USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 0 HEMFE :(H bumps) USER MOD Set 1.1: A 0 HEM CMC :methyl -30:sc= -1.19 (180deg=-0.111) USER MOD Set 1.2: A 58 TYR OH : rot -8:sc= 1.24 USER MOD Set 2.1: A 13 THR OG1 : rot 99:sc= 1.37 USER MOD Set 2.2: A 16 SER OG : rot 87:sc= 2.33 USER MOD Single : A 0 HEM CMA :methyl 150:sc= -0.647 (180deg=-0.647) USER MOD Single : A 0 HEM CMB :methyl 150:sc= -0.332 (180deg=-0.332) USER MOD Single : A 0 HEM CMD :methyl -30:sc= -0.227 (180deg=-3.3!) USER MOD Single : A 1 ASP N :NH3+ 158:sc= 2.26 (180deg=1.57) USER MOD Single : A 4 SER OG : rot 75:sc= 0.752 USER MOD Single : A 6 TYR OH : rot 15:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.143 X(o=0.14,f=-0.13) USER MOD Single : A 10 THR OG1 : rot -79:sc= 1.12 USER MOD Single : A 15 SER OG : rot -155:sc= 1.21 USER MOD Single : A 29 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.29) USER MOD Single : A 39 SER OG : rot 180:sc= 0.105 USER MOD Single : A 40 SER OG : rot 158:sc= 0.956 USER MOD Single : A 47 SER OG : rot -110:sc= 0.00238 USER MOD Single : A 48 THR OG1 : rot 76:sc= 0.842 USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0.238 (180deg=0.0138) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.176 (180deg=-1.63) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 1.02 (180deg=0.889) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -170:sc= -0.0161 (180deg=-0.259) USER MOD Single : A 76 SER OG : rot 73:sc= 1.21 USER MOD Single : A 77 THR OG1 : rot -70:sc= 1.89 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.116 12.327 -0.105 1.00 0.00 N ATOM 2 CA ASP A 1 5.773 12.107 0.451 1.00 0.00 C ATOM 3 C ASP A 1 5.525 10.628 0.626 1.00 0.00 C ATOM 4 O ASP A 1 6.321 9.842 0.115 1.00 0.00 O ATOM 5 CB ASP A 1 4.694 12.548 -0.514 1.00 0.00 C ATOM 6 CG ASP A 1 4.760 14.028 -0.864 1.00 0.00 C ATOM 7 OD1 ASP A 1 5.906 14.510 -1.007 1.00 0.00 O ATOM 8 OD2 ASP A 1 3.676 14.636 -0.973 1.00 0.00 O ATOM 0 H1 ASP A 1 7.153 13.260 -0.564 1.00 0.00 H new ATOM 0 H2 ASP A 1 7.819 12.289 0.660 1.00 0.00 H new ATOM 0 H3 ASP A 1 7.327 11.588 -0.806 1.00 0.00 H new ATOM 0 HA ASP A 1 5.735 12.666 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.775 11.962 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 1 3.718 12.328 -0.081 1.00 0.00 H new ATOM 9 N GLY A 2 4.434 10.256 1.305 1.00 0.00 N ATOM 10 CA GLY A 2 4.010 8.873 1.457 1.00 0.00 C ATOM 11 C GLY A 2 4.866 8.097 2.444 1.00 0.00 C ATOM 12 O GLY A 2 4.346 7.293 3.212 1.00 0.00 O ATOM 0 H GLY A 2 3.816 10.922 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.972 8.851 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.045 8.379 0.486 1.00 0.00 H new ATOM 13 N GLU A 3 6.172 8.362 2.428 1.00 0.00 N ATOM 14 CA GLU A 3 7.143 7.668 3.267 1.00 0.00 C ATOM 15 C GLU A 3 6.669 7.617 4.724 1.00 0.00 C ATOM 16 O GLU A 3 6.484 6.541 5.281 1.00 0.00 O ATOM 17 CB GLU A 3 8.550 8.279 3.097 1.00 0.00 C ATOM 18 CG GLU A 3 8.842 9.663 3.707 1.00 0.00 C ATOM 19 CD GLU A 3 7.962 10.776 3.151 1.00 0.00 C ATOM 20 OE1 GLU A 3 8.327 11.321 2.086 1.00 0.00 O ATOM 21 OE2 GLU A 3 6.920 11.055 3.787 1.00 0.00 O ATOM 0 H GLU A 3 6.588 9.072 1.825 1.00 0.00 H new ATOM 0 HA GLU A 3 7.221 6.631 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.267 7.575 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.755 8.341 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.706 9.610 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.887 9.915 3.529 1.00 0.00 H new ATOM 22 N SER A 4 6.403 8.775 5.322 1.00 0.00 N ATOM 23 CA SER A 4 5.988 8.884 6.710 1.00 0.00 C ATOM 24 C SER A 4 4.739 8.042 6.982 1.00 0.00 C ATOM 25 O SER A 4 4.666 7.339 7.988 1.00 0.00 O ATOM 26 CB SER A 4 5.726 10.362 7.029 1.00 0.00 C ATOM 27 OG SER A 4 6.800 11.165 6.569 1.00 0.00 O ATOM 0 H SER A 4 6.472 9.674 4.846 1.00 0.00 H new ATOM 0 HA SER A 4 6.780 8.502 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.796 10.683 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.601 10.492 8.104 1.00 0.00 H new ATOM 0 HG SER A 4 6.748 11.254 5.594 1.00 0.00 H new ATOM 28 N ILE A 5 3.774 8.120 6.064 1.00 0.00 N ATOM 29 CA ILE A 5 2.476 7.475 6.131 1.00 0.00 C ATOM 30 C ILE A 5 2.665 5.957 6.141 1.00 0.00 C ATOM 31 O ILE A 5 2.247 5.281 7.085 1.00 0.00 O ATOM 32 CB ILE A 5 1.632 7.988 4.942 1.00 0.00 C ATOM 33 CG1 ILE A 5 1.644 9.530 4.939 1.00 0.00 C ATOM 34 CG2 ILE A 5 0.199 7.454 5.022 1.00 0.00 C ATOM 35 CD1 ILE A 5 0.797 10.132 3.824 1.00 0.00 C ATOM 0 H ILE A 5 3.891 8.666 5.210 1.00 0.00 H new ATOM 0 HA ILE A 5 1.941 7.720 7.048 1.00 0.00 H new ATOM 0 HB ILE A 5 2.066 7.625 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.279 9.892 5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.671 9.879 4.836 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.376 7.828 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.215 6.364 4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.263 7.789 5.951 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.847 11.220 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.176 9.797 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.238 9.810 3.939 1.00 0.00 H new ATOM 36 N TYR A 6 3.324 5.437 5.103 1.00 0.00 N ATOM 37 CA TYR A 6 3.602 4.019 4.936 1.00 0.00 C ATOM 38 C TYR A 6 4.409 3.479 6.119 1.00 0.00 C ATOM 39 O TYR A 6 4.065 2.443 6.690 1.00 0.00 O ATOM 40 CB TYR A 6 4.367 3.804 3.616 1.00 0.00 C ATOM 41 CG TYR A 6 4.927 2.400 3.444 1.00 0.00 C ATOM 42 CD1 TYR A 6 6.148 2.065 4.055 1.00 0.00 C ATOM 43 CD2 TYR A 6 4.180 1.397 2.803 1.00 0.00 C ATOM 44 CE1 TYR A 6 6.550 0.726 4.169 1.00 0.00 C ATOM 45 CE2 TYR A 6 4.596 0.055 2.886 1.00 0.00 C ATOM 46 CZ TYR A 6 5.770 -0.283 3.580 1.00 0.00 C ATOM 47 OH TYR A 6 6.175 -1.583 3.634 1.00 0.00 O ATOM 0 H TYR A 6 3.686 6.009 4.340 1.00 0.00 H new ATOM 0 HA TYR A 6 2.659 3.473 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.700 4.022 2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.187 4.520 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.784 2.848 4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.290 1.655 2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.452 0.473 4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.010 -0.719 2.414 1.00 0.00 H new ATOM 0 HH TYR A 6 6.882 -1.678 4.306 1.00 0.00 H new ATOM 48 N ILE A 7 5.512 4.159 6.449 1.00 0.00 N ATOM 49 CA ILE A 7 6.439 3.692 7.464 1.00 0.00 C ATOM 50 C ILE A 7 5.803 3.751 8.853 1.00 0.00 C ATOM 51 O ILE A 7 5.897 2.775 9.597 1.00 0.00 O ATOM 52 CB ILE A 7 7.757 4.497 7.421 1.00 0.00 C ATOM 53 CG1 ILE A 7 8.493 4.423 6.065 1.00 0.00 C ATOM 54 CG2 ILE A 7 8.709 3.974 8.505 1.00 0.00 C ATOM 55 CD1 ILE A 7 9.196 3.093 5.785 1.00 0.00 C ATOM 0 H ILE A 7 5.779 5.044 6.017 1.00 0.00 H new ATOM 0 HA ILE A 7 6.677 2.650 7.249 1.00 0.00 H new ATOM 0 HB ILE A 7 7.478 5.538 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.775 4.612 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.232 5.223 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.640 4.541 8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.244 4.089 9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.921 2.920 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.684 3.137 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.943 2.907 6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.463 2.286 5.787 1.00 0.00 H new ATOM 56 N ASN A 8 5.178 4.877 9.222 1.00 0.00 N ATOM 57 CA ASN A 8 4.680 5.057 10.586 1.00 0.00 C ATOM 58 C ASN A 8 3.578 6.112 10.719 1.00 0.00 C ATOM 59 O ASN A 8 3.562 6.846 11.704 1.00 0.00 O ATOM 60 CB ASN A 8 5.863 5.388 11.518 1.00 0.00 C ATOM 61 CG ASN A 8 6.471 6.793 11.394 1.00 0.00 C ATOM 62 OD1 ASN A 8 7.150 7.239 12.311 1.00 0.00 O ATOM 63 ND2 ASN A 8 6.289 7.514 10.288 1.00 0.00 N ATOM 0 H ASN A 8 5.008 5.667 8.600 1.00 0.00 H new ATOM 0 HA ASN A 8 4.212 4.116 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.533 5.251 12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.653 4.659 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.715 8.437 10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.724 7.143 9.524 1.00 0.00 H new ATOM 64 N GLY A 9 2.638 6.186 9.772 1.00 0.00 N ATOM 65 CA GLY A 9 1.551 7.157 9.851 1.00 0.00 C ATOM 66 C GLY A 9 0.245 6.587 9.312 1.00 0.00 C ATOM 67 O GLY A 9 -0.527 7.302 8.679 1.00 0.00 O ATOM 0 H GLY A 9 2.611 5.587 8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.413 7.465 10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.819 8.050 9.286 1.00 0.00 H new ATOM 68 N THR A 10 0.004 5.300 9.565 1.00 0.00 N ATOM 69 CA THR A 10 -1.188 4.564 9.185 1.00 0.00 C ATOM 70 C THR A 10 -1.589 3.673 10.362 1.00 0.00 C ATOM 71 O THR A 10 -0.764 3.411 11.235 1.00 0.00 O ATOM 72 CB THR A 10 -0.900 3.769 7.902 1.00 0.00 C ATOM 73 OG1 THR A 10 0.435 3.285 7.855 1.00 0.00 O ATOM 74 CG2 THR A 10 -1.113 4.712 6.724 1.00 0.00 C ATOM 0 H THR A 10 0.675 4.718 10.067 1.00 0.00 H new ATOM 0 HA THR A 10 -2.024 5.228 8.965 1.00 0.00 H new ATOM 0 HB THR A 10 -1.565 2.906 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.036 4.009 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.917 4.181 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.142 5.071 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.432 5.559 6.809 1.00 0.00 H new ATOM 75 N ALA A 11 -2.856 3.248 10.416 1.00 0.00 N ATOM 76 CA ALA A 11 -3.384 2.428 11.498 1.00 0.00 C ATOM 77 C ALA A 11 -4.328 1.362 10.928 1.00 0.00 C ATOM 78 O ALA A 11 -5.435 1.712 10.526 1.00 0.00 O ATOM 79 CB ALA A 11 -4.130 3.336 12.483 1.00 0.00 C ATOM 0 H ALA A 11 -3.547 3.469 9.699 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.570 1.922 12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.531 2.735 13.299 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.442 4.080 12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.948 3.839 11.967 1.00 0.00 H new ATOM 80 N PRO A 12 -3.947 0.074 10.890 1.00 0.00 N ATOM 81 CA PRO A 12 -2.619 -0.455 11.175 1.00 0.00 C ATOM 82 C PRO A 12 -1.553 0.177 10.278 1.00 0.00 C ATOM 83 O PRO A 12 -1.861 0.631 9.176 1.00 0.00 O ATOM 84 CB PRO A 12 -2.710 -1.962 10.909 1.00 0.00 C ATOM 85 CG PRO A 12 -4.194 -2.273 11.096 1.00 0.00 C ATOM 86 CD PRO A 12 -4.866 -1.006 10.572 1.00 0.00 C ATOM 0 HA PRO A 12 -2.325 -0.233 12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.372 -2.212 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.091 -2.530 11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.498 -3.156 10.533 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.441 -2.461 12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.042 -1.069 9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.835 -0.850 11.045 1.00 0.00 H new ATOM 87 N THR A 13 -0.305 0.205 10.742 1.00 0.00 N ATOM 88 CA THR A 13 0.818 0.727 9.989 1.00 0.00 C ATOM 89 C THR A 13 1.055 -0.166 8.765 1.00 0.00 C ATOM 90 O THR A 13 1.194 -1.377 8.927 1.00 0.00 O ATOM 91 CB THR A 13 2.037 0.783 10.931 1.00 0.00 C ATOM 92 OG1 THR A 13 1.834 -0.039 12.071 1.00 0.00 O ATOM 93 CG2 THR A 13 2.256 2.206 11.442 1.00 0.00 C ATOM 0 H THR A 13 -0.049 -0.141 11.667 1.00 0.00 H new ATOM 0 HA THR A 13 0.628 1.735 9.619 1.00 0.00 H new ATOM 0 HB THR A 13 2.898 0.439 10.358 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.288 -0.898 11.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.121 2.225 12.105 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.431 2.873 10.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.372 2.537 11.988 1.00 0.00 H new ATOM 94 N CYS A 14 1.094 0.399 7.550 1.00 0.00 N ATOM 95 CA CYS A 14 1.285 -0.389 6.324 1.00 0.00 C ATOM 96 C CYS A 14 2.532 -1.274 6.440 1.00 0.00 C ATOM 97 O CYS A 14 2.501 -2.476 6.149 1.00 0.00 O ATOM 98 CB CYS A 14 1.434 0.511 5.086 1.00 0.00 C ATOM 99 SG CYS A 14 0.285 1.892 4.864 1.00 0.00 S ATOM 0 H CYS A 14 0.996 1.402 7.390 1.00 0.00 H new ATOM 0 HA CYS A 14 0.396 -1.009 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.444 0.921 5.097 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.358 -0.126 4.205 1.00 0.00 H new ATOM 100 N SER A 15 3.631 -0.649 6.874 1.00 0.00 N ATOM 101 CA SER A 15 4.931 -1.259 7.093 1.00 0.00 C ATOM 102 C SER A 15 4.829 -2.617 7.779 1.00 0.00 C ATOM 103 O SER A 15 5.418 -3.580 7.299 1.00 0.00 O ATOM 104 CB SER A 15 5.764 -0.286 7.929 1.00 0.00 C ATOM 105 OG SER A 15 4.961 0.257 8.963 1.00 0.00 O ATOM 0 H SER A 15 3.630 0.348 7.091 1.00 0.00 H new ATOM 0 HA SER A 15 5.406 -1.447 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.625 -0.801 8.355 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.151 0.513 7.297 1.00 0.00 H new ATOM 0 HG SER A 15 5.326 1.124 9.239 1.00 0.00 H new ATOM 106 N SER A 16 4.076 -2.704 8.878 1.00 0.00 N ATOM 107 CA SER A 16 3.907 -3.922 9.660 1.00 0.00 C ATOM 108 C SER A 16 3.652 -5.153 8.790 1.00 0.00 C ATOM 109 O SER A 16 4.091 -6.246 9.138 1.00 0.00 O ATOM 110 CB SER A 16 2.738 -3.752 10.637 1.00 0.00 C ATOM 111 OG SER A 16 2.604 -2.401 11.019 1.00 0.00 O ATOM 0 H SER A 16 3.557 -1.910 9.254 1.00 0.00 H new ATOM 0 HA SER A 16 4.841 -4.085 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.815 -4.097 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.901 -4.371 11.519 1.00 0.00 H new ATOM 0 HG SER A 16 2.037 -1.933 10.371 1.00 0.00 H new ATOM 112 N CYS A 17 2.913 -4.987 7.688 1.00 0.00 N ATOM 113 CA CYS A 17 2.583 -6.089 6.801 1.00 0.00 C ATOM 114 C CYS A 17 3.496 -6.101 5.583 1.00 0.00 C ATOM 115 O CYS A 17 4.128 -7.116 5.285 1.00 0.00 O ATOM 116 CB CYS A 17 1.122 -5.987 6.353 1.00 0.00 C ATOM 117 SG CYS A 17 -0.080 -6.465 7.621 1.00 0.00 S ATOM 0 H CYS A 17 2.532 -4.088 7.394 1.00 0.00 H new ATOM 0 HA CYS A 17 2.728 -7.020 7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.919 -4.961 6.045 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.978 -6.618 5.476 1.00 0.00 H new ATOM 118 N HIS A 18 3.557 -4.974 4.872 1.00 0.00 N ATOM 119 CA HIS A 18 4.253 -4.848 3.610 1.00 0.00 C ATOM 120 C HIS A 18 5.776 -4.917 3.719 1.00 0.00 C ATOM 121 O HIS A 18 6.430 -5.270 2.741 1.00 0.00 O ATOM 122 CB HIS A 18 3.784 -3.536 2.996 1.00 0.00 C ATOM 123 CG HIS A 18 2.446 -3.691 2.332 1.00 0.00 C ATOM 124 ND1 HIS A 18 2.334 -4.162 1.038 1.00 0.00 N ATOM 125 CD2 HIS A 18 1.156 -3.523 2.773 1.00 0.00 C ATOM 126 CE1 HIS A 18 1.027 -4.208 0.742 1.00 0.00 C ATOM 127 NE2 HIS A 18 0.253 -3.858 1.767 1.00 0.00 N ATOM 0 H HIS A 18 3.110 -4.108 5.173 1.00 0.00 H new ATOM 0 HA HIS A 18 4.010 -5.702 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.721 -2.772 3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.517 -3.191 2.266 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.103 -4.426 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.881 -3.180 3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.643 -4.498 -0.225 1.00 0.00 H new ATOM 128 N ASP A 19 6.354 -4.594 4.877 1.00 0.00 N ATOM 129 CA ASP A 19 7.799 -4.678 5.054 1.00 0.00 C ATOM 130 C ASP A 19 8.234 -6.145 5.011 1.00 0.00 C ATOM 131 O ASP A 19 9.239 -6.485 4.394 1.00 0.00 O ATOM 132 CB ASP A 19 8.201 -4.036 6.385 1.00 0.00 C ATOM 133 CG ASP A 19 9.711 -4.060 6.579 1.00 0.00 C ATOM 134 OD1 ASP A 19 10.364 -3.149 6.025 1.00 0.00 O ATOM 135 OD2 ASP A 19 10.177 -4.980 7.284 1.00 0.00 O ATOM 0 H ASP A 19 5.844 -4.274 5.700 1.00 0.00 H new ATOM 0 HA ASP A 19 8.297 -4.139 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.845 -3.006 6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.718 -4.565 7.207 1.00 0.00 H new ATOM 136 N ARG A 20 7.457 -7.006 5.673 1.00 0.00 N ATOM 137 CA ARG A 20 7.716 -8.435 5.769 1.00 0.00 C ATOM 138 C ARG A 20 7.065 -9.215 4.623 1.00 0.00 C ATOM 139 O ARG A 20 7.491 -10.324 4.312 1.00 0.00 O ATOM 140 CB ARG A 20 7.154 -8.950 7.099 1.00 0.00 C ATOM 141 CG ARG A 20 7.823 -8.287 8.311 1.00 0.00 C ATOM 142 CD ARG A 20 7.231 -8.854 9.605 1.00 0.00 C ATOM 143 NE ARG A 20 5.810 -8.497 9.729 1.00 0.00 N ATOM 144 CZ ARG A 20 4.841 -9.237 10.286 1.00 0.00 C ATOM 145 NH1 ARG A 20 5.101 -10.422 10.848 1.00 0.00 N ATOM 146 NH2 ARG A 20 3.596 -8.756 10.271 1.00 0.00 N ATOM 0 H ARG A 20 6.612 -6.717 6.167 1.00 0.00 H new ATOM 0 HA ARG A 20 8.794 -8.587 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.080 -8.765 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.293 -10.030 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.899 -8.462 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.675 -7.208 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.341 -9.938 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.783 -8.469 10.462 1.00 0.00 H new ATOM 0 HE ARG A 20 5.532 -7.591 9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.055 -10.783 10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.345 -10.965 11.265 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.405 -7.850 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.836 -9.295 10.687 1.00 0.00 H new ATOM 147 N GLY A 21 5.999 -8.670 4.033 1.00 0.00 N ATOM 148 CA GLY A 21 5.215 -9.356 3.018 1.00 0.00 C ATOM 149 C GLY A 21 4.316 -10.389 3.693 1.00 0.00 C ATOM 150 O GLY A 21 4.065 -11.467 3.152 1.00 0.00 O ATOM 0 H GLY A 21 5.658 -7.734 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.611 -8.639 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.874 -9.844 2.300 1.00 0.00 H new ATOM 151 N VAL A 22 3.824 -10.064 4.895 1.00 0.00 N ATOM 152 CA VAL A 22 3.015 -11.004 5.659 1.00 0.00 C ATOM 153 C VAL A 22 1.744 -11.317 4.867 1.00 0.00 C ATOM 154 O VAL A 22 1.243 -10.465 4.132 1.00 0.00 O ATOM 155 CB VAL A 22 2.726 -10.449 7.065 1.00 0.00 C ATOM 156 CG1 VAL A 22 1.569 -9.449 7.061 1.00 0.00 C ATOM 157 CG2 VAL A 22 2.413 -11.578 8.054 1.00 0.00 C ATOM 0 H VAL A 22 3.974 -9.164 5.351 1.00 0.00 H new ATOM 0 HA VAL A 22 3.555 -11.939 5.809 1.00 0.00 H new ATOM 0 HB VAL A 22 3.631 -9.930 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.400 -9.084 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.815 -8.611 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.666 -9.939 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.213 -11.154 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.537 -12.129 7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.266 -12.254 8.116 1.00 0.00 H new ATOM 158 N ALA A 23 1.254 -12.555 4.979 1.00 0.00 N ATOM 159 CA ALA A 23 0.082 -13.038 4.256 1.00 0.00 C ATOM 160 C ALA A 23 0.210 -12.782 2.746 1.00 0.00 C ATOM 161 O ALA A 23 -0.791 -12.614 2.057 1.00 0.00 O ATOM 162 CB ALA A 23 -1.184 -12.392 4.836 1.00 0.00 C ATOM 0 H ALA A 23 1.671 -13.260 5.587 1.00 0.00 H new ATOM 0 HA ALA A 23 0.009 -14.118 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.058 -12.754 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.276 -12.654 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.118 -11.309 4.736 1.00 0.00 H new ATOM 163 N GLY A 24 1.443 -12.762 2.227 1.00 0.00 N ATOM 164 CA GLY A 24 1.704 -12.536 0.818 1.00 0.00 C ATOM 165 C GLY A 24 1.453 -11.090 0.392 1.00 0.00 C ATOM 166 O GLY A 24 1.202 -10.845 -0.787 1.00 0.00 O ATOM 0 H GLY A 24 2.286 -12.904 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.738 -12.800 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.073 -13.199 0.226 1.00 0.00 H new ATOM 167 N ALA A 25 1.521 -10.122 1.317 1.00 0.00 N ATOM 168 CA ALA A 25 1.368 -8.722 0.939 1.00 0.00 C ATOM 169 C ALA A 25 2.460 -8.375 -0.078 1.00 0.00 C ATOM 170 O ALA A 25 3.617 -8.727 0.153 1.00 0.00 O ATOM 171 CB ALA A 25 1.481 -7.808 2.164 1.00 0.00 C ATOM 0 H ALA A 25 1.678 -10.284 2.312 1.00 0.00 H new ATOM 0 HA ALA A 25 0.381 -8.570 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.363 -6.769 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.702 -8.064 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.459 -7.940 2.628 1.00 0.00 H new ATOM 172 N PRO A 26 2.133 -7.710 -1.197 1.00 0.00 N ATOM 173 CA PRO A 26 3.117 -7.346 -2.197 1.00 0.00 C ATOM 174 C PRO A 26 4.124 -6.394 -1.544 1.00 0.00 C ATOM 175 O PRO A 26 3.744 -5.360 -0.994 1.00 0.00 O ATOM 176 CB PRO A 26 2.313 -6.739 -3.351 1.00 0.00 C ATOM 177 CG PRO A 26 1.073 -6.176 -2.664 1.00 0.00 C ATOM 178 CD PRO A 26 0.825 -7.199 -1.557 1.00 0.00 C ATOM 0 HA PRO A 26 3.707 -8.174 -2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.875 -5.960 -3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.052 -7.490 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.247 -5.177 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.227 -6.102 -3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.335 -6.737 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.173 -8.001 -1.903 1.00 0.00 H new ATOM 179 N GLU A 27 5.405 -6.766 -1.547 1.00 0.00 N ATOM 180 CA GLU A 27 6.434 -6.040 -0.820 1.00 0.00 C ATOM 181 C GLU A 27 7.004 -4.866 -1.612 1.00 0.00 C ATOM 182 O GLU A 27 6.910 -4.795 -2.837 1.00 0.00 O ATOM 183 CB GLU A 27 7.565 -7.012 -0.456 1.00 0.00 C ATOM 184 CG GLU A 27 7.073 -8.109 0.492 1.00 0.00 C ATOM 185 CD GLU A 27 8.214 -9.029 0.909 1.00 0.00 C ATOM 186 OE1 GLU A 27 8.881 -8.688 1.909 1.00 0.00 O ATOM 187 OE2 GLU A 27 8.408 -10.049 0.213 1.00 0.00 O ATOM 0 H GLU A 27 5.753 -7.579 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 27 5.973 -5.624 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.964 -7.465 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.382 -6.463 0.012 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.626 -7.655 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.292 -8.692 0.004 1.00 0.00 H new ATOM 188 N LEU A 28 7.618 -3.933 -0.886 1.00 0.00 N ATOM 189 CA LEU A 28 8.358 -2.835 -1.482 1.00 0.00 C ATOM 190 C LEU A 28 9.659 -3.433 -2.026 1.00 0.00 C ATOM 191 O LEU A 28 10.247 -4.305 -1.387 1.00 0.00 O ATOM 192 CB LEU A 28 8.642 -1.765 -0.419 1.00 0.00 C ATOM 193 CG LEU A 28 7.531 -0.711 -0.298 1.00 0.00 C ATOM 194 CD1 LEU A 28 6.127 -1.283 -0.084 1.00 0.00 C ATOM 195 CD2 LEU A 28 7.835 0.198 0.891 1.00 0.00 C ATOM 0 H LEU A 28 7.613 -3.922 0.134 1.00 0.00 H new ATOM 0 HA LEU A 28 7.796 -2.354 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.777 -2.251 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.581 -1.266 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 28 7.525 -0.183 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.409 -0.466 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.863 -1.923 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.108 -1.867 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.051 0.950 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.877 -0.398 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.794 0.692 0.736 1.00 0.00 H new ATOM 196 N ASN A 29 10.132 -2.953 -3.179 1.00 0.00 N ATOM 197 CA ASN A 29 11.343 -3.430 -3.858 1.00 0.00 C ATOM 198 C ASN A 29 11.147 -4.847 -4.420 1.00 0.00 C ATOM 199 O ASN A 29 12.118 -5.581 -4.581 1.00 0.00 O ATOM 200 CB ASN A 29 12.590 -3.417 -2.945 1.00 0.00 C ATOM 201 CG ASN A 29 12.726 -2.193 -2.047 1.00 0.00 C ATOM 202 OD1 ASN A 29 13.320 -1.188 -2.421 1.00 0.00 O ATOM 203 ND2 ASN A 29 12.187 -2.276 -0.834 1.00 0.00 N ATOM 0 H ASN A 29 9.669 -2.197 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 29 11.516 -2.730 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.570 -4.308 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.479 -3.489 -3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.262 -1.491 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.698 -3.125 -0.550 1.00 0.00 H new ATOM 204 N ALA A 30 9.907 -5.234 -4.742 1.00 0.00 N ATOM 205 CA ALA A 30 9.559 -6.552 -5.268 1.00 0.00 C ATOM 206 C ALA A 30 8.744 -6.433 -6.564 1.00 0.00 C ATOM 207 O ALA A 30 7.559 -6.755 -6.548 1.00 0.00 O ATOM 208 CB ALA A 30 8.746 -7.271 -4.187 1.00 0.00 C ATOM 0 H ALA A 30 9.099 -4.620 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 30 10.462 -7.112 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.466 -8.263 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.347 -7.366 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.846 -6.697 -3.966 1.00 0.00 H new ATOM 209 N PRO A 31 9.340 -6.000 -7.692 1.00 0.00 N ATOM 210 CA PRO A 31 8.650 -5.768 -8.962 1.00 0.00 C ATOM 211 C PRO A 31 7.594 -6.822 -9.305 1.00 0.00 C ATOM 212 O PRO A 31 6.437 -6.504 -9.579 1.00 0.00 O ATOM 213 CB PRO A 31 9.759 -5.713 -10.016 1.00 0.00 C ATOM 214 CG PRO A 31 10.928 -5.117 -9.235 1.00 0.00 C ATOM 215 CD PRO A 31 10.763 -5.730 -7.843 1.00 0.00 C ATOM 0 HA PRO A 31 8.074 -4.844 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.995 -6.702 -10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.480 -5.091 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.887 -5.381 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.879 -4.029 -9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.347 -6.646 -7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.115 -5.046 -7.071 1.00 0.00 H new ATOM 216 N GLU A 32 8.004 -8.088 -9.257 1.00 0.00 N ATOM 217 CA GLU A 32 7.184 -9.254 -9.551 1.00 0.00 C ATOM 218 C GLU A 32 5.852 -9.243 -8.789 1.00 0.00 C ATOM 219 O GLU A 32 4.841 -9.693 -9.322 1.00 0.00 O ATOM 220 CB GLU A 32 7.991 -10.538 -9.278 1.00 0.00 C ATOM 221 CG GLU A 32 8.481 -10.760 -7.832 1.00 0.00 C ATOM 222 CD GLU A 32 9.620 -9.847 -7.375 1.00 0.00 C ATOM 223 OE1 GLU A 32 10.267 -9.231 -8.251 1.00 0.00 O ATOM 224 OE2 GLU A 32 9.826 -9.772 -6.146 1.00 0.00 O ATOM 0 H GLU A 32 8.959 -8.336 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 32 6.920 -9.224 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.376 -11.392 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.861 -10.538 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.637 -10.625 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.806 -11.795 -7.732 1.00 0.00 H new ATOM 225 N ASP A 33 5.829 -8.715 -7.562 1.00 0.00 N ATOM 226 CA ASP A 33 4.616 -8.665 -6.756 1.00 0.00 C ATOM 227 C ASP A 33 3.597 -7.689 -7.350 1.00 0.00 C ATOM 228 O ASP A 33 2.398 -7.841 -7.122 1.00 0.00 O ATOM 229 CB ASP A 33 4.938 -8.215 -5.323 1.00 0.00 C ATOM 230 CG ASP A 33 5.787 -9.178 -4.499 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.160 -10.245 -5.031 1.00 0.00 O ATOM 232 OD2 ASP A 33 6.038 -8.821 -3.325 1.00 0.00 O ATOM 0 H ASP A 33 6.648 -8.314 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 33 4.194 -9.670 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.454 -7.256 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.999 -8.046 -4.796 1.00 0.00 H new ATOM 233 N TRP A 34 4.073 -6.670 -8.073 1.00 0.00 N ATOM 234 CA TRP A 34 3.256 -5.607 -8.649 1.00 0.00 C ATOM 235 C TRP A 34 3.003 -5.828 -10.139 1.00 0.00 C ATOM 236 O TRP A 34 2.003 -5.339 -10.661 1.00 0.00 O ATOM 237 CB TRP A 34 3.952 -4.271 -8.386 1.00 0.00 C ATOM 238 CG TRP A 34 4.178 -4.030 -6.928 1.00 0.00 C ATOM 239 CD1 TRP A 34 5.280 -4.394 -6.241 1.00 0.00 C ATOM 240 CD2 TRP A 34 3.236 -3.545 -5.933 1.00 0.00 C ATOM 241 NE1 TRP A 34 5.103 -4.165 -4.893 1.00 0.00 N ATOM 242 CE2 TRP A 34 3.850 -3.632 -4.647 1.00 0.00 C ATOM 243 CE3 TRP A 34 1.910 -3.067 -5.991 1.00 0.00 C ATOM 244 CZ2 TRP A 34 3.169 -3.268 -3.475 1.00 0.00 C ATOM 245 CZ3 TRP A 34 1.208 -2.742 -4.818 1.00 0.00 C ATOM 246 CH2 TRP A 34 1.818 -2.892 -3.564 1.00 0.00 C ATOM 0 H TRP A 34 5.067 -6.563 -8.277 1.00 0.00 H new ATOM 0 HA TRP A 34 2.274 -5.608 -8.176 1.00 0.00 H new ATOM 0 HB2 TRP A 34 4.909 -4.252 -8.908 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.349 -3.462 -8.797 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.174 -4.806 -6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.800 -4.362 -4.175 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.428 -2.949 -6.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.675 -3.277 -2.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.194 -2.375 -4.882 1.00 0.00 H new ATOM 0 HH2 TRP A 34 1.247 -2.718 -2.664 1.00 0.00 H new ATOM 247 N ALA A 35 3.894 -6.566 -10.811 1.00 0.00 N ATOM 248 CA ALA A 35 3.817 -6.919 -12.226 1.00 0.00 C ATOM 249 C ALA A 35 2.379 -7.202 -12.689 1.00 0.00 C ATOM 250 O ALA A 35 1.980 -6.749 -13.758 1.00 0.00 O ATOM 251 CB ALA A 35 4.672 -8.165 -12.463 1.00 0.00 C ATOM 0 H ALA A 35 4.724 -6.949 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 35 4.181 -6.068 -12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.626 -8.443 -13.516 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.706 -7.955 -12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.295 -8.986 -11.854 1.00 0.00 H new ATOM 252 N ASP A 36 1.612 -7.951 -11.884 1.00 0.00 N ATOM 253 CA ASP A 36 0.249 -8.370 -12.202 1.00 0.00 C ATOM 254 C ASP A 36 -0.789 -7.695 -11.294 1.00 0.00 C ATOM 255 O ASP A 36 -1.784 -8.318 -10.929 1.00 0.00 O ATOM 256 CB ASP A 36 0.164 -9.901 -12.093 1.00 0.00 C ATOM 257 CG ASP A 36 1.080 -10.597 -13.094 1.00 0.00 C ATOM 258 OD1 ASP A 36 0.601 -10.851 -14.221 1.00 0.00 O ATOM 259 OD2 ASP A 36 2.242 -10.861 -12.716 1.00 0.00 O ATOM 0 H ASP A 36 1.933 -8.287 -10.976 1.00 0.00 H new ATOM 0 HA ASP A 36 0.016 -8.058 -13.220 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.432 -10.208 -11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.865 -10.220 -12.261 1.00 0.00 H new ATOM 260 N ARG A 37 -0.576 -6.430 -10.921 1.00 0.00 N ATOM 261 CA ARG A 37 -1.500 -5.625 -10.128 1.00 0.00 C ATOM 262 C ARG A 37 -1.722 -4.290 -10.852 1.00 0.00 C ATOM 263 O ARG A 37 -0.869 -3.899 -11.649 1.00 0.00 O ATOM 264 CB ARG A 37 -0.918 -5.394 -8.728 1.00 0.00 C ATOM 265 CG ARG A 37 -0.813 -6.690 -7.933 1.00 0.00 C ATOM 266 CD ARG A 37 -0.514 -6.340 -6.475 1.00 0.00 C ATOM 267 NE ARG A 37 -0.385 -7.562 -5.690 1.00 0.00 N ATOM 268 CZ ARG A 37 -1.352 -8.166 -4.977 1.00 0.00 C ATOM 269 NH1 ARG A 37 -2.592 -7.671 -4.893 1.00 0.00 N ATOM 270 NH2 ARG A 37 -1.092 -9.305 -4.331 1.00 0.00 N ATOM 0 H ARG A 37 0.273 -5.924 -11.173 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.454 -6.140 -10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.070 -4.942 -8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.546 -4.686 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.743 -7.255 -8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.024 -7.322 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.405 -5.758 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.313 -5.719 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 37 0.534 -8.005 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.830 -6.807 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.299 -8.158 -4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.160 -9.717 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.825 -9.763 -3.790 1.00 0.00 H new ATOM 271 N PRO A 38 -2.849 -3.589 -10.628 1.00 0.00 N ATOM 272 CA PRO A 38 -3.111 -2.302 -11.260 1.00 0.00 C ATOM 273 C PRO A 38 -1.963 -1.319 -11.020 1.00 0.00 C ATOM 274 O PRO A 38 -1.574 -1.091 -9.879 1.00 0.00 O ATOM 275 CB PRO A 38 -4.405 -1.780 -10.623 1.00 0.00 C ATOM 276 CG PRO A 38 -5.127 -3.058 -10.199 1.00 0.00 C ATOM 277 CD PRO A 38 -3.979 -3.985 -9.797 1.00 0.00 C ATOM 0 HA PRO A 38 -3.204 -2.409 -12.341 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.201 -1.131 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.996 -1.200 -11.331 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.811 -2.879 -9.369 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.718 -3.477 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.743 -3.881 -8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.242 -5.030 -9.964 1.00 0.00 H new ATOM 278 N SER A 39 -1.414 -0.725 -12.079 1.00 0.00 N ATOM 279 CA SER A 39 -0.376 0.285 -11.961 1.00 0.00 C ATOM 280 C SER A 39 -0.987 1.563 -11.381 1.00 0.00 C ATOM 281 O SER A 39 -0.392 2.236 -10.541 1.00 0.00 O ATOM 282 CB SER A 39 0.197 0.520 -13.361 1.00 0.00 C ATOM 283 OG SER A 39 -0.857 0.450 -14.311 1.00 0.00 O ATOM 0 H SER A 39 -1.680 -0.934 -13.041 1.00 0.00 H new ATOM 0 HA SER A 39 0.425 -0.033 -11.293 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.683 1.494 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.957 -0.228 -13.587 1.00 0.00 H new ATOM 0 HG SER A 39 -0.498 0.601 -15.210 1.00 0.00 H new ATOM 284 N SER A 40 -2.185 1.896 -11.863 1.00 0.00 N ATOM 285 CA SER A 40 -2.972 3.051 -11.491 1.00 0.00 C ATOM 286 C SER A 40 -3.161 3.181 -9.974 1.00 0.00 C ATOM 287 O SER A 40 -4.030 2.524 -9.395 1.00 0.00 O ATOM 288 CB SER A 40 -4.333 2.901 -12.175 1.00 0.00 C ATOM 289 OG SER A 40 -4.180 2.407 -13.492 1.00 0.00 O ATOM 0 H SER A 40 -2.652 1.325 -12.567 1.00 0.00 H new ATOM 0 HA SER A 40 -2.451 3.954 -11.808 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.963 2.223 -11.598 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.841 3.865 -12.200 1.00 0.00 H new ATOM 0 HG SER A 40 -5.020 1.996 -13.787 1.00 0.00 H new ATOM 290 N VAL A 41 -2.404 4.086 -9.343 1.00 0.00 N ATOM 291 CA VAL A 41 -2.540 4.415 -7.925 1.00 0.00 C ATOM 292 C VAL A 41 -4.020 4.683 -7.616 1.00 0.00 C ATOM 293 O VAL A 41 -4.555 4.203 -6.620 1.00 0.00 O ATOM 294 CB VAL A 41 -1.667 5.642 -7.597 1.00 0.00 C ATOM 295 CG1 VAL A 41 -1.902 6.130 -6.163 1.00 0.00 C ATOM 296 CG2 VAL A 41 -0.176 5.316 -7.750 1.00 0.00 C ATOM 0 H VAL A 41 -1.670 4.616 -9.812 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.201 3.584 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.952 6.423 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.271 6.996 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.949 6.408 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.654 5.333 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.416 6.200 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.091 4.507 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.026 5.009 -8.776 1.00 0.00 H new ATOM 297 N ASP A 42 -4.673 5.427 -8.517 1.00 0.00 N ATOM 298 CA ASP A 42 -6.084 5.792 -8.483 1.00 0.00 C ATOM 299 C ASP A 42 -7.003 4.582 -8.263 1.00 0.00 C ATOM 300 O ASP A 42 -8.035 4.712 -7.606 1.00 0.00 O ATOM 301 CB ASP A 42 -6.421 6.481 -9.811 1.00 0.00 C ATOM 302 CG ASP A 42 -7.876 6.925 -9.858 1.00 0.00 C ATOM 303 OD1 ASP A 42 -8.167 7.968 -9.233 1.00 0.00 O ATOM 304 OD2 ASP A 42 -8.666 6.212 -10.512 1.00 0.00 O ATOM 0 H ASP A 42 -4.198 5.810 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.253 6.459 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.772 7.346 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.221 5.798 -10.637 1.00 0.00 H new ATOM 305 N GLU A 43 -6.635 3.419 -8.814 1.00 0.00 N ATOM 306 CA GLU A 43 -7.385 2.181 -8.655 1.00 0.00 C ATOM 307 C GLU A 43 -6.919 1.481 -7.378 1.00 0.00 C ATOM 308 O GLU A 43 -7.738 1.095 -6.548 1.00 0.00 O ATOM 309 CB GLU A 43 -7.184 1.274 -9.877 1.00 0.00 C ATOM 310 CG GLU A 43 -7.731 1.916 -11.162 1.00 0.00 C ATOM 311 CD GLU A 43 -7.448 1.051 -12.389 1.00 0.00 C ATOM 312 OE1 GLU A 43 -7.856 -0.130 -12.359 1.00 0.00 O ATOM 313 OE2 GLU A 43 -6.809 1.579 -13.327 1.00 0.00 O ATOM 0 H GLU A 43 -5.798 3.317 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.449 2.403 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.122 1.061 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.683 0.320 -9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.806 2.068 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.281 2.899 -11.298 1.00 0.00 H new ATOM 314 N LEU A 44 -5.601 1.327 -7.209 1.00 0.00 N ATOM 315 CA LEU A 44 -5.024 0.680 -6.031 1.00 0.00 C ATOM 316 C LEU A 44 -5.593 1.250 -4.727 1.00 0.00 C ATOM 317 O LEU A 44 -5.851 0.510 -3.772 1.00 0.00 O ATOM 318 CB LEU A 44 -3.501 0.853 -6.027 1.00 0.00 C ATOM 319 CG LEU A 44 -2.743 0.057 -7.100 1.00 0.00 C ATOM 320 CD1 LEU A 44 -1.238 0.259 -6.878 1.00 0.00 C ATOM 321 CD2 LEU A 44 -3.069 -1.439 -7.028 1.00 0.00 C ATOM 0 H LEU A 44 -4.908 1.648 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.284 -0.377 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.273 1.911 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.122 0.561 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.046 0.417 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.681 -0.299 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.997 1.319 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.965 -0.099 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.515 -1.970 -7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.787 -1.826 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.138 -1.586 -7.182 1.00 0.00 H new ATOM 322 N VAL A 45 -5.780 2.570 -4.654 1.00 0.00 N ATOM 323 CA VAL A 45 -6.331 3.164 -3.448 1.00 0.00 C ATOM 324 C VAL A 45 -7.744 2.640 -3.182 1.00 0.00 C ATOM 325 O VAL A 45 -8.105 2.489 -2.020 1.00 0.00 O ATOM 326 CB VAL A 45 -6.263 4.698 -3.488 1.00 0.00 C ATOM 327 CG1 VAL A 45 -7.064 5.331 -4.625 1.00 0.00 C ATOM 328 CG2 VAL A 45 -6.747 5.248 -2.144 1.00 0.00 C ATOM 0 H VAL A 45 -5.562 3.230 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.713 2.858 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.223 4.963 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.963 6.415 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.686 4.969 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.115 5.060 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.703 6.337 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.774 4.928 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.108 4.871 -1.345 1.00 0.00 H new ATOM 329 N GLU A 46 -8.539 2.324 -4.209 1.00 0.00 N ATOM 330 CA GLU A 46 -9.867 1.764 -3.995 1.00 0.00 C ATOM 331 C GLU A 46 -9.714 0.396 -3.332 1.00 0.00 C ATOM 332 O GLU A 46 -10.374 0.116 -2.331 1.00 0.00 O ATOM 333 CB GLU A 46 -10.641 1.665 -5.316 1.00 0.00 C ATOM 334 CG GLU A 46 -10.749 3.030 -6.011 1.00 0.00 C ATOM 335 CD GLU A 46 -11.572 2.938 -7.291 1.00 0.00 C ATOM 336 OE1 GLU A 46 -11.101 2.249 -8.221 1.00 0.00 O ATOM 337 OE2 GLU A 46 -12.664 3.547 -7.311 1.00 0.00 O ATOM 0 H GLU A 46 -8.284 2.447 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.444 2.419 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.143 0.957 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.640 1.273 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.207 3.750 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.751 3.402 -6.244 1.00 0.00 H new ATOM 338 N SER A 47 -8.816 -0.440 -3.865 1.00 0.00 N ATOM 339 CA SER A 47 -8.514 -1.739 -3.282 1.00 0.00 C ATOM 340 C SER A 47 -8.134 -1.568 -1.807 1.00 0.00 C ATOM 341 O SER A 47 -8.591 -2.313 -0.947 1.00 0.00 O ATOM 342 CB SER A 47 -7.358 -2.392 -4.048 1.00 0.00 C ATOM 343 OG SER A 47 -7.520 -2.245 -5.445 1.00 0.00 O ATOM 0 H SER A 47 -8.283 -0.230 -4.709 1.00 0.00 H new ATOM 0 HA SER A 47 -9.394 -2.379 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.414 -1.942 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.304 -3.451 -3.795 1.00 0.00 H new ATOM 0 HG SER A 47 -7.727 -3.116 -5.844 1.00 0.00 H new ATOM 344 N THR A 48 -7.300 -0.570 -1.511 1.00 0.00 N ATOM 345 CA THR A 48 -6.849 -0.301 -0.151 1.00 0.00 C ATOM 346 C THR A 48 -8.021 0.165 0.732 1.00 0.00 C ATOM 347 O THR A 48 -8.190 -0.305 1.858 1.00 0.00 O ATOM 348 CB THR A 48 -5.700 0.719 -0.197 1.00 0.00 C ATOM 349 OG1 THR A 48 -4.758 0.351 -1.190 1.00 0.00 O ATOM 350 CG2 THR A 48 -4.959 0.766 1.141 1.00 0.00 C ATOM 0 H THR A 48 -6.921 0.071 -2.208 1.00 0.00 H new ATOM 0 HA THR A 48 -6.471 -1.216 0.305 1.00 0.00 H new ATOM 0 HB THR A 48 -6.138 1.692 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.116 0.567 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.151 1.495 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.652 1.055 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.546 -0.218 1.363 1.00 0.00 H new ATOM 351 N LEU A 49 -8.848 1.087 0.230 1.00 0.00 N ATOM 352 CA LEU A 49 -9.997 1.614 0.953 1.00 0.00 C ATOM 353 C LEU A 49 -10.949 0.480 1.324 1.00 0.00 C ATOM 354 O LEU A 49 -11.360 0.387 2.480 1.00 0.00 O ATOM 355 CB LEU A 49 -10.732 2.655 0.090 1.00 0.00 C ATOM 356 CG LEU A 49 -10.046 4.030 0.068 1.00 0.00 C ATOM 357 CD1 LEU A 49 -10.604 4.871 -1.084 1.00 0.00 C ATOM 358 CD2 LEU A 49 -10.283 4.781 1.383 1.00 0.00 C ATOM 0 H LEU A 49 -8.733 1.489 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.647 2.095 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.808 2.280 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.749 2.772 0.464 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.976 3.870 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.114 5.845 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.419 4.361 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.677 5.006 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.787 5.751 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.353 4.926 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.877 4.201 2.212 1.00 0.00 H new ATOM 359 N ALA A 50 -11.287 -0.361 0.342 1.00 0.00 N ATOM 360 CA ALA A 50 -12.216 -1.474 0.492 1.00 0.00 C ATOM 361 C ALA A 50 -11.608 -2.656 1.252 1.00 0.00 C ATOM 362 O ALA A 50 -12.330 -3.377 1.936 1.00 0.00 O ATOM 363 CB ALA A 50 -12.660 -1.929 -0.901 1.00 0.00 C ATOM 0 H ALA A 50 -10.910 -0.280 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.065 -1.126 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.356 -2.762 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.151 -1.102 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.789 -2.247 -1.475 1.00 0.00 H new ATOM 364 N GLY A 51 -10.296 -2.864 1.132 1.00 0.00 N ATOM 365 CA GLY A 51 -9.588 -3.989 1.724 1.00 0.00 C ATOM 366 C GLY A 51 -9.379 -5.061 0.653 1.00 0.00 C ATOM 367 O GLY A 51 -10.014 -5.023 -0.401 1.00 0.00 O ATOM 0 H GLY A 51 -9.686 -2.237 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.628 -3.662 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.158 -4.396 2.559 1.00 0.00 H new ATOM 368 N LYS A 52 -8.484 -6.020 0.906 1.00 0.00 N ATOM 369 CA LYS A 52 -8.168 -7.070 -0.055 1.00 0.00 C ATOM 370 C LYS A 52 -7.555 -8.259 0.685 1.00 0.00 C ATOM 371 O LYS A 52 -6.463 -8.152 1.241 1.00 0.00 O ATOM 372 CB LYS A 52 -7.209 -6.526 -1.130 1.00 0.00 C ATOM 373 CG LYS A 52 -7.181 -7.429 -2.371 1.00 0.00 C ATOM 374 CD LYS A 52 -6.208 -6.869 -3.418 1.00 0.00 C ATOM 375 CE LYS A 52 -6.370 -7.553 -4.781 1.00 0.00 C ATOM 376 NZ LYS A 52 -6.121 -9.004 -4.712 1.00 0.00 N ATOM 0 H LYS A 52 -7.962 -6.087 1.780 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.077 -7.403 -0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.517 -5.521 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.204 -6.446 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.880 -8.438 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.181 -7.503 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.373 -5.797 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.184 -6.999 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.378 -7.377 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.681 -7.102 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.308 -9.433 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.130 -9.174 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.749 -9.431 -4.001 1.00 0.00 H new ATOM 377 N GLY A 53 -8.253 -9.397 0.701 1.00 0.00 N ATOM 378 CA GLY A 53 -7.772 -10.583 1.388 1.00 0.00 C ATOM 379 C GLY A 53 -7.539 -10.269 2.861 1.00 0.00 C ATOM 380 O GLY A 53 -8.472 -9.939 3.588 1.00 0.00 O ATOM 0 H GLY A 53 -9.156 -9.515 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.497 -11.391 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.846 -10.929 0.930 1.00 0.00 H new ATOM 381 N ALA A 54 -6.282 -10.361 3.290 1.00 0.00 N ATOM 382 CA ALA A 54 -5.888 -10.058 4.657 1.00 0.00 C ATOM 383 C ALA A 54 -5.907 -8.549 4.924 1.00 0.00 C ATOM 384 O ALA A 54 -6.061 -8.139 6.072 1.00 0.00 O ATOM 385 CB ALA A 54 -4.492 -10.627 4.925 1.00 0.00 C ATOM 0 H ALA A 54 -5.507 -10.650 2.693 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.607 -10.521 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.197 -10.400 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.506 -11.708 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.778 -10.179 4.234 1.00 0.00 H new ATOM 386 N MET A 55 -5.727 -7.713 3.894 1.00 0.00 N ATOM 387 CA MET A 55 -5.694 -6.271 4.072 1.00 0.00 C ATOM 388 C MET A 55 -7.078 -5.767 4.489 1.00 0.00 C ATOM 389 O MET A 55 -8.032 -5.957 3.731 1.00 0.00 O ATOM 390 CB MET A 55 -5.263 -5.591 2.772 1.00 0.00 C ATOM 391 CG MET A 55 -5.076 -4.088 2.985 1.00 0.00 C ATOM 392 SD MET A 55 -4.053 -3.297 1.729 1.00 0.00 S ATOM 393 CE MET A 55 -4.966 -3.624 0.202 1.00 0.00 C ATOM 0 H MET A 55 -5.602 -8.020 2.929 1.00 0.00 H new ATOM 0 HA MET A 55 -4.974 -6.027 4.853 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.332 -6.032 2.417 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.012 -5.764 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.054 -3.608 2.999 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.626 -3.922 3.964 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.655 -2.916 -0.566 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.759 -4.640 -0.135 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.035 -3.514 0.386 1.00 0.00 H new ATOM 394 N PRO A 56 -7.204 -5.110 5.653 1.00 0.00 N ATOM 395 CA PRO A 56 -8.475 -4.600 6.125 1.00 0.00 C ATOM 396 C PRO A 56 -8.877 -3.363 5.321 1.00 0.00 C ATOM 397 O PRO A 56 -8.041 -2.720 4.689 1.00 0.00 O ATOM 398 CB PRO A 56 -8.248 -4.266 7.602 1.00 0.00 C ATOM 399 CG PRO A 56 -6.771 -3.869 7.646 1.00 0.00 C ATOM 400 CD PRO A 56 -6.134 -4.761 6.578 1.00 0.00 C ATOM 0 HA PRO A 56 -9.286 -5.318 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.894 -3.454 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.455 -5.122 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.632 -2.811 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.336 -4.046 8.630 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.329 -4.238 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.699 -5.655 7.025 1.00 0.00 H new ATOM 401 N ALA A 57 -10.168 -3.026 5.346 1.00 0.00 N ATOM 402 CA ALA A 57 -10.673 -1.836 4.682 1.00 0.00 C ATOM 403 C ALA A 57 -10.074 -0.604 5.356 1.00 0.00 C ATOM 404 O ALA A 57 -10.259 -0.436 6.561 1.00 0.00 O ATOM 405 CB ALA A 57 -12.201 -1.812 4.795 1.00 0.00 C ATOM 0 H ALA A 57 -10.884 -3.571 5.826 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.394 -1.840 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.589 -0.922 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.615 -2.701 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.488 -1.796 5.846 1.00 0.00 H new ATOM 406 N TYR A 58 -9.376 0.261 4.614 1.00 0.00 N ATOM 407 CA TYR A 58 -8.789 1.462 5.199 1.00 0.00 C ATOM 408 C TYR A 58 -9.732 2.665 5.181 1.00 0.00 C ATOM 409 O TYR A 58 -9.401 3.669 5.811 1.00 0.00 O ATOM 410 CB TYR A 58 -7.469 1.806 4.501 1.00 0.00 C ATOM 411 CG TYR A 58 -6.283 1.154 5.174 1.00 0.00 C ATOM 412 CD1 TYR A 58 -5.696 1.792 6.284 1.00 0.00 C ATOM 413 CD2 TYR A 58 -5.904 -0.158 4.837 1.00 0.00 C ATOM 414 CE1 TYR A 58 -4.717 1.131 7.041 1.00 0.00 C ATOM 415 CE2 TYR A 58 -4.920 -0.816 5.594 1.00 0.00 C ATOM 416 CZ TYR A 58 -4.330 -0.172 6.693 1.00 0.00 C ATOM 417 OH TYR A 58 -3.374 -0.812 7.416 1.00 0.00 O ATOM 0 H TYR A 58 -9.206 0.150 3.614 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.598 1.234 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.516 1.486 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.333 2.887 4.496 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.000 2.793 6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.368 -0.658 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.263 1.623 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.617 -1.819 5.330 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.972 -0.186 8.054 1.00 0.00 H new ATOM 418 N ASP A 59 -10.874 2.595 4.485 1.00 0.00 N ATOM 419 CA ASP A 59 -11.818 3.709 4.370 1.00 0.00 C ATOM 420 C ASP A 59 -12.261 4.264 5.730 1.00 0.00 C ATOM 421 O ASP A 59 -13.243 3.797 6.310 1.00 0.00 O ATOM 422 CB ASP A 59 -13.035 3.252 3.563 1.00 0.00 C ATOM 423 CG ASP A 59 -14.027 4.386 3.317 1.00 0.00 C ATOM 424 OD1 ASP A 59 -13.569 5.549 3.263 1.00 0.00 O ATOM 425 OD2 ASP A 59 -15.225 4.066 3.170 1.00 0.00 O ATOM 0 H ASP A 59 -11.169 1.757 3.983 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.305 4.524 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.703 2.849 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.536 2.442 4.093 1.00 0.00 H new ATOM 426 N GLY A 60 -11.534 5.269 6.219 1.00 0.00 N ATOM 427 CA GLY A 60 -11.756 5.928 7.499 1.00 0.00 C ATOM 428 C GLY A 60 -10.508 5.821 8.376 1.00 0.00 C ATOM 429 O GLY A 60 -10.129 6.792 9.025 1.00 0.00 O ATOM 0 H GLY A 60 -10.742 5.660 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.006 6.977 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.606 5.473 8.007 1.00 0.00 H new ATOM 430 N ARG A 61 -9.862 4.648 8.403 1.00 0.00 N ATOM 431 CA ARG A 61 -8.592 4.460 9.105 1.00 0.00 C ATOM 432 C ARG A 61 -7.566 5.400 8.470 1.00 0.00 C ATOM 433 O ARG A 61 -6.735 5.985 9.160 1.00 0.00 O ATOM 434 CB ARG A 61 -8.122 3.000 9.005 1.00 0.00 C ATOM 435 CG ARG A 61 -8.618 2.102 10.148 1.00 0.00 C ATOM 436 CD ARG A 61 -10.144 2.024 10.252 1.00 0.00 C ATOM 437 NE ARG A 61 -10.738 1.488 9.018 1.00 0.00 N ATOM 438 CZ ARG A 61 -11.821 1.967 8.394 1.00 0.00 C ATOM 439 NH1 ARG A 61 -12.530 2.988 8.881 1.00 0.00 N ATOM 440 NH2 ARG A 61 -12.196 1.427 7.236 1.00 0.00 N ATOM 0 H ARG A 61 -10.206 3.807 7.940 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.712 4.688 10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.462 2.584 8.057 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.032 2.981 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.220 1.097 10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.217 2.474 11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.421 1.392 11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.548 3.017 10.451 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.283 0.677 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.252 3.430 9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.350 3.326 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.660 0.658 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.019 1.783 6.750 1.00 0.00 H new ATOM 441 N ALA A 62 -7.628 5.520 7.142 1.00 0.00 N ATOM 442 CA ALA A 62 -6.868 6.475 6.360 1.00 0.00 C ATOM 443 C ALA A 62 -7.830 7.064 5.335 1.00 0.00 C ATOM 444 O ALA A 62 -8.916 6.521 5.108 1.00 0.00 O ATOM 445 CB ALA A 62 -5.690 5.800 5.657 1.00 0.00 C ATOM 0 H ALA A 62 -8.232 4.931 6.569 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.450 7.250 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.139 6.541 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.029 5.355 6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.062 5.022 4.990 1.00 0.00 H new ATOM 446 N ASP A 63 -7.420 8.176 4.727 1.00 0.00 N ATOM 447 CA ASP A 63 -8.171 8.855 3.690 1.00 0.00 C ATOM 448 C ASP A 63 -7.472 8.642 2.352 1.00 0.00 C ATOM 449 O ASP A 63 -6.246 8.664 2.282 1.00 0.00 O ATOM 450 CB ASP A 63 -8.242 10.354 3.998 1.00 0.00 C ATOM 451 CG ASP A 63 -8.931 11.101 2.861 1.00 0.00 C ATOM 452 OD1 ASP A 63 -8.214 11.451 1.898 1.00 0.00 O ATOM 453 OD2 ASP A 63 -10.165 11.265 2.955 1.00 0.00 O ATOM 0 H ASP A 63 -6.537 8.634 4.951 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.183 8.452 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.786 10.515 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.237 10.749 4.144 1.00 0.00 H new ATOM 454 N ARG A 64 -8.268 8.437 1.304 1.00 0.00 N ATOM 455 CA ARG A 64 -7.876 8.330 -0.093 1.00 0.00 C ATOM 456 C ARG A 64 -6.614 9.135 -0.431 1.00 0.00 C ATOM 457 O ARG A 64 -5.696 8.588 -1.025 1.00 0.00 O ATOM 458 CB ARG A 64 -9.055 8.782 -0.971 1.00 0.00 C ATOM 459 CG ARG A 64 -8.751 8.510 -2.451 1.00 0.00 C ATOM 460 CD ARG A 64 -10.016 8.262 -3.283 1.00 0.00 C ATOM 461 NE ARG A 64 -9.697 7.528 -4.517 1.00 0.00 N ATOM 462 CZ ARG A 64 -9.221 8.061 -5.651 1.00 0.00 C ATOM 463 NH1 ARG A 64 -9.018 9.379 -5.750 1.00 0.00 N ATOM 464 NH2 ARG A 64 -8.941 7.271 -6.692 1.00 0.00 N ATOM 0 H ARG A 64 -9.276 8.334 1.422 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.626 7.288 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.961 8.253 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.243 9.845 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.209 9.359 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.095 7.643 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.738 7.696 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.485 9.214 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.852 6.520 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.226 9.988 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.655 9.775 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.090 6.264 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.579 7.675 -7.556 1.00 0.00 H new ATOM 465 N GLU A 65 -6.540 10.415 -0.069 1.00 0.00 N ATOM 466 CA GLU A 65 -5.371 11.237 -0.377 1.00 0.00 C ATOM 467 C GLU A 65 -4.120 10.731 0.361 1.00 0.00 C ATOM 468 O GLU A 65 -3.048 10.622 -0.235 1.00 0.00 O ATOM 469 CB GLU A 65 -5.674 12.706 -0.045 1.00 0.00 C ATOM 470 CG GLU A 65 -6.472 13.396 -1.165 1.00 0.00 C ATOM 471 CD GLU A 65 -7.770 12.678 -1.533 1.00 0.00 C ATOM 472 OE1 GLU A 65 -8.752 12.853 -0.781 1.00 0.00 O ATOM 473 OE2 GLU A 65 -7.758 11.967 -2.562 1.00 0.00 O ATOM 0 H GLU A 65 -7.277 10.905 0.438 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.155 11.161 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.237 12.759 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.739 13.242 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.707 14.415 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.844 13.469 -2.053 1.00 0.00 H new ATOM 474 N ASP A 66 -4.240 10.421 1.655 1.00 0.00 N ATOM 475 CA ASP A 66 -3.132 9.890 2.446 1.00 0.00 C ATOM 476 C ASP A 66 -2.668 8.577 1.831 1.00 0.00 C ATOM 477 O ASP A 66 -1.491 8.381 1.528 1.00 0.00 O ATOM 478 CB ASP A 66 -3.581 9.629 3.889 1.00 0.00 C ATOM 479 CG ASP A 66 -3.619 10.900 4.722 1.00 0.00 C ATOM 480 OD1 ASP A 66 -2.522 11.379 5.080 1.00 0.00 O ATOM 481 OD2 ASP A 66 -4.749 11.362 4.991 1.00 0.00 O ATOM 0 H ASP A 66 -5.107 10.532 2.181 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.321 10.618 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.571 9.173 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.903 8.913 4.354 1.00 0.00 H new ATOM 482 N LEU A 67 -3.627 7.665 1.671 1.00 0.00 N ATOM 483 CA LEU A 67 -3.457 6.384 1.060 1.00 0.00 C ATOM 484 C LEU A 67 -2.696 6.533 -0.253 1.00 0.00 C ATOM 485 O LEU A 67 -1.633 5.949 -0.410 1.00 0.00 O ATOM 486 CB LEU A 67 -4.862 5.839 0.835 1.00 0.00 C ATOM 487 CG LEU A 67 -5.599 5.360 2.088 1.00 0.00 C ATOM 488 CD1 LEU A 67 -6.958 4.779 1.700 1.00 0.00 C ATOM 489 CD2 LEU A 67 -4.792 4.273 2.782 1.00 0.00 C ATOM 0 H LEU A 67 -4.584 7.826 1.986 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.877 5.703 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.461 6.616 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.801 5.008 0.132 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.732 6.210 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.478 4.440 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.553 5.545 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.814 3.937 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.324 3.938 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.655 3.432 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.818 4.670 3.069 1.00 0.00 H new ATOM 490 N VAL A 68 -3.229 7.335 -1.174 1.00 0.00 N ATOM 491 CA VAL A 68 -2.622 7.627 -2.476 1.00 0.00 C ATOM 492 C VAL A 68 -1.126 7.890 -2.301 1.00 0.00 C ATOM 493 O VAL A 68 -0.307 7.221 -2.926 1.00 0.00 O ATOM 494 CB VAL A 68 -3.336 8.820 -3.147 1.00 0.00 C ATOM 495 CG1 VAL A 68 -2.478 9.574 -4.173 1.00 0.00 C ATOM 496 CG2 VAL A 68 -4.596 8.339 -3.868 1.00 0.00 C ATOM 0 H VAL A 68 -4.119 7.813 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.740 6.765 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.564 9.508 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.055 10.396 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.589 9.970 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.180 8.892 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.093 9.188 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.323 7.610 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.272 7.876 -3.149 1.00 0.00 H new ATOM 497 N LYS A 69 -0.760 8.843 -1.442 1.00 0.00 N ATOM 498 CA LYS A 69 0.650 9.145 -1.216 1.00 0.00 C ATOM 499 C LYS A 69 1.415 7.907 -0.718 1.00 0.00 C ATOM 500 O LYS A 69 2.523 7.641 -1.186 1.00 0.00 O ATOM 501 CB LYS A 69 0.793 10.317 -0.236 1.00 0.00 C ATOM 502 CG LYS A 69 0.212 11.644 -0.751 1.00 0.00 C ATOM 503 CD LYS A 69 0.918 12.152 -2.017 1.00 0.00 C ATOM 504 CE LYS A 69 0.447 13.556 -2.415 1.00 0.00 C ATOM 505 NZ LYS A 69 0.843 14.577 -1.428 1.00 0.00 N ATOM 0 H LYS A 69 -1.411 9.410 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 69 1.093 9.437 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.299 10.056 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.850 10.460 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.850 11.513 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.292 12.398 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.995 12.165 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.731 11.461 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.863 13.814 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.638 13.557 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.640 15.524 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.308 14.435 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.861 14.494 -1.232 1.00 0.00 H new ATOM 506 N ALA A 70 0.849 7.134 0.214 1.00 0.00 N ATOM 507 CA ALA A 70 1.512 5.940 0.731 1.00 0.00 C ATOM 508 C ALA A 70 1.771 4.960 -0.416 1.00 0.00 C ATOM 509 O ALA A 70 2.878 4.448 -0.566 1.00 0.00 O ATOM 510 CB ALA A 70 0.665 5.295 1.832 1.00 0.00 C ATOM 0 H ALA A 70 -0.067 7.317 0.624 1.00 0.00 H new ATOM 0 HA ALA A 70 2.470 6.219 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.172 4.406 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.526 6.005 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.307 5.014 1.426 1.00 0.00 H new ATOM 511 N ILE A 71 0.747 4.715 -1.234 1.00 0.00 N ATOM 512 CA ILE A 71 0.808 3.870 -2.406 1.00 0.00 C ATOM 513 C ILE A 71 1.876 4.399 -3.373 1.00 0.00 C ATOM 514 O ILE A 71 2.635 3.603 -3.920 1.00 0.00 O ATOM 515 CB ILE A 71 -0.598 3.787 -3.015 1.00 0.00 C ATOM 516 CG1 ILE A 71 -1.524 3.125 -1.978 1.00 0.00 C ATOM 517 CG2 ILE A 71 -0.571 2.961 -4.303 1.00 0.00 C ATOM 518 CD1 ILE A 71 -2.968 2.977 -2.452 1.00 0.00 C ATOM 0 H ILE A 71 -0.178 5.119 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 71 1.113 2.854 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.960 4.784 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.130 2.140 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.510 3.715 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.575 2.911 -4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.101 3.430 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.219 1.953 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.561 2.503 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.381 3.961 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.995 2.361 -3.351 1.00 0.00 H new ATOM 519 N GLU A 72 1.966 5.717 -3.593 1.00 0.00 N ATOM 520 CA GLU A 72 3.020 6.276 -4.436 1.00 0.00 C ATOM 521 C GLU A 72 4.380 5.859 -3.876 1.00 0.00 C ATOM 522 O GLU A 72 5.206 5.321 -4.610 1.00 0.00 O ATOM 523 CB GLU A 72 2.941 7.807 -4.503 1.00 0.00 C ATOM 524 CG GLU A 72 1.738 8.296 -5.314 1.00 0.00 C ATOM 525 CD GLU A 72 1.501 9.797 -5.153 1.00 0.00 C ATOM 526 OE1 GLU A 72 2.434 10.489 -4.692 1.00 0.00 O ATOM 527 OE2 GLU A 72 0.377 10.228 -5.490 1.00 0.00 O ATOM 0 H GLU A 72 1.326 6.407 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 72 2.889 5.891 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.881 8.209 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.857 8.196 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.896 8.066 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.846 7.754 -5.000 1.00 0.00 H new ATOM 528 N TYR A 73 4.615 6.106 -2.582 1.00 0.00 N ATOM 529 CA TYR A 73 5.878 5.736 -1.946 1.00 0.00 C ATOM 530 C TYR A 73 6.165 4.246 -2.165 1.00 0.00 C ATOM 531 O TYR A 73 7.228 3.893 -2.669 1.00 0.00 O ATOM 532 CB TYR A 73 5.853 6.090 -0.456 1.00 0.00 C ATOM 533 CG TYR A 73 7.064 5.583 0.300 1.00 0.00 C ATOM 534 CD1 TYR A 73 8.299 6.241 0.160 1.00 0.00 C ATOM 535 CD2 TYR A 73 6.988 4.388 1.042 1.00 0.00 C ATOM 536 CE1 TYR A 73 9.447 5.729 0.790 1.00 0.00 C ATOM 537 CE2 TYR A 73 8.136 3.878 1.670 1.00 0.00 C ATOM 538 CZ TYR A 73 9.364 4.547 1.546 1.00 0.00 C ATOM 539 OH TYR A 73 10.470 4.045 2.163 1.00 0.00 O ATOM 0 H TYR A 73 3.947 6.560 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 73 6.686 6.304 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.793 7.173 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.952 5.674 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.366 7.141 -0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.047 3.864 1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.392 6.243 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.074 2.969 2.250 1.00 0.00 H new ATOM 0 HH TYR A 73 10.233 3.224 2.643 1.00 0.00 H new ATOM 540 N MET A 74 5.213 3.384 -1.800 1.00 0.00 N ATOM 541 CA MET A 74 5.247 1.948 -1.978 1.00 0.00 C ATOM 542 C MET A 74 5.685 1.604 -3.411 1.00 0.00 C ATOM 543 O MET A 74 6.672 0.895 -3.602 1.00 0.00 O ATOM 544 CB MET A 74 3.844 1.466 -1.593 1.00 0.00 C ATOM 545 CG MET A 74 3.388 0.104 -2.096 1.00 0.00 C ATOM 546 SD MET A 74 1.745 -0.329 -1.475 1.00 0.00 S ATOM 547 CE MET A 74 2.180 -0.909 0.171 1.00 0.00 C ATOM 0 H MET A 74 4.354 3.697 -1.348 1.00 0.00 H new ATOM 0 HA MET A 74 5.980 1.439 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.782 1.457 -0.505 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.128 2.208 -1.947 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.375 0.105 -3.186 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.105 -0.656 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.312 -1.381 0.632 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.991 -1.633 0.099 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.500 -0.065 0.781 1.00 0.00 H new ATOM 548 N LEU A 75 4.983 2.115 -4.428 1.00 0.00 N ATOM 549 CA LEU A 75 5.333 1.912 -5.821 1.00 0.00 C ATOM 550 C LEU A 75 6.713 2.475 -6.164 1.00 0.00 C ATOM 551 O LEU A 75 7.417 1.879 -6.980 1.00 0.00 O ATOM 552 CB LEU A 75 4.246 2.531 -6.709 1.00 0.00 C ATOM 553 CG LEU A 75 3.202 1.469 -7.070 1.00 0.00 C ATOM 554 CD1 LEU A 75 2.551 0.770 -5.876 1.00 0.00 C ATOM 555 CD2 LEU A 75 2.135 2.053 -7.999 1.00 0.00 C ATOM 0 H LEU A 75 4.148 2.686 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 75 5.389 0.839 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.768 3.361 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.693 2.938 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 75 3.760 0.689 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.828 0.037 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.317 0.266 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.043 1.508 -5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.404 1.282 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.635 2.884 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.606 2.409 -8.915 1.00 0.00 H new ATOM 556 N SER A 76 7.143 3.573 -5.536 1.00 0.00 N ATOM 557 CA SER A 76 8.446 4.186 -5.789 1.00 0.00 C ATOM 558 C SER A 76 9.600 3.386 -5.164 1.00 0.00 C ATOM 559 O SER A 76 10.511 3.966 -4.574 1.00 0.00 O ATOM 560 CB SER A 76 8.447 5.630 -5.273 1.00 0.00 C ATOM 561 OG SER A 76 7.397 6.364 -5.871 1.00 0.00 O ATOM 0 H SER A 76 6.591 4.064 -4.833 1.00 0.00 H new ATOM 0 HA SER A 76 8.610 4.184 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.333 5.636 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.404 6.103 -5.496 1.00 0.00 H new ATOM 0 HG SER A 76 6.540 6.074 -5.495 1.00 0.00 H new ATOM 562 N THR A 77 9.562 2.061 -5.299 1.00 0.00 N ATOM 563 CA THR A 77 10.601 1.129 -4.902 1.00 0.00 C ATOM 564 C THR A 77 10.815 0.086 -6.008 1.00 0.00 C ATOM 565 O THR A 77 11.829 -0.608 -5.974 1.00 0.00 O ATOM 566 CB THR A 77 10.260 0.452 -3.565 1.00 0.00 C ATOM 567 OG1 THR A 77 9.108 -0.366 -3.672 1.00 0.00 O ATOM 568 CG2 THR A 77 10.037 1.483 -2.454 1.00 0.00 C ATOM 0 H THR A 77 8.758 1.589 -5.712 1.00 0.00 H new ATOM 0 HA THR A 77 11.528 1.684 -4.758 1.00 0.00 H new ATOM 0 HB THR A 77 11.117 -0.171 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.314 0.199 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.798 0.969 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.943 2.075 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.212 2.140 -2.728 1.00 0.00 H new ATOM 569 N LEU A 78 9.869 -0.067 -6.950 1.00 0.00 N ATOM 570 CA LEU A 78 10.019 -1.014 -8.045 1.00 0.00 C ATOM 571 C LEU A 78 10.758 -0.344 -9.204 1.00 0.00 C ATOM 572 O LEU A 78 10.726 0.906 -9.263 1.00 0.00 O ATOM 573 CB LEU A 78 8.648 -1.520 -8.519 1.00 0.00 C ATOM 574 CG LEU A 78 7.770 -2.214 -7.459 1.00 0.00 C ATOM 575 CD1 LEU A 78 8.575 -2.945 -6.385 1.00 0.00 C ATOM 576 CD2 LEU A 78 6.813 -1.247 -6.769 1.00 0.00 C ATOM 577 OXT LEU A 78 11.320 -1.103 -10.023 1.00 0.00 O ATOM 0 H LEU A 78 8.995 0.458 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 78 10.595 -1.869 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.092 -0.674 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.807 -2.218 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 78 7.200 -2.950 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.893 -3.410 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.191 -3.713 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.215 -2.234 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.218 -1.787 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.384 -0.464 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.152 -0.798 -7.510 1.00 0.00 H new TER 578 LEU A 78 HETATM 579 FE HEM A 0 -1.741 -3.733 1.764 1.00 0.00 FE HETATM 580 CHA HEM A 0 -2.186 -5.411 -1.192 1.00 0.00 C HETATM 581 CHB HEM A 0 -1.429 -0.789 0.053 1.00 0.00 C HETATM 582 CHC HEM A 0 -1.744 -2.050 4.724 1.00 0.00 C HETATM 583 CHD HEM A 0 -1.809 -6.737 3.454 1.00 0.00 C HETATM 584 NA HEM A 0 -1.761 -3.214 -0.169 1.00 0.00 N HETATM 585 C1A HEM A 0 -1.994 -4.037 -1.255 1.00 0.00 C HETATM 586 C2A HEM A 0 -2.048 -3.261 -2.471 1.00 0.00 C HETATM 587 C3A HEM A 0 -1.782 -1.976 -2.128 1.00 0.00 C HETATM 588 C4A HEM A 0 -1.624 -1.944 -0.694 1.00 0.00 C HETATM 589 CMA HEM A 0 -1.731 -0.766 -3.015 1.00 0.00 C HETATM 590 CAA HEM A 0 -2.415 -3.810 -3.827 1.00 0.00 C HETATM 591 CBA HEM A 0 -3.931 -3.808 -4.048 1.00 0.00 C HETATM 592 CGA HEM A 0 -4.343 -4.318 -5.423 1.00 0.00 C HETATM 593 O1A HEM A 0 -5.266 -3.745 -5.997 1.00 0.00 O HETATM 594 O2A HEM A 0 -3.739 -5.279 -5.894 1.00 0.00 O HETATM 595 NB HEM A 0 -1.538 -1.812 2.290 1.00 0.00 N HETATM 596 C1B HEM A 0 -1.384 -0.732 1.441 1.00 0.00 C HETATM 597 C2B HEM A 0 -1.207 0.480 2.199 1.00 0.00 C HETATM 598 C3B HEM A 0 -1.360 0.153 3.512 1.00 0.00 C HETATM 599 C4B HEM A 0 -1.568 -1.287 3.568 1.00 0.00 C HETATM 600 CMB HEM A 0 -0.932 1.827 1.578 1.00 0.00 C HETATM 601 CAB HEM A 0 -1.332 1.092 4.695 1.00 0.00 C HETATM 602 CBB HEM A 0 -2.504 2.081 4.653 1.00 0.00 C HETATM 603 NC HEM A 0 -1.767 -4.286 3.699 1.00 0.00 N HETATM 604 C1C HEM A 0 -1.804 -3.440 4.788 1.00 0.00 C HETATM 605 C2C HEM A 0 -1.844 -4.206 6.016 1.00 0.00 C HETATM 606 C3C HEM A 0 -1.720 -5.516 5.673 1.00 0.00 C HETATM 607 C4C HEM A 0 -1.753 -5.571 4.219 1.00 0.00 C HETATM 608 CMC HEM A 0 -1.944 -3.607 7.396 1.00 0.00 C HETATM 609 CAC HEM A 0 -1.565 -6.701 6.602 1.00 0.00 C HETATM 610 CBC HEM A 0 -2.835 -7.038 7.390 1.00 0.00 C HETATM 611 ND HEM A 0 -1.925 -5.684 1.234 1.00 0.00 N HETATM 612 C1D HEM A 0 -1.907 -6.790 2.065 1.00 0.00 C HETATM 613 C2D HEM A 0 -2.103 -8.002 1.291 1.00 0.00 C HETATM 614 C3D HEM A 0 -2.335 -7.620 0.009 1.00 0.00 C HETATM 615 C4D HEM A 0 -2.160 -6.182 -0.035 1.00 0.00 C HETATM 616 CMD HEM A 0 -2.079 -9.406 1.836 1.00 0.00 C HETATM 617 CAD HEM A 0 -2.668 -8.496 -1.177 1.00 0.00 C HETATM 618 CBD HEM A 0 -3.859 -9.440 -0.991 1.00 0.00 C HETATM 619 CGD HEM A 0 -4.328 -10.028 -2.316 1.00 0.00 C HETATM 620 O1D HEM A 0 -3.665 -9.809 -3.330 1.00 0.00 O HETATM 621 O2D HEM A 0 -5.377 -10.667 -2.321 1.00 0.00 O HETATM 0 HMA1 HEM A 0 -1.350 -1.050 -3.996 1.00 0.00 H new HETATM 0 HMA2 HEM A 0 -1.073 -0.018 -2.573 1.00 0.00 H new HETATM 0 HMA3 HEM A 0 -2.733 -0.350 -3.121 1.00 0.00 H new HETATM 0 HMB1 HEM A 0 -1.348 2.611 2.211 1.00 0.00 H new HETATM 0 HMB2 HEM A 0 -1.394 1.874 0.592 1.00 0.00 H new HETATM 0 HMB3 HEM A 0 0.144 1.971 1.482 1.00 0.00 H new HETATM 0 HMC1 HEM A 0 -1.466 -2.627 7.403 1.00 0.00 H new HETATM 0 HMC2 HEM A 0 -1.445 -4.259 8.113 1.00 0.00 H new HETATM 0 HMC3 HEM A 0 -2.993 -3.501 7.672 1.00 0.00 H new HETATM 0 HMD1 HEM A 0 -1.410 -9.451 2.695 1.00 0.00 H new HETATM 0 HMD2 HEM A 0 -1.726 -10.090 1.064 1.00 0.00 H new HETATM 0 HMD3 HEM A 0 -3.084 -9.694 2.144 1.00 0.00 H new HETATM 0 HBB1 HEM A 0 -2.619 2.824 5.442 1.00 0.00 H new HETATM 0 HBB2 HEM A 0 -3.222 2.041 3.834 1.00 0.00 H new HETATM 0 HBC1 HEM A 0 -2.837 -7.874 8.090 1.00 0.00 H new HETATM 0 HBC2 HEM A 0 -3.737 -6.442 7.251 1.00 0.00 H new HETATM 0 HBA1 HEM A 0 -4.308 -2.794 -3.917 1.00 0.00 H new HETATM 0 HBA2 HEM A 0 -4.403 -4.425 -3.283 1.00 0.00 H new HETATM 0 HAA1 HEM A 0 -2.035 -4.827 -3.923 1.00 0.00 H new HETATM 0 HAA2 HEM A 0 -1.933 -3.215 -4.603 1.00 0.00 H new HETATM 0 HBD1 HEM A 0 -4.681 -8.900 -0.522 1.00 0.00 H new HETATM 0 HBD2 HEM A 0 -3.580 -10.247 -0.314 1.00 0.00 H new HETATM 0 HAD1 HEM A 0 -1.790 -9.093 -1.423 1.00 0.00 H new HETATM 0 HAD2 HEM A 0 -2.867 -7.854 -2.035 1.00 0.00 H new HETATM 0 HHA HEM A 0 -2.372 -5.926 -2.123 1.00 0.00 H new HETATM 0 HHB HEM A 0 -1.302 0.138 -0.487 1.00 0.00 H new HETATM 0 HHC HEM A 0 -1.843 -1.512 5.655 1.00 0.00 H new HETATM 0 HHD HEM A 0 -1.773 -7.678 3.983 1.00 0.00 H new HETATM 0 HAB HEM A 0 -0.575 1.070 5.479 1.00 0.00 H new HETATM 0 HAC HEM A 0 -0.636 -7.262 6.701 1.00 0.00 H new