USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 GLN : amide:sc= -2.98! C(o=-3.3!,f=-6.8!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -111:sc= -0.362 (180deg=0) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= -0.762 USER MOD Set 2.2: A 17 LYS NZ :NH3+ -152:sc= -0.0565 (180deg=-0.525) USER MOD Set 3.1: A 4 LYS NZ :NH3+ -117:sc= 0.891 (180deg=-0.0185) USER MOD Set 3.2: A 5 SER OG : rot -123:sc= -1.1! USER MOD Set 3.3: A 47 TYR OH : rot 180:sc= -5.43! USER MOD Single : A 1 MET CE :methyl 139:sc= -25.2! (180deg=-29.7!) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0161 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.15) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.6) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.65 (180deg=-0.839) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 28 SER OG : rot 76:sc= 0.721 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 87:sc= -0.437 USER MOD Single : A 39 THR OG1 : rot 62:sc= 0.203 USER MOD Single : A 41 SER OG : rot -97:sc= 1.32 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 43 SER OG : rot 170:sc= -1.1 USER MOD Single : A 45 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 152:sc= 0.401 USER MOD Single : A 55 SER OG : rot -21:sc= 0.312 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 58:sc= -0.0802 USER MOD Single : A 73 MET CE :methyl -114:sc= -11.2! (180deg=-16.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.687 F(o=-1.2,f=-0.69) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= -0.752 (180deg=-1.65!) USER MOD Single : A 86 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.3!) USER MOD Single : A 88 ASN :FLIP amide:sc= -3.21 F(o=-5.1,f=-3.2) USER MOD Single : A 91 THR OG1 : rot 81:sc= -1.74! USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= -1.09 (180deg=-4.29!) USER MOD Single : A 96 LYS NZ :NH3+ -144:sc= -0.572 (180deg=-1.88!) USER MOD Single : A 97 TYR OH : rot 30:sc= -2.81! USER MOD Single : A 101 LYS NZ :NH3+ -120:sc= 0.922 (180deg=-1.96!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.158 5.636 14.723 1.00 0.00 N ATOM 2 CA MET A 1 4.192 6.089 13.305 1.00 0.00 C ATOM 3 C MET A 1 3.789 7.542 13.178 1.00 0.00 C ATOM 4 O MET A 1 2.960 8.034 13.943 1.00 0.00 O ATOM 5 CB MET A 1 3.217 5.240 12.488 1.00 0.00 C ATOM 6 CG MET A 1 3.455 5.306 10.998 1.00 0.00 C ATOM 7 SD MET A 1 4.094 3.779 10.322 1.00 0.00 S ATOM 8 CE MET A 1 3.010 2.606 11.115 1.00 0.00 C ATOM 0 H1 MET A 1 5.130 5.543 15.081 1.00 0.00 H new ATOM 0 H2 MET A 1 3.643 6.333 15.298 1.00 0.00 H new ATOM 0 H3 MET A 1 3.678 4.715 14.782 1.00 0.00 H new ATOM 0 HA MET A 1 5.212 5.978 12.937 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.292 4.202 12.813 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.199 5.567 12.699 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.519 5.555 10.497 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.156 6.113 10.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.724 1.834 10.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.525 2.147 11.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.117 3.119 11.471 1.00 0.00 H new ATOM 20 N ASP A 2 4.341 8.218 12.180 1.00 0.00 N ATOM 21 CA ASP A 2 3.979 9.601 11.939 1.00 0.00 C ATOM 22 C ASP A 2 2.492 9.653 11.648 1.00 0.00 C ATOM 23 O ASP A 2 1.836 8.616 11.627 1.00 0.00 O ATOM 24 CB ASP A 2 4.784 10.182 10.781 1.00 0.00 C ATOM 25 CG ASP A 2 5.892 11.104 11.254 1.00 0.00 C ATOM 26 OD1 ASP A 2 6.991 10.600 11.564 1.00 0.00 O ATOM 27 OD2 ASP A 2 5.658 12.329 11.316 1.00 0.00 O ATOM 0 H ASP A 2 5.031 7.835 11.534 1.00 0.00 H new ATOM 0 HA ASP A 2 4.207 10.204 12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.216 9.369 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.116 10.731 10.117 1.00 0.00 H new ATOM 32 N ILE A 3 1.951 10.837 11.451 1.00 0.00 N ATOM 33 CA ILE A 3 0.527 10.974 11.197 1.00 0.00 C ATOM 34 C ILE A 3 0.122 10.406 9.847 1.00 0.00 C ATOM 35 O ILE A 3 -0.708 9.501 9.769 1.00 0.00 O ATOM 36 CB ILE A 3 0.086 12.444 11.315 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.135 12.817 12.787 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.174 12.694 10.504 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.532 11.871 13.770 1.00 0.00 C ATOM 0 H ILE A 3 2.470 11.715 11.461 1.00 0.00 H new ATOM 0 HA ILE A 3 0.015 10.390 11.961 1.00 0.00 H new ATOM 0 HB ILE A 3 0.878 13.075 10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.242 13.826 12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.206 12.839 12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.468 13.739 10.602 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.983 12.467 9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.977 12.055 10.873 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.329 12.202 14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.138 10.864 13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.608 11.866 13.597 1.00 0.00 H new ATOM 51 N LYS A 4 0.703 10.937 8.791 1.00 0.00 N ATOM 52 CA LYS A 4 0.384 10.469 7.445 1.00 0.00 C ATOM 53 C LYS A 4 0.504 8.949 7.382 1.00 0.00 C ATOM 54 O LYS A 4 -0.266 8.275 6.696 1.00 0.00 O ATOM 55 CB LYS A 4 1.292 11.140 6.402 1.00 0.00 C ATOM 56 CG LYS A 4 2.662 10.495 6.240 1.00 0.00 C ATOM 57 CD LYS A 4 3.661 11.048 7.240 1.00 0.00 C ATOM 58 CE LYS A 4 4.542 9.953 7.810 1.00 0.00 C ATOM 59 NZ LYS A 4 5.354 9.287 6.756 1.00 0.00 N ATOM 0 H LYS A 4 1.394 11.687 8.830 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.644 10.746 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.784 11.129 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.428 12.186 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.575 9.416 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.028 10.665 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.283 11.801 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.129 11.546 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.205 10.377 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.920 9.211 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.084 8.285 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.183 9.751 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.363 9.359 6.998 1.00 0.00 H new ATOM 73 N SER A 5 1.470 8.425 8.127 1.00 0.00 N ATOM 74 CA SER A 5 1.703 6.991 8.194 1.00 0.00 C ATOM 75 C SER A 5 0.799 6.343 9.233 1.00 0.00 C ATOM 76 O SER A 5 0.487 5.159 9.143 1.00 0.00 O ATOM 77 CB SER A 5 3.175 6.713 8.497 1.00 0.00 C ATOM 78 OG SER A 5 4.010 7.229 7.477 1.00 0.00 O ATOM 0 H SER A 5 2.109 8.979 8.697 1.00 0.00 H new ATOM 0 HA SER A 5 1.461 6.552 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.444 7.161 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.334 5.639 8.593 1.00 0.00 H new ATOM 0 HG SER A 5 4.555 6.505 7.103 1.00 0.00 H new ATOM 84 N GLN A 6 0.390 7.128 10.220 1.00 0.00 N ATOM 85 CA GLN A 6 -0.471 6.646 11.287 1.00 0.00 C ATOM 86 C GLN A 6 -1.801 6.156 10.770 1.00 0.00 C ATOM 87 O GLN A 6 -2.277 5.099 11.171 1.00 0.00 O ATOM 88 CB GLN A 6 -0.725 7.779 12.273 1.00 0.00 C ATOM 89 CG GLN A 6 -0.532 7.387 13.710 1.00 0.00 C ATOM 90 CD GLN A 6 -1.341 8.249 14.651 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.819 8.791 15.626 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.629 8.376 14.362 1.00 0.00 N ATOM 0 H GLN A 6 0.645 8.112 10.302 1.00 0.00 H new ATOM 0 HA GLN A 6 0.037 5.809 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.057 8.608 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.744 8.143 12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.817 6.343 13.841 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.524 7.464 13.967 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.016 7.908 13.543 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.232 8.942 14.959 1.00 0.00 H new ATOM 101 N THR A 7 -2.409 6.933 9.901 1.00 0.00 N ATOM 102 CA THR A 7 -3.692 6.560 9.358 1.00 0.00 C ATOM 103 C THR A 7 -3.505 5.539 8.270 1.00 0.00 C ATOM 104 O THR A 7 -4.288 4.604 8.153 1.00 0.00 O ATOM 105 CB THR A 7 -4.474 7.764 8.860 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.706 8.951 8.959 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.746 7.960 9.647 1.00 0.00 C ATOM 0 H THR A 7 -2.038 7.819 9.559 1.00 0.00 H new ATOM 0 HA THR A 7 -4.285 6.118 10.159 1.00 0.00 H new ATOM 0 HB THR A 7 -4.716 7.565 7.816 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.232 9.710 8.631 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.280 8.830 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.375 7.075 9.548 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.503 8.117 10.698 1.00 0.00 H new ATOM 115 N LEU A 8 -2.430 5.680 7.507 1.00 0.00 N ATOM 116 CA LEU A 8 -2.135 4.704 6.481 1.00 0.00 C ATOM 117 C LEU A 8 -1.843 3.390 7.182 1.00 0.00 C ATOM 118 O LEU A 8 -2.215 2.314 6.715 1.00 0.00 O ATOM 119 CB LEU A 8 -0.946 5.150 5.613 1.00 0.00 C ATOM 120 CG LEU A 8 0.379 4.427 5.887 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.368 3.036 5.270 1.00 0.00 C ATOM 122 CD2 LEU A 8 1.554 5.238 5.361 1.00 0.00 C ATOM 0 H LEU A 8 -1.762 6.447 7.580 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.983 4.594 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.209 5.005 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.793 6.219 5.758 1.00 0.00 H new ATOM 0 HG LEU A 8 0.494 4.322 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.316 2.539 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.447 2.454 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.227 3.117 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.484 4.707 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.446 5.379 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.575 6.210 5.854 1.00 0.00 H new ATOM 134 N TYR A 9 -1.206 3.509 8.345 1.00 0.00 N ATOM 135 CA TYR A 9 -0.896 2.366 9.165 1.00 0.00 C ATOM 136 C TYR A 9 -2.176 1.828 9.761 1.00 0.00 C ATOM 137 O TYR A 9 -2.593 0.711 9.481 1.00 0.00 O ATOM 138 CB TYR A 9 0.031 2.780 10.276 1.00 0.00 C ATOM 139 CG TYR A 9 0.285 1.698 11.284 1.00 0.00 C ATOM 140 CD1 TYR A 9 0.196 0.347 10.951 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.655 2.043 12.564 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.482 -0.623 11.895 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.938 1.094 13.506 1.00 0.00 C ATOM 144 CZ TYR A 9 0.856 -0.244 13.173 1.00 0.00 C ATOM 145 OH TYR A 9 1.144 -1.203 14.115 1.00 0.00 O ATOM 0 H TYR A 9 -0.897 4.400 8.734 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.415 1.599 8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.982 3.094 9.846 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.390 3.647 10.785 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.097 0.057 9.953 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.723 3.087 12.830 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.414 -1.669 11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.224 1.389 14.505 1.00 0.00 H new ATOM 0 HH TYR A 9 1.390 -0.769 14.959 1.00 0.00 H new ATOM 155 N LEU A 10 -2.813 2.658 10.576 1.00 0.00 N ATOM 156 CA LEU A 10 -4.073 2.285 11.190 1.00 0.00 C ATOM 157 C LEU A 10 -5.016 1.770 10.113 1.00 0.00 C ATOM 158 O LEU A 10 -5.829 0.881 10.356 1.00 0.00 O ATOM 159 CB LEU A 10 -4.692 3.483 11.915 1.00 0.00 C ATOM 160 CG LEU A 10 -4.211 3.685 13.354 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.834 4.936 13.952 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.543 2.464 14.199 1.00 0.00 C ATOM 0 H LEU A 10 -2.477 3.589 10.824 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.899 1.500 11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.475 4.386 11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.775 3.364 11.923 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.129 3.813 13.344 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.481 5.065 14.975 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.549 5.804 13.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.920 4.837 13.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.195 2.622 15.220 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.622 2.307 14.204 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.051 1.587 13.780 1.00 0.00 H new ATOM 174 N ASN A 11 -4.861 2.309 8.902 1.00 0.00 N ATOM 175 CA ASN A 11 -5.663 1.875 7.773 1.00 0.00 C ATOM 176 C ASN A 11 -5.285 0.444 7.420 1.00 0.00 C ATOM 177 O ASN A 11 -6.118 -0.343 6.974 1.00 0.00 O ATOM 178 CB ASN A 11 -5.444 2.782 6.559 1.00 0.00 C ATOM 179 CG ASN A 11 -6.375 3.979 6.551 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.045 4.268 7.543 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.421 4.685 5.427 1.00 0.00 N ATOM 0 H ASN A 11 -4.188 3.044 8.686 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.716 1.930 8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.411 3.130 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.593 2.204 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.028 5.502 5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.849 4.410 4.628 1.00 0.00 H new ATOM 188 N LEU A 12 -4.010 0.114 7.639 1.00 0.00 N ATOM 189 CA LEU A 12 -3.505 -1.220 7.365 1.00 0.00 C ATOM 190 C LEU A 12 -4.220 -2.241 8.232 1.00 0.00 C ATOM 191 O LEU A 12 -4.551 -3.337 7.780 1.00 0.00 O ATOM 192 CB LEU A 12 -1.991 -1.299 7.583 1.00 0.00 C ATOM 193 CG LEU A 12 -1.146 -0.945 6.357 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.331 -1.135 6.655 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.562 -1.787 5.160 1.00 0.00 C ATOM 0 H LEU A 12 -3.311 0.760 8.007 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.702 -1.446 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.720 -0.629 8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.736 -2.310 7.903 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.316 0.104 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.916 -0.879 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.621 -0.488 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.517 -2.175 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.950 -1.521 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.423 -2.843 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.611 -1.601 4.931 1.00 0.00 H new ATOM 207 N SER A 13 -4.472 -1.864 9.478 1.00 0.00 N ATOM 208 CA SER A 13 -5.163 -2.734 10.408 1.00 0.00 C ATOM 209 C SER A 13 -6.653 -2.741 10.115 1.00 0.00 C ATOM 210 O SER A 13 -7.319 -3.770 10.226 1.00 0.00 O ATOM 211 CB SER A 13 -4.910 -2.285 11.847 1.00 0.00 C ATOM 212 OG SER A 13 -5.476 -3.194 12.776 1.00 0.00 O ATOM 0 H SER A 13 -4.206 -0.959 9.865 1.00 0.00 H new ATOM 0 HA SER A 13 -4.778 -3.746 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.837 -2.204 12.022 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.334 -1.293 12.001 1.00 0.00 H new ATOM 0 HG SER A 13 -5.298 -2.883 13.688 1.00 0.00 H new ATOM 218 N GLU A 14 -7.167 -1.583 9.733 1.00 0.00 N ATOM 219 CA GLU A 14 -8.578 -1.447 9.412 1.00 0.00 C ATOM 220 C GLU A 14 -8.887 -2.077 8.066 1.00 0.00 C ATOM 221 O GLU A 14 -9.995 -2.561 7.833 1.00 0.00 O ATOM 222 CB GLU A 14 -8.996 0.018 9.400 1.00 0.00 C ATOM 223 CG GLU A 14 -8.477 0.817 10.584 1.00 0.00 C ATOM 224 CD GLU A 14 -9.592 1.349 11.465 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.598 1.843 10.915 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.458 1.270 12.704 1.00 0.00 O ATOM 0 H GLU A 14 -6.627 -0.723 9.638 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.144 -1.967 10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.640 0.480 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.084 0.075 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.817 0.187 11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.878 1.651 10.219 1.00 0.00 H new ATOM 233 N ALA A 15 -7.894 -2.097 7.189 1.00 0.00 N ATOM 234 CA ALA A 15 -8.063 -2.706 5.880 1.00 0.00 C ATOM 235 C ALA A 15 -8.008 -4.188 6.034 1.00 0.00 C ATOM 236 O ALA A 15 -8.832 -4.923 5.504 1.00 0.00 O ATOM 237 CB ALA A 15 -7.001 -2.279 4.921 1.00 0.00 C ATOM 0 H ALA A 15 -6.969 -1.701 7.359 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.024 -2.385 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.168 -2.759 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.035 -1.196 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.024 -2.570 5.307 1.00 0.00 H new ATOM 243 N TYR A 16 -7.042 -4.620 6.817 1.00 0.00 N ATOM 244 CA TYR A 16 -6.902 -6.013 7.113 1.00 0.00 C ATOM 245 C TYR A 16 -8.213 -6.466 7.750 1.00 0.00 C ATOM 246 O TYR A 16 -8.623 -7.622 7.635 1.00 0.00 O ATOM 247 CB TYR A 16 -5.723 -6.204 8.051 1.00 0.00 C ATOM 248 CG TYR A 16 -5.959 -7.289 9.035 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.858 -8.595 8.638 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.305 -7.001 10.332 1.00 0.00 C ATOM 251 CE1 TYR A 16 -6.092 -9.628 9.507 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.548 -8.023 11.236 1.00 0.00 C ATOM 253 CZ TYR A 16 -6.439 -9.341 10.816 1.00 0.00 C ATOM 254 OH TYR A 16 -6.678 -10.365 11.704 1.00 0.00 O ATOM 0 H TYR A 16 -6.345 -4.018 7.256 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.707 -6.607 6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.831 -6.432 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.528 -5.272 8.581 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.588 -8.816 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.388 -5.972 10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.007 -10.652 9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.819 -7.796 12.256 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.909 -9.991 12.580 1.00 0.00 H new ATOM 264 N LYS A 17 -8.883 -5.499 8.384 1.00 0.00 N ATOM 265 CA LYS A 17 -10.171 -5.716 9.007 1.00 0.00 C ATOM 266 C LYS A 17 -11.275 -5.665 7.947 1.00 0.00 C ATOM 267 O LYS A 17 -12.458 -5.777 8.265 1.00 0.00 O ATOM 268 CB LYS A 17 -10.438 -4.646 10.071 1.00 0.00 C ATOM 269 CG LYS A 17 -9.735 -4.893 11.396 1.00 0.00 C ATOM 270 CD LYS A 17 -9.772 -3.654 12.278 1.00 0.00 C ATOM 271 CE LYS A 17 -8.462 -3.457 13.024 1.00 0.00 C ATOM 272 NZ LYS A 17 -7.967 -4.726 13.626 1.00 0.00 N ATOM 0 H LYS A 17 -8.537 -4.544 8.474 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.165 -6.696 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.125 -3.677 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.512 -4.586 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.211 -5.725 11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.700 -5.182 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.977 -2.777 11.665 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.589 -3.741 12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.711 -3.063 12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.600 -2.713 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.397 -4.511 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.776 -5.320 13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.382 -5.234 12.933 1.00 0.00 H new ATOM 286 N ASP A 18 -10.874 -5.497 6.681 1.00 0.00 N ATOM 287 CA ASP A 18 -11.822 -5.438 5.581 1.00 0.00 C ATOM 288 C ASP A 18 -12.521 -6.785 5.420 1.00 0.00 C ATOM 289 O ASP A 18 -11.864 -7.813 5.257 1.00 0.00 O ATOM 290 CB ASP A 18 -11.135 -5.064 4.280 1.00 0.00 C ATOM 291 CG ASP A 18 -12.124 -4.853 3.152 1.00 0.00 C ATOM 292 OD1 ASP A 18 -12.677 -5.855 2.652 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.350 -3.685 2.773 1.00 0.00 O ATOM 0 H ASP A 18 -9.898 -5.400 6.401 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.558 -4.668 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.554 -4.154 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.432 -5.850 4.003 1.00 0.00 H new ATOM 298 N PRO A 19 -13.856 -6.800 5.481 1.00 0.00 N ATOM 299 CA PRO A 19 -14.656 -8.031 5.371 1.00 0.00 C ATOM 300 C PRO A 19 -14.266 -8.946 4.212 1.00 0.00 C ATOM 301 O PRO A 19 -14.366 -10.168 4.330 1.00 0.00 O ATOM 302 CB PRO A 19 -16.065 -7.494 5.186 1.00 0.00 C ATOM 303 CG PRO A 19 -16.050 -6.220 5.948 1.00 0.00 C ATOM 304 CD PRO A 19 -14.707 -5.616 5.687 1.00 0.00 C ATOM 0 HA PRO A 19 -14.517 -8.670 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.298 -7.330 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.813 -8.186 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.850 -5.556 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.201 -6.397 7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.718 -4.967 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.364 -5.012 6.527 1.00 0.00 H new ATOM 312 N GLU A 20 -13.817 -8.374 3.097 1.00 0.00 N ATOM 313 CA GLU A 20 -13.421 -9.190 1.958 1.00 0.00 C ATOM 314 C GLU A 20 -11.922 -9.422 1.952 1.00 0.00 C ATOM 315 O GLU A 20 -11.337 -9.892 0.975 1.00 0.00 O ATOM 316 CB GLU A 20 -13.859 -8.537 0.671 1.00 0.00 C ATOM 317 CG GLU A 20 -15.349 -8.665 0.444 1.00 0.00 C ATOM 318 CD GLU A 20 -15.743 -8.475 -1.008 1.00 0.00 C ATOM 319 OE1 GLU A 20 -15.424 -9.359 -1.830 1.00 0.00 O ATOM 320 OE2 GLU A 20 -16.370 -7.442 -1.322 1.00 0.00 O ATOM 0 H GLU A 20 -13.720 -7.368 2.961 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.912 -10.159 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.585 -7.482 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.326 -8.990 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.679 -9.648 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.869 -7.928 1.056 1.00 0.00 H new ATOM 327 N VAL A 21 -11.346 -9.157 3.099 1.00 0.00 N ATOM 328 CA VAL A 21 -9.944 -9.382 3.366 1.00 0.00 C ATOM 329 C VAL A 21 -9.876 -10.392 4.506 1.00 0.00 C ATOM 330 O VAL A 21 -8.977 -11.232 4.568 1.00 0.00 O ATOM 331 CB VAL A 21 -9.206 -8.080 3.734 1.00 0.00 C ATOM 332 CG1 VAL A 21 -7.783 -8.369 4.194 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.207 -7.125 2.545 1.00 0.00 C ATOM 0 H VAL A 21 -11.852 -8.768 3.895 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.446 -9.759 2.473 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.732 -7.607 4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.285 -7.433 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.808 -9.015 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.236 -8.866 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.683 -6.208 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.704 -7.595 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.235 -6.888 2.269 1.00 0.00 H new ATOM 343 N LYS A 22 -10.903 -10.337 5.367 1.00 0.00 N ATOM 344 CA LYS A 22 -11.057 -11.264 6.465 1.00 0.00 C ATOM 345 C LYS A 22 -11.197 -12.653 5.884 1.00 0.00 C ATOM 346 O LYS A 22 -10.633 -13.627 6.384 1.00 0.00 O ATOM 347 CB LYS A 22 -12.334 -10.936 7.252 1.00 0.00 C ATOM 348 CG LYS A 22 -12.549 -9.465 7.509 1.00 0.00 C ATOM 349 CD LYS A 22 -11.331 -8.815 8.126 1.00 0.00 C ATOM 350 CE LYS A 22 -11.453 -8.720 9.639 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.974 -9.982 10.236 1.00 0.00 N ATOM 0 H LYS A 22 -11.646 -9.640 5.309 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.196 -11.197 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.193 -11.326 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.301 -11.458 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.792 -8.965 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.405 -9.334 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.441 -9.389 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.199 -7.817 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.477 -8.491 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.116 -7.895 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.868 -9.946 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.980 -10.091 9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.438 -10.791 9.861 1.00 0.00 H new ATOM 365 N ALA A 23 -11.957 -12.712 4.796 1.00 0.00 N ATOM 366 CA ALA A 23 -12.190 -13.956 4.093 1.00 0.00 C ATOM 367 C ALA A 23 -10.926 -14.381 3.371 1.00 0.00 C ATOM 368 O ALA A 23 -10.694 -15.568 3.139 1.00 0.00 O ATOM 369 CB ALA A 23 -13.346 -13.809 3.114 1.00 0.00 C ATOM 0 H ALA A 23 -12.423 -11.903 4.384 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.458 -14.727 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.506 -14.754 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.251 -13.536 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.111 -13.032 2.387 1.00 0.00 H new ATOM 375 N ASN A 24 -10.103 -13.396 3.031 1.00 0.00 N ATOM 376 CA ASN A 24 -8.854 -13.654 2.354 1.00 0.00 C ATOM 377 C ASN A 24 -7.687 -13.464 3.311 1.00 0.00 C ATOM 378 O ASN A 24 -6.966 -12.469 3.237 1.00 0.00 O ATOM 379 CB ASN A 24 -8.699 -12.745 1.134 1.00 0.00 C ATOM 380 CG ASN A 24 -9.700 -13.068 0.042 1.00 0.00 C ATOM 381 OD1 ASN A 24 -10.852 -12.638 0.092 1.00 0.00 O ATOM 382 ND2 ASN A 24 -9.263 -13.830 -0.956 1.00 0.00 N ATOM 0 H ASN A 24 -10.286 -12.410 3.217 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.858 -14.688 2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.822 -11.706 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.688 -12.843 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.891 -14.080 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.300 -14.165 -0.958 1.00 0.00 H new ATOM 389 N GLU A 25 -7.513 -14.426 4.219 1.00 0.00 N ATOM 390 CA GLU A 25 -6.438 -14.370 5.205 1.00 0.00 C ATOM 391 C GLU A 25 -5.142 -13.898 4.570 1.00 0.00 C ATOM 392 O GLU A 25 -4.423 -13.079 5.136 1.00 0.00 O ATOM 393 CB GLU A 25 -6.234 -15.740 5.854 1.00 0.00 C ATOM 394 CG GLU A 25 -5.178 -15.743 6.949 1.00 0.00 C ATOM 395 CD GLU A 25 -4.468 -17.076 7.071 1.00 0.00 C ATOM 396 OE1 GLU A 25 -5.011 -17.981 7.739 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.365 -17.215 6.501 1.00 0.00 O ATOM 0 H GLU A 25 -8.105 -15.254 4.290 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.726 -13.654 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.181 -16.079 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.950 -16.459 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.445 -14.963 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.647 -15.497 7.902 1.00 0.00 H new ATOM 404 N PHE A 26 -4.866 -14.410 3.383 1.00 0.00 N ATOM 405 CA PHE A 26 -3.663 -14.039 2.649 1.00 0.00 C ATOM 406 C PHE A 26 -3.637 -12.533 2.405 1.00 0.00 C ATOM 407 O PHE A 26 -2.654 -11.861 2.717 1.00 0.00 O ATOM 408 CB PHE A 26 -3.599 -14.795 1.320 1.00 0.00 C ATOM 409 CG PHE A 26 -2.412 -14.437 0.468 1.00 0.00 C ATOM 410 CD1 PHE A 26 -1.193 -14.117 1.047 1.00 0.00 C ATOM 411 CD2 PHE A 26 -2.519 -14.420 -0.912 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.104 -13.788 0.262 1.00 0.00 C ATOM 413 CE2 PHE A 26 -1.434 -14.093 -1.701 1.00 0.00 C ATOM 414 CZ PHE A 26 -0.225 -13.776 -1.114 1.00 0.00 C ATOM 0 H PHE A 26 -5.460 -15.087 2.903 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.792 -14.310 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.577 -15.866 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.511 -14.596 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.094 -14.125 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.462 -14.665 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.840 -13.541 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.531 -14.085 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.624 -13.519 -1.730 1.00 0.00 H new ATOM 424 N LEU A 27 -4.731 -12.010 1.861 1.00 0.00 N ATOM 425 CA LEU A 27 -4.843 -10.583 1.594 1.00 0.00 C ATOM 426 C LEU A 27 -4.696 -9.789 2.881 1.00 0.00 C ATOM 427 O LEU A 27 -4.025 -8.757 2.912 1.00 0.00 O ATOM 428 CB LEU A 27 -6.184 -10.271 0.936 1.00 0.00 C ATOM 429 CG LEU A 27 -6.102 -9.992 -0.562 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.198 -10.735 -1.311 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.180 -8.496 -0.829 1.00 0.00 C ATOM 0 H LEU A 27 -5.552 -12.554 1.597 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.042 -10.296 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.859 -11.111 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.625 -9.406 1.431 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.141 -10.355 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.120 -10.521 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.088 -11.807 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.172 -10.410 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.120 -8.314 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.124 -8.107 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.352 -7.994 -0.329 1.00 0.00 H new ATOM 443 N SER A 28 -5.312 -10.279 3.954 1.00 0.00 N ATOM 444 CA SER A 28 -5.226 -9.619 5.226 1.00 0.00 C ATOM 445 C SER A 28 -3.796 -9.684 5.739 1.00 0.00 C ATOM 446 O SER A 28 -3.245 -8.693 6.212 1.00 0.00 O ATOM 447 CB SER A 28 -6.220 -10.263 6.194 1.00 0.00 C ATOM 448 OG SER A 28 -5.567 -11.062 7.169 1.00 0.00 O ATOM 0 H SER A 28 -5.873 -11.131 3.954 1.00 0.00 H new ATOM 0 HA SER A 28 -5.489 -8.566 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.799 -9.485 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.926 -10.877 5.635 1.00 0.00 H new ATOM 0 HG SER A 28 -5.158 -10.483 7.846 1.00 0.00 H new ATOM 454 N LYS A 29 -3.197 -10.858 5.608 1.00 0.00 N ATOM 455 CA LYS A 29 -1.816 -11.073 6.032 1.00 0.00 C ATOM 456 C LYS A 29 -0.903 -9.986 5.481 1.00 0.00 C ATOM 457 O LYS A 29 0.048 -9.576 6.141 1.00 0.00 O ATOM 458 CB LYS A 29 -1.311 -12.444 5.572 1.00 0.00 C ATOM 459 CG LYS A 29 -2.067 -13.617 6.172 1.00 0.00 C ATOM 460 CD LYS A 29 -1.139 -14.553 6.929 1.00 0.00 C ATOM 461 CE LYS A 29 -1.238 -14.330 8.426 1.00 0.00 C ATOM 462 NZ LYS A 29 -0.398 -15.293 9.191 1.00 0.00 N ATOM 0 H LYS A 29 -3.646 -11.683 5.209 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.797 -11.034 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.380 -12.499 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.256 -12.536 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.839 -13.246 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.573 -14.168 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.391 -15.587 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.111 -14.394 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.928 -13.312 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.278 -14.428 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.495 -15.105 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.709 -16.264 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.598 -15.183 8.912 1.00 0.00 H new ATOM 476 N LEU A 30 -1.194 -9.518 4.272 1.00 0.00 N ATOM 477 CA LEU A 30 -0.385 -8.476 3.663 1.00 0.00 C ATOM 478 C LEU A 30 -0.590 -7.158 4.392 1.00 0.00 C ATOM 479 O LEU A 30 0.370 -6.536 4.846 1.00 0.00 O ATOM 480 CB LEU A 30 -0.717 -8.323 2.174 1.00 0.00 C ATOM 481 CG LEU A 30 0.155 -9.136 1.203 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.367 -8.358 -0.084 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.499 -9.500 1.827 1.00 0.00 C ATOM 0 H LEU A 30 -1.976 -9.841 3.702 1.00 0.00 H new ATOM 0 HA LEU A 30 0.663 -8.764 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.758 -8.609 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.634 -7.269 1.910 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.370 -10.065 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.986 -8.943 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.597 -8.158 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.865 -7.414 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.088 -10.074 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.036 -8.589 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.334 -10.097 2.724 1.00 0.00 H new ATOM 495 N VAL A 31 -1.846 -6.752 4.532 1.00 0.00 N ATOM 496 CA VAL A 31 -2.155 -5.516 5.248 1.00 0.00 C ATOM 497 C VAL A 31 -1.641 -5.627 6.681 1.00 0.00 C ATOM 498 O VAL A 31 -1.333 -4.626 7.327 1.00 0.00 O ATOM 499 CB VAL A 31 -3.670 -5.171 5.268 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.913 -3.811 4.631 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.509 -6.236 4.574 1.00 0.00 C ATOM 0 H VAL A 31 -2.657 -7.250 4.166 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.659 -4.707 4.712 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.981 -5.139 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.979 -3.584 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.368 -3.047 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.566 -3.826 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.561 -5.953 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.195 -6.326 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.372 -7.193 5.078 1.00 0.00 H new ATOM 511 N VAL A 32 -1.528 -6.869 7.153 1.00 0.00 N ATOM 512 CA VAL A 32 -1.027 -7.148 8.489 1.00 0.00 C ATOM 513 C VAL A 32 0.486 -7.003 8.520 1.00 0.00 C ATOM 514 O VAL A 32 1.030 -6.102 9.160 1.00 0.00 O ATOM 515 CB VAL A 32 -1.405 -8.572 8.937 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.965 -8.820 10.370 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.901 -8.804 8.776 1.00 0.00 C ATOM 0 H VAL A 32 -1.781 -7.701 6.620 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.483 -6.431 9.172 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.882 -9.284 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.242 -9.832 10.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.116 -8.704 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.453 -8.103 11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.149 -9.816 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.448 -8.085 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.178 -8.678 7.729 1.00 0.00 H new ATOM 527 N GLN A 33 1.154 -7.893 7.803 1.00 0.00 N ATOM 528 CA GLN A 33 2.609 -7.877 7.711 1.00 0.00 C ATOM 529 C GLN A 33 3.085 -6.478 7.352 1.00 0.00 C ATOM 530 O GLN A 33 4.068 -5.979 7.894 1.00 0.00 O ATOM 531 CB GLN A 33 3.094 -8.921 6.683 1.00 0.00 C ATOM 532 CG GLN A 33 3.703 -8.348 5.406 1.00 0.00 C ATOM 533 CD GLN A 33 5.188 -8.075 5.537 1.00 0.00 C ATOM 534 OE1 GLN A 33 5.623 -6.927 5.496 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.973 -9.134 5.692 1.00 0.00 N ATOM 0 H GLN A 33 0.709 -8.642 7.272 1.00 0.00 H new ATOM 0 HA GLN A 33 3.036 -8.145 8.677 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.834 -9.562 7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.251 -9.556 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.537 -9.045 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.189 -7.422 5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.568 -10.070 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.982 -9.012 5.783 1.00 0.00 H new ATOM 544 N CYS A 34 2.352 -5.848 6.449 1.00 0.00 N ATOM 545 CA CYS A 34 2.661 -4.496 6.022 1.00 0.00 C ATOM 546 C CYS A 34 2.547 -3.554 7.209 1.00 0.00 C ATOM 547 O CYS A 34 3.323 -2.609 7.350 1.00 0.00 O ATOM 548 CB CYS A 34 1.714 -4.054 4.905 1.00 0.00 C ATOM 549 SG CYS A 34 2.093 -4.770 3.288 1.00 0.00 S ATOM 0 H CYS A 34 1.534 -6.255 5.996 1.00 0.00 H new ATOM 0 HA CYS A 34 3.679 -4.470 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.694 -4.324 5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.746 -2.967 4.826 1.00 0.00 H new ATOM 0 HG CYS A 34 1.509 -5.926 3.178 1.00 0.00 H new ATOM 555 N ALA A 35 1.578 -3.838 8.077 1.00 0.00 N ATOM 556 CA ALA A 35 1.364 -3.036 9.271 1.00 0.00 C ATOM 557 C ALA A 35 2.599 -3.077 10.163 1.00 0.00 C ATOM 558 O ALA A 35 2.862 -2.148 10.927 1.00 0.00 O ATOM 559 CB ALA A 35 0.136 -3.526 10.025 1.00 0.00 C ATOM 0 H ALA A 35 0.930 -4.619 7.972 1.00 0.00 H new ATOM 0 HA ALA A 35 1.191 -2.002 8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.011 -2.916 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.741 -3.447 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.279 -4.566 10.317 1.00 0.00 H new ATOM 565 N GLY A 36 3.356 -4.161 10.047 1.00 0.00 N ATOM 566 CA GLY A 36 4.564 -4.315 10.833 1.00 0.00 C ATOM 567 C GLY A 36 5.743 -3.589 10.215 1.00 0.00 C ATOM 568 O GLY A 36 6.655 -3.160 10.921 1.00 0.00 O ATOM 0 H GLY A 36 3.153 -4.939 9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.392 -3.935 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.801 -5.375 10.929 1.00 0.00 H new ATOM 572 N LYS A 37 5.718 -3.444 8.893 1.00 0.00 N ATOM 573 CA LYS A 37 6.780 -2.758 8.181 1.00 0.00 C ATOM 574 C LYS A 37 6.592 -1.251 8.278 1.00 0.00 C ATOM 575 O LYS A 37 7.518 -0.477 8.035 1.00 0.00 O ATOM 576 CB LYS A 37 6.795 -3.189 6.711 1.00 0.00 C ATOM 577 CG LYS A 37 6.679 -4.690 6.511 1.00 0.00 C ATOM 578 CD LYS A 37 7.658 -5.455 7.389 1.00 0.00 C ATOM 579 CE LYS A 37 6.950 -6.168 8.529 1.00 0.00 C ATOM 580 NZ LYS A 37 6.724 -7.609 8.231 1.00 0.00 N ATOM 0 H LYS A 37 4.969 -3.795 8.296 1.00 0.00 H new ATOM 0 HA LYS A 37 7.733 -3.024 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.973 -2.698 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.719 -2.841 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.662 -5.009 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.863 -4.932 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.198 -6.183 6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.399 -4.766 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.543 -6.075 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.993 -5.683 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.707 -7.781 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.234 -7.868 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.073 -8.186 9.023 1.00 0.00 H new ATOM 594 N LEU A 38 5.379 -0.845 8.636 1.00 0.00 N ATOM 595 CA LEU A 38 5.042 0.557 8.768 1.00 0.00 C ATOM 596 C LEU A 38 5.533 1.122 10.094 1.00 0.00 C ATOM 597 O LEU A 38 6.173 2.166 10.119 1.00 0.00 O ATOM 598 CB LEU A 38 3.528 0.720 8.654 1.00 0.00 C ATOM 599 CG LEU A 38 2.992 0.980 7.250 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.951 2.479 6.981 1.00 0.00 C ATOM 601 CD2 LEU A 38 3.836 0.250 6.211 1.00 0.00 C ATOM 0 H LEU A 38 4.608 -1.480 8.841 1.00 0.00 H new ATOM 0 HA LEU A 38 5.536 1.112 7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.054 -0.182 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.221 1.544 9.298 1.00 0.00 H new ATOM 0 HG LEU A 38 1.976 0.593 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.567 2.658 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.300 2.962 7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.957 2.891 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.438 0.447 5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.866 0.602 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.808 -0.822 6.407 1.00 0.00 H new ATOM 613 N THR A 39 5.232 0.435 11.195 1.00 0.00 N ATOM 614 CA THR A 39 5.641 0.894 12.524 1.00 0.00 C ATOM 615 C THR A 39 7.073 1.407 12.523 1.00 0.00 C ATOM 616 O THR A 39 7.429 2.282 13.313 1.00 0.00 O ATOM 617 CB THR A 39 5.442 -0.203 13.564 1.00 0.00 C ATOM 618 OG1 THR A 39 5.040 -1.418 12.957 1.00 0.00 O ATOM 619 CG2 THR A 39 4.409 0.163 14.597 1.00 0.00 C ATOM 0 H THR A 39 4.707 -0.440 11.195 1.00 0.00 H new ATOM 0 HA THR A 39 5.000 1.733 12.797 1.00 0.00 H new ATOM 0 HB THR A 39 6.409 -0.324 14.053 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.744 -1.729 12.350 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.306 -0.652 15.313 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.721 1.068 15.119 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.451 0.339 14.107 1.00 0.00 H new ATOM 627 N ALA A 40 7.877 0.900 11.601 1.00 0.00 N ATOM 628 CA ALA A 40 9.246 1.359 11.471 1.00 0.00 C ATOM 629 C ALA A 40 9.324 2.448 10.414 1.00 0.00 C ATOM 630 O ALA A 40 10.332 2.582 9.719 1.00 0.00 O ATOM 631 CB ALA A 40 10.189 0.229 11.104 1.00 0.00 C ATOM 0 H ALA A 40 7.605 0.175 10.937 1.00 0.00 H new ATOM 0 HA ALA A 40 9.556 1.753 12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.204 0.616 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.158 -0.537 11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.883 -0.206 10.152 1.00 0.00 H new ATOM 637 N SER A 41 8.247 3.216 10.284 1.00 0.00 N ATOM 638 CA SER A 41 8.190 4.281 9.297 1.00 0.00 C ATOM 639 C SER A 41 9.406 5.185 9.412 1.00 0.00 C ATOM 640 O SER A 41 9.796 5.833 8.441 1.00 0.00 O ATOM 641 CB SER A 41 6.890 5.066 9.427 1.00 0.00 C ATOM 642 OG SER A 41 6.547 5.273 10.786 1.00 0.00 O ATOM 0 H SER A 41 7.404 3.119 10.850 1.00 0.00 H new ATOM 0 HA SER A 41 8.206 3.835 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.992 6.028 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.086 4.528 8.925 1.00 0.00 H new ATOM 0 HG SER A 41 5.902 4.591 11.068 1.00 0.00 H new ATOM 648 N ASN A 42 10.047 5.179 10.585 1.00 0.00 N ATOM 649 CA ASN A 42 11.266 5.953 10.777 1.00 0.00 C ATOM 650 C ASN A 42 12.207 5.652 9.617 1.00 0.00 C ATOM 651 O ASN A 42 12.995 6.496 9.189 1.00 0.00 O ATOM 652 CB ASN A 42 11.924 5.586 12.108 1.00 0.00 C ATOM 653 CG ASN A 42 12.424 6.802 12.863 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.987 7.725 12.275 1.00 0.00 O ATOM 655 ND2 ASN A 42 12.221 6.806 14.176 1.00 0.00 N ATOM 0 H ASN A 42 9.743 4.652 11.404 1.00 0.00 H new ATOM 0 HA ASN A 42 11.034 7.018 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.207 5.047 12.728 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.758 4.909 11.923 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.537 7.596 14.738 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.750 6.019 14.622 1.00 0.00 H new ATOM 662 N SER A 43 12.061 4.437 9.082 1.00 0.00 N ATOM 663 CA SER A 43 12.809 3.989 7.946 1.00 0.00 C ATOM 664 C SER A 43 11.975 4.271 6.707 1.00 0.00 C ATOM 665 O SER A 43 11.413 3.358 6.103 1.00 0.00 O ATOM 666 CB SER A 43 13.115 2.493 8.057 1.00 0.00 C ATOM 667 OG SER A 43 13.935 2.058 6.985 1.00 0.00 O ATOM 0 H SER A 43 11.408 3.742 9.443 1.00 0.00 H new ATOM 0 HA SER A 43 13.763 4.513 7.891 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.613 2.290 9.005 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.183 1.927 8.059 1.00 0.00 H new ATOM 0 HG SER A 43 14.248 1.146 7.162 1.00 0.00 H new ATOM 673 N GLU A 44 11.869 5.550 6.349 1.00 0.00 N ATOM 674 CA GLU A 44 11.064 5.949 5.200 1.00 0.00 C ATOM 675 C GLU A 44 11.526 5.228 3.959 1.00 0.00 C ATOM 676 O GLU A 44 10.763 5.021 3.021 1.00 0.00 O ATOM 677 CB GLU A 44 11.171 7.452 4.968 1.00 0.00 C ATOM 678 CG GLU A 44 12.561 7.905 4.549 1.00 0.00 C ATOM 679 CD GLU A 44 12.837 9.351 4.915 1.00 0.00 C ATOM 680 OE1 GLU A 44 12.965 9.643 6.123 1.00 0.00 O ATOM 681 OE2 GLU A 44 12.926 10.190 3.994 1.00 0.00 O ATOM 0 H GLU A 44 12.327 6.321 6.835 1.00 0.00 H new ATOM 0 HA GLU A 44 10.027 5.687 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.455 7.745 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.888 7.974 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.306 7.265 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.671 7.779 3.472 1.00 0.00 H new ATOM 688 N ASN A 45 12.777 4.831 3.977 1.00 0.00 N ATOM 689 CA ASN A 45 13.349 4.103 2.860 1.00 0.00 C ATOM 690 C ASN A 45 12.734 2.719 2.791 1.00 0.00 C ATOM 691 O ASN A 45 12.517 2.164 1.718 1.00 0.00 O ATOM 692 CB ASN A 45 14.869 4.007 3.004 1.00 0.00 C ATOM 693 CG ASN A 45 15.538 3.454 1.760 1.00 0.00 C ATOM 694 OD1 ASN A 45 15.984 4.207 0.895 1.00 0.00 O ATOM 695 ND2 ASN A 45 15.610 2.132 1.665 1.00 0.00 N ATOM 0 H ASN A 45 13.421 4.998 4.750 1.00 0.00 H new ATOM 0 HA ASN A 45 13.130 4.638 1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.273 4.996 3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.110 3.371 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.049 1.702 0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.227 1.546 2.407 1.00 0.00 H new ATOM 702 N SER A 46 12.434 2.194 3.963 1.00 0.00 N ATOM 703 CA SER A 46 11.812 0.893 4.115 1.00 0.00 C ATOM 704 C SER A 46 10.309 1.003 3.933 1.00 0.00 C ATOM 705 O SER A 46 9.638 0.062 3.509 1.00 0.00 O ATOM 706 CB SER A 46 12.140 0.328 5.490 1.00 0.00 C ATOM 707 OG SER A 46 11.255 -0.721 5.841 1.00 0.00 O ATOM 0 H SER A 46 12.618 2.666 4.849 1.00 0.00 H new ATOM 0 HA SER A 46 12.201 0.219 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.166 -0.041 5.499 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.080 1.121 6.235 1.00 0.00 H new ATOM 0 HG SER A 46 11.491 -1.065 6.728 1.00 0.00 H new ATOM 713 N TYR A 47 9.805 2.189 4.240 1.00 0.00 N ATOM 714 CA TYR A 47 8.423 2.511 4.115 1.00 0.00 C ATOM 715 C TYR A 47 8.200 2.883 2.659 1.00 0.00 C ATOM 716 O TYR A 47 7.098 2.778 2.140 1.00 0.00 O ATOM 717 CB TYR A 47 8.083 3.600 5.154 1.00 0.00 C ATOM 718 CG TYR A 47 7.106 4.656 4.728 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.338 5.392 3.594 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.965 4.924 5.477 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.459 6.378 3.194 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.078 5.904 5.089 1.00 0.00 C ATOM 723 CZ TYR A 47 5.327 6.628 3.950 1.00 0.00 C ATOM 724 OH TYR A 47 4.442 7.607 3.571 1.00 0.00 O ATOM 0 H TYR A 47 10.373 2.961 4.590 1.00 0.00 H new ATOM 0 HA TYR A 47 7.741 1.691 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.688 3.110 6.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.010 4.092 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.222 5.197 3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.772 4.356 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.653 6.950 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.194 6.101 5.677 1.00 0.00 H new ATOM 0 HH TYR A 47 3.704 7.647 4.214 1.00 0.00 H new ATOM 734 N ILE A 48 9.321 3.243 2.006 1.00 0.00 N ATOM 735 CA ILE A 48 9.367 3.558 0.585 1.00 0.00 C ATOM 736 C ILE A 48 9.295 2.239 -0.161 1.00 0.00 C ATOM 737 O ILE A 48 8.599 2.107 -1.169 1.00 0.00 O ATOM 738 CB ILE A 48 10.689 4.314 0.230 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.570 5.828 0.465 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.154 4.050 -1.204 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.223 6.291 0.981 1.00 0.00 C ATOM 0 H ILE A 48 10.228 3.321 2.467 1.00 0.00 H new ATOM 0 HA ILE A 48 8.538 4.209 0.307 1.00 0.00 H new ATOM 0 HB ILE A 48 11.442 3.913 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.339 6.132 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.780 6.344 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.076 4.600 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.334 2.983 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.384 4.378 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.237 7.373 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.447 6.025 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.014 5.809 1.936 1.00 0.00 H new ATOM 753 N GLU A 49 9.990 1.248 0.391 1.00 0.00 N ATOM 754 CA GLU A 49 9.983 -0.083 -0.155 1.00 0.00 C ATOM 755 C GLU A 49 8.630 -0.680 0.105 1.00 0.00 C ATOM 756 O GLU A 49 7.924 -1.068 -0.822 1.00 0.00 O ATOM 757 CB GLU A 49 11.095 -0.924 0.463 1.00 0.00 C ATOM 758 CG GLU A 49 12.425 -0.195 0.504 1.00 0.00 C ATOM 759 CD GLU A 49 13.520 -0.933 -0.242 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.817 -2.088 0.129 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.078 -0.357 -1.200 1.00 0.00 O ATOM 0 H GLU A 49 10.567 1.356 1.225 1.00 0.00 H new ATOM 0 HA GLU A 49 10.170 -0.056 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.810 -1.209 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.208 -1.846 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.303 0.799 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.727 -0.057 1.542 1.00 0.00 H new ATOM 768 N VAL A 50 8.239 -0.683 1.378 1.00 0.00 N ATOM 769 CA VAL A 50 6.927 -1.166 1.739 1.00 0.00 C ATOM 770 C VAL A 50 5.892 -0.345 0.976 1.00 0.00 C ATOM 771 O VAL A 50 4.785 -0.805 0.699 1.00 0.00 O ATOM 772 CB VAL A 50 6.672 -1.096 3.265 1.00 0.00 C ATOM 773 CG1 VAL A 50 5.961 0.191 3.663 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.878 -2.312 3.719 1.00 0.00 C ATOM 0 H VAL A 50 8.809 -0.360 2.159 1.00 0.00 H new ATOM 0 HA VAL A 50 6.852 -2.219 1.469 1.00 0.00 H new ATOM 0 HB VAL A 50 7.640 -1.097 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.801 0.200 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.573 1.047 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.999 0.248 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.704 -2.253 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.921 -2.337 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.439 -3.218 3.492 1.00 0.00 H new ATOM 784 N ILE A 51 6.305 0.869 0.600 1.00 0.00 N ATOM 785 CA ILE A 51 5.478 1.764 -0.173 1.00 0.00 C ATOM 786 C ILE A 51 5.362 1.221 -1.593 1.00 0.00 C ATOM 787 O ILE A 51 4.304 1.295 -2.223 1.00 0.00 O ATOM 788 CB ILE A 51 6.067 3.202 -0.134 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.128 4.147 0.646 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.362 3.764 -1.527 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.642 3.807 0.559 1.00 0.00 C ATOM 0 H ILE A 51 7.224 1.247 0.829 1.00 0.00 H new ATOM 0 HA ILE A 51 4.476 1.823 0.251 1.00 0.00 H new ATOM 0 HB ILE A 51 7.024 3.137 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.424 4.142 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.274 5.163 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.771 4.770 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.085 3.123 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.440 3.799 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.069 4.529 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.321 3.842 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.474 2.806 0.957 1.00 0.00 H new ATOM 803 N SER A 52 6.454 0.626 -2.073 1.00 0.00 N ATOM 804 CA SER A 52 6.468 0.024 -3.389 1.00 0.00 C ATOM 805 C SER A 52 5.662 -1.254 -3.354 1.00 0.00 C ATOM 806 O SER A 52 4.901 -1.564 -4.271 1.00 0.00 O ATOM 807 CB SER A 52 7.892 -0.274 -3.838 1.00 0.00 C ATOM 808 OG SER A 52 8.401 0.769 -4.650 1.00 0.00 O ATOM 0 H SER A 52 7.335 0.552 -1.564 1.00 0.00 H new ATOM 0 HA SER A 52 6.030 0.723 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.532 -0.404 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.913 -1.213 -4.392 1.00 0.00 H new ATOM 0 HG SER A 52 9.376 0.810 -4.558 1.00 0.00 H new ATOM 814 N LEU A 53 5.839 -1.986 -2.262 1.00 0.00 N ATOM 815 CA LEU A 53 5.134 -3.233 -2.057 1.00 0.00 C ATOM 816 C LEU A 53 3.651 -2.961 -1.873 1.00 0.00 C ATOM 817 O LEU A 53 2.831 -3.864 -1.975 1.00 0.00 O ATOM 818 CB LEU A 53 5.693 -3.987 -0.852 1.00 0.00 C ATOM 819 CG LEU A 53 7.167 -3.720 -0.571 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.681 -4.630 0.533 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.995 -3.880 -1.836 1.00 0.00 C ATOM 0 H LEU A 53 6.471 -1.731 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 53 5.275 -3.860 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.113 -3.718 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.554 -5.056 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 53 7.266 -2.689 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.735 -4.421 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.112 -4.452 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.565 -5.671 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.044 -3.685 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.888 -4.897 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.648 -3.174 -2.590 1.00 0.00 H new ATOM 833 N LEU A 54 3.312 -1.702 -1.602 1.00 0.00 N ATOM 834 CA LEU A 54 1.930 -1.319 -1.423 1.00 0.00 C ATOM 835 C LEU A 54 1.234 -1.201 -2.766 1.00 0.00 C ATOM 836 O LEU A 54 0.140 -1.726 -2.952 1.00 0.00 O ATOM 837 CB LEU A 54 1.825 -0.014 -0.643 1.00 0.00 C ATOM 838 CG LEU A 54 1.843 -0.168 0.882 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.542 0.336 1.487 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.093 -1.622 1.290 1.00 0.00 C ATOM 0 H LEU A 54 3.980 -0.938 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 54 1.432 -2.097 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.650 0.635 -0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.903 0.491 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 54 2.664 0.436 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.575 0.218 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.410 1.390 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.293 -0.238 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.100 -1.699 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.302 -2.254 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.055 -1.950 0.897 1.00 0.00 H new ATOM 852 N SER A 55 1.882 -0.520 -3.706 1.00 0.00 N ATOM 853 CA SER A 55 1.321 -0.353 -5.042 1.00 0.00 C ATOM 854 C SER A 55 1.094 -1.712 -5.708 1.00 0.00 C ATOM 855 O SER A 55 0.305 -1.829 -6.645 1.00 0.00 O ATOM 856 CB SER A 55 2.246 0.505 -5.907 1.00 0.00 C ATOM 857 OG SER A 55 1.503 1.364 -6.752 1.00 0.00 O ATOM 0 H SER A 55 2.791 -0.077 -3.569 1.00 0.00 H new ATOM 0 HA SER A 55 0.360 0.152 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.901 1.097 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.886 -0.139 -6.510 1.00 0.00 H new ATOM 0 HG SER A 55 0.594 1.013 -6.858 1.00 0.00 H new ATOM 863 N ARG A 56 1.789 -2.734 -5.212 1.00 0.00 N ATOM 864 CA ARG A 56 1.664 -4.085 -5.751 1.00 0.00 C ATOM 865 C ARG A 56 1.009 -5.014 -4.729 1.00 0.00 C ATOM 866 O ARG A 56 0.065 -5.732 -5.043 1.00 0.00 O ATOM 867 CB ARG A 56 3.040 -4.624 -6.152 1.00 0.00 C ATOM 868 CG ARG A 56 3.128 -5.043 -7.612 1.00 0.00 C ATOM 869 CD ARG A 56 3.866 -6.364 -7.771 1.00 0.00 C ATOM 870 NE ARG A 56 4.896 -6.299 -8.805 1.00 0.00 N ATOM 871 CZ ARG A 56 5.514 -7.367 -9.302 1.00 0.00 C ATOM 872 NH1 ARG A 56 5.207 -8.582 -8.864 1.00 0.00 N ATOM 873 NH2 ARG A 56 6.440 -7.222 -10.239 1.00 0.00 N ATOM 0 H ARG A 56 2.446 -2.651 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 56 1.030 -4.046 -6.637 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.792 -3.859 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.284 -5.479 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.124 -5.134 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.640 -4.268 -8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.324 -6.639 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.152 -7.149 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 56 5.156 -5.382 -9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.495 -8.699 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.683 -9.398 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.679 -6.291 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.913 -8.042 -10.619 1.00 0.00 H new ATOM 887 N GLY A 57 1.512 -4.980 -3.499 1.00 0.00 N ATOM 888 CA GLY A 57 0.963 -5.808 -2.437 1.00 0.00 C ATOM 889 C GLY A 57 -0.549 -5.743 -2.393 1.00 0.00 C ATOM 890 O GLY A 57 -1.234 -6.763 -2.333 1.00 0.00 O ATOM 0 H GLY A 57 2.295 -4.390 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.278 -6.841 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.368 -5.484 -1.478 1.00 0.00 H new ATOM 894 N ILE A 58 -1.050 -4.521 -2.431 1.00 0.00 N ATOM 895 CA ILE A 58 -2.479 -4.232 -2.400 1.00 0.00 C ATOM 896 C ILE A 58 -3.324 -5.276 -3.149 1.00 0.00 C ATOM 897 O ILE A 58 -4.060 -6.039 -2.522 1.00 0.00 O ATOM 898 CB ILE A 58 -2.711 -2.814 -2.965 1.00 0.00 C ATOM 899 CG1 ILE A 58 -4.195 -2.474 -3.120 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.989 -2.657 -4.287 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.621 -1.315 -2.249 1.00 0.00 C ATOM 0 H ILE A 58 -0.468 -3.685 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.811 -4.281 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.303 -2.109 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.402 -2.235 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.793 -3.350 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.159 -1.654 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.920 -2.813 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.367 -3.392 -4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.682 -1.118 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.443 -1.562 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.046 -0.428 -2.516 1.00 0.00 H new ATOM 1109 N PRO A 70 -11.803 -5.556 -2.250 1.00 0.00 N ATOM 1110 CA PRO A 70 -12.591 -4.673 -1.386 1.00 0.00 C ATOM 1111 C PRO A 70 -12.127 -3.224 -1.456 1.00 0.00 C ATOM 1112 O PRO A 70 -11.108 -2.916 -2.075 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.368 -5.227 0.021 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.148 -6.078 -0.062 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.047 -6.560 -1.483 1.00 0.00 C ATOM 0 HA PRO A 70 -13.638 -4.658 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.233 -4.420 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.228 -5.809 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.261 -5.509 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.217 -6.920 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.010 -6.617 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.474 -7.556 -1.599 1.00 0.00 H new ATOM 1123 N SER A 71 -12.877 -2.336 -0.806 1.00 0.00 N ATOM 1124 CA SER A 71 -12.531 -0.919 -0.785 1.00 0.00 C ATOM 1125 C SER A 71 -11.116 -0.733 -0.254 1.00 0.00 C ATOM 1126 O SER A 71 -10.321 0.024 -0.816 1.00 0.00 O ATOM 1127 CB SER A 71 -13.525 -0.140 0.080 1.00 0.00 C ATOM 1128 OG SER A 71 -14.797 -0.073 -0.538 1.00 0.00 O ATOM 0 H SER A 71 -13.724 -2.573 -0.290 1.00 0.00 H new ATOM 0 HA SER A 71 -12.579 -0.534 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.616 -0.619 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.148 0.868 0.254 1.00 0.00 H new ATOM 0 HG SER A 71 -15.413 0.428 0.036 1.00 0.00 H new ATOM 1134 N SER A 72 -10.802 -1.445 0.826 1.00 0.00 N ATOM 1135 CA SER A 72 -9.477 -1.387 1.435 1.00 0.00 C ATOM 1136 C SER A 72 -8.387 -1.918 0.498 1.00 0.00 C ATOM 1137 O SER A 72 -7.290 -2.258 0.942 1.00 0.00 O ATOM 1138 CB SER A 72 -9.469 -2.159 2.755 1.00 0.00 C ATOM 1139 OG SER A 72 -8.925 -3.458 2.595 1.00 0.00 O ATOM 0 H SER A 72 -11.452 -2.072 1.299 1.00 0.00 H new ATOM 0 HA SER A 72 -9.252 -0.338 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.888 -1.609 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.486 -2.234 3.140 1.00 0.00 H new ATOM 0 HG SER A 72 -8.011 -3.389 2.247 1.00 0.00 H new ATOM 1145 N MET A 73 -8.683 -1.972 -0.796 1.00 0.00 N ATOM 1146 CA MET A 73 -7.723 -2.436 -1.786 1.00 0.00 C ATOM 1147 C MET A 73 -7.541 -1.367 -2.860 1.00 0.00 C ATOM 1148 O MET A 73 -7.035 -1.634 -3.950 1.00 0.00 O ATOM 1149 CB MET A 73 -8.190 -3.755 -2.407 1.00 0.00 C ATOM 1150 CG MET A 73 -7.228 -4.914 -2.181 1.00 0.00 C ATOM 1151 SD MET A 73 -6.705 -5.074 -0.460 1.00 0.00 S ATOM 1152 CE MET A 73 -5.077 -4.324 -0.522 1.00 0.00 C ATOM 0 H MET A 73 -9.586 -1.698 -1.184 1.00 0.00 H new ATOM 0 HA MET A 73 -6.764 -2.615 -1.300 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.164 -4.017 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.328 -3.613 -3.479 1.00 0.00 H new ATOM 0 HG2 MET A 73 -7.705 -5.842 -2.497 1.00 0.00 H new ATOM 0 HG3 MET A 73 -6.349 -4.777 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.320 -5.081 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.909 -3.900 -1.512 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.011 -3.535 0.227 1.00 0.00 H new ATOM 1162 N LEU A 74 -7.965 -0.149 -2.525 1.00 0.00 N ATOM 1163 CA LEU A 74 -7.868 0.993 -3.423 1.00 0.00 C ATOM 1164 C LEU A 74 -7.496 2.248 -2.653 1.00 0.00 C ATOM 1165 O LEU A 74 -6.792 3.111 -3.164 1.00 0.00 O ATOM 1166 CB LEU A 74 -9.185 1.209 -4.153 1.00 0.00 C ATOM 1167 CG LEU A 74 -9.340 0.391 -5.429 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -8.105 0.515 -6.311 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -9.623 -1.065 -5.090 1.00 0.00 C ATOM 0 H LEU A 74 -8.385 0.070 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.087 0.784 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.005 0.965 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.280 2.266 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.187 0.786 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.242 -0.079 -7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.955 1.560 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.232 0.152 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.732 -1.638 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.797 -1.470 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.544 -1.131 -4.510 1.00 0.00 H new ATOM 1181 N THR A 75 -7.963 2.334 -1.412 1.00 0.00 N ATOM 1182 CA THR A 75 -7.676 3.474 -0.565 1.00 0.00 C ATOM 1183 C THR A 75 -6.207 3.482 -0.201 1.00 0.00 C ATOM 1184 O THR A 75 -5.546 4.517 -0.214 1.00 0.00 O ATOM 1185 CB THR A 75 -8.542 3.405 0.698 1.00 0.00 C ATOM 1186 OG1 THR A 75 -8.859 4.702 1.168 1.00 0.00 O ATOM 1187 CG2 THR A 75 -7.898 2.642 1.841 1.00 0.00 C ATOM 0 H THR A 75 -8.545 1.620 -0.973 1.00 0.00 H new ATOM 0 HA THR A 75 -7.907 4.395 -1.100 1.00 0.00 H new ATOM 0 HB THR A 75 -9.439 2.867 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.413 4.632 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.570 2.636 2.699 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.700 1.617 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.960 3.124 2.118 1.00 0.00 H new ATOM 1195 N ILE A 76 -5.706 2.307 0.122 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.314 2.165 0.482 1.00 0.00 C ATOM 1197 C ILE A 76 -3.437 2.438 -0.729 1.00 0.00 C ATOM 1198 O ILE A 76 -2.431 3.138 -0.638 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.018 0.756 1.042 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -4.739 0.556 2.377 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -2.520 0.534 1.198 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -5.984 -0.299 2.267 1.00 0.00 C ATOM 0 H ILE A 76 -6.242 1.440 0.142 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.091 2.891 1.264 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.391 0.018 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.052 0.095 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.011 1.530 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.340 -0.465 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.034 0.633 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.112 1.275 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.445 -0.399 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.689 0.172 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.716 -1.286 1.890 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.846 1.892 -1.867 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.123 2.079 -3.116 1.00 0.00 C ATOM 1216 C TYR A 77 -3.276 3.519 -3.599 1.00 0.00 C ATOM 1217 O TYR A 77 -2.450 4.038 -4.346 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.669 1.112 -4.172 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.055 1.265 -5.544 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.221 2.425 -6.290 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.307 0.240 -6.087 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.650 2.552 -7.541 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.730 0.355 -7.334 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.903 1.514 -8.058 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.326 1.637 -9.298 1.00 0.00 O ATOM 0 H TYR A 77 -4.681 1.312 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.065 1.875 -2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.507 0.090 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.747 1.254 -4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.805 3.239 -5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.171 -0.671 -5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.788 3.459 -8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.146 -0.458 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.834 0.817 -9.513 1.00 0.00 H new ATOM 1235 N THR A 78 -4.344 4.161 -3.177 1.00 0.00 N ATOM 1236 CA THR A 78 -4.591 5.536 -3.557 1.00 0.00 C ATOM 1237 C THR A 78 -3.847 6.471 -2.615 1.00 0.00 C ATOM 1238 O THR A 78 -3.387 7.544 -3.001 1.00 0.00 O ATOM 1239 CB THR A 78 -6.088 5.815 -3.513 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.475 6.706 -4.542 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.539 6.390 -2.201 1.00 0.00 C ATOM 0 H THR A 78 -5.056 3.753 -2.571 1.00 0.00 H new ATOM 0 HA THR A 78 -4.231 5.706 -4.572 1.00 0.00 H new ATOM 0 HB THR A 78 -6.566 4.845 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.441 6.866 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.614 6.567 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.309 5.689 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.021 7.332 -2.019 1.00 0.00 H new ATOM 1249 N GLN A 79 -3.753 6.037 -1.365 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.087 6.806 -0.320 1.00 0.00 C ATOM 1251 C GLN A 79 -1.639 7.059 -0.694 1.00 0.00 C ATOM 1252 O GLN A 79 -1.140 8.181 -0.604 1.00 0.00 O ATOM 1253 CB GLN A 79 -3.160 6.066 1.018 1.00 0.00 C ATOM 1254 CG GLN A 79 -4.375 6.438 1.851 1.00 0.00 C ATOM 1255 CD GLN A 79 -4.456 7.926 2.130 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.153 8.653 1.265 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -3.899 8.418 3.112 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.134 5.146 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.598 7.764 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.173 4.992 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.258 6.278 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.279 6.120 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.343 5.896 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.373 7.822 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.963 9.421 3.286 1.00 0.00 H new ATOM 1266 N ILE A 80 -0.982 5.997 -1.128 1.00 0.00 N ATOM 1267 CA ILE A 80 0.412 6.051 -1.547 1.00 0.00 C ATOM 1268 C ILE A 80 0.675 7.265 -2.420 1.00 0.00 C ATOM 1269 O ILE A 80 1.423 8.165 -2.043 1.00 0.00 O ATOM 1270 CB ILE A 80 0.801 4.786 -2.335 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -0.404 3.974 -2.705 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.679 3.910 -1.516 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.125 2.962 -3.778 1.00 0.00 C ATOM 0 H ILE A 80 -1.400 5.069 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 80 1.014 6.118 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 80 1.314 5.127 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.776 3.461 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.196 4.643 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.943 3.021 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.586 4.452 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.153 3.613 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.036 2.407 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.219 3.472 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.646 2.271 -3.435 1.00 0.00 H new ATOM 1285 N GLN A 81 0.044 7.287 -3.587 1.00 0.00 N ATOM 1286 CA GLN A 81 0.206 8.398 -4.507 1.00 0.00 C ATOM 1287 C GLN A 81 -0.224 9.696 -3.840 1.00 0.00 C ATOM 1288 O GLN A 81 0.187 10.779 -4.248 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.609 8.157 -5.779 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.055 7.042 -6.651 1.00 0.00 C ATOM 1291 CD GLN A 81 -0.840 6.854 -7.934 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.697 7.669 -8.278 1.00 0.00 O ATOM 1293 NE2 GLN A 81 -0.551 5.774 -8.650 1.00 0.00 N ATOM 0 H GLN A 81 -0.581 6.551 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 81 1.258 8.477 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.636 7.916 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.643 9.079 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.985 7.261 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.061 6.109 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.167 5.125 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.047 5.593 -9.523 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.046 9.576 -2.803 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.521 10.738 -2.073 1.00 0.00 C ATOM 1304 C LYS A 82 -0.454 11.288 -1.166 1.00 0.00 C ATOM 1305 O LYS A 82 -0.190 12.480 -1.174 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.763 10.394 -1.255 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.997 11.125 -1.725 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.495 10.549 -3.037 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.008 10.413 -3.050 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.577 10.672 -4.402 1.00 0.00 N ATOM 0 H LYS A 82 -1.395 8.684 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.778 11.501 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.941 9.320 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.581 10.635 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.779 11.051 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.773 12.184 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.180 11.191 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.040 9.572 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.285 9.410 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.441 11.111 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.611 10.569 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.334 11.638 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.183 9.990 -5.081 1.00 0.00 H new ATOM 1324 N ASP A 83 0.175 10.418 -0.406 1.00 0.00 N ATOM 1325 CA ASP A 83 1.232 10.843 0.480 1.00 0.00 C ATOM 1326 C ASP A 83 2.406 11.266 -0.374 1.00 0.00 C ATOM 1327 O ASP A 83 3.123 12.216 -0.066 1.00 0.00 O ATOM 1328 CB ASP A 83 1.638 9.713 1.416 1.00 0.00 C ATOM 1329 CG ASP A 83 0.710 9.585 2.609 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.431 10.086 2.532 1.00 0.00 O ATOM 1331 OD2 ASP A 83 1.127 8.983 3.621 1.00 0.00 O ATOM 0 H ASP A 83 -0.027 9.418 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 83 0.891 11.673 1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.646 8.773 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.655 9.885 1.768 1.00 0.00 H new ATOM 1336 N ILE A 84 2.559 10.551 -1.478 1.00 0.00 N ATOM 1337 CA ILE A 84 3.599 10.826 -2.435 1.00 0.00 C ATOM 1338 C ILE A 84 3.447 12.240 -2.982 1.00 0.00 C ATOM 1339 O ILE A 84 4.370 13.052 -2.920 1.00 0.00 O ATOM 1340 CB ILE A 84 3.517 9.813 -3.596 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.562 8.724 -3.426 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.672 10.506 -4.924 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.404 7.992 -2.127 1.00 0.00 C ATOM 0 H ILE A 84 1.960 9.764 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 84 4.567 10.737 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 84 2.532 9.347 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.487 8.017 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.557 9.166 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.611 9.772 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.878 11.243 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.640 11.006 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.172 7.222 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.506 8.694 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.419 7.527 -2.089 1.00 0.00 H new ATOM 1355 N LYS A 85 2.272 12.511 -3.537 1.00 0.00 N ATOM 1356 CA LYS A 85 1.981 13.803 -4.122 1.00 0.00 C ATOM 1357 C LYS A 85 1.724 14.852 -3.068 1.00 0.00 C ATOM 1358 O LYS A 85 1.981 16.037 -3.278 1.00 0.00 O ATOM 1359 CB LYS A 85 0.770 13.710 -5.036 1.00 0.00 C ATOM 1360 CG LYS A 85 1.110 13.995 -6.478 1.00 0.00 C ATOM 1361 CD LYS A 85 1.983 12.891 -7.053 1.00 0.00 C ATOM 1362 CE LYS A 85 3.468 13.148 -6.835 1.00 0.00 C ATOM 1363 NZ LYS A 85 3.831 14.578 -7.049 1.00 0.00 N ATOM 0 H LYS A 85 1.503 11.843 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 85 2.859 14.099 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.336 12.713 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.010 14.415 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.194 14.082 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.628 14.951 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.711 11.941 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.787 12.796 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.741 12.854 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.047 12.523 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.836 14.646 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.247 14.974 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.664 15.113 -6.173 1.00 0.00 H new ATOM 1377 N ASN A 86 1.186 14.419 -1.947 1.00 0.00 N ATOM 1378 CA ASN A 86 0.864 15.357 -0.880 1.00 0.00 C ATOM 1379 C ASN A 86 2.121 15.904 -0.214 1.00 0.00 C ATOM 1380 O ASN A 86 2.067 16.907 0.498 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.043 14.724 0.176 1.00 0.00 C ATOM 1382 CG ASN A 86 -1.488 14.639 -0.276 1.00 0.00 C ATOM 1383 OD1 ASN A 86 -1.770 14.398 -1.451 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -2.413 14.839 0.656 1.00 0.00 N ATOM 0 H ASN A 86 0.964 13.444 -1.748 1.00 0.00 H new ATOM 0 HA ASN A 86 0.329 16.184 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.321 13.723 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.013 15.307 1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.402 14.796 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.134 15.036 1.617 1.00 0.00 H new ATOM 1391 N GLY A 87 3.248 15.238 -0.430 1.00 0.00 N ATOM 1392 CA GLY A 87 4.487 15.677 0.179 1.00 0.00 C ATOM 1393 C GLY A 87 4.703 15.009 1.518 1.00 0.00 C ATOM 1394 O GLY A 87 5.282 15.593 2.434 1.00 0.00 O ATOM 0 H GLY A 87 3.326 14.405 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.322 15.449 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.469 16.759 0.308 1.00 0.00 H new ATOM 1398 N ASN A 88 4.244 13.769 1.614 1.00 0.00 N ATOM 1399 CA ASN A 88 4.382 12.979 2.815 1.00 0.00 C ATOM 1400 C ASN A 88 5.527 12.015 2.641 1.00 0.00 C ATOM 1401 O ASN A 88 6.106 11.513 3.605 1.00 0.00 O ATOM 1402 CB ASN A 88 3.086 12.217 3.099 1.00 0.00 C ATOM 1403 CG ASN A 88 2.207 12.930 4.110 1.00 0.00 C ATOM 1404 OD1 ASN A 88 2.801 13.351 5.222 1.00 0.00 O flip ATOM 1405 ND2 ASN A 88 1.007 13.099 3.895 1.00 0.00 N flip ATOM 0 H ASN A 88 3.764 13.287 0.854 1.00 0.00 H new ATOM 0 HA ASN A 88 4.585 13.635 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.533 12.086 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.327 11.221 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.592 12.760 3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.428 13.579 4.584 1.00 0.00 H new ATOM 1412 N ILE A 89 5.816 11.741 1.384 1.00 0.00 N ATOM 1413 CA ILE A 89 6.833 10.831 1.005 1.00 0.00 C ATOM 1414 C ILE A 89 7.757 11.492 -0.007 1.00 0.00 C ATOM 1415 O ILE A 89 7.382 12.494 -0.615 1.00 0.00 O ATOM 1416 CB ILE A 89 6.106 9.644 0.410 1.00 0.00 C ATOM 1417 CG1 ILE A 89 5.192 9.050 1.477 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.079 8.651 -0.118 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.140 8.138 0.933 1.00 0.00 C ATOM 0 H ILE A 89 5.329 12.164 0.594 1.00 0.00 H new ATOM 0 HA ILE A 89 7.459 10.521 1.842 1.00 0.00 H new ATOM 0 HB ILE A 89 5.493 9.957 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.799 8.500 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.709 9.862 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.540 7.804 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.690 9.116 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.721 8.304 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.531 7.756 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.507 8.687 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.614 7.305 0.414 1.00 0.00 H new ATOM 1431 N ASP A 90 8.950 10.943 -0.213 1.00 0.00 N ATOM 1432 CA ASP A 90 9.855 11.530 -1.183 1.00 0.00 C ATOM 1433 C ASP A 90 9.939 10.644 -2.386 1.00 0.00 C ATOM 1434 O ASP A 90 10.901 9.904 -2.577 1.00 0.00 O ATOM 1435 CB ASP A 90 11.242 11.836 -0.601 1.00 0.00 C ATOM 1436 CG ASP A 90 11.168 12.543 0.740 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.283 12.195 1.549 1.00 0.00 O ATOM 1438 OD2 ASP A 90 11.998 13.445 0.980 1.00 0.00 O ATOM 0 H ASP A 90 9.302 10.115 0.267 1.00 0.00 H new ATOM 0 HA ASP A 90 9.448 12.497 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.798 10.905 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.799 12.455 -1.304 1.00 0.00 H new ATOM 1443 N THR A 91 8.885 10.719 -3.187 1.00 0.00 N ATOM 1444 CA THR A 91 8.765 9.906 -4.375 1.00 0.00 C ATOM 1445 C THR A 91 9.998 9.972 -5.252 1.00 0.00 C ATOM 1446 O THR A 91 10.162 9.150 -6.147 1.00 0.00 O ATOM 1447 CB THR A 91 7.519 10.282 -5.155 1.00 0.00 C ATOM 1448 OG1 THR A 91 6.679 11.134 -4.397 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.718 9.075 -5.554 1.00 0.00 C ATOM 0 H THR A 91 8.095 11.345 -3.027 1.00 0.00 H new ATOM 0 HA THR A 91 8.673 8.871 -4.047 1.00 0.00 H new ATOM 0 HB THR A 91 7.868 10.796 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.012 12.054 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.835 9.392 -6.110 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.328 8.425 -6.181 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.409 8.532 -4.661 1.00 0.00 H new ATOM 1457 N GLU A 92 10.888 10.909 -4.970 1.00 0.00 N ATOM 1458 CA GLU A 92 12.118 11.011 -5.717 1.00 0.00 C ATOM 1459 C GLU A 92 12.990 9.828 -5.362 1.00 0.00 C ATOM 1460 O GLU A 92 13.662 9.245 -6.211 1.00 0.00 O ATOM 1461 CB GLU A 92 12.854 12.312 -5.389 1.00 0.00 C ATOM 1462 CG GLU A 92 11.993 13.344 -4.688 1.00 0.00 C ATOM 1463 CD GLU A 92 12.494 14.761 -4.882 1.00 0.00 C ATOM 1464 OE1 GLU A 92 12.677 15.172 -6.047 1.00 0.00 O ATOM 1465 OE2 GLU A 92 12.702 15.460 -3.868 1.00 0.00 O ATOM 0 H GLU A 92 10.777 11.604 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 92 11.892 11.014 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.714 12.083 -4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.240 12.742 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.971 13.271 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.960 13.119 -3.622 1.00 0.00 H new ATOM 1472 N LYS A 93 12.944 9.473 -4.087 1.00 0.00 N ATOM 1473 CA LYS A 93 13.693 8.359 -3.573 1.00 0.00 C ATOM 1474 C LYS A 93 12.962 7.072 -3.925 1.00 0.00 C ATOM 1475 O LYS A 93 13.561 6.115 -4.417 1.00 0.00 O ATOM 1476 CB LYS A 93 13.919 8.565 -2.069 1.00 0.00 C ATOM 1477 CG LYS A 93 12.984 7.815 -1.157 1.00 0.00 C ATOM 1478 CD LYS A 93 12.890 8.531 0.180 1.00 0.00 C ATOM 1479 CE LYS A 93 11.465 8.895 0.515 1.00 0.00 C ATOM 1480 NZ LYS A 93 11.391 9.815 1.684 1.00 0.00 N ATOM 0 H LYS A 93 12.382 9.956 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 93 14.682 8.286 -4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.941 8.272 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.834 9.629 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.996 7.743 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.343 6.796 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.297 7.893 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.500 9.434 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.997 9.367 -0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.899 7.989 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.605 10.482 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.234 9.263 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.283 10.343 1.767 1.00 0.00 H new ATOM 1494 N LEU A 94 11.646 7.087 -3.740 1.00 0.00 N ATOM 1495 CA LEU A 94 10.805 5.986 -4.100 1.00 0.00 C ATOM 1496 C LEU A 94 10.982 5.697 -5.585 1.00 0.00 C ATOM 1497 O LEU A 94 11.062 4.542 -5.998 1.00 0.00 O ATOM 1498 CB LEU A 94 9.357 6.372 -3.819 1.00 0.00 C ATOM 1499 CG LEU A 94 8.989 6.545 -2.345 1.00 0.00 C ATOM 1500 CD1 LEU A 94 9.411 7.886 -1.782 1.00 0.00 C ATOM 1501 CD2 LEU A 94 7.495 6.377 -2.172 1.00 0.00 C ATOM 0 H LEU A 94 11.144 7.876 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 94 11.067 5.098 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.142 7.305 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.707 5.610 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 94 9.531 5.779 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.122 7.947 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.492 7.992 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.923 8.685 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.234 6.501 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.973 7.127 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.200 5.382 -2.504 1.00 0.00 H new ATOM 1513 N ARG A 95 11.045 6.768 -6.386 1.00 0.00 N ATOM 1514 CA ARG A 95 11.211 6.637 -7.819 1.00 0.00 C ATOM 1515 C ARG A 95 12.490 5.919 -8.172 1.00 0.00 C ATOM 1516 O ARG A 95 12.506 5.108 -9.089 1.00 0.00 O ATOM 1517 CB ARG A 95 11.207 8.004 -8.497 1.00 0.00 C ATOM 1518 CG ARG A 95 10.291 8.059 -9.696 1.00 0.00 C ATOM 1519 CD ARG A 95 10.954 8.734 -10.888 1.00 0.00 C ATOM 1520 NE ARG A 95 11.065 10.181 -10.712 1.00 0.00 N ATOM 1521 CZ ARG A 95 10.024 11.011 -10.718 1.00 0.00 C ATOM 1522 NH1 ARG A 95 8.794 10.544 -10.896 1.00 0.00 N ATOM 1523 NH2 ARG A 95 10.212 12.314 -10.547 1.00 0.00 N ATOM 0 H ARG A 95 10.982 7.731 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 95 10.367 6.048 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.900 8.761 -7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.221 8.253 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.993 7.047 -9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.381 8.599 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.947 8.311 -11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.379 8.522 -11.789 1.00 0.00 H new ATOM 0 HE ARG A 95 11.995 10.578 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.642 9.544 -11.029 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.001 11.185 -10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.154 12.680 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.414 12.949 -10.552 1.00 0.00 H new ATOM 1537 N LYS A 96 13.558 6.225 -7.448 1.00 0.00 N ATOM 1538 CA LYS A 96 14.846 5.599 -7.718 1.00 0.00 C ATOM 1539 C LYS A 96 14.770 4.122 -7.404 1.00 0.00 C ATOM 1540 O LYS A 96 15.065 3.271 -8.244 1.00 0.00 O ATOM 1541 CB LYS A 96 15.970 6.257 -6.907 1.00 0.00 C ATOM 1542 CG LYS A 96 16.190 7.735 -7.208 1.00 0.00 C ATOM 1543 CD LYS A 96 15.986 8.059 -8.680 1.00 0.00 C ATOM 1544 CE LYS A 96 17.098 7.478 -9.539 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.062 8.015 -10.929 1.00 0.00 N ATOM 0 H LYS A 96 13.560 6.894 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 96 15.077 5.735 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.747 6.145 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.899 5.719 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.503 8.332 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.200 8.018 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.025 7.664 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.949 9.140 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.063 7.705 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.007 6.392 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.338 7.268 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.099 8.339 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.723 8.814 -11.010 1.00 0.00 H new ATOM 1559 N TYR A 97 14.338 3.830 -6.193 1.00 0.00 N ATOM 1560 CA TYR A 97 14.177 2.463 -5.754 1.00 0.00 C ATOM 1561 C TYR A 97 13.136 1.773 -6.629 1.00 0.00 C ATOM 1562 O TYR A 97 13.238 0.585 -6.914 1.00 0.00 O ATOM 1563 CB TYR A 97 13.781 2.459 -4.280 1.00 0.00 C ATOM 1564 CG TYR A 97 12.821 1.388 -3.895 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.211 0.063 -3.896 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.530 1.707 -3.521 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.333 -0.929 -3.532 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.646 0.727 -3.159 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.050 -0.597 -3.164 1.00 0.00 C ATOM 1570 OH TYR A 97 10.168 -1.588 -2.797 1.00 0.00 O ATOM 0 H TYR A 97 14.091 4.529 -5.493 1.00 0.00 H new ATOM 0 HA TYR A 97 15.111 1.911 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.682 2.354 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.343 3.426 -4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.218 -0.196 -4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.215 2.740 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.648 -1.962 -3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.638 0.985 -2.871 1.00 0.00 H new ATOM 0 HH TYR A 97 10.662 -2.334 -2.396 1.00 0.00 H new ATOM 1580 N GLU A 98 12.157 2.551 -7.080 1.00 0.00 N ATOM 1581 CA GLU A 98 11.108 2.049 -7.954 1.00 0.00 C ATOM 1582 C GLU A 98 11.704 1.685 -9.304 1.00 0.00 C ATOM 1583 O GLU A 98 11.249 0.753 -9.967 1.00 0.00 O ATOM 1584 CB GLU A 98 10.007 3.098 -8.131 1.00 0.00 C ATOM 1585 CG GLU A 98 8.922 3.032 -7.068 1.00 0.00 C ATOM 1586 CD GLU A 98 7.525 3.158 -7.646 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.401 3.604 -8.806 1.00 0.00 O ATOM 1588 OE2 GLU A 98 6.557 2.808 -6.939 1.00 0.00 O ATOM 0 H GLU A 98 12.070 3.541 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 98 10.666 1.161 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.458 4.090 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.550 2.970 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.004 2.088 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.083 3.828 -6.341 1.00 0.00 H new ATOM 1595 N ILE A 99 12.747 2.418 -9.700 1.00 0.00 N ATOM 1596 CA ILE A 99 13.421 2.153 -10.962 1.00 0.00 C ATOM 1597 C ILE A 99 13.923 0.729 -10.975 1.00 0.00 C ATOM 1598 O ILE A 99 13.675 -0.039 -11.904 1.00 0.00 O ATOM 1599 CB ILE A 99 14.624 3.086 -11.192 1.00 0.00 C ATOM 1600 CG1 ILE A 99 14.252 4.522 -10.866 1.00 0.00 C ATOM 1601 CG2 ILE A 99 15.114 2.959 -12.620 1.00 0.00 C ATOM 1602 CD1 ILE A 99 15.311 5.534 -11.241 1.00 0.00 C ATOM 0 H ILE A 99 13.137 3.194 -9.165 1.00 0.00 H new ATOM 0 HA ILE A 99 12.694 2.326 -11.755 1.00 0.00 H new ATOM 0 HB ILE A 99 15.434 2.791 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.326 4.773 -11.383 1.00 0.00 H new ATOM 0 HG13 ILE A 99 14.052 4.601 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 99 15.965 3.623 -12.773 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.418 1.930 -12.810 1.00 0.00 H new ATOM 0 HG23 ILE A 99 14.312 3.233 -13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.969 6.534 -10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 99 16.233 5.312 -10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 99 15.496 5.486 -12.314 1.00 0.00 H new ATOM 1614 N ALA A 100 14.626 0.396 -9.910 1.00 0.00 N ATOM 1615 CA ALA A 100 15.183 -0.935 -9.734 1.00 0.00 C ATOM 1616 C ALA A 100 14.104 -1.957 -9.408 1.00 0.00 C ATOM 1617 O ALA A 100 14.393 -3.131 -9.178 1.00 0.00 O ATOM 1618 CB ALA A 100 16.237 -0.912 -8.639 1.00 0.00 C ATOM 0 H ALA A 100 14.828 1.037 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 100 15.644 -1.235 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.651 -1.912 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.034 -0.222 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.783 -0.585 -7.704 1.00 0.00 H new ATOM 1624 N LYS A 101 12.866 -1.498 -9.374 1.00 0.00 N ATOM 1625 CA LYS A 101 11.741 -2.342 -9.064 1.00 0.00 C ATOM 1626 C LYS A 101 10.880 -2.604 -10.291 1.00 0.00 C ATOM 1627 O LYS A 101 10.562 -3.748 -10.614 1.00 0.00 O ATOM 1628 CB LYS A 101 10.928 -1.661 -7.984 1.00 0.00 C ATOM 1629 CG LYS A 101 11.676 -1.538 -6.672 1.00 0.00 C ATOM 1630 CD LYS A 101 11.465 -2.754 -5.796 1.00 0.00 C ATOM 1631 CE LYS A 101 12.691 -3.655 -5.781 1.00 0.00 C ATOM 1632 NZ LYS A 101 13.889 -2.963 -5.226 1.00 0.00 N ATOM 0 H LYS A 101 12.619 -0.526 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 101 12.102 -3.311 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.639 -0.667 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.008 -2.222 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.740 -1.411 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.341 -0.645 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.235 -2.435 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.604 -3.317 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.479 -4.544 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.905 -3.992 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.640 -2.940 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.635 -1.990 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.228 -3.475 -4.387 1.00 0.00 H new ATOM 1646 N GLY A 102 10.504 -1.528 -10.960 1.00 0.00 N ATOM 1647 CA GLY A 102 9.673 -1.634 -12.146 1.00 0.00 C ATOM 1648 C GLY A 102 8.199 -1.744 -11.804 1.00 0.00 C ATOM 1649 O GLY A 102 7.456 -2.481 -12.453 1.00 0.00 O ATOM 0 H GLY A 102 10.760 -0.575 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.833 -0.761 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.977 -2.507 -12.724 1.00 0.00 H new ATOM 1653 N LEU A 103 7.778 -1.013 -10.775 1.00 0.00 N ATOM 1654 CA LEU A 103 6.384 -1.033 -10.337 1.00 0.00 C ATOM 1655 C LEU A 103 5.676 0.272 -10.682 1.00 0.00 C ATOM 1656 O LEU A 103 4.748 0.694 -9.991 1.00 0.00 O ATOM 1657 CB LEU A 103 6.300 -1.297 -8.827 1.00 0.00 C ATOM 1658 CG LEU A 103 7.629 -1.215 -8.073 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.042 0.236 -7.885 1.00 0.00 C ATOM 1660 CD2 LEU A 103 7.526 -1.923 -6.731 1.00 0.00 C ATOM 0 H LEU A 103 8.382 -0.399 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 103 5.880 -1.841 -10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.607 -0.579 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.874 -2.288 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 103 8.395 -1.717 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.989 0.278 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.157 0.711 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.277 0.761 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.480 -1.854 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.749 -1.451 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.275 -2.971 -6.891 1.00 0.00 H new