 O ATOM 0 H GLU B 30 1.708 -3.855 -4.241 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.158 -6.083 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.441 -3.540 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.138 -4.718 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -0.219 -2.676 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU B 30 1.160 -3.648 -2.202 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.089 -3.757 -6.150 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.785 -3.528 -7.427 1.00 0.00 C ATOM 1457 C GLY B 31 -3.307 -3.630 -7.286 1.00 0.00 C ATOM 1458 O GLY B 31 -4.045 -3.202 -8.183 1.00 0.00 O ATOM 0 H GLY B 31 -0.984 -2.917 -5.581 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.523 -2.541 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.441 -4.256 -8.162 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.743 -4.236 -6.149 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.151 -4.415 -5.730 1.00 0.00 C ATOM 1464 C TYR B 32 -5.848 -5.526 -6.552 1.00 0.00 C ATOM 1465 O TYR B 32 -6.215 -6.571 -6.003 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.960 -3.080 -5.752 1.00 0.00 C ATOM 1467 CG TYR B 32 -7.351 -3.178 -5.088 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -7.474 -3.545 -3.741 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -8.526 -2.916 -5.795 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.710 -3.653 -3.139 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -9.765 -3.019 -5.190 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.850 -3.387 -3.864 1.00 0.00 C ATOM 1473 OH TYR B 32 -11.085 -3.499 -3.266 1.00 0.00 O ATOM 0 H TYR B 32 -3.089 -4.629 -5.472 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.130 -4.739 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -5.381 -2.308 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.084 -2.759 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.584 -3.747 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.466 -2.627 -6.834 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.784 -3.945 -2.102 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -10.663 -2.812 -5.754 1.00 0.00 H new ATOM 0 HH TYR B 32 -11.784 -3.276 -3.915 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.015 -5.293 -7.864 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.712 -6.221 -8.780 1.00 0.00 C ATOM 1485 C LYS B 33 -6.124 -6.099 -10.204 1.00 0.00 C ATOM 1486 O LYS B 33 -5.622 -7.073 -10.773 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.235 -5.902 -8.762 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.112 -6.746 -9.712 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.168 -8.246 -9.337 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.121 -9.043 -10.250 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.245 -10.467 -9.840 1.00 0.00 N ATOM 0 H LYS B 33 -5.669 -4.451 -8.325 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.569 -7.251 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.603 -6.036 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.369 -4.850 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.125 -6.342 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.730 -6.648 -10.728 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.167 -8.672 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.492 -8.347 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.106 -8.577 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -9.760 -8.994 -11.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.896 -10.959 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.311 -10.922 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.615 -10.518 -8.869 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.189 -4.881 -10.754 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.660 -4.538 -12.095 1.00 0.00 C ATOM 1507 C ALA B 34 -5.161 -3.086 -12.057 1.00 0.00 C ATOM 1508 O ALA B 34 -5.207 -2.469 -10.987 1.00 0.00 O ATOM 1509 CB ALA B 34 -6.746 -4.737 -13.166 1.00 0.00 C ATOM 0 H ALA B 34 -6.617 -4.087 -10.278 1.00 0.00 H new ATOM 0 HA ALA B 34 -4.831 -5.195 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.342 -4.481 -14.146 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.069 -5.778 -13.167 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.597 -4.093 -12.945 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.703 -2.512 -13.204 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.131 -1.145 -13.217 1.00 0.00 C ATOM 1517 C LYS B 35 -5.226 -0.085 -12.972 1.00 0.00 C ATOM 1518 O LYS B 35 -5.002 0.856 -12.238 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.329 -0.826 -14.523 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.145 -0.455 -15.791 1.00 0.00 C ATOM 1521 CD LYS B 35 -4.971 -1.611 -16.388 1.00 0.00 C ATOM 1522 CE LYS B 35 -5.880 -1.130 -17.540 1.00 0.00 C ATOM 1523 NZ LYS B 35 -6.669 -2.239 -18.133 1.00 0.00 N ATOM 0 H LYS B 35 -4.720 -2.970 -14.115 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.414 -1.106 -12.397 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.649 -0.002 -14.307 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.714 -1.694 -14.761 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.819 0.366 -15.545 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.458 -0.086 -16.553 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.299 -2.387 -16.755 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.582 -2.062 -15.607 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -6.558 -0.362 -17.169 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.268 -0.667 -18.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -7.264 -1.869 -18.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -6.023 -2.961 -18.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -7.273 -2.665 -17.402 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.412 -0.254 -13.596 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.561 0.657 -13.394 1.00 0.00 C ATOM 1539 C ALA B 36 -7.982 0.675 -11.913 1.00 0.00 C ATOM 1540 O ALA B 36 -8.143 1.750 -11.313 1.00 0.00 O ATOM 1541 CB ALA B 36 -8.735 0.258 -14.301 1.00 0.00 C ATOM 0 H ALA B 36 -6.600 -1.017 -14.247 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.255 1.667 -13.669 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.569 0.940 -14.137 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.423 0.310 -15.344 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.047 -0.760 -14.066 1.00 0.00 H new ATOM 1547 N SER B 37 -8.089 -0.531 -11.329 1.00 0.00 N ATOM 1548 CA SER B 37 -8.379 -0.715 -9.893 1.00 0.00 C ATOM 1549 C SER B 37 -7.224 -0.201 -9.010 1.00 0.00 C ATOM 1550 O SER B 37 -7.437 0.141 -7.839 1.00 0.00 O ATOM 1551 CB SER B 37 -8.643 -2.205 -9.609 1.00 0.00 C ATOM 1552 OG SER B 37 -9.772 -2.664 -10.334 1.00 0.00 O ATOM 0 H SER B 37 -7.977 -1.408 -11.838 1.00 0.00 H new ATOM 0 HA SER B 37 -9.266 -0.131 -9.646 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.767 -2.793 -9.882 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.806 -2.353 -8.541 1.00 0.00 H new ATOM 0 HG SER B 37 -9.921 -3.613 -10.141 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.006 -0.161 -9.593 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.811 0.377 -8.930 1.00 0.00 C ATOM 1560 C ALA B 38 -4.935 1.896 -8.756 1.00 0.00 C ATOM 1561 O ALA B 38 -4.608 2.397 -7.688 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.522 0.012 -9.693 1.00 0.00 C ATOM 0 H ALA B 38 -5.830 -0.503 -10.538 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.742 -0.082 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.660 0.428 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.425 -1.072 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.568 0.422 -10.702 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.410 2.631 -9.808 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.714 4.082 -9.686 1.00 0.00 C ATOM 1570 C ILE B 39 -6.728 4.319 -8.553 1.00 0.00 C ATOM 1571 O ILE B 39 -6.498 5.177 -7.719 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.255 4.764 -11.026 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -5.113 4.977 -12.077 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.963 6.129 -10.755 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.620 3.729 -12.755 1.00 0.00 C ATOM 0 H ILE B 39 -5.587 2.244 -10.735 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.759 4.557 -9.464 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.988 4.068 -11.433 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.469 5.668 -12.841 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.270 5.458 -11.580 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.312 6.551 -11.697 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.813 5.973 -10.090 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.259 6.818 -10.288 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.832 3.986 -13.462 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -4.226 3.040 -12.008 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.444 3.254 -13.287 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.830 3.527 -8.530 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.899 3.660 -7.500 1.00 0.00 C ATOM 1589 C HIS B 40 -8.329 3.520 -6.074 1.00 0.00 C ATOM 1590 O HIS B 40 -8.698 4.287 -5.155 1.00 0.00 O ATOM 1591 CB HIS B 40 -10.044 2.636 -7.741 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.926 2.982 -8.916 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.930 3.923 -8.846 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.942 2.528 -10.189 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.524 4.022 -10.015 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.946 3.186 -10.845 1.00 0.00 N ATOM 0 H HIS B 40 -8.004 2.789 -9.212 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.318 4.662 -7.594 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.610 1.649 -7.901 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.658 2.572 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.283 1.783 -10.611 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.347 4.679 -10.252 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.204 3.049 -11.822 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.405 2.560 -5.911 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.631 2.398 -4.681 1.00 0.00 C ATOM 1607 C ALA B 41 -5.884 3.705 -4.358 1.00 0.00 C ATOM 1608 O ALA B 41 -6.101 4.305 -3.316 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.667 1.202 -4.811 1.00 0.00 C ATOM 0 H ALA B 41 -7.177 1.876 -6.632 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.305 2.185 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.097 1.092 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.239 0.292 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.983 1.375 -5.642 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.082 4.174 -5.312 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.298 5.418 -5.177 1.00 0.00 C ATOM 1617 C ILE B 42 -5.201 6.649 -4.908 1.00 0.00 C ATOM 1618 O ILE B 42 -4.782 7.593 -4.238 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.424 5.640 -6.459 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.469 4.425 -6.668 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.630 6.963 -6.384 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.856 4.326 -8.044 1.00 0.00 C ATOM 0 H ILE B 42 -4.951 3.705 -6.208 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.644 5.308 -4.312 1.00 0.00 H new ATOM 0 HB ILE B 42 -4.091 5.715 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.667 4.482 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -3.022 3.508 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.036 7.083 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.324 7.799 -6.292 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.970 6.942 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.208 3.451 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.647 4.234 -8.789 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.270 5.222 -8.247 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.462 6.598 -5.374 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.430 7.691 -5.179 1.00 0.00 C ATOM 1636 C GLU B 43 -7.793 7.835 -3.694 1.00 0.00 C ATOM 1637 O GLU B 43 -8.091 8.947 -3.245 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.702 7.519 -6.050 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.464 7.703 -7.563 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.760 7.674 -8.395 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.198 6.571 -8.800 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -10.357 8.748 -8.632 1.00 0.00 O ATOM 0 H GLU B 43 -6.836 5.803 -5.893 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.947 8.610 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -9.115 6.525 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.453 8.238 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.955 8.652 -7.730 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.797 6.917 -7.916 1.00 0.00 H new ATOM 1649 N SER B 44 -7.739 6.709 -2.939 1.00 0.00 N ATOM 1650 CA SER B 44 -7.834 6.736 -1.461 1.00 0.00 C ATOM 1651 C SER B 44 -6.737 7.606 -0.844 1.00 0.00 C ATOM 1652 O SER B 44 -6.989 8.346 0.122 1.00 0.00 O ATOM 1653 CB SER B 44 -7.703 5.312 -0.886 1.00 0.00 C ATOM 1654 OG SER B 44 -8.856 4.537 -1.157 1.00 0.00 O ATOM 0 H SER B 44 -7.630 5.773 -3.331 1.00 0.00 H new ATOM 0 HA SER B 44 -8.808 7.156 -1.212 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.827 4.825 -1.313 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.544 5.366 0.191 1.00 0.00 H new ATOM 0 HG SER B 44 -9.259 4.244 -0.313 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.518 7.509 -1.412 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.349 8.186 -0.859 1.00 0.00 C ATOM 1662 C ILE B 45 -4.511 9.697 -1.037 1.00 0.00 C ATOM 1663 O ILE B 45 -4.285 10.479 -0.107 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.974 7.738 -1.510 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.943 6.224 -1.870 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.841 8.044 -0.518 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.937 5.293 -0.688 1.00 0.00 C ATOM 0 H ILE B 45 -5.327 6.966 -2.254 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.303 7.906 0.193 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.850 8.292 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.809 5.995 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.057 6.027 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.887 7.742 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.821 9.113 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.010 7.494 0.408 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.915 4.261 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.056 5.488 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.836 5.455 -0.093 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.953 10.076 -2.248 1.00 0.00 N ATOM 1680 CA LYS B 46 -5.094 11.489 -2.675 1.00 0.00 C ATOM 1681 C LYS B 46 -6.055 12.295 -1.791 1.00 0.00 C ATOM 1682 O LYS B 46 -5.965 13.526 -1.721 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.552 11.591 -4.171 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.883 10.604 -5.175 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.351 10.404 -4.992 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.537 11.688 -5.080 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.770 12.410 -6.347 1.00 0.00 N ATOM 0 H LYS B 46 -5.226 9.408 -2.969 1.00 0.00 H new ATOM 0 HA LYS B 46 -4.101 11.926 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.630 11.436 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -5.364 12.608 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.372 9.634 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -5.067 10.962 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -3.170 9.939 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.994 9.708 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.793 12.336 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.477 11.451 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.958 13.028 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -2.884 11.725 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.632 12.986 -6.265 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.961 11.577 -1.125 1.00 0.00 N ATOM 1702 CA ARG B 47 -8.017 12.174 -0.293 1.00 0.00 C ATOM 1703 C ARG B 47 -7.444 12.939 0.925 1.00 0.00 C ATOM 1704 O ARG B 47 -7.701 14.141 1.087 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.019 11.083 0.178 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.860 10.445 -0.947 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.692 11.491 -1.707 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.549 12.280 -0.795 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.958 13.540 -0.997 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -11.600 14.214 -2.082 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.692 14.136 -0.078 1.00 0.00 N ATOM 0 H ARG B 47 -6.986 10.558 -1.145 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.542 12.900 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.464 10.296 0.688 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.694 11.523 0.912 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.200 9.929 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.524 9.693 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.025 12.161 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.315 10.991 -2.449 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.856 11.824 0.064 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -11.002 13.774 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.922 15.172 -2.217 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.943 13.638 0.776 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -13.009 15.095 -0.221 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.635 12.235 1.745 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.215 12.727 3.094 1.00 0.00 C ATOM 1727 C ASN B 48 -5.216 11.757 3.770 1.00 0.00 C ATOM 1728 O ASN B 48 -5.017 11.804 4.978 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.478 12.981 3.990 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.236 13.562 5.394 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.943 13.221 6.349 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -6.271 14.463 5.530 1.00 0.00 N ATOM 0 H ASN B 48 -6.254 11.320 1.504 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.690 13.674 2.968 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.143 13.658 3.454 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.009 12.036 4.102 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -6.098 14.892 6.439 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -5.702 14.726 4.725 1.00 0.00 H new ATOM 1739 N SER B 49 -4.578 10.876 2.989 1.00 0.00 N ATOM 1740 CA SER B 49 -3.667 9.848 3.540 1.00 0.00 C ATOM 1741 C SER B 49 -2.417 10.464 4.204 1.00 0.00 C ATOM 1742 O SER B 49 -1.883 9.911 5.170 1.00 0.00 O ATOM 1743 CB SER B 49 -3.252 8.895 2.441 1.00 0.00 C ATOM 1744 OG SER B 49 -2.490 7.815 2.926 1.00 0.00 O ATOM 0 H SER B 49 -4.672 10.849 1.974 1.00 0.00 H new ATOM 0 HA SER B 49 -4.211 9.310 4.316 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.142 8.513 1.940 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.674 9.437 1.693 1.00 0.00 H new ATOM 0 HG SER B 49 -2.498 7.823 3.906 1.00 0.00 H new ATOM 1750 N ALA B 50 -1.955 11.606 3.664 1.00 0.00 N ATOM 1751 CA ALA B 50 -0.888 12.408 4.286 1.00 0.00 C ATOM 1752 C ALA B 50 -1.312 12.949 5.675 1.00 0.00 C ATOM 1753 O ALA B 50 -0.461 13.221 6.526 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.452 13.535 3.337 1.00 0.00 C ATOM 0 H ALA B 50 -2.308 11.996 2.790 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.028 11.761 4.459 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.337 14.122 3.807 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.079 13.104 2.408 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.304 14.180 3.122 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.640 13.088 5.887 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.216 13.456 7.193 1.00 0.00 C ATOM 1762 C GLY B 51 -3.819 12.280 7.978 1.00 0.00 C ATOM 1763 O GLY B 51 -4.319 12.481 9.093 1.00 0.00 O ATOM 0 H GLY B 51 -3.338 12.948 5.157 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.440 13.922 7.800 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -3.991 14.207 7.036 1.00 0.00 H new ATOM 1767 N ALA B 52 -3.782 11.058 7.395 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.286 9.816 8.047 1.00 0.00 C ATOM 1769 C ALA B 52 -3.444 9.438 9.287 1.00 0.00 C ATOM 1770 O ALA B 52 -2.409 10.029 9.533 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.305 8.656 7.034 1.00 0.00 C ATOM 0 H ALA B 52 -3.403 10.901 6.461 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.303 10.008 8.389 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.675 7.754 7.521 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -4.958 8.912 6.200 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.295 8.480 6.663 1.00 0.00 H new ATOM 1777 N ASP B 53 -3.905 8.455 10.073 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.175 7.990 11.279 1.00 0.00 C ATOM 1779 C ASP B 53 -2.357 6.728 10.957 1.00 0.00 C ATOM 1780 O ASP B 53 -2.597 6.069 9.950 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.179 7.733 12.436 1.00 0.00 C ATOM 1782 CG ASP B 53 -3.489 7.528 13.798 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -2.932 8.510 14.339 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -3.477 6.397 14.319 1.00 0.00 O ATOM 0 H ASP B 53 -4.781 7.961 9.902 1.00 0.00 H new ATOM 0 HA ASP B 53 -2.477 8.764 11.598 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -4.867 8.576 12.507 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -4.777 6.852 12.202 1.00 0.00 H new ATOM 1789 N THR B 54 -1.359 6.428 11.794 1.00 0.00 N ATOM 1790 CA THR B 54 -0.535 5.215 11.675 1.00 0.00 C ATOM 1791 C THR B 54 -0.772 4.308 12.908 1.00 0.00 C ATOM 1792 O THR B 54 -0.228 4.547 13.990 1.00 0.00 O ATOM 1793 CB THR B 54 0.976 5.611 11.521 1.00 0.00 C ATOM 1794 OG1 THR B 54 1.102 6.576 10.453 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.880 4.400 11.217 1.00 0.00 C ATOM 0 H THR B 54 -1.096 7.023 12.580 1.00 0.00 H new ATOM 0 HA THR B 54 -0.820 4.654 10.785 1.00 0.00 H new ATOM 0 HB THR B 54 1.304 6.031 12.472 1.00 0.00 H new ATOM 0 HG1 THR B 54 2.043 6.830 10.351 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.914 4.733 11.121 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.806 3.677 12.030 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.561 3.933 10.285 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.628 3.285 12.722 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.062 2.345 13.779 1.00 0.00 C ATOM 1805 C VAL B 55 -1.264 1.025 13.663 1.00 0.00 C ATOM 1806 O VAL B 55 -1.141 0.487 12.565 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.609 2.031 13.645 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.133 1.194 14.841 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.436 3.327 13.470 1.00 0.00 C ATOM 0 H VAL B 55 -2.047 3.083 11.814 1.00 0.00 H new ATOM 0 HA VAL B 55 -1.876 2.807 14.749 1.00 0.00 H new ATOM 0 HB VAL B 55 -3.735 1.430 12.745 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.198 1.000 14.711 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.595 0.247 14.886 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.975 1.745 15.768 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.493 3.075 13.381 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.288 3.972 14.336 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.110 3.848 12.570 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.719 0.529 14.794 1.00 0.00 N ATOM 1820 CA ASP B 56 0.005 -0.769 14.862 1.00 0.00 C ATOM 1821 C ASP B 56 -0.840 -1.798 15.653 1.00 0.00 C ATOM 1822 O ASP B 56 -1.035 -1.663 16.867 1.00 0.00 O ATOM 1823 CB ASP B 56 1.406 -0.583 15.507 1.00 0.00 C ATOM 1824 CG ASP B 56 2.267 -1.859 15.497 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.065 -2.735 16.365 1.00 0.00 O ATOM 1826 OD2 ASP B 56 3.149 -1.989 14.621 1.00 0.00 O ATOM 0 H ASP B 56 -0.766 1.014 15.690 1.00 0.00 H new ATOM 0 HA ASP B 56 0.155 -1.146 13.850 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.938 0.207 14.977 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.280 -0.248 16.537 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.364 -2.796 14.932 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.226 -3.870 15.472 1.00 0.00 C ATOM 1833 C LEU B 57 -1.428 -5.081 15.971 1.00 0.00 C ATOM 1834 O LEU B 57 -1.955 -5.876 16.758 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.261 -4.335 14.400 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.304 -3.269 13.928 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -5.067 -2.659 15.119 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.659 -2.171 13.071 1.00 0.00 C ATOM 0 H LEU B 57 -1.200 -2.887 13.929 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.746 -3.443 16.330 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.712 -4.686 13.526 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.805 -5.191 14.800 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.024 -3.792 13.299 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.783 -1.923 14.754 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.598 -3.447 15.653 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.361 -2.175 15.794 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.420 -1.453 12.766 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.891 -1.660 13.652 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.207 -2.619 12.186 1.00 0.00 H new ATOM 1850 N THR B 58 -0.159 -5.212 15.539 1.00 0.00 N ATOM 1851 CA THR B 58 0.663 -6.412 15.825 1.00 0.00 C ATOM 1852 C THR B 58 1.275 -6.371 17.254 1.00 0.00 C ATOM 1853 O THR B 58 2.192 -7.135 17.575 1.00 0.00 O ATOM 1854 CB THR B 58 1.749 -6.642 14.706 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.555 -7.788 14.990 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.655 -5.431 14.474 1.00 0.00 C ATOM 0 H THR B 58 0.324 -4.501 14.989 1.00 0.00 H new ATOM 0 HA THR B 58 0.001 -7.277 15.805 1.00 0.00 H new ATOM 0 HB THR B 58 1.183 -6.806 13.789 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.670 -7.875 15.959 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.377 -5.662 13.691 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.050 -4.577 14.169 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.184 -5.190 15.396 1.00 0.00 H new ATOM 1864 N THR B 59 0.722 -5.498 18.127 1.00 0.00 N ATOM 1865 CA THR B 59 0.987 -5.519 19.573 1.00 0.00 C ATOM 1866 C THR B 59 0.222 -6.707 20.203 1.00 0.00 C ATOM 1867 O THR B 59 0.706 -7.364 21.131 1.00 0.00 O ATOM 1868 CB THR B 59 0.538 -4.176 20.249 1.00 0.00 C ATOM 1869 OG1 THR B 59 -0.883 -4.005 20.108 1.00 0.00 O ATOM 1870 CG2 THR B 59 1.251 -2.952 19.642 1.00 0.00 C ATOM 0 H THR B 59 0.079 -4.760 17.842 1.00 0.00 H new ATOM 0 HA THR B 59 2.059 -5.633 19.735 1.00 0.00 H new ATOM 0 HB THR B 59 0.811 -4.241 21.302 1.00 0.00 H new ATOM 0 HG1 THR B 59 -1.155 -3.165 20.534 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.908 -2.046 20.142 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.328 -3.055 19.776 1.00 0.00 H new ATOM 0 HG23 THR B 59 1.022 -2.888 18.578 1.00 0.00 H new