USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 852 hydrogens (5 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 10 CSP H2 : A 10 CSP N : A 9 PHE C :(H bumps) USER MOD NoAdj-H: A 10 CSP H : A 10 CSP N : A 9 PHE C :(H bumps) USER MOD Set 1.1: A 59 GLN : amide:sc= 0.356 K(o=0.72,f=-3.5!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0.361 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.351 K(o=0.72,f=-0.065) USER MOD Set 2.2: A 7 TYR OH : rot 64:sc= 0.373 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.0022) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.206 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 17 SER OG : rot -89:sc= 0.686 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc=-0.00108 (180deg=-0.118) USER MOD Single : A 23 MET CE :methyl -109:sc= -0.138 (180deg=-1.08) USER MOD Single : A 26 GLN : amide:sc= -0.581 K(o=-0.58,f=-3.3!) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.017 (180deg=-0.177) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0282 (180deg=-0.361) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -122:sc= -0.119 (180deg=-2.07!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.833 15.400 9.754 1.00 0.00 N ATOM 2 CA MET A 1 -8.872 16.379 9.224 1.00 0.00 C ATOM 3 C MET A 1 -7.448 15.875 9.467 1.00 0.00 C ATOM 4 O MET A 1 -7.302 15.057 10.373 1.00 0.00 O ATOM 5 CB MET A 1 -9.102 17.693 9.973 1.00 0.00 C ATOM 6 CG MET A 1 -8.345 18.840 9.299 1.00 0.00 C ATOM 7 SD MET A 1 -8.444 20.418 10.220 1.00 0.00 S ATOM 8 CE MET A 1 -10.121 20.908 9.879 1.00 0.00 C ATOM 0 H1 MET A 1 -10.314 14.923 8.965 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.329 14.695 10.329 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.537 15.888 10.344 1.00 0.00 H new ATOM 0 HA MET A 1 -9.007 16.524 8.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.168 17.920 10.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.772 17.591 11.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.298 18.558 9.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.744 18.988 8.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.326 21.864 10.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.260 21.006 8.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.806 20.154 10.266 1.00 0.00 H new ATOM 20 N GLU A 2 -6.599 16.091 8.467 1.00 0.00 N ATOM 21 CA GLU A 2 -5.145 15.866 8.489 1.00 0.00 C ATOM 22 C GLU A 2 -4.776 14.398 8.715 1.00 0.00 C ATOM 23 O GLU A 2 -4.663 13.910 9.838 1.00 0.00 O ATOM 24 CB GLU A 2 -4.520 16.818 9.510 1.00 0.00 C ATOM 25 CG GLU A 2 -2.992 16.874 9.465 1.00 0.00 C ATOM 26 CD GLU A 2 -2.492 17.977 10.400 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.307 17.662 11.595 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.335 19.107 9.888 1.00 0.00 O ATOM 0 H GLU A 2 -6.918 16.448 7.566 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.730 16.092 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.914 17.821 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.832 16.515 10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.574 15.913 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.655 17.066 8.446 1.00 0.00 H new ATOM 35 N LYS A 3 -4.904 13.646 7.626 1.00 0.00 N ATOM 36 CA LYS A 3 -4.517 12.228 7.588 1.00 0.00 C ATOM 37 C LYS A 3 -3.755 11.921 6.296 1.00 0.00 C ATOM 38 O LYS A 3 -3.968 12.591 5.287 1.00 0.00 O ATOM 39 CB LYS A 3 -5.737 11.306 7.615 1.00 0.00 C ATOM 40 CG LYS A 3 -6.481 11.318 8.952 1.00 0.00 C ATOM 41 CD LYS A 3 -7.218 9.991 9.139 1.00 0.00 C ATOM 42 CE LYS A 3 -8.092 9.963 10.395 1.00 0.00 C ATOM 43 NZ LYS A 3 -9.337 10.705 10.149 1.00 0.00 N ATOM 0 H LYS A 3 -5.277 13.996 6.744 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.898 12.051 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.424 11.603 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.418 10.287 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.778 11.474 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.189 12.146 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.842 9.802 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.490 9.182 9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.319 8.933 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.554 10.404 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.928 10.684 11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.112 11.691 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.853 10.265 9.360 1.00 0.00 H new ATOM 57 N LYS A 4 -2.941 10.873 6.373 1.00 0.00 N ATOM 58 CA LYS A 4 -2.224 10.343 5.203 1.00 0.00 C ATOM 59 C LYS A 4 -2.918 9.100 4.642 1.00 0.00 C ATOM 60 O LYS A 4 -3.428 8.263 5.384 1.00 0.00 O ATOM 61 CB LYS A 4 -0.770 9.994 5.524 1.00 0.00 C ATOM 62 CG LYS A 4 0.209 11.170 5.515 1.00 0.00 C ATOM 63 CD LYS A 4 0.083 12.078 6.739 1.00 0.00 C ATOM 64 CE LYS A 4 1.261 13.044 6.875 1.00 0.00 C ATOM 65 NZ LYS A 4 1.240 14.078 5.830 1.00 0.00 N ATOM 0 H LYS A 4 -2.756 10.366 7.238 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.235 11.138 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.736 9.524 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.426 9.252 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.227 10.784 5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.045 11.762 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.844 12.648 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.015 11.464 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.232 13.518 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.196 12.487 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.053 14.714 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.293 13.627 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.359 14.625 5.901 1.00 0.00 H new ATOM 79 N HIS A 5 -2.952 9.038 3.313 1.00 0.00 N ATOM 80 CA HIS A 5 -3.612 7.974 2.544 1.00 0.00 C ATOM 81 C HIS A 5 -2.606 6.967 1.985 1.00 0.00 C ATOM 82 O HIS A 5 -1.721 7.289 1.194 1.00 0.00 O ATOM 83 CB HIS A 5 -4.470 8.569 1.425 1.00 0.00 C ATOM 84 CG HIS A 5 -5.759 9.209 1.944 1.00 0.00 C ATOM 85 ND1 HIS A 5 -6.987 8.730 1.757 1.00 0.00 N ATOM 86 CD2 HIS A 5 -5.875 10.461 2.538 1.00 0.00 C ATOM 87 CE1 HIS A 5 -7.806 9.686 2.186 1.00 0.00 C ATOM 88 NE2 HIS A 5 -7.167 10.742 2.679 1.00 0.00 N ATOM 0 H HIS A 5 -2.511 9.742 2.721 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.264 7.432 3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.889 9.318 0.887 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.721 7.786 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.054 11.097 2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.882 9.612 2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.579 11.585 3.079 1.00 0.00 H new ATOM 96 N ILE A 6 -2.726 5.754 2.517 1.00 0.00 N ATOM 97 CA ILE A 6 -1.880 4.598 2.184 1.00 0.00 C ATOM 98 C ILE A 6 -2.784 3.573 1.497 1.00 0.00 C ATOM 99 O ILE A 6 -3.617 2.916 2.121 1.00 0.00 O ATOM 100 CB ILE A 6 -1.221 4.032 3.443 1.00 0.00 C ATOM 101 CG1 ILE A 6 -0.403 5.106 4.165 1.00 0.00 C ATOM 102 CG2 ILE A 6 -0.345 2.826 3.096 1.00 0.00 C ATOM 103 CD1 ILE A 6 -0.012 4.751 5.601 1.00 0.00 C ATOM 0 H ILE A 6 -3.436 5.535 3.215 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.064 4.880 1.518 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.010 3.701 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.504 5.299 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.976 6.033 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.115 2.437 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.959 2.050 2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.434 3.131 2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.565 5.569 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.912 4.588 6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.591 3.843 5.600 1.00 0.00 H new ATOM 115 N TYR A 7 -2.602 3.461 0.185 1.00 0.00 N ATOM 116 CA TYR A 7 -3.411 2.547 -0.635 1.00 0.00 C ATOM 117 C TYR A 7 -2.586 1.395 -1.211 1.00 0.00 C ATOM 118 O TYR A 7 -1.552 1.574 -1.854 1.00 0.00 O ATOM 119 CB TYR A 7 -4.143 3.277 -1.762 1.00 0.00 C ATOM 120 CG TYR A 7 -5.115 4.393 -1.374 1.00 0.00 C ATOM 121 CD1 TYR A 7 -5.812 4.418 -0.171 1.00 0.00 C ATOM 122 CD2 TYR A 7 -5.341 5.348 -2.358 1.00 0.00 C ATOM 123 CE1 TYR A 7 -6.748 5.420 0.057 1.00 0.00 C ATOM 124 CE2 TYR A 7 -6.273 6.355 -2.137 1.00 0.00 C ATOM 125 CZ TYR A 7 -6.976 6.365 -0.937 1.00 0.00 C ATOM 126 OH TYR A 7 -8.017 7.235 -0.834 1.00 0.00 O ATOM 0 H TYR A 7 -1.904 3.989 -0.339 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.155 2.126 0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.393 3.703 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.697 2.535 -2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.627 3.665 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.795 5.308 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.289 5.464 0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.448 7.116 -2.883 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.883 7.815 -0.055 1.00 0.00 H new ATOM 136 N LEU A 8 -3.086 0.197 -0.918 1.00 0.00 N ATOM 137 CA LEU A 8 -2.493 -1.084 -1.330 1.00 0.00 C ATOM 138 C LEU A 8 -3.209 -1.626 -2.569 1.00 0.00 C ATOM 139 O LEU A 8 -4.424 -1.504 -2.707 1.00 0.00 O ATOM 140 CB LEU A 8 -2.557 -2.113 -0.199 1.00 0.00 C ATOM 141 CG LEU A 8 -1.521 -1.885 0.904 1.00 0.00 C ATOM 142 CD1 LEU A 8 -1.934 -0.755 1.851 1.00 0.00 C ATOM 143 CD2 LEU A 8 -1.315 -3.170 1.707 1.00 0.00 C ATOM 0 H LEU A 8 -3.940 0.081 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.445 -0.906 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.554 -2.093 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.414 -3.109 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.589 -1.597 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.171 -0.626 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.041 0.172 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.885 -1.005 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.576 -2.996 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.259 -3.471 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.963 -3.961 1.044 1.00 0.00 H new ATOM 155 N PHE A 9 -2.392 -2.176 -3.465 1.00 0.00 N ATOM 156 CA PHE A 9 -2.851 -2.662 -4.774 1.00 0.00 C ATOM 157 C PHE A 9 -2.287 -4.034 -5.148 1.00 0.00 C ATOM 158 O PHE A 9 -1.110 -4.339 -4.959 1.00 0.00 O ATOM 159 CB PHE A 9 -2.491 -1.671 -5.882 1.00 0.00 C ATOM 160 CG PHE A 9 -3.297 -0.371 -5.819 1.00 0.00 C ATOM 161 CD1 PHE A 9 -4.490 -0.262 -6.523 1.00 0.00 C ATOM 162 CD2 PHE A 9 -2.788 0.717 -5.121 1.00 0.00 C ATOM 163 CE1 PHE A 9 -5.174 0.948 -6.537 1.00 0.00 C ATOM 164 CE2 PHE A 9 -3.464 1.931 -5.139 1.00 0.00 C ATOM 165 CZ PHE A 9 -4.657 2.038 -5.846 1.00 0.00 C ATOM 0 H PHE A 9 -1.392 -2.299 -3.308 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.933 -2.759 -4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.429 -1.435 -5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.654 -2.145 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.884 -1.114 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.867 0.619 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.102 1.041 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.067 2.784 -4.609 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.188 2.979 -5.858 1.00 0.00 H new HETATM 175 N CSP A 10 -3.222 -4.853 -5.619 1.00 0.00 N HETATM 176 CA CSP A 10 -2.987 -6.160 -6.247 1.00 0.00 C HETATM 177 CB CSP A 10 -2.807 -7.289 -5.231 1.00 0.00 C HETATM 178 SG CSP A 10 -4.304 -7.789 -4.304 1.00 0.00 S HETATM 179 C CSP A 10 -4.143 -6.455 -7.206 1.00 0.00 C HETATM 180 O CSP A 10 -5.222 -5.883 -7.055 1.00 0.00 O HETATM 181 P CSP A 10 -4.401 -9.883 -4.743 1.00 0.00 P HETATM 182 O1P CSP A 10 -3.451 -10.600 -3.863 1.00 0.00 O HETATM 183 O2P CSP A 10 -4.413 -10.058 -6.212 1.00 0.00 O HETATM 184 O3P CSP A 10 -5.896 -10.163 -4.216 1.00 0.00 O HETATM 0 HB3 CSP A 10 -2.421 -8.163 -5.755 1.00 0.00 H new HETATM 0 HB2 CSP A 10 -2.045 -6.985 -4.513 1.00 0.00 H new HETATM 0 HA CSP A 10 -2.046 -6.111 -6.796 1.00 0.00 H new ATOM 190 N SER A 11 -3.927 -7.398 -8.119 1.00 0.00 N ATOM 191 CA SER A 11 -4.824 -7.678 -9.249 1.00 0.00 C ATOM 192 C SER A 11 -6.312 -7.785 -8.904 1.00 0.00 C ATOM 193 O SER A 11 -7.166 -7.156 -9.527 1.00 0.00 O ATOM 194 CB SER A 11 -4.386 -8.967 -9.946 1.00 0.00 C ATOM 195 OG SER A 11 -3.067 -8.847 -10.486 1.00 0.00 O ATOM 0 H SER A 11 -3.107 -8.005 -8.098 1.00 0.00 H new ATOM 0 HA SER A 11 -4.733 -6.807 -9.898 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.416 -9.794 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.087 -9.207 -10.745 1.00 0.00 H new ATOM 0 HG SER A 11 -2.815 -9.687 -10.923 1.00 0.00 H new ATOM 201 N ALA A 12 -6.618 -8.529 -7.845 1.00 0.00 N ATOM 202 CA ALA A 12 -8.000 -8.709 -7.380 1.00 0.00 C ATOM 203 C ALA A 12 -8.392 -7.820 -6.197 1.00 0.00 C ATOM 204 O ALA A 12 -9.564 -7.479 -6.049 1.00 0.00 O ATOM 205 CB ALA A 12 -8.212 -10.187 -7.046 1.00 0.00 C ATOM 0 H ALA A 12 -5.924 -9.023 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.656 -8.393 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.234 -10.339 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.038 -10.790 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.515 -10.487 -6.264 1.00 0.00 H new ATOM 211 N GLY A 13 -7.412 -7.494 -5.359 1.00 0.00 N ATOM 212 CA GLY A 13 -7.587 -6.647 -4.171 1.00 0.00 C ATOM 213 C GLY A 13 -8.221 -7.368 -2.979 1.00 0.00 C ATOM 214 O GLY A 13 -8.849 -6.731 -2.134 1.00 0.00 O ATOM 0 H GLY A 13 -6.452 -7.815 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.615 -6.256 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.207 -5.791 -4.436 1.00 0.00 H new ATOM 218 N MET A 14 -7.951 -8.665 -2.858 1.00 0.00 N ATOM 219 CA MET A 14 -8.546 -9.492 -1.798 1.00 0.00 C ATOM 220 C MET A 14 -7.558 -10.032 -0.762 1.00 0.00 C ATOM 221 O MET A 14 -7.867 -9.992 0.428 1.00 0.00 O ATOM 222 CB MET A 14 -9.403 -10.628 -2.362 1.00 0.00 C ATOM 223 CG MET A 14 -8.623 -11.666 -3.172 1.00 0.00 C ATOM 224 SD MET A 14 -9.613 -13.158 -3.551 1.00 0.00 S ATOM 225 CE MET A 14 -8.315 -14.289 -4.004 1.00 0.00 C ATOM 0 H MET A 14 -7.322 -9.173 -3.481 1.00 0.00 H new ATOM 0 HA MET A 14 -9.188 -8.795 -1.259 1.00 0.00 H new ATOM 0 HB2 MET A 14 -9.905 -11.132 -1.536 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.181 -10.200 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 14 -8.284 -11.214 -4.104 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.731 -11.958 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.748 -15.254 -4.266 1.00 0.00 H new ATOM 0 HE2 MET A 14 -7.769 -13.892 -4.860 1.00 0.00 H new ATOM 0 HE3 MET A 14 -7.632 -14.414 -3.164 1.00 0.00 H new ATOM 235 N SER A 15 -6.390 -10.514 -1.178 1.00 0.00 N ATOM 236 CA SER A 15 -5.396 -11.091 -0.262 1.00 0.00 C ATOM 237 C SER A 15 -4.733 -10.047 0.639 1.00 0.00 C ATOM 238 O SER A 15 -4.384 -10.316 1.787 1.00 0.00 O ATOM 239 CB SER A 15 -4.313 -11.839 -1.042 1.00 0.00 C ATOM 240 OG SER A 15 -4.928 -12.900 -1.778 1.00 0.00 O ATOM 0 H SER A 15 -6.101 -10.518 -2.156 1.00 0.00 H new ATOM 0 HA SER A 15 -5.944 -11.782 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.797 -11.159 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.563 -12.238 -0.359 1.00 0.00 H new ATOM 0 HG SER A 15 -4.244 -13.386 -2.284 1.00 0.00 H new ATOM 246 N THR A 16 -4.668 -8.816 0.140 1.00 0.00 N ATOM 247 CA THR A 16 -4.176 -7.637 0.867 1.00 0.00 C ATOM 248 C THR A 16 -5.041 -7.228 2.062 1.00 0.00 C ATOM 249 O THR A 16 -4.511 -6.660 3.015 1.00 0.00 O ATOM 250 CB THR A 16 -4.088 -6.440 -0.083 1.00 0.00 C ATOM 251 OG1 THR A 16 -5.285 -6.411 -0.864 1.00 0.00 O ATOM 252 CG2 THR A 16 -2.828 -6.491 -0.949 1.00 0.00 C ATOM 0 H THR A 16 -4.964 -8.599 -0.811 1.00 0.00 H new ATOM 0 HA THR A 16 -3.199 -7.924 1.255 1.00 0.00 H new ATOM 0 HB THR A 16 -4.005 -5.516 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.255 -5.650 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.804 -5.624 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.946 -6.484 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.835 -7.402 -1.548 1.00 0.00 H new ATOM 260 N SER A 17 -6.304 -7.642 2.101 1.00 0.00 N ATOM 261 CA SER A 17 -7.275 -7.184 3.106 1.00 0.00 C ATOM 262 C SER A 17 -6.911 -7.509 4.556 1.00 0.00 C ATOM 263 O SER A 17 -7.129 -6.689 5.446 1.00 0.00 O ATOM 264 CB SER A 17 -8.669 -7.746 2.817 1.00 0.00 C ATOM 265 OG SER A 17 -8.682 -9.154 3.070 1.00 0.00 O ATOM 0 H SER A 17 -6.691 -8.309 1.434 1.00 0.00 H new ATOM 0 HA SER A 17 -7.260 -6.098 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.410 -7.247 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.943 -7.550 1.780 1.00 0.00 H new ATOM 0 HG SER A 17 -8.423 -9.635 2.256 1.00 0.00 H new ATOM 271 N LEU A 18 -6.312 -8.675 4.782 1.00 0.00 N ATOM 272 CA LEU A 18 -5.860 -9.109 6.112 1.00 0.00 C ATOM 273 C LEU A 18 -4.675 -8.279 6.607 1.00 0.00 C ATOM 274 O LEU A 18 -4.666 -7.816 7.746 1.00 0.00 O ATOM 275 CB LEU A 18 -5.536 -10.605 6.122 1.00 0.00 C ATOM 276 CG LEU A 18 -4.954 -11.110 7.444 1.00 0.00 C ATOM 277 CD1 LEU A 18 -5.953 -11.050 8.600 1.00 0.00 C ATOM 278 CD2 LEU A 18 -4.447 -12.545 7.277 1.00 0.00 C ATOM 0 H LEU A 18 -6.123 -9.355 4.045 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.682 -8.940 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.445 -11.164 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.828 -10.818 5.321 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.130 -10.444 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.480 -11.421 9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.272 -10.019 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.820 -11.667 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.034 -12.897 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.273 -13.190 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.672 -12.570 6.511 1.00 0.00 H new ATOM 290 N LEU A 19 -3.729 -8.036 5.704 1.00 0.00 N ATOM 291 CA LEU A 19 -2.552 -7.197 5.974 1.00 0.00 C ATOM 292 C LEU A 19 -2.960 -5.752 6.272 1.00 0.00 C ATOM 293 O LEU A 19 -2.535 -5.195 7.283 1.00 0.00 O ATOM 294 CB LEU A 19 -1.616 -7.308 4.770 1.00 0.00 C ATOM 295 CG LEU A 19 -0.198 -6.830 5.088 1.00 0.00 C ATOM 296 CD1 LEU A 19 0.810 -7.618 4.249 1.00 0.00 C ATOM 297 CD2 LEU A 19 -0.029 -5.344 4.763 1.00 0.00 C ATOM 0 H LEU A 19 -3.752 -8.415 4.757 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.029 -7.543 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.581 -8.345 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.018 -6.720 3.945 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.025 -6.988 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.819 -7.276 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.726 -8.680 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.604 -7.461 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.989 -5.033 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.222 -5.179 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.734 -4.760 5.355 1.00 0.00 H new ATOM 309 N VAL A 20 -3.939 -5.255 5.521 1.00 0.00 N ATOM 310 CA VAL A 20 -4.548 -3.931 5.712 1.00 0.00 C ATOM 311 C VAL A 20 -5.208 -3.858 7.091 1.00 0.00 C ATOM 312 O VAL A 20 -5.029 -2.883 7.818 1.00 0.00 O ATOM 313 CB VAL A 20 -5.566 -3.661 4.603 1.00 0.00 C ATOM 314 CG1 VAL A 20 -6.393 -2.389 4.799 1.00 0.00 C ATOM 315 CG2 VAL A 20 -4.856 -3.504 3.256 1.00 0.00 C ATOM 0 H VAL A 20 -4.345 -5.771 4.741 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.775 -3.164 5.660 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.235 -4.521 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.088 -2.275 3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.952 -2.458 5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.729 -1.526 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.593 -3.312 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.157 -2.669 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.311 -4.419 3.023 1.00 0.00 H new ATOM 325 N SER A 21 -5.968 -4.896 7.430 1.00 0.00 N ATOM 326 CA SER A 21 -6.688 -4.984 8.709 1.00 0.00 C ATOM 327 C SER A 21 -5.749 -4.955 9.917 1.00 0.00 C ATOM 328 O SER A 21 -6.000 -4.261 10.901 1.00 0.00 O ATOM 329 CB SER A 21 -7.523 -6.265 8.740 1.00 0.00 C ATOM 330 OG SER A 21 -8.334 -6.290 9.917 1.00 0.00 O ATOM 0 H SER A 21 -6.106 -5.706 6.826 1.00 0.00 H new ATOM 0 HA SER A 21 -7.332 -4.107 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.153 -6.320 7.852 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.869 -7.136 8.720 1.00 0.00 H new ATOM 0 HG SER A 21 -8.867 -7.112 9.930 1.00 0.00 H new ATOM 336 N LYS A 22 -4.607 -5.624 9.779 1.00 0.00 N ATOM 337 CA LYS A 22 -3.565 -5.644 10.817 1.00 0.00 C ATOM 338 C LYS A 22 -2.902 -4.281 11.027 1.00 0.00 C ATOM 339 O LYS A 22 -2.885 -3.787 12.153 1.00 0.00 O ATOM 340 CB LYS A 22 -2.480 -6.682 10.522 1.00 0.00 C ATOM 341 CG LYS A 22 -2.977 -8.111 10.750 1.00 0.00 C ATOM 342 CD LYS A 22 -1.808 -9.098 10.739 1.00 0.00 C ATOM 343 CE LYS A 22 -2.252 -10.536 11.017 1.00 0.00 C ATOM 344 NZ LYS A 22 -2.737 -10.674 12.398 1.00 0.00 N ATOM 0 H LYS A 22 -4.373 -6.168 8.949 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.088 -5.916 11.734 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.146 -6.574 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.615 -6.493 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.501 -8.171 11.704 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.694 -8.380 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.310 -9.056 9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.075 -8.796 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.040 -10.819 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.418 -11.218 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.856 -11.682 12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.048 -10.251 13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.651 -10.187 12.495 1.00 0.00 H new ATOM 358 N MET A 23 -2.523 -3.639 9.925 1.00 0.00 N ATOM 359 CA MET A 23 -1.898 -2.311 9.998 1.00 0.00 C ATOM 360 C MET A 23 -2.875 -1.172 10.296 1.00 0.00 C ATOM 361 O MET A 23 -2.449 -0.116 10.762 1.00 0.00 O ATOM 362 CB MET A 23 -1.015 -1.970 8.796 1.00 0.00 C ATOM 363 CG MET A 23 -1.670 -2.125 7.422 1.00 0.00 C ATOM 364 SD MET A 23 -0.475 -2.049 6.038 1.00 0.00 S ATOM 365 CE MET A 23 -0.076 -0.318 5.923 1.00 0.00 C ATOM 0 H MET A 23 -2.633 -4.006 8.980 1.00 0.00 H new ATOM 0 HA MET A 23 -1.241 -2.397 10.863 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.674 -0.940 8.901 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.129 -2.604 8.829 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.199 -3.077 7.385 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.416 -1.341 7.292 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.520 0.099 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.469 0.205 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.006 -0.196 5.885 1.00 0.00 H new ATOM 375 N ARG A 24 -4.171 -1.429 10.145 1.00 0.00 N ATOM 376 CA ARG A 24 -5.234 -0.550 10.654 1.00 0.00 C ATOM 377 C ARG A 24 -5.354 -0.632 12.177 1.00 0.00 C ATOM 378 O ARG A 24 -5.289 0.393 12.854 1.00 0.00 O ATOM 379 CB ARG A 24 -6.618 -0.895 10.101 1.00 0.00 C ATOM 380 CG ARG A 24 -6.956 -0.266 8.748 1.00 0.00 C ATOM 381 CD ARG A 24 -8.457 -0.447 8.517 1.00 0.00 C ATOM 382 NE ARG A 24 -8.888 0.033 7.196 1.00 0.00 N ATOM 383 CZ ARG A 24 -9.494 -0.715 6.265 1.00 0.00 C ATOM 384 NH1 ARG A 24 -9.725 -2.023 6.442 1.00 0.00 N ATOM 385 NH2 ARG A 24 -9.994 -0.126 5.169 1.00 0.00 N ATOM 0 H ARG A 24 -4.522 -2.257 9.664 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.938 0.447 10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.695 -1.978 10.009 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.369 -0.583 10.826 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.692 0.792 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.386 -0.743 7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.711 -1.502 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.007 0.088 9.291 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.712 1.012 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.437 -2.479 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.189 -2.562 5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.911 0.884 5.050 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.457 -0.688 4.455 1.00 0.00 H new ATOM 399 N ALA A 25 -5.326 -1.859 12.690 1.00 0.00 N ATOM 400 CA ALA A 25 -5.416 -2.137 14.131 1.00 0.00 C ATOM 401 C ALA A 25 -4.181 -1.655 14.895 1.00 0.00 C ATOM 402 O ALA A 25 -4.240 -1.222 16.046 1.00 0.00 O ATOM 403 CB ALA A 25 -5.586 -3.649 14.286 1.00 0.00 C ATOM 0 H ALA A 25 -5.240 -2.699 12.118 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.262 -1.596 14.555 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.657 -3.901 15.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.495 -3.967 13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.727 -4.158 13.849 1.00 0.00 H new ATOM 409 N GLN A 26 -3.028 -1.799 14.249 1.00 0.00 N ATOM 410 CA GLN A 26 -1.733 -1.316 14.749 1.00 0.00 C ATOM 411 C GLN A 26 -1.600 0.203 14.623 1.00 0.00 C ATOM 412 O GLN A 26 -1.078 0.826 15.547 1.00 0.00 O ATOM 413 CB GLN A 26 -0.600 -2.033 14.012 1.00 0.00 C ATOM 414 CG GLN A 26 -0.518 -3.497 14.450 1.00 0.00 C ATOM 415 CD GLN A 26 0.169 -4.412 13.435 1.00 0.00 C ATOM 416 OE1 GLN A 26 -0.054 -4.364 12.227 1.00 0.00 O ATOM 417 NE2 GLN A 26 0.964 -5.360 13.923 1.00 0.00 N ATOM 0 H GLN A 26 -2.960 -2.264 13.344 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.670 -1.546 15.813 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.766 -1.978 12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.347 -1.533 14.214 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.020 -3.553 15.397 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.526 -3.868 14.634 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.151 -5.403 14.925 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.386 -6.044 13.295 1.00 0.00 H new ATOM 426 N ALA A 27 -2.208 0.783 13.591 1.00 0.00 N ATOM 427 CA ALA A 27 -2.337 2.242 13.467 1.00 0.00 C ATOM 428 C ALA A 27 -3.199 2.820 14.592 1.00 0.00 C ATOM 429 O ALA A 27 -2.871 3.892 15.097 1.00 0.00 O ATOM 430 CB ALA A 27 -2.969 2.611 12.124 1.00 0.00 C ATOM 0 H ALA A 27 -2.625 0.263 12.819 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.334 2.664 13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.057 3.695 12.049 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.342 2.241 11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.959 2.161 12.052 1.00 0.00 H new ATOM 436 N GLU A 28 -4.197 2.062 15.040 1.00 0.00 N ATOM 437 CA GLU A 28 -5.058 2.446 16.166 1.00 0.00 C ATOM 438 C GLU A 28 -4.341 2.305 17.511 1.00 0.00 C ATOM 439 O GLU A 28 -4.415 3.192 18.359 1.00 0.00 O ATOM 440 CB GLU A 28 -6.314 1.573 16.169 1.00 0.00 C ATOM 441 CG GLU A 28 -7.287 1.955 15.050 1.00 0.00 C ATOM 442 CD GLU A 28 -8.488 1.011 14.963 1.00 0.00 C ATOM 443 OE1 GLU A 28 -9.250 0.949 15.951 1.00 0.00 O ATOM 444 OE2 GLU A 28 -8.645 0.402 13.883 1.00 0.00 O ATOM 0 H GLU A 28 -4.436 1.158 14.633 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.323 3.495 16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.028 0.527 16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.816 1.665 17.132 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.641 2.973 15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.758 1.951 14.097 1.00 0.00 H new ATOM 451 N LYS A 29 -3.556 1.238 17.640 1.00 0.00 N ATOM 452 CA LYS A 29 -2.768 0.952 18.847 1.00 0.00 C ATOM 453 C LYS A 29 -1.691 2.014 19.083 1.00 0.00 C ATOM 454 O LYS A 29 -1.452 2.410 20.223 1.00 0.00 O ATOM 455 CB LYS A 29 -2.156 -0.443 18.716 1.00 0.00 C ATOM 456 CG LYS A 29 -1.436 -0.867 19.998 1.00 0.00 C ATOM 457 CD LYS A 29 -0.935 -2.311 19.934 1.00 0.00 C ATOM 458 CE LYS A 29 -0.204 -2.727 21.213 1.00 0.00 C ATOM 459 NZ LYS A 29 -1.107 -2.698 22.372 1.00 0.00 N ATOM 0 H LYS A 29 -3.445 0.539 16.906 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.424 0.980 19.717 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.940 -1.164 18.483 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.453 -0.456 17.883 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.592 -0.200 20.175 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.113 -0.757 20.845 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.779 -2.980 19.766 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.265 -2.424 19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.205 -3.730 21.092 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.639 -2.058 21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.652 -3.172 23.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.317 -1.711 22.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.992 -3.190 22.135 1.00 0.00 H new ATOM 473 N TYR A 30 -0.978 2.356 18.013 1.00 0.00 N ATOM 474 CA TYR A 30 0.112 3.340 18.061 1.00 0.00 C ATOM 475 C TYR A 30 -0.339 4.739 17.636 1.00 0.00 C ATOM 476 O TYR A 30 0.494 5.567 17.270 1.00 0.00 O ATOM 477 CB TYR A 30 1.273 2.831 17.203 1.00 0.00 C ATOM 478 CG TYR A 30 1.830 1.485 17.672 1.00 0.00 C ATOM 479 CD1 TYR A 30 2.369 1.341 18.945 1.00 0.00 C ATOM 480 CD2 TYR A 30 1.661 0.383 16.842 1.00 0.00 C ATOM 481 CE1 TYR A 30 2.716 0.077 19.408 1.00 0.00 C ATOM 482 CE2 TYR A 30 1.999 -0.887 17.296 1.00 0.00 C ATOM 483 CZ TYR A 30 2.519 -1.021 18.578 1.00 0.00 C ATOM 484 OH TYR A 30 2.768 -2.267 19.060 1.00 0.00 O ATOM 0 H TYR A 30 -1.136 1.961 17.086 1.00 0.00 H new ATOM 0 HA TYR A 30 0.442 3.444 19.095 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.938 2.737 16.170 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.074 3.571 17.213 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.518 2.208 19.572 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.267 0.513 15.845 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.132 -0.050 20.397 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.860 -1.752 16.665 1.00 0.00 H new ATOM 0 HH TYR A 30 2.583 -2.930 18.363 1.00 0.00 H new ATOM 494 N GLU A 31 -1.643 4.978 17.740 1.00 0.00 N ATOM 495 CA GLU A 31 -2.363 6.219 17.419 1.00 0.00 C ATOM 496 C GLU A 31 -1.735 7.069 16.312 1.00 0.00 C ATOM 497 O GLU A 31 -1.192 8.159 16.481 1.00 0.00 O ATOM 498 CB GLU A 31 -2.699 6.965 18.712 1.00 0.00 C ATOM 499 CG GLU A 31 -1.497 7.309 19.592 1.00 0.00 C ATOM 500 CD GLU A 31 -1.857 7.579 21.056 1.00 0.00 C ATOM 501 OE1 GLU A 31 -2.905 8.208 21.312 1.00 0.00 O ATOM 502 OE2 GLU A 31 -1.059 7.140 21.912 1.00 0.00 O ATOM 0 H GLU A 31 -2.279 4.255 18.077 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.306 5.943 16.948 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.219 7.888 18.456 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.394 6.359 19.293 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.781 6.488 19.549 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.999 8.188 19.182 1.00 0.00 H new ATOM 509 N VAL A 32 -1.832 6.487 15.121 1.00 0.00 N ATOM 510 CA VAL A 32 -1.329 7.024 13.848 1.00 0.00 C ATOM 511 C VAL A 32 -2.549 7.337 12.981 1.00 0.00 C ATOM 512 O VAL A 32 -3.218 6.414 12.517 1.00 0.00 O ATOM 513 CB VAL A 32 -0.420 6.008 13.154 1.00 0.00 C ATOM 514 CG1 VAL A 32 0.267 6.622 11.932 1.00 0.00 C ATOM 515 CG2 VAL A 32 0.669 5.422 14.056 1.00 0.00 C ATOM 0 H VAL A 32 -2.286 5.581 15.005 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.735 7.922 14.017 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.091 5.199 12.864 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.906 5.875 11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.488 6.956 11.220 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.873 7.473 12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.269 4.711 13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.309 6.225 14.423 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.206 4.912 14.901 1.00 0.00 H new ATOM 525 N PRO A 33 -2.851 8.609 12.734 1.00 0.00 N ATOM 526 CA PRO A 33 -3.990 9.001 11.892 1.00 0.00 C ATOM 527 C PRO A 33 -3.724 8.818 10.396 1.00 0.00 C ATOM 528 O PRO A 33 -3.310 9.714 9.664 1.00 0.00 O ATOM 529 CB PRO A 33 -4.283 10.451 12.285 1.00 0.00 C ATOM 530 CG PRO A 33 -2.917 10.985 12.723 1.00 0.00 C ATOM 531 CD PRO A 33 -2.249 9.779 13.388 1.00 0.00 C ATOM 0 HA PRO A 33 -4.855 8.360 12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.687 11.020 11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.014 10.508 13.092 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.337 11.345 11.873 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.018 11.820 13.417 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.168 9.798 13.248 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.431 9.769 14.463 1.00 0.00 H new ATOM 539 N VAL A 34 -4.088 7.623 9.939 1.00 0.00 N ATOM 540 CA VAL A 34 -3.925 7.172 8.549 1.00 0.00 C ATOM 541 C VAL A 34 -5.108 6.341 8.051 1.00 0.00 C ATOM 542 O VAL A 34 -5.781 5.650 8.815 1.00 0.00 O ATOM 543 CB VAL A 34 -2.632 6.387 8.320 1.00 0.00 C ATOM 544 CG1 VAL A 34 -1.411 7.309 8.364 1.00 0.00 C ATOM 545 CG2 VAL A 34 -2.423 5.234 9.305 1.00 0.00 C ATOM 0 H VAL A 34 -4.517 6.918 10.538 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.877 8.095 7.971 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.740 5.950 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.507 6.723 8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.500 8.068 7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.356 7.793 9.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.486 4.727 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.386 5.626 10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.248 4.527 9.218 1.00 0.00 H new ATOM 555 N ILE A 35 -5.371 6.494 6.756 1.00 0.00 N ATOM 556 CA ILE A 35 -6.410 5.759 6.022 1.00 0.00 C ATOM 557 C ILE A 35 -5.723 4.720 5.133 1.00 0.00 C ATOM 558 O ILE A 35 -5.071 5.051 4.144 1.00 0.00 O ATOM 559 CB ILE A 35 -7.317 6.712 5.241 1.00 0.00 C ATOM 560 CG1 ILE A 35 -8.050 7.641 6.211 1.00 0.00 C ATOM 561 CG2 ILE A 35 -8.333 5.950 4.387 1.00 0.00 C ATOM 562 CD1 ILE A 35 -8.735 8.850 5.573 1.00 0.00 C ATOM 0 H ILE A 35 -4.856 7.149 6.168 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.070 5.238 6.716 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.689 7.299 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.801 7.060 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.336 7.999 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.960 6.660 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.806 5.316 3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.958 5.331 5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.224 9.442 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.991 9.463 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.479 8.509 4.853 1.00 0.00 H new ATOM 574 N ILE A 36 -5.882 3.465 5.543 1.00 0.00 N ATOM 575 CA ILE A 36 -5.255 2.317 4.872 1.00 0.00 C ATOM 576 C ILE A 36 -6.352 1.467 4.229 1.00 0.00 C ATOM 577 O ILE A 36 -7.143 0.830 4.924 1.00 0.00 O ATOM 578 CB ILE A 36 -4.422 1.483 5.848 1.00 0.00 C ATOM 579 CG1 ILE A 36 -3.452 2.350 6.653 1.00 0.00 C ATOM 580 CG2 ILE A 36 -3.649 0.411 5.077 1.00 0.00 C ATOM 581 CD1 ILE A 36 -3.001 1.709 7.967 1.00 0.00 C ATOM 0 H ILE A 36 -6.449 3.209 6.351 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.572 2.681 4.104 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.105 1.011 6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.574 2.561 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.927 3.307 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.056 -0.182 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.351 -0.238 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.988 0.889 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.315 2.381 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.870 1.523 8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.496 0.766 7.757 1.00 0.00 H new ATOM 593 N GLU A 37 -6.371 1.478 2.899 1.00 0.00 N ATOM 594 CA GLU A 37 -7.372 0.779 2.081 1.00 0.00 C ATOM 595 C GLU A 37 -6.735 -0.029 0.947 1.00 0.00 C ATOM 596 O GLU A 37 -5.668 0.305 0.435 1.00 0.00 O ATOM 597 CB GLU A 37 -8.360 1.760 1.446 1.00 0.00 C ATOM 598 CG GLU A 37 -9.129 2.613 2.457 1.00 0.00 C ATOM 599 CD GLU A 37 -10.158 3.497 1.751 1.00 0.00 C ATOM 600 OE1 GLU A 37 -9.750 4.570 1.257 1.00 0.00 O ATOM 601 OE2 GLU A 37 -11.339 3.085 1.773 1.00 0.00 O ATOM 0 H GLU A 37 -5.679 1.982 2.344 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.888 0.106 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.817 2.419 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.074 1.200 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.631 1.967 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.432 3.236 3.019 1.00 0.00 H new ATOM 608 N ALA A 38 -7.428 -1.106 0.591 1.00 0.00 N ATOM 609 CA ALA A 38 -7.012 -2.001 -0.500 1.00 0.00 C ATOM 610 C ALA A 38 -7.936 -1.915 -1.716 1.00 0.00 C ATOM 611 O ALA A 38 -9.150 -1.781 -1.568 1.00 0.00 O ATOM 612 CB ALA A 38 -6.956 -3.445 0.003 1.00 0.00 C ATOM 0 H ALA A 38 -8.295 -1.389 1.047 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.022 -1.676 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.647 -4.102 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.239 -3.518 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.942 -3.745 0.358 1.00 0.00 H new ATOM 618 N PHE A 39 -7.317 -1.969 -2.890 1.00 0.00 N ATOM 619 CA PHE A 39 -7.990 -1.863 -4.193 1.00 0.00 C ATOM 620 C PHE A 39 -7.377 -2.775 -5.258 1.00 0.00 C ATOM 621 O PHE A 39 -6.188 -3.077 -5.179 1.00 0.00 O ATOM 622 CB PHE A 39 -7.903 -0.426 -4.711 1.00 0.00 C ATOM 623 CG PHE A 39 -8.592 0.631 -3.844 1.00 0.00 C ATOM 624 CD1 PHE A 39 -9.962 0.829 -3.967 1.00 0.00 C ATOM 625 CD2 PHE A 39 -7.836 1.411 -2.977 1.00 0.00 C ATOM 626 CE1 PHE A 39 -10.589 1.810 -3.207 1.00 0.00 C ATOM 627 CE2 PHE A 39 -8.459 2.397 -2.220 1.00 0.00 C ATOM 628 CZ PHE A 39 -9.832 2.583 -2.334 1.00 0.00 C ATOM 0 H PHE A 39 -6.308 -2.091 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.023 -2.169 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.851 -0.158 -4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.338 -0.391 -5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.538 0.223 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.771 1.252 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.654 1.970 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.880 3.014 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.318 3.339 -1.735 1.00 0.00 H new ATOM 638 N PRO A 40 -8.161 -3.233 -6.230 1.00 0.00 N ATOM 639 CA PRO A 40 -7.628 -3.850 -7.453 1.00 0.00 C ATOM 640 C PRO A 40 -6.892 -2.840 -8.334 1.00 0.00 C ATOM 641 O PRO A 40 -7.146 -1.637 -8.281 1.00 0.00 O ATOM 642 CB PRO A 40 -8.815 -4.485 -8.181 1.00 0.00 C ATOM 643 CG PRO A 40 -10.051 -3.838 -7.552 1.00 0.00 C ATOM 644 CD PRO A 40 -9.614 -3.440 -6.140 1.00 0.00 C ATOM 0 HA PRO A 40 -6.883 -4.605 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.770 -4.293 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.826 -5.567 -8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.376 -2.969 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.890 -4.534 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.121 -2.533 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.857 -4.220 -5.418 1.00 0.00 H new ATOM 652 N GLU A 41 -5.993 -3.377 -9.154 1.00 0.00 N ATOM 653 CA GLU A 41 -5.096 -2.604 -10.027 1.00 0.00 C ATOM 654 C GLU A 41 -5.814 -1.740 -11.064 1.00 0.00 C ATOM 655 O GLU A 41 -5.274 -0.746 -11.550 1.00 0.00 O ATOM 656 CB GLU A 41 -4.069 -3.524 -10.691 1.00 0.00 C ATOM 657 CG GLU A 41 -4.455 -4.147 -12.034 1.00 0.00 C ATOM 658 CD GLU A 41 -5.429 -5.326 -11.976 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.625 -5.063 -11.725 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.965 -6.439 -12.305 1.00 0.00 O ATOM 0 H GLU A 41 -5.860 -4.385 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.582 -1.898 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.149 -2.957 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.841 -4.332 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.895 -3.370 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.544 -4.479 -12.532 1.00 0.00 H new ATOM 667 N THR A 42 -7.088 -2.045 -11.298 1.00 0.00 N ATOM 668 CA THR A 42 -8.000 -1.306 -12.183 1.00 0.00 C ATOM 669 C THR A 42 -8.194 0.158 -11.782 1.00 0.00 C ATOM 670 O THR A 42 -8.334 1.035 -12.633 1.00 0.00 O ATOM 671 CB THR A 42 -9.377 -1.974 -12.212 1.00 0.00 C ATOM 672 OG1 THR A 42 -9.862 -2.118 -10.874 1.00 0.00 O ATOM 673 CG2 THR A 42 -9.343 -3.317 -12.944 1.00 0.00 C ATOM 0 H THR A 42 -7.538 -2.848 -10.859 1.00 0.00 H new ATOM 0 HA THR A 42 -7.528 -1.326 -13.165 1.00 0.00 H new ATOM 0 HB THR A 42 -10.062 -1.337 -12.771 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.744 -2.544 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.340 -3.758 -12.942 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.017 -3.163 -13.972 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.648 -3.989 -12.440 1.00 0.00 H new ATOM 681 N LEU A 43 -8.049 0.416 -10.485 1.00 0.00 N ATOM 682 CA LEU A 43 -8.209 1.747 -9.882 1.00 0.00 C ATOM 683 C LEU A 43 -6.883 2.379 -9.457 1.00 0.00 C ATOM 684 O LEU A 43 -6.839 3.333 -8.682 1.00 0.00 O ATOM 685 CB LEU A 43 -9.146 1.620 -8.679 1.00 0.00 C ATOM 686 CG LEU A 43 -10.534 1.096 -9.053 1.00 0.00 C ATOM 687 CD1 LEU A 43 -11.277 0.646 -7.793 1.00 0.00 C ATOM 688 CD2 LEU A 43 -11.369 2.152 -9.780 1.00 0.00 C ATOM 0 H LEU A 43 -7.812 -0.306 -9.805 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.629 2.411 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.697 0.951 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.248 2.594 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.392 0.253 -9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.264 0.274 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.713 -0.147 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.383 1.490 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.346 1.737 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.496 3.022 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.860 2.451 -10.697 1.00 0.00 H new ATOM 700 N ALA A 44 -5.808 1.936 -10.103 1.00 0.00 N ATOM 701 CA ALA A 44 -4.443 2.410 -9.827 1.00 0.00 C ATOM 702 C ALA A 44 -4.212 3.867 -10.230 1.00 0.00 C ATOM 703 O ALA A 44 -3.650 4.628 -9.443 1.00 0.00 O ATOM 704 CB ALA A 44 -3.410 1.520 -10.520 1.00 0.00 C ATOM 0 H ALA A 44 -5.854 1.232 -10.840 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.322 2.352 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.408 1.889 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.508 0.497 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.578 1.539 -11.597 1.00 0.00 H new ATOM 710 N GLY A 45 -4.758 4.256 -11.379 1.00 0.00 N ATOM 711 CA GLY A 45 -4.737 5.644 -11.862 1.00 0.00 C ATOM 712 C GLY A 45 -5.578 6.546 -10.957 1.00 0.00 C ATOM 713 O GLY A 45 -5.035 7.285 -10.136 1.00 0.00 O ATOM 0 H GLY A 45 -5.234 3.613 -12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.710 6.008 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.120 5.685 -12.882 1.00 0.00 H new ATOM 717 N GLU A 46 -6.858 6.192 -10.886 1.00 0.00 N ATOM 718 CA GLU A 46 -7.909 6.977 -10.222 1.00 0.00 C ATOM 719 C GLU A 46 -7.621 7.252 -8.744 1.00 0.00 C ATOM 720 O GLU A 46 -7.466 8.394 -8.314 1.00 0.00 O ATOM 721 CB GLU A 46 -9.223 6.209 -10.377 1.00 0.00 C ATOM 722 CG GLU A 46 -10.454 7.053 -10.039 1.00 0.00 C ATOM 723 CD GLU A 46 -11.718 6.197 -9.938 1.00 0.00 C ATOM 724 OE1 GLU A 46 -12.074 5.577 -10.963 1.00 0.00 O ATOM 725 OE2 GLU A 46 -12.267 6.163 -8.815 1.00 0.00 O ATOM 0 H GLU A 46 -7.209 5.328 -11.299 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.959 7.958 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.307 5.848 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.203 5.331 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.290 7.573 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.592 7.817 -10.804 1.00 0.00 H new ATOM 732 N LYS A 47 -7.429 6.175 -7.988 1.00 0.00 N ATOM 733 CA LYS A 47 -7.187 6.244 -6.540 1.00 0.00 C ATOM 734 C LYS A 47 -5.753 6.628 -6.167 1.00 0.00 C ATOM 735 O LYS A 47 -5.548 7.362 -5.202 1.00 0.00 O ATOM 736 CB LYS A 47 -7.549 4.927 -5.850 1.00 0.00 C ATOM 737 CG LYS A 47 -8.950 4.936 -5.237 1.00 0.00 C ATOM 738 CD LYS A 47 -10.072 4.994 -6.276 1.00 0.00 C ATOM 739 CE LYS A 47 -11.439 5.210 -5.624 1.00 0.00 C ATOM 740 NZ LYS A 47 -11.510 6.563 -5.054 1.00 0.00 N ATOM 0 H LYS A 47 -7.436 5.224 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.839 7.043 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.481 4.114 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.818 4.721 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.077 4.041 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.040 5.793 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.874 5.802 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.085 4.067 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.230 5.074 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.601 4.467 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.505 6.819 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.993 6.587 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.083 7.242 -5.716 1.00 0.00 H new ATOM 754 N GLY A 48 -4.807 6.267 -7.029 1.00 0.00 N ATOM 755 CA GLY A 48 -3.390 6.634 -6.896 1.00 0.00 C ATOM 756 C GLY A 48 -3.159 8.146 -6.920 1.00 0.00 C ATOM 757 O GLY A 48 -2.278 8.665 -6.236 1.00 0.00 O ATOM 0 H GLY A 48 -5.001 5.702 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.001 6.227 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.823 6.173 -7.705 1.00 0.00 H new ATOM 761 N GLN A 49 -4.054 8.853 -7.605 1.00 0.00 N ATOM 762 CA GLN A 49 -4.103 10.320 -7.682 1.00 0.00 C ATOM 763 C GLN A 49 -4.324 11.015 -6.336 1.00 0.00 C ATOM 764 O GLN A 49 -3.871 12.141 -6.140 1.00 0.00 O ATOM 765 CB GLN A 49 -5.242 10.744 -8.612 1.00 0.00 C ATOM 766 CG GLN A 49 -4.897 10.482 -10.079 1.00 0.00 C ATOM 767 CD GLN A 49 -6.122 10.575 -10.992 1.00 0.00 C ATOM 768 OE1 GLN A 49 -7.138 11.204 -10.700 1.00 0.00 O ATOM 769 NE2 GLN A 49 -6.016 9.959 -12.167 1.00 0.00 N ATOM 0 H GLN A 49 -4.796 8.407 -8.144 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.125 10.625 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.149 10.201 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.453 11.804 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.147 11.202 -10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.451 9.492 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.168 9.441 -12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.783 10.005 -12.838 1.00 0.00 H new ATOM 778 N ASN A 50 -4.946 10.289 -5.412 1.00 0.00 N ATOM 779 CA ASN A 50 -5.261 10.783 -4.063 1.00 0.00 C ATOM 780 C ASN A 50 -4.505 10.061 -2.946 1.00 0.00 C ATOM 781 O ASN A 50 -4.720 10.341 -1.767 1.00 0.00 O ATOM 782 CB ASN A 50 -6.765 10.654 -3.818 1.00 0.00 C ATOM 783 CG ASN A 50 -7.564 11.563 -4.754 1.00 0.00 C ATOM 784 OD1 ASN A 50 -7.782 12.746 -4.498 1.00 0.00 O ATOM 785 ND2 ASN A 50 -7.978 11.031 -5.901 1.00 0.00 N ATOM 0 H ASN A 50 -5.252 9.330 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.940 11.824 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.071 9.618 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.989 10.909 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.481 11.605 -6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.792 10.049 -6.104 1.00 0.00 H new ATOM 792 N ALA A 51 -3.544 9.225 -3.329 1.00 0.00 N ATOM 793 CA ALA A 51 -2.664 8.538 -2.372 1.00 0.00 C ATOM 794 C ALA A 51 -1.396 9.356 -2.123 1.00 0.00 C ATOM 795 O ALA A 51 -0.885 10.022 -3.023 1.00 0.00 O ATOM 796 CB ALA A 51 -2.280 7.158 -2.912 1.00 0.00 C ATOM 0 H ALA A 51 -3.349 9.002 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.203 8.425 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.628 6.656 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.181 6.563 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.757 7.271 -3.862 1.00 0.00 H new ATOM 802 N ASP A 52 -0.968 9.323 -0.865 1.00 0.00 N ATOM 803 CA ASP A 52 0.313 9.901 -0.435 1.00 0.00 C ATOM 804 C ASP A 52 1.454 8.891 -0.583 1.00 0.00 C ATOM 805 O ASP A 52 2.604 9.295 -0.749 1.00 0.00 O ATOM 806 CB ASP A 52 0.251 10.427 1.001 1.00 0.00 C ATOM 807 CG ASP A 52 -0.720 11.604 1.120 1.00 0.00 C ATOM 808 OD1 ASP A 52 -0.351 12.702 0.651 1.00 0.00 O ATOM 809 OD2 ASP A 52 -1.780 11.373 1.743 1.00 0.00 O ATOM 0 H ASP A 52 -1.498 8.894 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 52 0.512 10.748 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.061 9.626 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.246 10.739 1.320 1.00 0.00 H new ATOM 814 N VAL A 53 1.132 7.605 -0.475 1.00 0.00 N ATOM 815 CA VAL A 53 1.989 6.505 -0.938 1.00 0.00 C ATOM 816 C VAL A 53 1.109 5.372 -1.469 1.00 0.00 C ATOM 817 O VAL A 53 0.022 5.093 -0.964 1.00 0.00 O ATOM 818 CB VAL A 53 2.965 6.055 0.152 1.00 0.00 C ATOM 819 CG1 VAL A 53 2.282 5.396 1.352 1.00 0.00 C ATOM 820 CG2 VAL A 53 4.041 5.134 -0.425 1.00 0.00 C ATOM 0 H VAL A 53 0.257 7.288 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 53 2.618 6.850 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 53 3.433 6.965 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.035 5.103 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.588 6.102 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.736 4.513 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.722 4.828 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.570 4.252 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.599 5.665 -1.197 1.00 0.00 H new ATOM 830 N VAL A 54 1.587 4.816 -2.579 1.00 0.00 N ATOM 831 CA VAL A 54 0.999 3.638 -3.233 1.00 0.00 C ATOM 832 C VAL A 54 1.946 2.465 -2.975 1.00 0.00 C ATOM 833 O VAL A 54 3.156 2.546 -3.181 1.00 0.00 O ATOM 834 CB VAL A 54 0.852 3.891 -4.734 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.261 2.691 -5.477 1.00 0.00 C ATOM 836 CG2 VAL A 54 -0.047 5.093 -5.027 1.00 0.00 C ATOM 0 H VAL A 54 2.410 5.175 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 54 0.006 3.423 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 54 1.866 4.080 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.179 2.925 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.911 1.826 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.728 2.466 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.123 5.236 -6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.040 4.914 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.380 5.986 -4.572 1.00 0.00 H new ATOM 846 N LEU A 55 1.345 1.410 -2.432 1.00 0.00 N ATOM 847 CA LEU A 55 2.033 0.130 -2.204 1.00 0.00 C ATOM 848 C LEU A 55 1.468 -0.966 -3.108 1.00 0.00 C ATOM 849 O LEU A 55 0.266 -1.052 -3.360 1.00 0.00 O ATOM 850 CB LEU A 55 1.928 -0.283 -0.734 1.00 0.00 C ATOM 851 CG LEU A 55 2.817 0.577 0.167 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.435 0.339 1.629 1.00 0.00 C ATOM 853 CD2 LEU A 55 4.303 0.260 -0.013 1.00 0.00 C ATOM 0 H LEU A 55 0.369 1.412 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 55 3.086 0.265 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.892 -0.200 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.212 -1.330 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 55 2.659 1.618 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.066 0.950 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.390 0.611 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.576 -0.713 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.893 0.896 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.484 -0.786 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.592 0.445 -1.048 1.00 0.00 H new ATOM 865 N LEU A 56 2.411 -1.737 -3.642 1.00 0.00 N ATOM 866 CA LEU A 56 2.135 -2.851 -4.560 1.00 0.00 C ATOM 867 C LEU A 56 2.501 -4.203 -3.943 1.00 0.00 C ATOM 868 O LEU A 56 3.505 -4.343 -3.246 1.00 0.00 O ATOM 869 CB LEU A 56 2.947 -2.719 -5.850 1.00 0.00 C ATOM 870 CG LEU A 56 2.288 -1.885 -6.951 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.182 -0.400 -6.601 1.00 0.00 C ATOM 872 CD2 LEU A 56 3.073 -2.042 -8.256 1.00 0.00 C ATOM 0 H LEU A 56 3.404 -1.608 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 56 1.066 -2.807 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.913 -2.275 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.144 -3.717 -6.241 1.00 0.00 H new ATOM 0 HG LEU A 56 1.271 -2.261 -7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.706 0.134 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.585 -0.281 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.179 0.006 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.601 -1.447 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.097 -1.700 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.080 -3.091 -8.552 1.00 0.00 H new ATOM 884 N GLY A 57 1.641 -5.177 -4.229 1.00 0.00 N ATOM 885 CA GLY A 57 1.908 -6.598 -3.964 1.00 0.00 C ATOM 886 C GLY A 57 3.132 -7.046 -4.764 1.00 0.00 C ATOM 887 O GLY A 57 3.244 -6.660 -5.926 1.00 0.00 O ATOM 0 H GLY A 57 0.730 -5.006 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.080 -6.754 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.041 -7.199 -4.239 1.00 0.00 H new ATOM 891 N PRO A 58 4.006 -7.880 -4.208 1.00 0.00 N ATOM 892 CA PRO A 58 5.204 -8.353 -4.917 1.00 0.00 C ATOM 893 C PRO A 58 4.918 -9.116 -6.213 1.00 0.00 C ATOM 894 O PRO A 58 5.710 -9.084 -7.153 1.00 0.00 O ATOM 895 CB PRO A 58 5.968 -9.215 -3.911 1.00 0.00 C ATOM 896 CG PRO A 58 4.927 -9.599 -2.858 1.00 0.00 C ATOM 897 CD PRO A 58 3.980 -8.398 -2.832 1.00 0.00 C ATOM 0 HA PRO A 58 5.785 -7.496 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.393 -10.098 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.796 -8.664 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.404 -10.516 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.386 -9.769 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.973 -8.693 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.313 -7.645 -2.118 1.00 0.00 H new ATOM 905 N GLN A 59 3.717 -9.679 -6.304 1.00 0.00 N ATOM 906 CA GLN A 59 3.193 -10.343 -7.507 1.00 0.00 C ATOM 907 C GLN A 59 2.961 -9.399 -8.689 1.00 0.00 C ATOM 908 O GLN A 59 3.194 -9.796 -9.829 1.00 0.00 O ATOM 909 CB GLN A 59 1.909 -11.122 -7.213 1.00 0.00 C ATOM 910 CG GLN A 59 0.854 -10.374 -6.395 1.00 0.00 C ATOM 911 CD GLN A 59 0.995 -10.574 -4.884 1.00 0.00 C ATOM 912 OE1 GLN A 59 2.060 -10.845 -4.331 1.00 0.00 O ATOM 913 NE2 GLN A 59 -0.117 -10.397 -4.176 1.00 0.00 N ATOM 0 H GLN A 59 3.058 -9.690 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 59 3.980 -11.037 -7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.462 -11.422 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.174 -12.036 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.920 -9.309 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.137 -10.705 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.992 -10.173 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.094 -10.486 -3.160 1.00 0.00 H new ATOM 922 N ILE A 60 2.647 -8.139 -8.406 1.00 0.00 N ATOM 923 CA ILE A 60 2.488 -7.124 -9.458 1.00 0.00 C ATOM 924 C ILE A 60 3.601 -6.076 -9.413 1.00 0.00 C ATOM 925 O ILE A 60 3.458 -4.940 -9.864 1.00 0.00 O ATOM 926 CB ILE A 60 1.107 -6.466 -9.463 1.00 0.00 C ATOM 927 CG1 ILE A 60 0.763 -5.746 -8.158 1.00 0.00 C ATOM 928 CG2 ILE A 60 0.043 -7.499 -9.843 1.00 0.00 C ATOM 929 CD1 ILE A 60 -0.223 -4.599 -8.393 1.00 0.00 C ATOM 0 H ILE A 60 2.496 -7.790 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 60 2.573 -7.664 -10.401 1.00 0.00 H new ATOM 0 HB ILE A 60 1.128 -5.679 -10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.334 -6.457 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.675 -5.356 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.939 -7.026 -9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.258 -7.894 -10.836 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.052 -8.314 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.445 -4.110 -7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.217 -3.876 -9.080 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.144 -4.993 -8.822 1.00 0.00 H new ATOM 941 N ALA A 61 4.793 -6.544 -9.055 1.00 0.00 N ATOM 942 CA ALA A 61 6.001 -5.708 -9.001 1.00 0.00 C ATOM 943 C ALA A 61 6.514 -5.286 -10.379 1.00 0.00 C ATOM 944 O ALA A 61 7.095 -4.212 -10.529 1.00 0.00 O ATOM 945 CB ALA A 61 7.120 -6.444 -8.260 1.00 0.00 C ATOM 0 H ALA A 61 4.955 -7.516 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 61 5.714 -4.801 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.009 -5.815 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.797 -6.669 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.352 -7.373 -8.781 1.00 0.00 H new ATOM 951 N TYR A 62 6.205 -6.098 -11.385 1.00 0.00 N ATOM 952 CA TYR A 62 6.492 -5.789 -12.793 1.00 0.00 C ATOM 953 C TYR A 62 5.735 -4.564 -13.310 1.00 0.00 C ATOM 954 O TYR A 62 6.184 -3.915 -14.253 1.00 0.00 O ATOM 955 CB TYR A 62 6.214 -7.009 -13.675 1.00 0.00 C ATOM 956 CG TYR A 62 4.748 -7.433 -13.774 1.00 0.00 C ATOM 957 CD1 TYR A 62 4.201 -8.256 -12.796 1.00 0.00 C ATOM 958 CD2 TYR A 62 4.004 -7.022 -14.874 1.00 0.00 C ATOM 959 CE1 TYR A 62 2.880 -8.671 -12.914 1.00 0.00 C ATOM 960 CE2 TYR A 62 2.685 -7.440 -15.002 1.00 0.00 C ATOM 961 CZ TYR A 62 2.139 -8.248 -14.011 1.00 0.00 C ATOM 962 OH TYR A 62 0.832 -8.611 -14.113 1.00 0.00 O ATOM 0 H TYR A 62 5.744 -6.998 -11.251 1.00 0.00 H new ATOM 0 HA TYR A 62 7.551 -5.538 -12.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.582 -6.800 -14.680 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.792 -7.850 -13.293 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.797 -8.570 -11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.448 -6.383 -15.623 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.437 -9.311 -12.166 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.095 -7.143 -15.856 1.00 0.00 H new ATOM 0 HH TYR A 62 0.452 -8.236 -14.935 1.00 0.00 H new ATOM 972 N MET A 63 4.640 -4.218 -12.638 1.00 0.00 N ATOM 973 CA MET A 63 3.817 -3.044 -12.958 1.00 0.00 C ATOM 974 C MET A 63 4.312 -1.743 -12.321 1.00 0.00 C ATOM 975 O MET A 63 3.855 -0.669 -12.708 1.00 0.00 O ATOM 976 CB MET A 63 2.389 -3.335 -12.493 1.00 0.00 C ATOM 977 CG MET A 63 1.712 -4.386 -13.376 1.00 0.00 C ATOM 978 SD MET A 63 0.076 -4.924 -12.758 1.00 0.00 S ATOM 979 CE MET A 63 -0.998 -3.905 -13.746 1.00 0.00 C ATOM 0 H MET A 63 4.290 -4.751 -11.842 1.00 0.00 H new ATOM 0 HA MET A 63 3.874 -2.884 -14.035 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.406 -3.683 -11.460 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.806 -2.414 -12.510 1.00 0.00 H new ATOM 0 HG2 MET A 63 1.596 -3.982 -14.382 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.364 -5.256 -13.455 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.625 -3.297 -13.093 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.398 -3.254 -14.382 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.630 -4.539 -14.368 1.00 0.00 H new ATOM 989 N LEU A 64 5.331 -1.810 -11.467 1.00 0.00 N ATOM 990 CA LEU A 64 5.934 -0.620 -10.848 1.00 0.00 C ATOM 991 C LEU A 64 6.396 0.433 -11.858 1.00 0.00 C ATOM 992 O LEU A 64 5.898 1.549 -11.722 1.00 0.00 O ATOM 993 CB LEU A 64 7.031 -1.046 -9.871 1.00 0.00 C ATOM 994 CG LEU A 64 7.681 0.171 -9.209 1.00 0.00 C ATOM 995 CD1 LEU A 64 6.812 0.746 -8.089 1.00 0.00 C ATOM 996 CD2 LEU A 64 9.081 -0.147 -8.679 1.00 0.00 C ATOM 0 H LEU A 64 5.765 -2.688 -11.181 1.00 0.00 H new ATOM 0 HA LEU A 64 5.155 -0.109 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.608 -1.698 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.789 -1.625 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 64 7.775 0.928 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.312 1.608 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.849 1.054 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.655 -0.014 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.506 0.744 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.017 -0.944 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.718 -0.467 -9.503 1.00 0.00 H new ATOM 1008 N PRO A 65 7.152 0.137 -12.911 1.00 0.00 N ATOM 1009 CA PRO A 65 7.555 1.158 -13.890 1.00 0.00 C ATOM 1010 C PRO A 65 6.390 1.821 -14.628 1.00 0.00 C ATOM 1011 O PRO A 65 6.429 3.029 -14.856 1.00 0.00 O ATOM 1012 CB PRO A 65 8.496 0.458 -14.873 1.00 0.00 C ATOM 1013 CG PRO A 65 8.152 -1.025 -14.726 1.00 0.00 C ATOM 1014 CD PRO A 65 7.771 -1.153 -13.250 1.00 0.00 C ATOM 0 HA PRO A 65 8.037 1.982 -13.364 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.336 0.805 -15.894 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.541 0.651 -14.631 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.330 -1.314 -15.380 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.000 -1.662 -14.979 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.078 -1.979 -13.090 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.647 -1.347 -12.630 1.00 0.00 H new ATOM 1022 N GLU A 66 5.302 1.078 -14.813 1.00 0.00 N ATOM 1023 CA GLU A 66 4.124 1.566 -15.545 1.00 0.00 C ATOM 1024 C GLU A 66 3.201 2.425 -14.678 1.00 0.00 C ATOM 1025 O GLU A 66 2.692 3.459 -15.107 1.00 0.00 O ATOM 1026 CB GLU A 66 3.365 0.361 -16.106 1.00 0.00 C ATOM 1027 CG GLU A 66 2.447 0.730 -17.274 1.00 0.00 C ATOM 1028 CD GLU A 66 3.217 1.173 -18.519 1.00 0.00 C ATOM 1029 OE1 GLU A 66 3.675 0.264 -19.245 1.00 0.00 O ATOM 1030 OE2 GLU A 66 3.317 2.398 -18.749 1.00 0.00 O ATOM 0 H GLU A 66 5.207 0.124 -14.464 1.00 0.00 H new ATOM 0 HA GLU A 66 4.469 2.212 -16.353 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.081 -0.392 -16.436 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.771 -0.091 -15.311 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.824 -0.128 -17.525 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.776 1.531 -16.963 1.00 0.00 H new ATOM 1037 N ILE A 67 3.054 2.036 -13.415 1.00 0.00 N ATOM 1038 CA ILE A 67 2.280 2.776 -12.408 1.00 0.00 C ATOM 1039 C ILE A 67 3.032 4.023 -11.938 1.00 0.00 C ATOM 1040 O ILE A 67 2.415 5.041 -11.629 1.00 0.00 O ATOM 1041 CB ILE A 67 1.867 1.817 -11.290 1.00 0.00 C ATOM 1042 CG1 ILE A 67 0.827 0.858 -11.871 1.00 0.00 C ATOM 1043 CG2 ILE A 67 1.310 2.537 -10.059 1.00 0.00 C ATOM 1044 CD1 ILE A 67 0.433 -0.331 -10.991 1.00 0.00 C ATOM 0 H ILE A 67 3.475 1.182 -13.050 1.00 0.00 H new ATOM 0 HA ILE A 67 1.359 3.164 -12.843 1.00 0.00 H new ATOM 0 HB ILE A 67 2.749 1.281 -10.940 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.074 1.428 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.208 0.472 -12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.035 1.803 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.069 3.208 -9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.429 3.113 -10.342 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.309 -0.937 -11.510 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.315 -0.937 -10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.013 0.034 -10.054 1.00 0.00 H new ATOM 1056 N GLN A 68 4.360 3.952 -11.959 1.00 0.00 N ATOM 1057 CA GLN A 68 5.234 5.108 -11.709 1.00 0.00 C ATOM 1058 C GLN A 68 5.098 6.152 -12.819 1.00 0.00 C ATOM 1059 O GLN A 68 5.018 7.352 -12.560 1.00 0.00 O ATOM 1060 CB GLN A 68 6.695 4.656 -11.664 1.00 0.00 C ATOM 1061 CG GLN A 68 7.464 5.212 -10.463 1.00 0.00 C ATOM 1062 CD GLN A 68 7.488 6.740 -10.380 1.00 0.00 C ATOM 1063 OE1 GLN A 68 7.798 7.463 -11.326 1.00 0.00 O ATOM 1064 NE2 GLN A 68 7.119 7.251 -9.209 1.00 0.00 N ATOM 0 H GLN A 68 4.869 3.089 -12.150 1.00 0.00 H new ATOM 0 HA GLN A 68 4.935 5.547 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.730 3.567 -11.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.193 4.968 -12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.020 4.818 -9.549 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.490 4.846 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.866 6.631 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.089 8.262 -9.081 1.00 0.00 H new ATOM 1073 N ARG A 69 4.978 5.663 -14.050 1.00 0.00 N ATOM 1074 CA ARG A 69 4.761 6.472 -15.259 1.00 0.00 C ATOM 1075 C ARG A 69 3.388 7.146 -15.210 1.00 0.00 C ATOM 1076 O ARG A 69 3.254 8.316 -15.568 1.00 0.00 O ATOM 1077 CB ARG A 69 4.911 5.497 -16.429 1.00 0.00 C ATOM 1078 CG ARG A 69 5.136 6.139 -17.800 1.00 0.00 C ATOM 1079 CD ARG A 69 3.840 6.595 -18.472 1.00 0.00 C ATOM 1080 NE ARG A 69 4.117 6.912 -19.881 1.00 0.00 N ATOM 1081 CZ ARG A 69 3.510 6.350 -20.936 1.00 0.00 C ATOM 1082 NH1 ARG A 69 2.548 5.427 -20.807 1.00 0.00 N ATOM 1083 NH2 ARG A 69 3.926 6.665 -22.170 1.00 0.00 N ATOM 0 H ARG A 69 5.030 4.663 -14.246 1.00 0.00 H new ATOM 0 HA ARG A 69 5.475 7.290 -15.357 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.747 4.830 -16.218 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.015 4.878 -16.480 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.801 6.996 -17.688 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.643 5.425 -18.449 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.085 5.812 -18.404 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.439 7.470 -17.961 1.00 0.00 H new ATOM 0 HE ARG A 69 4.829 7.617 -20.071 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.251 5.126 -19.879 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.112 5.025 -21.637 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.694 7.324 -22.297 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.474 6.246 -22.983 1.00 0.00 H new ATOM 1097 N LEU A 70 2.373 6.387 -14.806 1.00 0.00 N ATOM 1098 CA LEU A 70 1.004 6.876 -14.589 1.00 0.00 C ATOM 1099 C LEU A 70 0.938 7.957 -13.508 1.00 0.00 C ATOM 1100 O LEU A 70 0.198 8.933 -13.630 1.00 0.00 O ATOM 1101 CB LEU A 70 0.116 5.715 -14.135 1.00 0.00 C ATOM 1102 CG LEU A 70 -0.434 4.871 -15.285 1.00 0.00 C ATOM 1103 CD1 LEU A 70 -0.952 3.535 -14.749 1.00 0.00 C ATOM 1104 CD2 LEU A 70 -1.598 5.588 -15.970 1.00 0.00 C ATOM 0 H LEU A 70 2.476 5.391 -14.614 1.00 0.00 H new ATOM 0 HA LEU A 70 0.664 7.301 -15.533 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.689 5.072 -13.467 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.718 6.113 -13.557 1.00 0.00 H new ATOM 0 HG LEU A 70 0.373 4.710 -15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.342 2.939 -15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.137 2.996 -14.266 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.746 3.717 -14.025 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.976 4.971 -16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.395 5.761 -15.247 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.254 6.543 -16.367 1.00 0.00 H new ATOM 1116 N LEU A 71 1.650 7.699 -12.415 1.00 0.00 N ATOM 1117 CA LEU A 71 1.661 8.535 -11.205 1.00 0.00 C ATOM 1118 C LEU A 71 3.095 8.962 -10.886 1.00 0.00 C ATOM 1119 O LEU A 71 3.712 8.412 -9.975 1.00 0.00 O ATOM 1120 CB LEU A 71 1.052 7.732 -10.054 1.00 0.00 C ATOM 1121 CG LEU A 71 -0.305 7.097 -10.366 1.00 0.00 C ATOM 1122 CD1 LEU A 71 -0.564 5.933 -9.406 1.00 0.00 C ATOM 1123 CD2 LEU A 71 -1.455 8.102 -10.284 1.00 0.00 C ATOM 0 H LEU A 71 2.254 6.881 -12.338 1.00 0.00 H new ATOM 0 HA LEU A 71 1.071 9.439 -11.358 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.750 6.944 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.941 8.387 -9.190 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.265 6.735 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.531 5.484 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.220 5.184 -9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.565 6.301 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.394 7.599 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.503 8.518 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.288 8.905 -11.002 1.00 0.00 H new ATOM 1135 N PRO A 72 3.635 9.958 -11.583 1.00 0.00 N ATOM 1136 CA PRO A 72 4.999 10.442 -11.323 1.00 0.00 C ATOM 1137 C PRO A 72 5.132 11.325 -10.082 1.00 0.00 C ATOM 1138 O PRO A 72 6.153 11.284 -9.397 1.00 0.00 O ATOM 1139 CB PRO A 72 5.408 11.199 -12.588 1.00 0.00 C ATOM 1140 CG PRO A 72 4.081 11.674 -13.184 1.00 0.00 C ATOM 1141 CD PRO A 72 3.097 10.563 -12.810 1.00 0.00 C ATOM 0 HA PRO A 72 5.651 9.596 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.064 12.038 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.948 10.554 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.777 12.635 -12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.150 11.801 -14.264 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.097 10.964 -12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.016 9.825 -13.608 1.00 0.00 H new ATOM 1149 N ASN A 73 4.037 11.988 -9.721 1.00 0.00 N ATOM 1150 CA ASN A 73 3.989 12.846 -8.529 1.00 0.00 C ATOM 1151 C ASN A 73 3.747 12.082 -7.224 1.00 0.00 C ATOM 1152 O ASN A 73 3.482 12.677 -6.181 1.00 0.00 O ATOM 1153 CB ASN A 73 2.900 13.906 -8.698 1.00 0.00 C ATOM 1154 CG ASN A 73 3.231 14.921 -9.794 1.00 0.00 C ATOM 1155 OD1 ASN A 73 4.371 15.336 -9.999 1.00 0.00 O ATOM 1156 ND2 ASN A 73 2.212 15.353 -10.530 1.00 0.00 N ATOM 0 H ASN A 73 3.160 11.950 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 73 4.975 13.304 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.955 13.416 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.759 14.430 -7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.372 16.034 -11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.270 15.003 -10.353 1.00 0.00 H new ATOM 1163 N LYS A 74 3.722 10.755 -7.314 1.00 0.00 N ATOM 1164 CA LYS A 74 3.427 9.880 -6.170 1.00 0.00 C ATOM 1165 C LYS A 74 4.566 8.891 -5.918 1.00 0.00 C ATOM 1166 O LYS A 74 5.096 8.338 -6.880 1.00 0.00 O ATOM 1167 CB LYS A 74 2.141 9.091 -6.428 1.00 0.00 C ATOM 1168 CG LYS A 74 0.903 9.933 -6.746 1.00 0.00 C ATOM 1169 CD LYS A 74 0.558 10.929 -5.636 1.00 0.00 C ATOM 1170 CE LYS A 74 -0.679 11.754 -5.993 1.00 0.00 C ATOM 1171 NZ LYS A 74 -0.918 12.732 -4.922 1.00 0.00 N ATOM 0 H LYS A 74 3.905 10.250 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 74 3.309 10.516 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.316 8.406 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.928 8.480 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.069 10.477 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.053 9.271 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.382 10.391 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.404 11.594 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.531 12.264 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.546 11.104 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.758 13.301 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.074 12.232 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.091 13.356 -4.831 1.00 0.00 H new ATOM 1185 N PRO A 75 4.980 8.713 -4.667 1.00 0.00 N ATOM 1186 CA PRO A 75 5.909 7.637 -4.290 1.00 0.00 C ATOM 1187 C PRO A 75 5.195 6.285 -4.317 1.00 0.00 C ATOM 1188 O PRO A 75 4.143 6.076 -3.714 1.00 0.00 O ATOM 1189 CB PRO A 75 6.424 7.998 -2.895 1.00 0.00 C ATOM 1190 CG PRO A 75 5.322 8.890 -2.323 1.00 0.00 C ATOM 1191 CD PRO A 75 4.761 9.631 -3.539 1.00 0.00 C ATOM 0 HA PRO A 75 6.742 7.546 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.579 7.110 -2.283 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.379 8.522 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.551 8.300 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.718 9.585 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.702 9.857 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.273 10.580 -3.696 1.00 0.00 H new ATOM 1199 N VAL A 76 5.699 5.475 -5.244 1.00 0.00 N ATOM 1200 CA VAL A 76 5.130 4.148 -5.519 1.00 0.00 C ATOM 1201 C VAL A 76 6.218 3.112 -5.232 1.00 0.00 C ATOM 1202 O VAL A 76 7.258 3.089 -5.888 1.00 0.00 O ATOM 1203 CB VAL A 76 4.637 4.069 -6.965 1.00 0.00 C ATOM 1204 CG1 VAL A 76 3.911 2.748 -7.228 1.00 0.00 C ATOM 1205 CG2 VAL A 76 3.674 5.196 -7.344 1.00 0.00 C ATOM 0 H VAL A 76 6.505 5.711 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 76 4.266 3.954 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 76 5.539 4.156 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.572 2.719 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.592 1.916 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.052 2.666 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.365 5.077 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.797 5.158 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.173 6.157 -7.222 1.00 0.00 H new ATOM 1215 N GLU A 77 5.920 2.313 -4.211 1.00 0.00 N ATOM 1216 CA GLU A 77 6.802 1.270 -3.668 1.00 0.00 C ATOM 1217 C GLU A 77 6.143 -0.111 -3.713 1.00 0.00 C ATOM 1218 O GLU A 77 4.927 -0.257 -3.823 1.00 0.00 O ATOM 1219 CB GLU A 77 7.146 1.610 -2.217 1.00 0.00 C ATOM 1220 CG GLU A 77 8.124 2.775 -2.049 1.00 0.00 C ATOM 1221 CD GLU A 77 9.584 2.333 -2.164 1.00 0.00 C ATOM 1222 OE1 GLU A 77 10.053 1.666 -1.217 1.00 0.00 O ATOM 1223 OE2 GLU A 77 10.234 2.748 -3.148 1.00 0.00 O ATOM 0 H GLU A 77 5.029 2.371 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 77 7.702 1.237 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.225 1.847 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.570 0.726 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.916 3.532 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.964 3.242 -1.077 1.00 0.00 H new ATOM 1230 N VAL A 78 6.995 -1.131 -3.664 1.00 0.00 N ATOM 1231 CA VAL A 78 6.571 -2.536 -3.582 1.00 0.00 C ATOM 1232 C VAL A 78 6.790 -3.034 -2.152 1.00 0.00 C ATOM 1233 O VAL A 78 7.821 -2.775 -1.533 1.00 0.00 O ATOM 1234 CB VAL A 78 7.353 -3.385 -4.587 1.00 0.00 C ATOM 1235 CG1 VAL A 78 6.964 -4.865 -4.550 1.00 0.00 C ATOM 1236 CG2 VAL A 78 7.149 -2.910 -6.027 1.00 0.00 C ATOM 0 H VAL A 78 8.008 -1.011 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 78 5.513 -2.621 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 78 8.394 -3.267 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.553 -5.414 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.158 -5.267 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.904 -4.969 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.723 -3.543 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.091 -2.970 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.487 -1.878 -6.121 1.00 0.00 H new ATOM 1246 N ILE A 79 5.799 -3.757 -1.638 1.00 0.00 N ATOM 1247 CA ILE A 79 5.863 -4.431 -0.334 1.00 0.00 C ATOM 1248 C ILE A 79 6.902 -5.551 -0.419 1.00 0.00 C ATOM 1249 O ILE A 79 6.851 -6.392 -1.316 1.00 0.00 O ATOM 1250 CB ILE A 79 4.492 -4.986 0.061 1.00 0.00 C ATOM 1251 CG1 ILE A 79 3.448 -3.869 0.115 1.00 0.00 C ATOM 1252 CG2 ILE A 79 4.550 -5.694 1.416 1.00 0.00 C ATOM 1253 CD1 ILE A 79 2.007 -4.363 -0.031 1.00 0.00 C ATOM 0 H ILE A 79 4.911 -3.897 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 79 6.155 -3.717 0.436 1.00 0.00 H new ATOM 0 HB ILE A 79 4.203 -5.710 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.546 -3.338 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.658 -3.150 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.561 -6.077 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.258 -6.522 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.872 -4.988 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.325 -3.514 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.891 -4.868 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.778 -5.059 0.776 1.00 0.00 H new ATOM 1265 N ASP A 80 7.797 -5.537 0.563 1.00 0.00 N ATOM 1266 CA ASP A 80 8.821 -6.574 0.759 1.00 0.00 C ATOM 1267 C ASP A 80 8.171 -7.948 0.938 1.00 0.00 C ATOM 1268 O ASP A 80 7.235 -8.143 1.713 1.00 0.00 O ATOM 1269 CB ASP A 80 9.680 -6.214 1.973 1.00 0.00 C ATOM 1270 CG ASP A 80 10.765 -7.252 2.263 1.00 0.00 C ATOM 1271 OD1 ASP A 80 11.755 -7.287 1.501 1.00 0.00 O ATOM 1272 OD2 ASP A 80 10.505 -8.099 3.146 1.00 0.00 O ATOM 0 H ASP A 80 7.837 -4.794 1.261 1.00 0.00 H new ATOM 0 HA ASP A 80 9.457 -6.623 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.148 -5.244 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.039 -6.112 2.848 1.00 0.00 H new ATOM 1277 N SER A 81 8.649 -8.868 0.104 1.00 0.00 N ATOM 1278 CA SER A 81 8.101 -10.226 -0.022 1.00 0.00 C ATOM 1279 C SER A 81 8.051 -11.001 1.297 1.00 0.00 C ATOM 1280 O SER A 81 7.094 -11.725 1.566 1.00 0.00 O ATOM 1281 CB SER A 81 8.904 -11.032 -1.044 1.00 0.00 C ATOM 1282 OG SER A 81 8.828 -10.396 -2.323 1.00 0.00 O ATOM 0 H SER A 81 9.440 -8.693 -0.515 1.00 0.00 H new ATOM 0 HA SER A 81 7.071 -10.096 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.944 -11.109 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.515 -12.048 -1.108 1.00 0.00 H new ATOM 0 HG SER A 81 9.344 -10.913 -2.976 1.00 0.00 H new ATOM 1288 N LEU A 82 9.061 -10.805 2.140 1.00 0.00 N ATOM 1289 CA LEU A 82 9.155 -11.426 3.469 1.00 0.00 C ATOM 1290 C LEU A 82 8.117 -10.856 4.438 1.00 0.00 C ATOM 1291 O LEU A 82 7.396 -11.627 5.070 1.00 0.00 O ATOM 1292 CB LEU A 82 10.594 -11.236 3.952 1.00 0.00 C ATOM 1293 CG LEU A 82 10.839 -11.755 5.371 1.00 0.00 C ATOM 1294 CD1 LEU A 82 10.682 -13.273 5.476 1.00 0.00 C ATOM 1295 CD2 LEU A 82 12.234 -11.355 5.854 1.00 0.00 C ATOM 0 H LEU A 82 9.853 -10.201 1.920 1.00 0.00 H new ATOM 0 HA LEU A 82 8.925 -12.490 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.269 -11.747 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.844 -10.176 3.914 1.00 0.00 H new ATOM 0 HG LEU A 82 10.080 -11.297 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.867 -13.588 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.670 -13.555 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.398 -13.760 4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.391 -11.732 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.985 -11.779 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.321 -10.268 5.855 1.00 0.00 H new ATOM 1307 N LEU A 83 7.983 -9.535 4.492 1.00 0.00 N ATOM 1308 CA LEU A 83 6.975 -8.856 5.321 1.00 0.00 C ATOM 1309 C LEU A 83 5.542 -9.234 4.941 1.00 0.00 C ATOM 1310 O LEU A 83 4.673 -9.369 5.801 1.00 0.00 O ATOM 1311 CB LEU A 83 7.081 -7.333 5.225 1.00 0.00 C ATOM 1312 CG LEU A 83 8.361 -6.746 5.823 1.00 0.00 C ATOM 1313 CD1 LEU A 83 8.355 -5.231 5.611 1.00 0.00 C ATOM 1314 CD2 LEU A 83 8.503 -7.041 7.318 1.00 0.00 C ATOM 0 H LEU A 83 8.572 -8.894 3.960 1.00 0.00 H new ATOM 0 HA LEU A 83 7.187 -9.189 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.019 -7.043 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.223 -6.889 5.730 1.00 0.00 H new ATOM 0 HG LEU A 83 9.206 -7.214 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.263 -4.801 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.313 -5.013 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.485 -4.798 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.429 -6.601 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.657 -6.613 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.525 -8.119 7.476 1.00 0.00 H new ATOM 1326 N TYR A 84 5.350 -9.436 3.640 1.00 0.00 N ATOM 1327 CA TYR A 84 4.090 -9.873 3.021 1.00 0.00 C ATOM 1328 C TYR A 84 3.735 -11.308 3.418 1.00 0.00 C ATOM 1329 O TYR A 84 2.597 -11.572 3.803 1.00 0.00 O ATOM 1330 CB TYR A 84 4.210 -9.749 1.502 1.00 0.00 C ATOM 1331 CG TYR A 84 2.920 -10.044 0.734 1.00 0.00 C ATOM 1332 CD1 TYR A 84 1.980 -9.033 0.571 1.00 0.00 C ATOM 1333 CD2 TYR A 84 2.704 -11.321 0.230 1.00 0.00 C ATOM 1334 CE1 TYR A 84 0.788 -9.307 -0.091 1.00 0.00 C ATOM 1335 CE2 TYR A 84 1.515 -11.600 -0.434 1.00 0.00 C ATOM 1336 CZ TYR A 84 0.569 -10.591 -0.576 1.00 0.00 C ATOM 1337 OH TYR A 84 -0.598 -10.889 -1.208 1.00 0.00 O ATOM 0 H TYR A 84 6.094 -9.296 2.956 1.00 0.00 H new ATOM 0 HA TYR A 84 3.284 -9.233 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.539 -8.739 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.987 -10.430 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.174 -8.043 0.955 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.453 -12.089 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.045 -8.535 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.329 -12.586 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.589 -11.829 -1.485 1.00 0.00 H new ATOM 1347 N GLY A 85 4.732 -12.187 3.402 1.00 0.00 N ATOM 1348 CA GLY A 85 4.612 -13.605 3.773 1.00 0.00 C ATOM 1349 C GLY A 85 4.266 -13.783 5.253 1.00 0.00 C ATOM 1350 O GLY A 85 3.337 -14.509 5.607 1.00 0.00 O ATOM 0 H GLY A 85 5.679 -11.930 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.842 -14.076 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.549 -14.117 3.556 1.00 0.00 H new ATOM 1354 N LYS A 86 5.025 -13.090 6.096 1.00 0.00 N ATOM 1355 CA LYS A 86 4.829 -13.070 7.553 1.00 0.00 C ATOM 1356 C LYS A 86 3.504 -12.421 7.955 1.00 0.00 C ATOM 1357 O LYS A 86 2.972 -12.699 9.029 1.00 0.00 O ATOM 1358 CB LYS A 86 5.952 -12.281 8.229 1.00 0.00 C ATOM 1359 CG LYS A 86 7.338 -12.903 8.038 1.00 0.00 C ATOM 1360 CD LYS A 86 8.419 -12.097 8.761 1.00 0.00 C ATOM 1361 CE LYS A 86 8.496 -12.420 10.255 1.00 0.00 C ATOM 1362 NZ LYS A 86 9.522 -11.580 10.887 1.00 0.00 N ATOM 0 H LYS A 86 5.809 -12.515 5.787 1.00 0.00 H new ATOM 0 HA LYS A 86 4.828 -14.111 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.961 -11.266 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.741 -12.205 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.334 -13.926 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.571 -12.955 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.386 -12.298 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.220 -11.033 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.528 -12.246 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.735 -13.474 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.574 -11.800 11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.445 -11.767 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.275 -10.577 10.762 1.00 0.00 H new ATOM 1376 N VAL A 87 3.028 -11.529 7.091 1.00 0.00 N ATOM 1377 CA VAL A 87 1.862 -10.649 7.253 1.00 0.00 C ATOM 1378 C VAL A 87 2.087 -9.788 8.498 1.00 0.00 C ATOM 1379 O VAL A 87 1.422 -9.906 9.527 1.00 0.00 O ATOM 1380 CB VAL A 87 0.537 -11.414 7.302 1.00 0.00 C ATOM 1381 CG1 VAL A 87 -0.660 -10.468 7.204 1.00 0.00 C ATOM 1382 CG2 VAL A 87 0.400 -12.449 6.183 1.00 0.00 C ATOM 0 H VAL A 87 3.479 -11.387 6.187 1.00 0.00 H new ATOM 0 HA VAL A 87 1.773 -10.009 6.375 1.00 0.00 H new ATOM 0 HB VAL A 87 0.545 -11.928 8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.584 -11.045 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.637 -9.765 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.614 -9.919 6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.560 -12.957 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.457 -11.949 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.206 -13.179 6.262 1.00 0.00 H new ATOM 1392 N ASP A 88 3.124 -8.965 8.374 1.00 0.00 N ATOM 1393 CA ASP A 88 3.544 -8.002 9.402 1.00 0.00 C ATOM 1394 C ASP A 88 3.088 -6.604 8.977 1.00 0.00 C ATOM 1395 O ASP A 88 3.743 -5.877 8.232 1.00 0.00 O ATOM 1396 CB ASP A 88 5.058 -8.056 9.617 1.00 0.00 C ATOM 1397 CG ASP A 88 5.529 -7.276 10.847 1.00 0.00 C ATOM 1398 OD1 ASP A 88 4.743 -6.475 11.398 1.00 0.00 O ATOM 1399 OD2 ASP A 88 6.699 -7.515 11.217 1.00 0.00 O ATOM 0 H ASP A 88 3.712 -8.944 7.541 1.00 0.00 H new ATOM 0 HA ASP A 88 3.081 -8.256 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.366 -9.097 9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.557 -7.660 8.733 1.00 0.00 H new ATOM 1404 N GLY A 89 1.864 -6.320 9.416 1.00 0.00 N ATOM 1405 CA GLY A 89 1.159 -5.066 9.115 1.00 0.00 C ATOM 1406 C GLY A 89 1.929 -3.826 9.574 1.00 0.00 C ATOM 1407 O GLY A 89 2.101 -2.882 8.805 1.00 0.00 O ATOM 0 H GLY A 89 1.323 -6.959 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.984 -5.002 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.181 -5.080 9.597 1.00 0.00 H new ATOM 1411 N LEU A 90 2.507 -3.910 10.769 1.00 0.00 N ATOM 1412 CA LEU A 90 3.278 -2.818 11.382 1.00 0.00 C ATOM 1413 C LEU A 90 4.567 -2.523 10.612 1.00 0.00 C ATOM 1414 O LEU A 90 4.950 -1.366 10.449 1.00 0.00 O ATOM 1415 CB LEU A 90 3.566 -3.204 12.834 1.00 0.00 C ATOM 1416 CG LEU A 90 4.274 -2.093 13.612 1.00 0.00 C ATOM 1417 CD1 LEU A 90 3.408 -0.840 13.761 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.696 -2.604 14.990 1.00 0.00 C ATOM 0 H LEU A 90 2.456 -4.746 11.351 1.00 0.00 H new ATOM 0 HA LEU A 90 2.696 -1.897 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.629 -3.450 13.333 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.182 -4.103 12.851 1.00 0.00 H new ATOM 0 HG LEU A 90 5.156 -1.810 13.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.957 -0.083 14.320 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.157 -0.451 12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.492 -1.092 14.295 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.199 -1.806 15.536 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.814 -2.923 15.545 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.376 -3.448 14.873 1.00 0.00 H new ATOM 1430 N GLY A 91 5.208 -3.589 10.141 1.00 0.00 N ATOM 1431 CA GLY A 91 6.413 -3.548 9.298 1.00 0.00 C ATOM 1432 C GLY A 91 6.178 -2.791 7.988 1.00 0.00 C ATOM 1433 O GLY A 91 6.923 -1.871 7.653 1.00 0.00 O ATOM 0 H GLY A 91 4.897 -4.540 10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.224 -3.073 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.733 -4.566 9.075 1.00 0.00 H new ATOM 1437 N VAL A 92 5.023 -3.055 7.385 1.00 0.00 N ATOM 1438 CA VAL A 92 4.577 -2.416 6.138 1.00 0.00 C ATOM 1439 C VAL A 92 4.115 -0.979 6.391 1.00 0.00 C ATOM 1440 O VAL A 92 4.347 -0.096 5.566 1.00 0.00 O ATOM 1441 CB VAL A 92 3.468 -3.250 5.494 1.00 0.00 C ATOM 1442 CG1 VAL A 92 2.982 -2.673 4.163 1.00 0.00 C ATOM 1443 CG2 VAL A 92 3.923 -4.683 5.208 1.00 0.00 C ATOM 0 H VAL A 92 4.353 -3.731 7.752 1.00 0.00 H new ATOM 0 HA VAL A 92 5.420 -2.368 5.448 1.00 0.00 H new ATOM 0 HB VAL A 92 2.659 -3.234 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.196 -3.309 3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.590 -1.669 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.814 -2.630 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.105 -5.240 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.775 -4.665 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.214 -5.165 6.141 1.00 0.00 H new ATOM 1453 N LEU A 93 3.529 -0.724 7.558 1.00 0.00 N ATOM 1454 CA LEU A 93 3.092 0.616 7.975 1.00 0.00 C ATOM 1455 C LEU A 93 4.291 1.559 8.103 1.00 0.00 C ATOM 1456 O LEU A 93 4.271 2.700 7.645 1.00 0.00 O ATOM 1457 CB LEU A 93 2.399 0.557 9.337 1.00 0.00 C ATOM 1458 CG LEU A 93 1.116 1.383 9.451 1.00 0.00 C ATOM 1459 CD1 LEU A 93 0.570 1.242 10.873 1.00 0.00 C ATOM 1460 CD2 LEU A 93 1.285 2.872 9.145 1.00 0.00 C ATOM 0 H LEU A 93 3.340 -1.447 8.252 1.00 0.00 H new ATOM 0 HA LEU A 93 2.402 0.984 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.164 -0.483 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.100 0.897 10.099 1.00 0.00 H new ATOM 0 HG LEU A 93 0.434 0.990 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.345 1.826 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.355 0.193 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.310 1.607 11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.325 3.377 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.002 3.307 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.649 2.995 8.125 1.00 0.00 H new ATOM 1472 N LYS A 94 5.350 1.035 8.714 1.00 0.00 N ATOM 1473 CA LYS A 94 6.619 1.750 8.910 1.00 0.00 C ATOM 1474 C LYS A 94 7.379 1.987 7.603 1.00 0.00 C ATOM 1475 O LYS A 94 7.980 3.047 7.437 1.00 0.00 O ATOM 1476 CB LYS A 94 7.511 0.969 9.878 1.00 0.00 C ATOM 1477 CG LYS A 94 7.037 1.173 11.319 1.00 0.00 C ATOM 1478 CD LYS A 94 7.812 0.287 12.296 1.00 0.00 C ATOM 1479 CE LYS A 94 7.424 0.593 13.745 1.00 0.00 C ATOM 1480 NZ LYS A 94 8.124 -0.341 14.639 1.00 0.00 N ATOM 0 H LYS A 94 5.356 0.089 9.094 1.00 0.00 H new ATOM 0 HA LYS A 94 6.368 2.727 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.490 -0.092 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.545 1.299 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.160 2.219 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.973 0.948 11.388 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.613 -0.762 12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.882 0.443 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.686 1.621 13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.346 0.499 13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.864 -0.138 15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.852 -1.317 14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.151 -0.230 14.522 1.00 0.00 H new ATOM 1494 N ALA A 95 7.272 1.033 6.683 1.00 0.00 N ATOM 1495 CA ALA A 95 7.847 1.144 5.335 1.00 0.00 C ATOM 1496 C ALA A 95 7.106 2.167 4.471 1.00 0.00 C ATOM 1497 O ALA A 95 7.721 2.993 3.798 1.00 0.00 O ATOM 1498 CB ALA A 95 7.786 -0.229 4.661 1.00 0.00 C ATOM 0 H ALA A 95 6.782 0.154 6.847 1.00 0.00 H new ATOM 0 HA ALA A 95 8.877 1.486 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.210 -0.162 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.356 -0.948 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.748 -0.556 4.595 1.00 0.00 H new ATOM 1504 N ALA A 96 5.798 2.245 4.698 1.00 0.00 N ATOM 1505 CA ALA A 96 4.907 3.207 4.032 1.00 0.00 C ATOM 1506 C ALA A 96 5.131 4.634 4.538 1.00 0.00 C ATOM 1507 O ALA A 96 5.282 5.568 3.753 1.00 0.00 O ATOM 1508 CB ALA A 96 3.454 2.799 4.279 1.00 0.00 C ATOM 0 H ALA A 96 5.314 1.636 5.358 1.00 0.00 H new ATOM 0 HA ALA A 96 5.130 3.194 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.788 3.509 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.283 1.801 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.254 2.796 5.350 1.00 0.00 H new ATOM 1514 N VAL A 97 5.295 4.774 5.850 1.00 0.00 N ATOM 1515 CA VAL A 97 5.547 6.072 6.492 1.00 0.00 C ATOM 1516 C VAL A 97 6.954 6.583 6.172 1.00 0.00 C ATOM 1517 O VAL A 97 7.168 7.789 6.057 1.00 0.00 O ATOM 1518 CB VAL A 97 5.227 5.915 7.980 1.00 0.00 C ATOM 1519 CG1 VAL A 97 6.418 5.682 8.912 1.00 0.00 C ATOM 1520 CG2 VAL A 97 4.419 7.122 8.459 1.00 0.00 C ATOM 0 H VAL A 97 5.258 3.992 6.504 1.00 0.00 H new ATOM 0 HA VAL A 97 4.899 6.856 6.099 1.00 0.00 H new ATOM 0 HB VAL A 97 4.653 4.991 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.064 5.587 9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.935 4.768 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.105 6.525 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.191 7.010 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.999 8.032 8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.490 7.186 7.893 1.00 0.00 H new ATOM 1530 N ALA A 98 7.874 5.639 5.997 1.00 0.00 N ATOM 1531 CA ALA A 98 9.258 5.916 5.590 1.00 0.00 C ATOM 1532 C ALA A 98 9.306 6.483 4.170 1.00 0.00 C ATOM 1533 O ALA A 98 10.028 7.447 3.920 1.00 0.00 O ATOM 1534 CB ALA A 98 10.073 4.621 5.629 1.00 0.00 C ATOM 0 H ALA A 98 7.682 4.647 6.134 1.00 0.00 H new ATOM 0 HA ALA A 98 9.676 6.649 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.100 4.828 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.067 4.218 6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.633 3.894 4.946 1.00 0.00 H new ATOM 1540 N ALA A 99 8.410 5.997 3.316 1.00 0.00 N ATOM 1541 CA ALA A 99 8.266 6.473 1.932 1.00 0.00 C ATOM 1542 C ALA A 99 7.605 7.850 1.833 1.00 0.00 C ATOM 1543 O ALA A 99 8.021 8.672 1.018 1.00 0.00 O ATOM 1544 CB ALA A 99 7.445 5.448 1.147 1.00 0.00 C ATOM 0 H ALA A 99 7.755 5.255 3.561 1.00 0.00 H new ATOM 0 HA ALA A 99 9.267 6.581 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.329 5.786 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.958 4.486 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.462 5.340 1.606 1.00 0.00 H new ATOM 1550 N ILE A 100 6.690 8.142 2.752 1.00 0.00 N ATOM 1551 CA ILE A 100 6.048 9.461 2.853 1.00 0.00 C ATOM 1552 C ILE A 100 7.084 10.478 3.339 1.00 0.00 C ATOM 1553 O ILE A 100 7.229 11.559 2.771 1.00 0.00 O ATOM 1554 CB ILE A 100 4.840 9.406 3.789 1.00 0.00 C ATOM 1555 CG1 ILE A 100 3.798 8.398 3.300 1.00 0.00 C ATOM 1556 CG2 ILE A 100 4.177 10.781 3.898 1.00 0.00 C ATOM 1557 CD1 ILE A 100 2.792 7.961 4.367 1.00 0.00 C ATOM 0 H ILE A 100 6.368 7.474 3.452 1.00 0.00 H new ATOM 0 HA ILE A 100 5.680 9.767 1.874 1.00 0.00 H new ATOM 0 HB ILE A 100 5.208 9.093 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.254 8.834 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.314 7.516 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.320 10.720 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.895 11.501 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.844 11.103 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.091 7.247 3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.322 7.493 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.246 8.831 4.730 1.00 0.00 H new ATOM 1569 N LYS A 101 7.794 10.116 4.403 1.00 0.00 N ATOM 1570 CA LYS A 101 8.859 10.943 4.987 1.00 0.00 C ATOM 1571 C LYS A 101 9.996 11.230 4.004 1.00 0.00 C ATOM 1572 O LYS A 101 10.482 12.360 3.969 1.00 0.00 O ATOM 1573 CB LYS A 101 9.465 10.282 6.226 1.00 0.00 C ATOM 1574 CG LYS A 101 8.565 10.345 7.462 1.00 0.00 C ATOM 1575 CD LYS A 101 9.315 9.933 8.730 1.00 0.00 C ATOM 1576 CE LYS A 101 10.277 11.020 9.213 1.00 0.00 C ATOM 1577 NZ LYS A 101 11.043 10.557 10.379 1.00 0.00 N ATOM 0 H LYS A 101 7.649 9.233 4.893 1.00 0.00 H new ATOM 0 HA LYS A 101 8.376 11.883 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.683 9.238 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.416 10.764 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.179 11.358 7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.705 9.691 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.596 9.710 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.873 9.016 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.960 11.292 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.717 11.918 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.690 11.310 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.389 10.320 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.593 9.713 10.120 1.00 0.00 H new ATOM 1591 N LYS A 102 10.345 10.240 3.188 1.00 0.00 N ATOM 1592 CA LYS A 102 11.431 10.318 2.201 1.00 0.00 C ATOM 1593 C LYS A 102 11.045 11.247 1.047 1.00 0.00 C ATOM 1594 O LYS A 102 11.858 12.065 0.620 1.00 0.00 O ATOM 1595 CB LYS A 102 11.670 8.896 1.689 1.00 0.00 C ATOM 1596 CG LYS A 102 13.080 8.706 1.126 1.00 0.00 C ATOM 1597 CD LYS A 102 13.281 7.226 0.790 1.00 0.00 C ATOM 1598 CE LYS A 102 14.723 6.895 0.405 1.00 0.00 C ATOM 1599 NZ LYS A 102 15.069 7.519 -0.881 1.00 0.00 N ATOM 0 H LYS A 102 9.872 9.336 3.190 1.00 0.00 H new ATOM 0 HA LYS A 102 12.336 10.725 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.508 8.188 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 102 10.939 8.664 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.216 9.317 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.824 9.033 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.991 6.621 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.619 6.952 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.403 7.247 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.849 5.814 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.052 7.284 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.432 7.164 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.969 8.551 -0.804 1.00 0.00 H new ATOM 1613 N ALA A 103 9.799 11.093 0.607 1.00 0.00 N ATOM 1614 CA ALA A 103 9.169 11.919 -0.433 1.00 0.00 C ATOM 1615 C ALA A 103 9.096 13.392 -0.025 1.00 0.00 C ATOM 1616 O ALA A 103 9.237 14.271 -0.874 1.00 0.00 O ATOM 1617 CB ALA A 103 7.759 11.416 -0.748 1.00 0.00 C ATOM 0 H ALA A 103 9.177 10.371 0.971 1.00 0.00 H new ATOM 0 HA ALA A 103 9.795 11.836 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.313 12.043 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.811 10.386 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.147 11.460 0.153 1.00 0.00 H new ATOM 1623 N ALA A 104 8.803 13.634 1.250 1.00 0.00 N ATOM 1624 CA ALA A 104 8.896 14.964 1.868 1.00 0.00 C ATOM 1625 C ALA A 104 10.348 15.443 1.814 1.00 0.00 C ATOM 1626 O ALA A 104 10.643 16.313 0.996 1.00 0.00 O ATOM 1627 CB ALA A 104 8.355 14.868 3.296 1.00 0.00 C ATOM 0 H ALA A 104 8.490 12.908 1.894 1.00 0.00 H new ATOM 0 HA ALA A 104 8.298 15.700 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.415 15.846 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.316 14.540 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.948 14.150 3.862 1.00 0.00 H new ATOM 1633 N ALA A 105 11.209 14.780 2.580 1.00 0.00 N ATOM 1634 CA ALA A 105 12.677 14.864 2.592 1.00 0.00 C ATOM 1635 C ALA A 105 13.167 14.321 3.936 1.00 0.00 C ATOM 1636 O ALA A 105 12.951 14.927 4.984 1.00 0.00 O ATOM 1637 CB ALA A 105 13.254 16.268 2.403 1.00 0.00 C ATOM 0 H ALA A 105 10.874 14.109 3.271 1.00 0.00 H new ATOM 0 HA ALA A 105 13.022 14.284 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 105 14.343 16.220 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.930 16.668 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.901 16.917 3.204 1.00 0.00 H new ATOM 1643 N ASN A 106 13.589 13.060 3.902 1.00 0.00 N ATOM 1644 CA ASN A 106 14.166 12.349 5.052 1.00 0.00 C ATOM 1645 C ASN A 106 14.953 11.126 4.579 1.00 0.00 C ATOM 1646 O ASN A 106 14.948 10.854 3.359 1.00 0.00 O ATOM 1647 CB ASN A 106 13.082 11.890 6.029 1.00 0.00 C ATOM 1648 CG ASN A 106 13.476 12.129 7.487 1.00 0.00 C ATOM 1649 OD1 ASN A 106 13.639 11.230 8.311 1.00 0.00 O ATOM 1650 ND2 ASN A 106 13.387 13.390 7.900 1.00 0.00 N ATOM 1651 OXT ASN A 106 15.488 10.421 5.462 1.00 0.00 O ATOM 0 H ASN A 106 13.541 12.487 3.059 1.00 0.00 H new ATOM 0 HA ASN A 106 14.829 13.046 5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 106 12.154 12.420 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 106 12.885 10.829 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.454 13.607 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.252 14.140 7.222 1.00 0.00 H new TER 1658 ASN A 106