USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= 0.54 USER MOD Set 1.2: A 51 THR OG1 : rot -93:sc= -0.0484 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0224 (180deg=-0.215) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 12 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.53) USER MOD Single : A 15 HIS : no HD1:sc= -2.68 X(o=-2.7,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 1:sc= -2.6! USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -4:sc= 0.366 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.51! C(o=-3.5!,f=-4.1!) USER MOD Single : A 27 TYR OH : rot 70:sc= -1.12 USER MOD Single : A 29 CYS SG : rot 35:sc= 0.129 USER MOD Single : A 32 SER OG : rot 43:sc= 0.303 USER MOD Single : A 35 GLN : amide:sc= -0.0848 K(o=-0.085,f=-1.8!) USER MOD Single : A 37 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=-2.5) USER MOD Single : A 40 THR OG1 : rot 27:sc= 0.773 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 7:sc= -1.7 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= -1.08 USER MOD Single : A 58 SER OG : rot 56:sc= 1.33 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.198) USER MOD Single : A 60 LYS NZ :NH3+ -131:sc= -1.35 (180deg=-3.06!) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0.348 (180deg=0.309) USER MOD Single : A 64 HIS : no HD1:sc= -8.79! C(o=-8.8!,f=-8.6!) USER MOD Single : A 72 ASN : amide:sc= -0.118 K(o=-0.12,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.603 6.676 -4.442 1.00 0.00 N ATOM 67 CA LYS A 8 -18.972 6.469 -5.739 1.00 0.00 C ATOM 68 C LYS A 8 -17.485 6.169 -5.579 1.00 0.00 C ATOM 69 O LYS A 8 -16.848 6.621 -4.627 1.00 0.00 O ATOM 70 CB LYS A 8 -19.162 7.702 -6.625 1.00 0.00 C ATOM 71 CG LYS A 8 -20.559 7.823 -7.208 1.00 0.00 C ATOM 72 CD LYS A 8 -20.696 7.031 -8.497 1.00 0.00 C ATOM 73 CE LYS A 8 -22.151 6.710 -8.803 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.700 5.686 -7.871 1.00 0.00 N ATOM 0 HA LYS A 8 -19.449 5.611 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.943 8.596 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.439 7.668 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.289 7.467 -6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.785 8.872 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.267 7.600 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.127 6.105 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.746 7.621 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.236 6.351 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.563 5.272 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.994 4.937 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.927 6.132 -6.960 1.00 0.00 H new ATOM 88 N THR A 9 -16.936 5.404 -6.518 1.00 0.00 N ATOM 89 CA THR A 9 -15.524 5.044 -6.481 1.00 0.00 C ATOM 90 C THR A 9 -14.656 6.166 -7.040 1.00 0.00 C ATOM 91 O THR A 9 -15.098 6.979 -7.851 1.00 0.00 O ATOM 92 CB THR A 9 -15.252 3.754 -7.277 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.934 4.075 -8.636 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.459 2.829 -7.238 1.00 0.00 C ATOM 0 H THR A 9 -17.448 5.022 -7.313 1.00 0.00 H new ATOM 0 HA THR A 9 -15.268 4.877 -5.435 1.00 0.00 H new ATOM 0 HB THR A 9 -14.407 3.241 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.761 3.250 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.243 1.925 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.680 2.563 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.320 3.335 -7.675 1.00 0.00 H new ATOM 102 N PRO A 10 -13.390 6.212 -6.598 1.00 0.00 N ATOM 103 CA PRO A 10 -12.433 7.229 -7.042 1.00 0.00 C ATOM 104 C PRO A 10 -12.021 7.041 -8.498 1.00 0.00 C ATOM 105 O PRO A 10 -11.461 7.946 -9.117 1.00 0.00 O ATOM 106 CB PRO A 10 -11.234 7.017 -6.116 1.00 0.00 C ATOM 107 CG PRO A 10 -11.327 5.591 -5.695 1.00 0.00 C ATOM 108 CD PRO A 10 -12.796 5.274 -5.630 1.00 0.00 C ATOM 0 HA PRO A 10 -12.854 8.233 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.295 7.217 -6.632 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.274 7.687 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.818 4.940 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.851 5.438 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.996 4.237 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.196 5.425 -4.627 1.00 0.00 H new ATOM 116 N ILE A 11 -12.303 5.860 -9.040 1.00 0.00 N ATOM 117 CA ILE A 11 -11.963 5.555 -10.424 1.00 0.00 C ATOM 118 C ILE A 11 -13.103 5.928 -11.366 1.00 0.00 C ATOM 119 O ILE A 11 -12.880 6.218 -12.541 1.00 0.00 O ATOM 120 CB ILE A 11 -11.630 4.062 -10.606 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.624 3.609 -9.546 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.086 3.807 -12.003 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.231 4.157 -9.762 1.00 0.00 C ATOM 0 H ILE A 11 -12.766 5.100 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.083 6.148 -10.670 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.545 3.483 -10.483 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.979 3.919 -8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.580 2.520 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.855 2.748 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.832 4.097 -12.743 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.180 4.394 -12.153 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.571 3.795 -8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.856 3.825 -10.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.261 5.246 -9.738 1.00 0.00 H new ATOM 135 N GLN A 12 -14.324 5.920 -10.840 1.00 0.00 N ATOM 136 CA GLN A 12 -15.499 6.259 -11.634 1.00 0.00 C ATOM 137 C GLN A 12 -15.736 7.766 -11.639 1.00 0.00 C ATOM 138 O GLN A 12 -16.150 8.336 -12.649 1.00 0.00 O ATOM 139 CB GLN A 12 -16.733 5.538 -11.090 1.00 0.00 C ATOM 140 CG GLN A 12 -16.861 4.102 -11.573 1.00 0.00 C ATOM 141 CD GLN A 12 -16.503 3.945 -13.037 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.241 4.385 -13.920 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.365 3.315 -13.304 1.00 0.00 N ATOM 0 H GLN A 12 -14.525 5.683 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.320 5.935 -12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.696 5.544 -10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.625 6.092 -11.382 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.213 3.462 -10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.883 3.759 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.784 2.967 -12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.072 3.180 -14.272 1.00 0.00 H new ATOM 152 N VAL A 13 -15.472 8.405 -10.504 1.00 0.00 N ATOM 153 CA VAL A 13 -15.656 9.846 -10.378 1.00 0.00 C ATOM 154 C VAL A 13 -14.579 10.607 -11.143 1.00 0.00 C ATOM 155 O VAL A 13 -14.880 11.400 -12.037 1.00 0.00 O ATOM 156 CB VAL A 13 -15.631 10.288 -8.902 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.678 11.805 -8.798 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.785 9.657 -8.138 1.00 0.00 C ATOM 0 H VAL A 13 -15.130 7.948 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.632 10.079 -10.803 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.698 9.946 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.660 12.098 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.815 12.232 -9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.593 12.173 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.752 9.980 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.730 9.967 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.701 8.571 -8.184 1.00 0.00 H new ATOM 168 N LEU A 14 -13.323 10.361 -10.788 1.00 0.00 N ATOM 169 CA LEU A 14 -12.199 11.023 -11.441 1.00 0.00 C ATOM 170 C LEU A 14 -12.344 10.969 -12.959 1.00 0.00 C ATOM 171 O LEU A 14 -12.522 11.998 -13.613 1.00 0.00 O ATOM 172 CB LEU A 14 -10.882 10.369 -11.020 1.00 0.00 C ATOM 173 CG LEU A 14 -9.660 11.288 -10.980 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.378 10.470 -10.966 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.672 12.243 -12.165 1.00 0.00 C ATOM 0 H LEU A 14 -13.057 9.708 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.194 12.068 -11.131 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.016 9.932 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.672 9.548 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.702 11.877 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.519 11.140 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.366 9.827 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.329 9.855 -11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.795 12.889 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.655 11.672 -13.093 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.575 12.853 -12.131 1.00 0.00 H new ATOM 187 N HIS A 15 -12.269 9.763 -13.513 1.00 0.00 N ATOM 188 CA HIS A 15 -12.395 9.575 -14.954 1.00 0.00 C ATOM 189 C HIS A 15 -13.628 10.295 -15.491 1.00 0.00 C ATOM 190 O HIS A 15 -13.515 11.272 -16.231 1.00 0.00 O ATOM 191 CB HIS A 15 -12.472 8.086 -15.291 1.00 0.00 C ATOM 192 CG HIS A 15 -12.389 7.798 -16.758 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.303 8.147 -17.533 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.264 7.190 -17.592 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.514 7.766 -18.780 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.697 7.183 -18.843 1.00 0.00 N ATOM 0 H HIS A 15 -12.122 8.902 -12.986 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.512 10.002 -15.429 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.663 7.564 -14.781 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.407 7.682 -14.902 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.229 6.785 -17.324 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.834 7.907 -19.607 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.121 6.791 -19.684 1.00 0.00 H new ATOM 204 N GLU A 16 -14.805 9.806 -15.112 1.00 0.00 N ATOM 205 CA GLU A 16 -16.058 10.402 -15.558 1.00 0.00 C ATOM 206 C GLU A 16 -15.972 11.926 -15.543 1.00 0.00 C ATOM 207 O GLU A 16 -16.431 12.593 -16.470 1.00 0.00 O ATOM 208 CB GLU A 16 -17.214 9.938 -14.668 1.00 0.00 C ATOM 209 CG GLU A 16 -17.547 8.463 -14.824 1.00 0.00 C ATOM 210 CD GLU A 16 -18.471 8.194 -15.995 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.506 8.884 -16.106 1.00 0.00 O ATOM 212 OE2 GLU A 16 -18.159 7.293 -16.802 1.00 0.00 O ATOM 0 H GLU A 16 -14.916 8.999 -14.498 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.242 10.075 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.962 10.137 -13.626 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.100 10.529 -14.900 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.624 7.898 -14.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.013 8.101 -13.908 1.00 0.00 H new ATOM 219 N TYR A 17 -15.380 12.468 -14.484 1.00 0.00 N ATOM 220 CA TYR A 17 -15.235 13.913 -14.347 1.00 0.00 C ATOM 221 C TYR A 17 -14.334 14.477 -15.441 1.00 0.00 C ATOM 222 O TYR A 17 -14.726 15.377 -16.182 1.00 0.00 O ATOM 223 CB TYR A 17 -14.665 14.260 -12.971 1.00 0.00 C ATOM 224 CG TYR A 17 -13.987 15.610 -12.920 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.729 16.784 -12.951 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.603 15.712 -12.838 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.113 18.020 -12.906 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.979 16.943 -12.791 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.738 18.094 -12.825 1.00 0.00 C ATOM 230 OH TYR A 17 -12.121 19.324 -12.778 1.00 0.00 O ATOM 0 H TYR A 17 -14.993 11.929 -13.709 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.222 14.363 -14.448 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.471 14.240 -12.237 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.949 13.492 -12.679 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.806 16.730 -13.011 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.005 14.813 -12.811 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.705 18.923 -12.934 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.903 17.004 -12.728 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.799 20.031 -12.795 1.00 0.00 H new ATOM 240 N GLY A 18 -13.122 13.939 -15.535 1.00 0.00 N ATOM 241 CA GLY A 18 -12.182 14.399 -16.541 1.00 0.00 C ATOM 242 C GLY A 18 -12.866 14.802 -17.832 1.00 0.00 C ATOM 243 O GLY A 18 -12.557 15.846 -18.406 1.00 0.00 O ATOM 0 H GLY A 18 -12.774 13.193 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.622 15.248 -16.149 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.460 13.609 -16.747 1.00 0.00 H new ATOM 247 N MET A 19 -13.797 13.971 -18.291 1.00 0.00 N ATOM 248 CA MET A 19 -14.526 14.247 -19.523 1.00 0.00 C ATOM 249 C MET A 19 -15.058 15.676 -19.532 1.00 0.00 C ATOM 250 O MET A 19 -14.913 16.398 -20.519 1.00 0.00 O ATOM 251 CB MET A 19 -15.682 13.259 -19.689 1.00 0.00 C ATOM 252 CG MET A 19 -15.230 11.817 -19.858 1.00 0.00 C ATOM 253 SD MET A 19 -16.611 10.674 -20.051 1.00 0.00 S ATOM 254 CE MET A 19 -15.803 9.109 -19.723 1.00 0.00 C ATOM 0 H MET A 19 -14.064 13.102 -17.828 1.00 0.00 H new ATOM 0 HA MET A 19 -13.835 14.130 -20.358 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.335 13.327 -18.819 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.275 13.549 -20.556 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.579 11.744 -20.729 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.638 11.522 -18.992 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.529 8.300 -19.805 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.004 8.953 -20.448 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.384 9.120 -18.717 1.00 0.00 H new ATOM 264 N LYS A 20 -15.676 16.080 -18.427 1.00 0.00 N ATOM 265 CA LYS A 20 -16.230 17.423 -18.306 1.00 0.00 C ATOM 266 C LYS A 20 -15.157 18.478 -18.557 1.00 0.00 C ATOM 267 O LYS A 20 -15.367 19.424 -19.318 1.00 0.00 O ATOM 268 CB LYS A 20 -16.841 17.622 -16.917 1.00 0.00 C ATOM 269 CG LYS A 20 -18.317 17.269 -16.846 1.00 0.00 C ATOM 270 CD LYS A 20 -18.523 15.794 -16.545 1.00 0.00 C ATOM 271 CE LYS A 20 -18.330 15.495 -15.066 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.521 15.883 -14.261 1.00 0.00 N ATOM 0 H LYS A 20 -15.806 15.495 -17.601 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.010 17.537 -19.059 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.295 17.011 -16.198 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.710 18.662 -16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.799 17.870 -16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.798 17.519 -17.792 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.526 15.496 -16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.822 15.200 -17.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.133 14.431 -14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.454 16.030 -14.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.349 15.663 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.694 16.903 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.352 15.354 -14.594 1.00 0.00 H new ATOM 286 N THR A 21 -14.006 18.310 -17.913 1.00 0.00 N ATOM 287 CA THR A 21 -12.901 19.247 -18.066 1.00 0.00 C ATOM 288 C THR A 21 -12.042 18.892 -19.274 1.00 0.00 C ATOM 289 O THR A 21 -10.832 19.120 -19.278 1.00 0.00 O ATOM 290 CB THR A 21 -12.011 19.277 -16.809 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.463 17.977 -16.566 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.806 19.733 -15.595 1.00 0.00 C ATOM 0 H THR A 21 -13.815 17.533 -17.280 1.00 0.00 H new ATOM 0 HA THR A 21 -13.342 20.233 -18.214 1.00 0.00 H new ATOM 0 HB THR A 21 -11.201 19.986 -16.980 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.833 17.340 -17.212 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.157 19.746 -14.719 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.198 20.735 -15.772 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.634 19.045 -15.423 1.00 0.00 H new ATOM 300 N LYS A 22 -12.675 18.332 -20.300 1.00 0.00 N ATOM 301 CA LYS A 22 -11.969 17.946 -21.517 1.00 0.00 C ATOM 302 C LYS A 22 -10.583 17.400 -21.191 1.00 0.00 C ATOM 303 O LYS A 22 -9.647 17.548 -21.977 1.00 0.00 O ATOM 304 CB LYS A 22 -11.849 19.143 -22.462 1.00 0.00 C ATOM 305 CG LYS A 22 -13.179 19.804 -22.779 1.00 0.00 C ATOM 306 CD LYS A 22 -13.558 20.829 -21.724 1.00 0.00 C ATOM 307 CE LYS A 22 -14.768 21.647 -22.149 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.822 22.962 -21.453 1.00 0.00 N ATOM 0 H LYS A 22 -13.676 18.135 -20.313 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.543 17.160 -22.008 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.183 19.882 -22.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.385 18.816 -23.392 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.122 20.288 -23.754 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.957 19.044 -22.845 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.773 20.322 -20.783 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.714 21.494 -21.542 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.737 21.808 -23.227 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.678 21.086 -21.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.661 23.489 -21.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.877 22.809 -20.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.966 23.508 -21.676 1.00 0.00 H new ATOM 322 N ASN A 23 -10.458 16.768 -20.029 1.00 0.00 N ATOM 323 CA ASN A 23 -9.185 16.199 -19.601 1.00 0.00 C ATOM 324 C ASN A 23 -9.397 14.864 -18.894 1.00 0.00 C ATOM 325 O ASN A 23 -9.950 14.812 -17.795 1.00 0.00 O ATOM 326 CB ASN A 23 -8.455 17.171 -18.672 1.00 0.00 C ATOM 327 CG ASN A 23 -8.227 18.525 -19.315 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.845 18.614 -20.482 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.461 19.588 -18.555 1.00 0.00 N ATOM 0 H ASN A 23 -11.223 16.637 -19.367 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.575 16.028 -20.488 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.034 17.299 -17.757 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.495 16.742 -18.384 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.325 20.525 -18.933 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.777 19.467 -17.593 1.00 0.00 H new ATOM 336 N ILE A 24 -8.952 13.786 -19.531 1.00 0.00 N ATOM 337 CA ILE A 24 -9.091 12.451 -18.963 1.00 0.00 C ATOM 338 C ILE A 24 -7.842 12.053 -18.182 1.00 0.00 C ATOM 339 O ILE A 24 -6.712 12.296 -18.605 1.00 0.00 O ATOM 340 CB ILE A 24 -9.356 11.399 -20.055 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.620 11.754 -20.840 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.482 10.014 -19.438 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.840 11.948 -19.967 1.00 0.00 C ATOM 0 H ILE A 24 -8.492 13.811 -20.441 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.945 12.484 -18.287 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.512 11.393 -20.744 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.441 12.667 -21.408 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.823 10.964 -21.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.669 9.282 -20.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.557 9.761 -18.919 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.310 10.005 -18.729 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.698 12.197 -20.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.045 11.028 -19.419 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.657 12.758 -19.261 1.00 0.00 H new ATOM 355 N PRO A 25 -8.049 11.426 -17.015 1.00 0.00 N ATOM 356 CA PRO A 25 -6.952 10.978 -16.152 1.00 0.00 C ATOM 357 C PRO A 25 -6.179 9.811 -16.755 1.00 0.00 C ATOM 358 O PRO A 25 -6.708 8.708 -16.894 1.00 0.00 O ATOM 359 CB PRO A 25 -7.666 10.542 -14.870 1.00 0.00 C ATOM 360 CG PRO A 25 -9.044 10.182 -15.307 1.00 0.00 C ATOM 361 CD PRO A 25 -9.370 11.103 -16.449 1.00 0.00 C ATOM 0 HA PRO A 25 -6.209 11.760 -15.998 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.163 9.693 -14.406 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.682 11.345 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.094 9.139 -15.620 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.757 10.304 -14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.015 10.620 -17.183 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.891 11.998 -16.108 1.00 0.00 H new ATOM 369 N VAL A 26 -4.923 10.060 -17.111 1.00 0.00 N ATOM 370 CA VAL A 26 -4.075 9.029 -17.697 1.00 0.00 C ATOM 371 C VAL A 26 -3.467 8.139 -16.620 1.00 0.00 C ATOM 372 O VAL A 26 -3.208 8.587 -15.503 1.00 0.00 O ATOM 373 CB VAL A 26 -2.942 9.645 -18.539 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.507 10.612 -19.569 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.930 10.341 -17.642 1.00 0.00 C ATOM 0 H VAL A 26 -4.470 10.968 -17.004 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.712 8.426 -18.344 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.431 8.843 -19.071 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.692 11.037 -20.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.190 10.080 -20.231 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.044 11.412 -19.060 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.136 10.770 -18.254 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.425 11.134 -17.081 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.502 9.618 -16.947 1.00 0.00 H new ATOM 385 N TYR A 27 -3.239 6.876 -16.962 1.00 0.00 N ATOM 386 CA TYR A 27 -2.662 5.921 -16.023 1.00 0.00 C ATOM 387 C TYR A 27 -1.532 5.131 -16.676 1.00 0.00 C ATOM 388 O TYR A 27 -1.729 4.474 -17.697 1.00 0.00 O ATOM 389 CB TYR A 27 -3.739 4.963 -15.511 1.00 0.00 C ATOM 390 CG TYR A 27 -4.797 5.638 -14.667 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.823 6.367 -15.255 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.771 5.544 -13.281 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.791 6.985 -14.488 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.736 6.158 -12.505 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.743 6.878 -13.113 1.00 0.00 C ATOM 396 OH TYR A 27 -7.707 7.491 -12.345 1.00 0.00 O ATOM 0 H TYR A 27 -3.445 6.489 -17.883 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.252 6.479 -15.181 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.219 4.480 -16.362 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.265 4.177 -14.924 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.864 6.452 -16.331 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.983 4.982 -12.802 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.581 7.549 -14.962 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.702 6.074 -11.429 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.563 7.029 -12.464 1.00 0.00 H new ATOM 406 N GLU A 28 -0.347 5.200 -16.076 1.00 0.00 N ATOM 407 CA GLU A 28 0.815 4.492 -16.598 1.00 0.00 C ATOM 408 C GLU A 28 1.605 3.836 -15.469 1.00 0.00 C ATOM 409 O GLU A 28 1.708 4.383 -14.370 1.00 0.00 O ATOM 410 CB GLU A 28 1.717 5.451 -17.377 1.00 0.00 C ATOM 411 CG GLU A 28 0.957 6.551 -18.099 1.00 0.00 C ATOM 412 CD GLU A 28 1.877 7.541 -18.786 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.678 8.193 -18.085 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.795 7.664 -20.027 1.00 0.00 O ATOM 0 H GLU A 28 -0.167 5.739 -15.229 1.00 0.00 H new ATOM 0 HA GLU A 28 0.461 3.711 -17.271 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.430 5.905 -16.689 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.295 4.882 -18.105 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.293 6.104 -18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.327 7.081 -17.385 1.00 0.00 H new ATOM 421 N CYS A 29 2.161 2.663 -15.748 1.00 0.00 N ATOM 422 CA CYS A 29 2.941 1.931 -14.756 1.00 0.00 C ATOM 423 C CYS A 29 4.423 2.276 -14.867 1.00 0.00 C ATOM 424 O CYS A 29 5.049 2.036 -15.898 1.00 0.00 O ATOM 425 CB CYS A 29 2.741 0.425 -14.929 1.00 0.00 C ATOM 426 SG CYS A 29 3.194 -0.196 -16.566 1.00 0.00 S ATOM 0 H CYS A 29 2.087 2.198 -16.653 1.00 0.00 H new ATOM 0 HA CYS A 29 2.591 2.225 -13.766 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.332 -0.098 -14.177 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.696 0.184 -14.737 1.00 0.00 H new ATOM 0 HG CYS A 29 4.214 0.472 -17.017 1.00 0.00 H new ATOM 432 N GLU A 30 4.975 2.842 -13.798 1.00 0.00 N ATOM 433 CA GLU A 30 6.383 3.222 -13.778 1.00 0.00 C ATOM 434 C GLU A 30 7.254 2.060 -13.310 1.00 0.00 C ATOM 435 O GLU A 30 8.143 1.608 -14.031 1.00 0.00 O ATOM 436 CB GLU A 30 6.594 4.432 -12.865 1.00 0.00 C ATOM 437 CG GLU A 30 6.159 5.748 -13.487 1.00 0.00 C ATOM 438 CD GLU A 30 6.486 6.943 -12.614 1.00 0.00 C ATOM 439 OE1 GLU A 30 5.795 7.137 -11.592 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.433 7.684 -12.952 1.00 0.00 O ATOM 0 H GLU A 30 4.470 3.047 -12.936 1.00 0.00 H new ATOM 0 HA GLU A 30 6.676 3.486 -14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.041 4.278 -11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.649 4.497 -12.600 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.646 5.866 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.085 5.721 -13.671 1.00 0.00 H new ATOM 447 N ARG A 31 6.991 1.581 -12.099 1.00 0.00 N ATOM 448 CA ARG A 31 7.751 0.473 -11.533 1.00 0.00 C ATOM 449 C ARG A 31 6.842 -0.718 -11.244 1.00 0.00 C ATOM 450 O ARG A 31 5.767 -0.565 -10.664 1.00 0.00 O ATOM 451 CB ARG A 31 8.457 0.913 -10.249 1.00 0.00 C ATOM 452 CG ARG A 31 9.744 1.684 -10.495 1.00 0.00 C ATOM 453 CD ARG A 31 10.587 1.778 -9.233 1.00 0.00 C ATOM 454 NE ARG A 31 11.284 0.527 -8.946 1.00 0.00 N ATOM 455 CZ ARG A 31 12.426 0.173 -9.525 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.996 0.971 -10.417 1.00 0.00 N ATOM 457 NH2 ARG A 31 13.000 -0.981 -9.211 1.00 0.00 N ATOM 0 H ARG A 31 6.257 1.943 -11.490 1.00 0.00 H new ATOM 0 HA ARG A 31 8.500 0.168 -12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.777 1.534 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.680 0.032 -9.647 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.318 1.194 -11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.506 2.687 -10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.315 2.582 -9.342 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.948 2.039 -8.389 1.00 0.00 H new ATOM 0 HE ARG A 31 10.871 -0.109 -8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.558 1.859 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.873 0.697 -10.860 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.564 -1.597 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.877 -1.252 -9.656 1.00 0.00 H new ATOM 471 N SER A 32 7.282 -1.904 -11.653 1.00 0.00 N ATOM 472 CA SER A 32 6.507 -3.121 -11.441 1.00 0.00 C ATOM 473 C SER A 32 7.397 -4.252 -10.937 1.00 0.00 C ATOM 474 O SER A 32 8.281 -4.727 -11.651 1.00 0.00 O ATOM 475 CB SER A 32 5.815 -3.542 -12.739 1.00 0.00 C ATOM 476 OG SER A 32 6.741 -3.617 -13.810 1.00 0.00 O ATOM 0 H SER A 32 8.171 -2.048 -12.133 1.00 0.00 H new ATOM 0 HA SER A 32 5.751 -2.913 -10.684 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.335 -4.511 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.028 -2.828 -12.984 1.00 0.00 H new ATOM 0 HG SER A 32 7.564 -4.050 -13.501 1.00 0.00 H new ATOM 482 N ASP A 33 7.159 -4.678 -9.702 1.00 0.00 N ATOM 483 CA ASP A 33 7.938 -5.754 -9.100 1.00 0.00 C ATOM 484 C ASP A 33 7.055 -6.962 -8.799 1.00 0.00 C ATOM 485 O ASP A 33 6.002 -6.834 -8.175 1.00 0.00 O ATOM 486 CB ASP A 33 8.613 -5.268 -7.816 1.00 0.00 C ATOM 487 CG ASP A 33 9.891 -4.500 -8.089 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.524 -4.754 -9.136 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.258 -3.644 -7.257 1.00 0.00 O ATOM 0 H ASP A 33 6.432 -4.295 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 33 8.705 -6.056 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.921 -4.632 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.836 -6.124 -7.180 1.00 0.00 H new ATOM 494 N VAL A 34 7.492 -8.134 -9.249 1.00 0.00 N ATOM 495 CA VAL A 34 6.742 -9.365 -9.028 1.00 0.00 C ATOM 496 C VAL A 34 7.538 -10.348 -8.178 1.00 0.00 C ATOM 497 O VAL A 34 8.387 -11.079 -8.688 1.00 0.00 O ATOM 498 CB VAL A 34 6.368 -10.041 -10.361 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.217 -9.303 -11.029 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.577 -10.106 -11.282 1.00 0.00 C ATOM 0 H VAL A 34 8.361 -8.257 -9.769 1.00 0.00 H new ATOM 0 HA VAL A 34 5.829 -9.089 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 34 6.043 -11.060 -10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.966 -9.794 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.348 -9.313 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.511 -8.272 -11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.295 -10.586 -12.219 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.934 -9.096 -11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.369 -10.682 -10.803 1.00 0.00 H new ATOM 510 N GLN A 35 7.257 -10.362 -6.879 1.00 0.00 N ATOM 511 CA GLN A 35 7.948 -11.256 -5.958 1.00 0.00 C ATOM 512 C GLN A 35 6.953 -12.005 -5.077 1.00 0.00 C ATOM 513 O GLN A 35 7.168 -13.167 -4.731 1.00 0.00 O ATOM 514 CB GLN A 35 8.926 -10.468 -5.085 1.00 0.00 C ATOM 515 CG GLN A 35 10.017 -9.764 -5.878 1.00 0.00 C ATOM 516 CD GLN A 35 10.672 -8.642 -5.098 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.084 -8.092 -4.166 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.897 -8.294 -5.476 1.00 0.00 N ATOM 0 H GLN A 35 6.556 -9.765 -6.441 1.00 0.00 H new ATOM 0 HA GLN A 35 8.504 -11.984 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.371 -9.727 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.389 -11.147 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.776 -10.490 -6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.591 -9.362 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.347 -8.777 -6.254 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.388 -7.544 -4.988 1.00 0.00 H new ATOM 527 N ILE A 36 5.865 -11.332 -4.719 1.00 0.00 N ATOM 528 CA ILE A 36 4.837 -11.935 -3.879 1.00 0.00 C ATOM 529 C ILE A 36 3.517 -12.061 -4.632 1.00 0.00 C ATOM 530 O ILE A 36 3.341 -11.476 -5.701 1.00 0.00 O ATOM 531 CB ILE A 36 4.606 -11.115 -2.596 1.00 0.00 C ATOM 532 CG1 ILE A 36 4.035 -9.738 -2.940 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.904 -10.976 -1.816 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.082 -8.746 -3.397 1.00 0.00 C ATOM 0 H ILE A 36 5.672 -10.370 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 36 5.194 -12.928 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 36 3.884 -11.641 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.286 -9.850 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.524 -9.337 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.725 -10.394 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.273 -11.965 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.646 -10.469 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.605 -7.792 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.819 -8.605 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.577 -9.125 -4.291 1.00 0.00 H new ATOM 546 N HIS A 37 2.590 -12.828 -4.066 1.00 0.00 N ATOM 547 CA HIS A 37 1.284 -13.030 -4.683 1.00 0.00 C ATOM 548 C HIS A 37 0.683 -11.701 -5.131 1.00 0.00 C ATOM 549 O HIS A 37 -0.060 -11.643 -6.111 1.00 0.00 O ATOM 550 CB HIS A 37 0.337 -13.727 -3.705 1.00 0.00 C ATOM 551 CG HIS A 37 0.055 -12.926 -2.471 1.00 0.00 C ATOM 552 ND1 HIS A 37 1.011 -12.658 -1.514 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.083 -12.333 -2.041 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.472 -11.936 -0.548 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.798 -11.725 -0.844 1.00 0.00 N ATOM 0 H HIS A 37 2.719 -13.319 -3.182 1.00 0.00 H new ATOM 0 HA HIS A 37 1.418 -13.662 -5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.604 -13.940 -4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.768 -14.686 -3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.038 -12.337 -2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.983 -11.579 0.334 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.459 -11.196 -0.275 1.00 0.00 H new ATOM 563 N VAL A 38 1.009 -10.635 -4.407 1.00 0.00 N ATOM 564 CA VAL A 38 0.503 -9.307 -4.730 1.00 0.00 C ATOM 565 C VAL A 38 1.640 -8.359 -5.094 1.00 0.00 C ATOM 566 O VAL A 38 2.332 -7.820 -4.230 1.00 0.00 O ATOM 567 CB VAL A 38 -0.294 -8.709 -3.555 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.438 -8.939 -2.241 1.00 0.00 C ATOM 569 CG2 VAL A 38 -0.544 -7.226 -3.782 1.00 0.00 C ATOM 0 H VAL A 38 1.622 -10.666 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.160 -9.421 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.259 -9.213 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.140 -8.510 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.561 -10.009 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.418 -8.463 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.108 -6.819 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.410 -6.705 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.113 -7.090 -4.702 1.00 0.00 H new ATOM 579 N PRO A 39 1.839 -8.148 -6.403 1.00 0.00 N ATOM 580 CA PRO A 39 2.891 -7.263 -6.912 1.00 0.00 C ATOM 581 C PRO A 39 2.604 -5.794 -6.620 1.00 0.00 C ATOM 582 O PRO A 39 1.560 -5.453 -6.063 1.00 0.00 O ATOM 583 CB PRO A 39 2.872 -7.521 -8.421 1.00 0.00 C ATOM 584 CG PRO A 39 1.489 -7.994 -8.708 1.00 0.00 C ATOM 585 CD PRO A 39 1.051 -8.757 -7.488 1.00 0.00 C ATOM 0 HA PRO A 39 3.854 -7.463 -6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.104 -6.615 -8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.613 -8.269 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.822 -7.154 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.470 -8.629 -9.593 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.020 -8.654 -7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.258 -9.823 -7.585 1.00 0.00 H new ATOM 593 N THR A 40 3.538 -4.927 -6.999 1.00 0.00 N ATOM 594 CA THR A 40 3.386 -3.495 -6.776 1.00 0.00 C ATOM 595 C THR A 40 3.555 -2.716 -8.076 1.00 0.00 C ATOM 596 O THR A 40 4.614 -2.756 -8.702 1.00 0.00 O ATOM 597 CB THR A 40 4.405 -2.975 -5.744 1.00 0.00 C ATOM 598 OG1 THR A 40 5.735 -3.113 -6.256 1.00 0.00 O ATOM 599 CG2 THR A 40 4.280 -3.734 -4.431 1.00 0.00 C ATOM 0 H THR A 40 4.408 -5.192 -7.462 1.00 0.00 H new ATOM 0 HA THR A 40 2.378 -3.341 -6.390 1.00 0.00 H new ATOM 0 HB THR A 40 4.196 -1.922 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.712 -3.095 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.009 -3.350 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.275 -3.603 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.466 -4.794 -4.604 1.00 0.00 H new ATOM 607 N PHE A 41 2.504 -2.006 -8.475 1.00 0.00 N ATOM 608 CA PHE A 41 2.536 -1.217 -9.701 1.00 0.00 C ATOM 609 C PHE A 41 2.335 0.265 -9.399 1.00 0.00 C ATOM 610 O PHE A 41 1.325 0.661 -8.818 1.00 0.00 O ATOM 611 CB PHE A 41 1.459 -1.702 -10.673 1.00 0.00 C ATOM 612 CG PHE A 41 1.841 -2.949 -11.418 1.00 0.00 C ATOM 613 CD1 PHE A 41 2.219 -4.093 -10.733 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.822 -2.978 -12.803 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.570 -5.242 -11.416 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.172 -4.124 -13.491 1.00 0.00 C ATOM 617 CZ PHE A 41 2.548 -5.257 -12.797 1.00 0.00 C ATOM 0 H PHE A 41 1.620 -1.961 -7.967 1.00 0.00 H new ATOM 0 HA PHE A 41 3.515 -1.346 -10.161 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.538 -1.887 -10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.246 -0.910 -11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.239 -4.086 -9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.530 -2.094 -13.351 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.861 -6.127 -10.870 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.152 -4.134 -14.571 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.824 -6.153 -13.333 1.00 0.00 H new ATOM 627 N THR A 42 3.306 1.081 -9.799 1.00 0.00 N ATOM 628 CA THR A 42 3.238 2.519 -9.570 1.00 0.00 C ATOM 629 C THR A 42 2.491 3.220 -10.699 1.00 0.00 C ATOM 630 O THR A 42 3.045 3.451 -11.774 1.00 0.00 O ATOM 631 CB THR A 42 4.644 3.134 -9.440 1.00 0.00 C ATOM 632 OG1 THR A 42 5.364 2.493 -8.381 1.00 0.00 O ATOM 633 CG2 THR A 42 4.558 4.629 -9.169 1.00 0.00 C ATOM 0 H THR A 42 4.148 0.770 -10.283 1.00 0.00 H new ATOM 0 HA THR A 42 2.698 2.665 -8.635 1.00 0.00 H new ATOM 0 HB THR A 42 5.171 2.981 -10.382 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.257 2.889 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.563 5.041 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.036 5.118 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.013 4.800 -8.240 1.00 0.00 H new ATOM 641 N PHE A 43 1.231 3.558 -10.448 1.00 0.00 N ATOM 642 CA PHE A 43 0.408 4.234 -11.444 1.00 0.00 C ATOM 643 C PHE A 43 0.473 5.748 -11.268 1.00 0.00 C ATOM 644 O PHE A 43 0.290 6.263 -10.165 1.00 0.00 O ATOM 645 CB PHE A 43 -1.044 3.759 -11.343 1.00 0.00 C ATOM 646 CG PHE A 43 -1.351 2.580 -12.221 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.306 2.696 -13.601 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.685 1.355 -11.666 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.589 1.612 -14.411 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.969 0.268 -12.471 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.920 0.396 -13.845 1.00 0.00 C ATOM 0 H PHE A 43 0.757 3.375 -9.563 1.00 0.00 H new ATOM 0 HA PHE A 43 0.798 3.984 -12.431 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.261 3.497 -10.307 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.707 4.582 -11.609 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.047 3.644 -14.049 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.724 1.248 -10.592 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.551 1.716 -15.485 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.229 -0.681 -12.026 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.140 -0.453 -14.476 1.00 0.00 H new ATOM 661 N ARG A 44 0.737 6.454 -12.362 1.00 0.00 N ATOM 662 CA ARG A 44 0.829 7.909 -12.329 1.00 0.00 C ATOM 663 C ARG A 44 -0.396 8.546 -12.978 1.00 0.00 C ATOM 664 O ARG A 44 -0.671 8.328 -14.158 1.00 0.00 O ATOM 665 CB ARG A 44 2.099 8.377 -13.042 1.00 0.00 C ATOM 666 CG ARG A 44 2.474 9.818 -12.734 1.00 0.00 C ATOM 667 CD ARG A 44 3.724 10.241 -13.489 1.00 0.00 C ATOM 668 NE ARG A 44 4.233 11.530 -13.026 1.00 0.00 N ATOM 669 CZ ARG A 44 5.424 12.013 -13.362 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.224 11.319 -14.159 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.816 13.194 -12.900 1.00 0.00 N ATOM 0 H ARG A 44 0.891 6.042 -13.282 1.00 0.00 H new ATOM 0 HA ARG A 44 0.870 8.222 -11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.926 7.726 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.963 8.268 -14.118 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.647 10.476 -13.001 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.639 9.931 -11.663 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.496 9.481 -13.367 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.501 10.301 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 44 3.642 12.089 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.926 10.411 -14.516 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.138 11.693 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.203 13.731 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.731 13.565 -13.158 1.00 0.00 H new ATOM 685 N VAL A 45 -1.130 9.334 -12.199 1.00 0.00 N ATOM 686 CA VAL A 45 -2.325 10.004 -12.698 1.00 0.00 C ATOM 687 C VAL A 45 -2.047 11.472 -13.001 1.00 0.00 C ATOM 688 O VAL A 45 -1.611 12.226 -12.130 1.00 0.00 O ATOM 689 CB VAL A 45 -3.484 9.910 -11.687 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.345 10.979 -10.615 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.823 10.029 -12.400 1.00 0.00 C ATOM 0 H VAL A 45 -0.918 9.524 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.612 9.495 -13.618 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.442 8.935 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.172 10.897 -9.910 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.402 10.843 -10.085 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.361 11.965 -11.080 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.631 9.961 -11.671 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.878 10.989 -12.913 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.921 9.223 -13.127 1.00 0.00 H new ATOM 701 N THR A 46 -2.303 11.873 -14.242 1.00 0.00 N ATOM 702 CA THR A 46 -2.080 13.251 -14.661 1.00 0.00 C ATOM 703 C THR A 46 -3.366 13.882 -15.182 1.00 0.00 C ATOM 704 O THR A 46 -3.852 13.530 -16.257 1.00 0.00 O ATOM 705 CB THR A 46 -1.000 13.337 -15.756 1.00 0.00 C ATOM 706 OG1 THR A 46 0.254 12.871 -15.245 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.849 14.766 -16.257 1.00 0.00 C ATOM 0 H THR A 46 -2.665 11.263 -14.975 1.00 0.00 H new ATOM 0 HA THR A 46 -1.740 13.798 -13.781 1.00 0.00 H new ATOM 0 HB THR A 46 -1.309 12.707 -16.590 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.935 12.927 -15.948 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.081 14.801 -17.029 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.797 15.108 -16.672 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.561 15.413 -15.429 1.00 0.00 H new ATOM 715 N VAL A 47 -3.913 14.819 -14.413 1.00 0.00 N ATOM 716 CA VAL A 47 -5.143 15.501 -14.798 1.00 0.00 C ATOM 717 C VAL A 47 -4.917 17.002 -14.939 1.00 0.00 C ATOM 718 O VAL A 47 -4.771 17.715 -13.947 1.00 0.00 O ATOM 719 CB VAL A 47 -6.265 15.257 -13.771 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.490 16.092 -14.111 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.618 13.778 -13.711 1.00 0.00 C ATOM 0 H VAL A 47 -3.524 15.123 -13.520 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.446 15.089 -15.761 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.908 15.563 -12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.272 15.907 -13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.224 17.149 -14.100 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.853 15.819 -15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.412 13.623 -12.981 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.957 13.445 -14.692 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.738 13.206 -13.417 1.00 0.00 H new ATOM 731 N GLY A 48 -4.889 17.477 -16.181 1.00 0.00 N ATOM 732 CA GLY A 48 -4.681 18.891 -16.430 1.00 0.00 C ATOM 733 C GLY A 48 -3.317 19.366 -15.971 1.00 0.00 C ATOM 734 O GLY A 48 -2.351 19.334 -16.734 1.00 0.00 O ATOM 0 H GLY A 48 -5.007 16.907 -17.019 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.791 19.089 -17.496 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.453 19.464 -15.918 1.00 0.00 H new ATOM 738 N ASP A 49 -3.237 19.810 -14.721 1.00 0.00 N ATOM 739 CA ASP A 49 -1.981 20.294 -14.160 1.00 0.00 C ATOM 740 C ASP A 49 -1.567 19.460 -12.952 1.00 0.00 C ATOM 741 O ASP A 49 -0.390 19.411 -12.593 1.00 0.00 O ATOM 742 CB ASP A 49 -2.110 21.765 -13.761 1.00 0.00 C ATOM 743 CG ASP A 49 -1.740 22.707 -14.890 1.00 0.00 C ATOM 744 OD1 ASP A 49 -2.449 22.707 -15.918 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.741 23.442 -14.746 1.00 0.00 O ATOM 0 H ASP A 49 -4.027 19.845 -14.077 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.210 20.199 -14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.134 21.964 -13.447 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.469 21.963 -12.902 1.00 0.00 H new ATOM 750 N ILE A 50 -2.542 18.808 -12.328 1.00 0.00 N ATOM 751 CA ILE A 50 -2.279 17.976 -11.161 1.00 0.00 C ATOM 752 C ILE A 50 -1.778 16.595 -11.571 1.00 0.00 C ATOM 753 O ILE A 50 -2.352 15.949 -12.448 1.00 0.00 O ATOM 754 CB ILE A 50 -3.538 17.815 -10.289 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.146 19.184 -9.974 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.202 17.071 -9.005 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.604 19.121 -9.575 1.00 0.00 C ATOM 0 H ILE A 50 -3.521 18.840 -12.611 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.507 18.482 -10.581 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.273 17.231 -10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.577 19.648 -9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.044 19.827 -10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.102 16.965 -8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.810 16.083 -9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.452 17.631 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.968 20.127 -9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.185 18.686 -10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.711 18.504 -8.683 1.00 0.00 H new ATOM 769 N THR A 51 -0.705 16.146 -10.928 1.00 0.00 N ATOM 770 CA THR A 51 -0.126 14.842 -11.225 1.00 0.00 C ATOM 771 C THR A 51 0.284 14.119 -9.947 1.00 0.00 C ATOM 772 O THR A 51 1.102 14.620 -9.174 1.00 0.00 O ATOM 773 CB THR A 51 1.101 14.968 -12.146 1.00 0.00 C ATOM 774 OG1 THR A 51 0.680 15.189 -13.497 1.00 0.00 O ATOM 775 CG2 THR A 51 1.961 13.715 -12.077 1.00 0.00 C ATOM 0 H THR A 51 -0.219 16.667 -10.198 1.00 0.00 H new ATOM 0 HA THR A 51 -0.896 14.264 -11.736 1.00 0.00 H new ATOM 0 HB THR A 51 1.695 15.817 -11.807 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.613 14.330 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.822 13.828 -12.736 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.305 13.566 -11.053 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.373 12.853 -12.392 1.00 0.00 H new ATOM 783 N CYS A 52 -0.288 12.939 -9.731 1.00 0.00 N ATOM 784 CA CYS A 52 0.019 12.147 -8.545 1.00 0.00 C ATOM 785 C CYS A 52 0.393 10.719 -8.928 1.00 0.00 C ATOM 786 O CYS A 52 0.242 10.313 -10.080 1.00 0.00 O ATOM 787 CB CYS A 52 -1.176 12.135 -7.591 1.00 0.00 C ATOM 788 SG CYS A 52 -1.504 13.727 -6.799 1.00 0.00 S ATOM 0 H CYS A 52 -0.966 12.510 -10.361 1.00 0.00 H new ATOM 0 HA CYS A 52 0.871 12.605 -8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.064 11.826 -8.142 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.003 11.386 -6.818 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.730 14.636 -7.315 1.00 0.00 H new ATOM 794 N THR A 53 0.885 9.960 -7.953 1.00 0.00 N ATOM 795 CA THR A 53 1.284 8.578 -8.188 1.00 0.00 C ATOM 796 C THR A 53 0.839 7.675 -7.043 1.00 0.00 C ATOM 797 O THR A 53 0.866 8.072 -5.879 1.00 0.00 O ATOM 798 CB THR A 53 2.810 8.456 -8.358 1.00 0.00 C ATOM 799 OG1 THR A 53 3.458 8.591 -7.089 1.00 0.00 O ATOM 800 CG2 THR A 53 3.334 9.515 -9.316 1.00 0.00 C ATOM 0 H THR A 53 1.016 10.280 -6.993 1.00 0.00 H new ATOM 0 HA THR A 53 0.796 8.260 -9.109 1.00 0.00 H new ATOM 0 HB THR A 53 3.029 7.472 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.428 8.510 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.414 9.409 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.861 9.390 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.103 10.506 -8.925 1.00 0.00 H new ATOM 808 N GLY A 54 0.428 6.456 -7.382 1.00 0.00 N ATOM 809 CA GLY A 54 -0.017 5.516 -6.371 1.00 0.00 C ATOM 810 C GLY A 54 0.845 4.270 -6.318 1.00 0.00 C ATOM 811 O GLY A 54 0.637 3.331 -7.085 1.00 0.00 O ATOM 0 H GLY A 54 0.396 6.104 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.006 6.003 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.050 5.231 -6.573 1.00 0.00 H new ATOM 815 N GLU A 55 1.817 4.263 -5.411 1.00 0.00 N ATOM 816 CA GLU A 55 2.715 3.124 -5.263 1.00 0.00 C ATOM 817 C GLU A 55 2.395 2.339 -3.994 1.00 0.00 C ATOM 818 O GLU A 55 2.028 2.916 -2.971 1.00 0.00 O ATOM 819 CB GLU A 55 4.171 3.594 -5.232 1.00 0.00 C ATOM 820 CG GLU A 55 5.160 2.491 -4.897 1.00 0.00 C ATOM 821 CD GLU A 55 6.538 3.026 -4.557 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.335 3.250 -5.492 1.00 0.00 O ATOM 823 OE2 GLU A 55 6.818 3.220 -3.356 1.00 0.00 O ATOM 0 H GLU A 55 2.002 5.033 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 55 2.571 2.468 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.428 4.018 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.270 4.394 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.781 1.912 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.238 1.809 -5.743 1.00 0.00 H new ATOM 830 N GLY A 56 2.539 1.019 -4.069 1.00 0.00 N ATOM 831 CA GLY A 56 2.261 0.177 -2.920 1.00 0.00 C ATOM 832 C GLY A 56 1.698 -1.174 -3.315 1.00 0.00 C ATOM 833 O GLY A 56 2.142 -2.210 -2.818 1.00 0.00 O ATOM 0 H GLY A 56 2.843 0.518 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.178 0.032 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.554 0.684 -2.264 1.00 0.00 H new ATOM 837 N THR A 57 0.716 -1.166 -4.211 1.00 0.00 N ATOM 838 CA THR A 57 0.089 -2.399 -4.670 1.00 0.00 C ATOM 839 C THR A 57 -0.070 -2.403 -6.186 1.00 0.00 C ATOM 840 O THR A 57 0.347 -1.466 -6.866 1.00 0.00 O ATOM 841 CB THR A 57 -1.292 -2.603 -4.019 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.322 -1.985 -2.728 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.614 -4.084 -3.886 1.00 0.00 C ATOM 0 H THR A 57 0.338 -0.318 -4.633 1.00 0.00 H new ATOM 0 HA THR A 57 0.746 -3.217 -4.374 1.00 0.00 H new ATOM 0 HB THR A 57 -2.043 -2.140 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.511 -2.662 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.594 -4.203 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.620 -4.545 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.859 -4.566 -3.265 1.00 0.00 H new ATOM 851 N SER A 58 -0.676 -3.464 -6.710 1.00 0.00 N ATOM 852 CA SER A 58 -0.888 -3.592 -8.147 1.00 0.00 C ATOM 853 C SER A 58 -2.181 -2.902 -8.569 1.00 0.00 C ATOM 854 O SER A 58 -2.885 -2.317 -7.745 1.00 0.00 O ATOM 855 CB SER A 58 -0.929 -5.067 -8.548 1.00 0.00 C ATOM 856 OG SER A 58 -0.570 -5.236 -9.909 1.00 0.00 O ATOM 0 H SER A 58 -1.029 -4.248 -6.160 1.00 0.00 H new ATOM 0 HA SER A 58 -0.055 -3.107 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.249 -5.638 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.930 -5.465 -8.381 1.00 0.00 H new ATOM 0 HG SER A 58 0.315 -4.845 -10.065 1.00 0.00 H new ATOM 862 N LYS A 59 -2.489 -2.974 -9.859 1.00 0.00 N ATOM 863 CA LYS A 59 -3.698 -2.358 -10.394 1.00 0.00 C ATOM 864 C LYS A 59 -4.840 -2.436 -9.386 1.00 0.00 C ATOM 865 O LYS A 59 -5.702 -1.559 -9.339 1.00 0.00 O ATOM 866 CB LYS A 59 -4.109 -3.043 -11.700 1.00 0.00 C ATOM 867 CG LYS A 59 -3.046 -2.974 -12.783 1.00 0.00 C ATOM 868 CD LYS A 59 -3.182 -4.120 -13.771 1.00 0.00 C ATOM 869 CE LYS A 59 -2.047 -4.122 -14.783 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.184 -3.016 -15.771 1.00 0.00 N ATOM 0 H LYS A 59 -1.917 -3.453 -10.555 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.483 -1.308 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.340 -4.088 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.024 -2.581 -12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.126 -2.025 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.057 -3.002 -12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.192 -5.067 -13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.136 -4.041 -14.293 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.095 -4.027 -14.261 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.029 -5.077 -15.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.748 -3.299 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.192 -2.810 -15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.707 -2.166 -15.408 1.00 0.00 H new ATOM 884 N LYS A 60 -4.838 -3.491 -8.578 1.00 0.00 N ATOM 885 CA LYS A 60 -5.872 -3.683 -7.568 1.00 0.00 C ATOM 886 C LYS A 60 -6.066 -2.417 -6.740 1.00 0.00 C ATOM 887 O LYS A 60 -7.074 -1.722 -6.875 1.00 0.00 O ATOM 888 CB LYS A 60 -5.508 -4.854 -6.651 1.00 0.00 C ATOM 889 CG LYS A 60 -6.058 -6.189 -7.122 1.00 0.00 C ATOM 890 CD LYS A 60 -5.099 -6.883 -8.075 1.00 0.00 C ATOM 891 CE LYS A 60 -4.167 -7.830 -7.335 1.00 0.00 C ATOM 892 NZ LYS A 60 -3.035 -7.105 -6.694 1.00 0.00 N ATOM 0 H LYS A 60 -4.132 -4.226 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.807 -3.908 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.423 -4.923 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.883 -4.649 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.245 -6.831 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.016 -6.034 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.665 -7.438 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.512 -6.137 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.729 -8.372 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.776 -8.572 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.140 -7.577 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.012 -6.124 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.162 -7.107 -5.662 1.00 0.00 H new ATOM 906 N LEU A 61 -5.094 -2.121 -5.884 1.00 0.00 N ATOM 907 CA LEU A 61 -5.157 -0.936 -5.035 1.00 0.00 C ATOM 908 C LEU A 61 -4.433 0.239 -5.685 1.00 0.00 C ATOM 909 O LEU A 61 -4.995 1.324 -5.828 1.00 0.00 O ATOM 910 CB LEU A 61 -4.543 -1.233 -3.665 1.00 0.00 C ATOM 911 CG LEU A 61 -3.871 -0.054 -2.961 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.722 1.199 -3.088 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.615 -0.382 -1.498 1.00 0.00 C ATOM 0 H LEU A 61 -4.253 -2.685 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.205 -0.667 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.327 -1.620 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.806 -2.027 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.912 0.134 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.228 2.028 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.853 1.445 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.697 1.025 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.136 0.469 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.562 -0.597 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.963 -1.253 -1.429 1.00 0.00 H new ATOM 925 N ALA A 62 -3.184 0.013 -6.079 1.00 0.00 N ATOM 926 CA ALA A 62 -2.385 1.051 -6.718 1.00 0.00 C ATOM 927 C ALA A 62 -3.263 1.996 -7.532 1.00 0.00 C ATOM 928 O ALA A 62 -3.184 3.216 -7.385 1.00 0.00 O ATOM 929 CB ALA A 62 -1.317 0.426 -7.602 1.00 0.00 C ATOM 0 H ALA A 62 -2.704 -0.880 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.898 1.633 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.728 1.213 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.664 -0.202 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.792 -0.182 -8.372 1.00 0.00 H new ATOM 935 N LYS A 63 -4.099 1.425 -8.392 1.00 0.00 N ATOM 936 CA LYS A 63 -4.993 2.215 -9.231 1.00 0.00 C ATOM 937 C LYS A 63 -5.903 3.094 -8.379 1.00 0.00 C ATOM 938 O LYS A 63 -5.956 4.311 -8.561 1.00 0.00 O ATOM 939 CB LYS A 63 -5.837 1.298 -10.118 1.00 0.00 C ATOM 940 CG LYS A 63 -6.223 1.924 -11.447 1.00 0.00 C ATOM 941 CD LYS A 63 -5.188 1.637 -12.521 1.00 0.00 C ATOM 942 CE LYS A 63 -5.555 2.300 -13.840 1.00 0.00 C ATOM 943 NZ LYS A 63 -5.049 1.528 -15.009 1.00 0.00 N ATOM 0 H LYS A 63 -4.176 0.417 -8.527 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.382 2.860 -9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.283 0.378 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.743 1.020 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.193 1.539 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.332 3.002 -11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.212 1.994 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.101 0.560 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.639 2.395 -13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.144 3.309 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.168 2.091 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.041 1.312 -14.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.584 0.640 -15.097 1.00 0.00 H new ATOM 957 N HIS A 64 -6.617 2.470 -7.447 1.00 0.00 N ATOM 958 CA HIS A 64 -7.524 3.196 -6.565 1.00 0.00 C ATOM 959 C HIS A 64 -6.830 4.409 -5.951 1.00 0.00 C ATOM 960 O HIS A 64 -7.417 5.485 -5.847 1.00 0.00 O ATOM 961 CB HIS A 64 -8.040 2.275 -5.459 1.00 0.00 C ATOM 962 CG HIS A 64 -9.434 2.594 -5.016 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.556 2.094 -5.642 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.885 3.367 -4.000 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.637 2.547 -5.032 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.258 3.321 -4.032 1.00 0.00 N ATOM 0 H HIS A 64 -6.585 1.464 -7.283 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.368 3.545 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.006 1.244 -5.811 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.371 2.341 -4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.279 3.917 -3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.657 2.322 -5.305 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.883 3.806 -3.388 1.00 0.00 H new ATOM 974 N ARG A 65 -5.577 4.225 -5.545 1.00 0.00 N ATOM 975 CA ARG A 65 -4.805 5.303 -4.940 1.00 0.00 C ATOM 976 C ARG A 65 -4.542 6.417 -5.950 1.00 0.00 C ATOM 977 O ARG A 65 -4.798 7.589 -5.676 1.00 0.00 O ATOM 978 CB ARG A 65 -3.478 4.767 -4.400 1.00 0.00 C ATOM 979 CG ARG A 65 -3.559 4.276 -2.964 1.00 0.00 C ATOM 980 CD ARG A 65 -2.289 3.547 -2.551 1.00 0.00 C ATOM 981 NE ARG A 65 -1.312 4.448 -1.947 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.323 4.789 -0.663 1.00 0.00 C ATOM 983 NH1 ARG A 65 -2.254 4.306 0.147 1.00 0.00 N ATOM 984 NH2 ARG A 65 -0.399 5.615 -0.187 1.00 0.00 N ATOM 0 H ARG A 65 -5.076 3.340 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.387 5.714 -4.115 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.140 3.949 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.725 5.553 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.727 5.122 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.414 3.609 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.539 2.756 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.847 3.066 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.581 4.837 -2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.965 3.670 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.260 4.570 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.320 5.988 -0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.408 5.877 0.799 1.00 0.00 H new ATOM 998 N ALA A 66 -4.030 6.042 -7.117 1.00 0.00 N ATOM 999 CA ALA A 66 -3.734 7.008 -8.168 1.00 0.00 C ATOM 1000 C ALA A 66 -4.923 7.930 -8.416 1.00 0.00 C ATOM 1001 O ALA A 66 -4.782 9.153 -8.419 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.344 6.290 -9.451 1.00 0.00 C ATOM 0 H ALA A 66 -3.811 5.076 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.895 7.620 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.126 7.024 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.460 5.678 -9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.166 5.653 -9.776 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.093 7.336 -8.624 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.307 8.105 -8.872 1.00 0.00 C ATOM 1010 C ALA A 67 -7.756 8.842 -7.615 1.00 0.00 C ATOM 1011 O ALA A 67 -8.285 9.950 -7.691 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.416 7.192 -9.375 1.00 0.00 C ATOM 0 H ALA A 67 -6.226 6.325 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.087 8.848 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.316 7.779 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.101 6.715 -10.303 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.626 6.428 -8.627 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.540 8.220 -6.460 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.925 8.818 -5.187 1.00 0.00 C ATOM 1020 C GLU A 68 -7.189 10.136 -4.961 1.00 0.00 C ATOM 1021 O GLU A 68 -7.793 11.139 -4.581 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.632 7.854 -4.036 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.798 6.940 -3.696 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.519 6.063 -2.491 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.549 5.278 -2.539 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.272 6.161 -1.500 1.00 0.00 O ATOM 0 H GLU A 68 -7.101 7.303 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.996 9.020 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.767 7.244 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.362 8.430 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.684 7.544 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.023 6.309 -4.556 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.881 10.124 -5.197 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.063 11.317 -5.021 1.00 0.00 C ATOM 1035 C ALA A 69 -5.659 12.507 -5.766 1.00 0.00 C ATOM 1036 O ALA A 69 -6.107 13.474 -5.152 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.640 11.056 -5.492 1.00 0.00 C ATOM 0 H ALA A 69 -5.366 9.301 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.044 11.560 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.040 11.956 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.209 10.240 -4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.650 10.785 -6.548 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.659 12.428 -7.092 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.201 13.498 -7.921 1.00 0.00 C ATOM 1045 C ALA A 70 -7.461 14.090 -7.298 1.00 0.00 C ATOM 1046 O ALA A 70 -7.458 15.230 -6.833 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.495 12.983 -9.322 1.00 0.00 C ATOM 0 H ALA A 70 -5.290 11.634 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.453 14.288 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.899 13.793 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.575 12.614 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.222 12.173 -9.267 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.536 13.309 -7.293 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.802 13.757 -6.727 1.00 0.00 C ATOM 1055 C ILE A 71 -9.576 14.654 -5.514 1.00 0.00 C ATOM 1056 O ILE A 71 -9.843 15.854 -5.558 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.686 12.566 -6.313 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.950 11.656 -7.514 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.997 13.061 -5.718 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.785 10.440 -7.180 1.00 0.00 C ATOM 0 H ILE A 71 -8.555 12.363 -7.674 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.312 14.325 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.159 11.989 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.454 12.231 -8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.996 11.329 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.611 12.208 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.790 13.672 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.530 13.658 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.932 9.841 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.273 9.843 -6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.753 10.758 -6.794 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.079 14.062 -4.432 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.815 14.807 -3.207 1.00 0.00 C ATOM 1074 C ASN A 72 -8.315 16.214 -3.522 1.00 0.00 C ATOM 1075 O ASN A 72 -8.700 17.182 -2.866 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.786 14.069 -2.348 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.432 13.102 -1.375 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.486 13.389 -0.805 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.802 11.950 -1.179 1.00 0.00 N ATOM 0 H ASN A 72 -8.851 13.069 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.750 14.888 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.100 13.524 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.192 14.795 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.189 11.260 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.931 11.755 -1.673 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.457 16.318 -4.531 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.906 17.606 -4.935 1.00 0.00 C ATOM 1088 C ILE A 73 -7.919 18.407 -5.745 1.00 0.00 C ATOM 1089 O ILE A 73 -8.122 19.598 -5.503 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.622 17.433 -5.767 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.524 16.783 -4.922 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.156 18.776 -6.308 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.555 15.948 -5.729 1.00 0.00 C ATOM 0 H ILE A 73 -7.128 15.526 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.666 18.148 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.840 16.779 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.971 17.562 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.987 16.154 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.247 18.637 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.934 19.203 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.952 19.452 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.805 15.518 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.096 15.147 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.065 16.576 -6.472 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.554 17.747 -6.707 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.549 18.397 -7.553 1.00 0.00 C ATOM 1107 C LEU A 74 -10.568 19.157 -6.710 1.00 0.00 C ATOM 1108 O LEU A 74 -11.075 20.201 -7.121 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.262 17.361 -8.424 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.602 17.045 -9.767 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.099 16.883 -9.598 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.210 15.790 -10.377 1.00 0.00 C ATOM 0 H LEU A 74 -8.398 16.762 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.033 19.110 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.346 16.434 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.276 17.712 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.783 17.879 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.646 16.659 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.675 17.807 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.897 16.067 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.729 15.580 -11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.060 14.948 -9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.278 15.943 -10.535 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.862 18.628 -5.527 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.817 19.257 -4.623 1.00 0.00 C ATOM 1126 C LYS A 75 -11.227 20.517 -3.999 1.00 0.00 C ATOM 1127 O LYS A 75 -11.700 21.625 -4.250 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.232 18.276 -3.524 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.649 16.914 -4.049 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.444 15.827 -3.007 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.567 15.819 -1.982 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.412 14.711 -0.998 1.00 0.00 N ATOM 0 H LYS A 75 -10.452 17.764 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.697 19.538 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.402 18.149 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.058 18.706 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.698 16.943 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.072 16.676 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.392 14.856 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.490 15.981 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.585 16.773 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.525 15.720 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.197 14.740 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.421 13.799 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.510 14.820 -0.492 1.00 0.00 H new