USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 876 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 7 THR OG1 : rot 128:sc= 2.05 USER MOD Set 1.2: A 9 THR OG1 : rot 170:sc= 0.818 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.203 (180deg=-0.3) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.02 (180deg=0.988) USER MOD Single : A 2 GLN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.13) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 25 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.97 (180deg=1.65) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0.995 (180deg=0.923) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.000449 X(o=-0.00045,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 1.02 K(o=1,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0103 K(o=0.01,f=-4.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 59 TYR OH : rot 80:sc= -0.0472 USER MOD Single : A 60 ASN : amide:sc=-0.00242 X(o=-0.0024,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 0.962 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-0.89) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.0182 USER MOD Single : B 686 GLN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.24) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -86:sc= 0.8 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.198 1.643 0.481 1.00 0.00 N ATOM 2 CA MET A 1 2.032 1.579 -0.766 1.00 0.00 C ATOM 3 C MET A 1 1.758 2.781 -1.671 1.00 0.00 C ATOM 4 O MET A 1 0.850 3.546 -1.395 1.00 0.00 O ATOM 5 CB MET A 1 1.865 0.251 -1.556 1.00 0.00 C ATOM 6 CG MET A 1 0.524 0.034 -2.283 1.00 0.00 C ATOM 7 SD MET A 1 0.416 -1.586 -3.079 1.00 0.00 S ATOM 8 CE MET A 1 -0.801 -1.281 -4.386 1.00 0.00 C ATOM 0 H1 MET A 1 1.313 0.762 1.021 1.00 0.00 H new ATOM 0 H2 MET A 1 1.505 2.448 1.063 1.00 0.00 H new ATOM 0 H3 MET A 1 0.198 1.764 0.224 1.00 0.00 H new ATOM 0 HA MET A 1 3.070 1.611 -0.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.664 0.194 -2.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.012 -0.577 -0.862 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.293 0.139 -1.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.392 0.813 -3.034 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.135 -2.232 -4.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.655 -0.747 -3.970 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.346 -0.680 -5.174 1.00 0.00 H new ATOM 20 N GLN A 2 2.443 2.914 -2.812 1.00 0.00 N ATOM 21 CA GLN A 2 2.151 3.933 -3.820 1.00 0.00 C ATOM 22 C GLN A 2 2.141 3.321 -5.197 1.00 0.00 C ATOM 23 O GLN A 2 2.830 2.324 -5.415 1.00 0.00 O ATOM 24 CB GLN A 2 3.143 5.115 -3.722 1.00 0.00 C ATOM 25 CG GLN A 2 4.469 5.040 -4.505 1.00 0.00 C ATOM 26 CD GLN A 2 5.467 4.135 -3.804 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.303 4.554 -3.012 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.335 2.850 -4.071 1.00 0.00 N ATOM 0 H GLN A 2 3.225 2.309 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 2 1.157 4.336 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.618 6.014 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.389 5.253 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.280 4.667 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.891 6.040 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.628 2.537 -4.736 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.940 2.169 -3.612 1.00 0.00 H new ATOM 37 N ILE A 3 1.463 3.976 -6.128 1.00 0.00 N ATOM 38 CA ILE A 3 1.443 3.592 -7.539 1.00 0.00 C ATOM 39 C ILE A 3 1.529 4.858 -8.375 1.00 0.00 C ATOM 40 O ILE A 3 1.182 5.941 -7.914 1.00 0.00 O ATOM 41 CB ILE A 3 0.199 2.735 -7.849 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.086 3.333 -7.247 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.400 1.315 -7.283 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.294 3.186 -8.164 1.00 0.00 C ATOM 0 H ILE A 3 0.901 4.803 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 3 2.299 2.964 -7.787 1.00 0.00 H new ATOM 0 HB ILE A 3 0.083 2.709 -8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.297 2.845 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.924 4.390 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.479 0.708 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.278 0.861 -7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.543 1.370 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.169 3.626 -7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.100 3.698 -9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.478 2.129 -8.356 1.00 0.00 H new ATOM 56 N PHE A 4 2.035 4.705 -9.589 1.00 0.00 N ATOM 57 CA PHE A 4 2.418 5.773 -10.491 1.00 0.00 C ATOM 58 C PHE A 4 1.385 5.851 -11.595 1.00 0.00 C ATOM 59 O PHE A 4 1.406 5.061 -12.529 1.00 0.00 O ATOM 60 CB PHE A 4 3.819 5.468 -11.050 1.00 0.00 C ATOM 61 CG PHE A 4 4.834 4.917 -10.069 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.093 5.614 -8.880 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.540 3.734 -10.342 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.013 5.120 -7.944 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.504 3.275 -9.429 1.00 0.00 C ATOM 66 CZ PHE A 4 6.745 3.961 -8.229 1.00 0.00 C ATOM 0 H PHE A 4 2.197 3.781 -9.990 1.00 0.00 H new ATOM 0 HA PHE A 4 2.457 6.735 -9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.712 4.754 -11.867 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.222 6.385 -11.479 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.578 6.542 -8.683 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.343 3.181 -11.248 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.157 5.633 -7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.068 2.382 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.487 3.599 -7.533 1.00 0.00 H new ATOM 76 N VAL A 5 0.438 6.766 -11.511 1.00 0.00 N ATOM 77 CA VAL A 5 -0.554 6.905 -12.574 1.00 0.00 C ATOM 78 C VAL A 5 0.054 7.850 -13.601 1.00 0.00 C ATOM 79 O VAL A 5 0.170 9.047 -13.363 1.00 0.00 O ATOM 80 CB VAL A 5 -1.932 7.302 -12.015 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.005 7.293 -13.121 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.306 6.319 -10.892 1.00 0.00 C ATOM 0 H VAL A 5 0.330 7.417 -10.733 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.774 5.962 -13.075 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.882 8.317 -11.620 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.968 7.577 -12.696 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.729 8.002 -13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.078 6.293 -13.549 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.281 6.586 -10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.346 5.306 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.557 6.367 -10.102 1.00 0.00 H new ATOM 92 N LYS A 6 0.522 7.314 -14.725 1.00 0.00 N ATOM 93 CA LYS A 6 1.011 8.132 -15.822 1.00 0.00 C ATOM 94 C LYS A 6 -0.219 8.747 -16.466 1.00 0.00 C ATOM 95 O LYS A 6 -1.126 8.014 -16.869 1.00 0.00 O ATOM 96 CB LYS A 6 1.845 7.253 -16.780 1.00 0.00 C ATOM 97 CG LYS A 6 2.634 8.129 -17.766 1.00 0.00 C ATOM 98 CD LYS A 6 3.568 7.334 -18.693 1.00 0.00 C ATOM 99 CE LYS A 6 4.578 8.251 -19.413 1.00 0.00 C ATOM 100 NZ LYS A 6 5.642 7.469 -20.106 1.00 0.00 N ATOM 0 H LYS A 6 0.571 6.310 -14.897 1.00 0.00 H new ATOM 0 HA LYS A 6 1.679 8.932 -15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.532 6.631 -16.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.188 6.579 -17.329 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.931 8.698 -18.375 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.225 8.851 -17.203 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.107 6.586 -18.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.975 6.796 -19.432 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.052 8.871 -20.139 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.036 8.926 -18.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.451 8.090 -20.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.952 6.687 -19.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.266 7.084 -20.996 1.00 0.00 H new ATOM 114 N THR A 7 -0.297 10.073 -16.559 1.00 0.00 N ATOM 115 CA THR A 7 -1.350 10.653 -17.365 1.00 0.00 C ATOM 116 C THR A 7 -1.061 10.315 -18.803 1.00 0.00 C ATOM 117 O THR A 7 0.064 10.003 -19.173 1.00 0.00 O ATOM 118 CB THR A 7 -1.493 12.160 -17.190 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.280 12.779 -17.519 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.867 12.492 -15.767 1.00 0.00 C ATOM 0 H THR A 7 0.331 10.736 -16.105 1.00 0.00 H new ATOM 0 HA THR A 7 -2.302 10.234 -17.038 1.00 0.00 H new ATOM 0 HB THR A 7 -2.282 12.523 -17.848 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.443 13.494 -18.169 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.965 13.572 -15.659 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.815 12.015 -15.519 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.091 12.129 -15.093 1.00 0.00 H new ATOM 128 N LEU A 8 -2.071 10.460 -19.631 1.00 0.00 N ATOM 129 CA LEU A 8 -1.888 10.394 -21.067 1.00 0.00 C ATOM 130 C LEU A 8 -0.970 11.538 -21.556 1.00 0.00 C ATOM 131 O LEU A 8 -0.532 11.443 -22.695 1.00 0.00 O ATOM 132 CB LEU A 8 -3.280 10.382 -21.718 1.00 0.00 C ATOM 133 CG LEU A 8 -3.881 9.125 -22.348 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.343 9.368 -22.736 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.196 8.734 -23.644 1.00 0.00 C ATOM 0 H LEU A 8 -3.033 10.625 -19.335 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.373 9.480 -21.362 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.984 10.716 -20.956 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.267 11.145 -22.496 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.762 8.344 -21.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.756 8.464 -23.183 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.917 9.628 -21.847 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.398 10.186 -23.455 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.664 7.835 -24.046 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.291 9.546 -24.365 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.141 8.539 -23.453 1.00 0.00 H new ATOM 147 N THR A 9 -0.655 12.618 -20.808 1.00 0.00 N ATOM 148 CA THR A 9 0.421 13.535 -21.244 1.00 0.00 C ATOM 149 C THR A 9 1.736 12.842 -20.973 1.00 0.00 C ATOM 150 O THR A 9 2.651 12.839 -21.792 1.00 0.00 O ATOM 151 CB THR A 9 0.487 14.875 -20.489 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.311 14.861 -19.330 1.00 0.00 O ATOM 153 CG2 THR A 9 0.133 16.053 -21.379 1.00 0.00 C ATOM 0 H THR A 9 -1.111 12.871 -19.931 1.00 0.00 H new ATOM 0 HA THR A 9 0.219 13.761 -22.291 1.00 0.00 H new ATOM 0 HB THR A 9 1.524 15.003 -20.178 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.123 15.659 -18.793 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.193 16.976 -20.802 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.832 16.101 -22.214 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.881 15.929 -21.760 1.00 0.00 H new ATOM 161 N GLY A 10 1.788 12.236 -19.793 1.00 0.00 N ATOM 162 CA GLY A 10 2.937 11.575 -19.249 1.00 0.00 C ATOM 163 C GLY A 10 3.413 12.245 -17.975 1.00 0.00 C ATOM 164 O GLY A 10 4.589 12.133 -17.625 1.00 0.00 O ATOM 0 H GLY A 10 0.982 12.198 -19.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.695 10.532 -19.044 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.741 11.577 -19.985 1.00 0.00 H new ATOM 168 N LYS A 11 2.507 12.948 -17.287 1.00 0.00 N ATOM 169 CA LYS A 11 2.781 13.444 -15.951 1.00 0.00 C ATOM 170 C LYS A 11 2.511 12.260 -15.065 1.00 0.00 C ATOM 171 O LYS A 11 1.367 11.835 -14.958 1.00 0.00 O ATOM 172 CB LYS A 11 1.874 14.634 -15.619 1.00 0.00 C ATOM 173 CG LYS A 11 2.155 15.166 -14.197 1.00 0.00 C ATOM 174 CD LYS A 11 1.204 14.705 -13.079 1.00 0.00 C ATOM 175 CE LYS A 11 -0.294 14.953 -13.333 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.668 16.391 -13.458 1.00 0.00 N ATOM 0 H LYS A 11 1.579 13.182 -17.641 1.00 0.00 H new ATOM 0 HA LYS A 11 3.798 13.818 -15.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.032 15.430 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.829 14.333 -15.698 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.169 14.876 -13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.134 16.255 -14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.354 13.638 -12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.486 15.211 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.586 14.434 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.866 14.511 -12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.682 16.468 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.470 16.880 -12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.114 16.829 -14.221 1.00 0.00 H new ATOM 190 N THR A 12 3.532 11.684 -14.474 1.00 0.00 N ATOM 191 CA THR A 12 3.335 10.558 -13.593 1.00 0.00 C ATOM 192 C THR A 12 2.951 11.118 -12.231 1.00 0.00 C ATOM 193 O THR A 12 3.755 11.751 -11.550 1.00 0.00 O ATOM 194 CB THR A 12 4.589 9.685 -13.618 1.00 0.00 C ATOM 195 OG1 THR A 12 5.087 9.577 -14.944 1.00 0.00 O ATOM 196 CG2 THR A 12 4.210 8.286 -13.158 1.00 0.00 C ATOM 0 H THR A 12 4.503 11.975 -14.587 1.00 0.00 H new ATOM 0 HA THR A 12 2.526 9.896 -13.901 1.00 0.00 H new ATOM 0 HB THR A 12 5.345 10.131 -12.972 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.891 9.017 -14.947 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.093 7.648 -13.169 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.808 8.332 -12.146 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.456 7.874 -13.829 1.00 0.00 H new ATOM 204 N ILE A 13 1.682 10.917 -11.875 1.00 0.00 N ATOM 205 CA ILE A 13 1.136 11.306 -10.591 1.00 0.00 C ATOM 206 C ILE A 13 1.223 10.060 -9.729 1.00 0.00 C ATOM 207 O ILE A 13 0.519 9.078 -9.957 1.00 0.00 O ATOM 208 CB ILE A 13 -0.270 11.939 -10.721 1.00 0.00 C ATOM 209 CG1 ILE A 13 -1.120 11.861 -9.426 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.110 11.556 -11.953 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.382 10.995 -9.459 1.00 0.00 C ATOM 0 H ILE A 13 0.999 10.471 -12.487 1.00 0.00 H new ATOM 0 HA ILE A 13 1.697 12.111 -10.115 1.00 0.00 H new ATOM 0 HB ILE A 13 0.002 12.980 -10.895 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.479 11.491 -8.625 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.415 12.875 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.069 12.072 -11.914 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.579 11.845 -12.860 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.277 10.479 -11.959 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.875 11.034 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.060 11.369 -10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.110 9.964 -9.687 1.00 0.00 H new ATOM 223 N THR A 14 2.118 10.092 -8.758 1.00 0.00 N ATOM 224 CA THR A 14 2.268 9.017 -7.799 1.00 0.00 C ATOM 225 C THR A 14 1.228 9.254 -6.705 1.00 0.00 C ATOM 226 O THR A 14 0.986 10.400 -6.310 1.00 0.00 O ATOM 227 CB THR A 14 3.712 9.018 -7.286 1.00 0.00 C ATOM 228 OG1 THR A 14 4.589 8.993 -8.401 1.00 0.00 O ATOM 229 CG2 THR A 14 3.994 7.795 -6.396 1.00 0.00 C ATOM 0 H THR A 14 2.763 10.869 -8.614 1.00 0.00 H new ATOM 0 HA THR A 14 2.094 8.029 -8.226 1.00 0.00 H new ATOM 0 HB THR A 14 3.868 9.916 -6.687 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.517 8.995 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.027 7.828 -6.050 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.323 7.807 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.832 6.882 -6.970 1.00 0.00 H new ATOM 237 N LEU A 15 0.599 8.180 -6.231 1.00 0.00 N ATOM 238 CA LEU A 15 -0.448 8.252 -5.225 1.00 0.00 C ATOM 239 C LEU A 15 -0.298 7.094 -4.277 1.00 0.00 C ATOM 240 O LEU A 15 0.061 6.011 -4.725 1.00 0.00 O ATOM 241 CB LEU A 15 -1.831 8.307 -5.903 1.00 0.00 C ATOM 242 CG LEU A 15 -2.295 7.077 -6.696 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.082 6.109 -5.821 1.00 0.00 C ATOM 244 CD2 LEU A 15 -3.275 7.521 -7.775 1.00 0.00 C ATOM 0 H LEU A 15 0.806 7.230 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.358 9.167 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.574 8.506 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.838 9.162 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.400 6.600 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.394 5.251 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.454 5.770 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.962 6.613 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.609 6.653 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.135 8.003 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.783 8.226 -8.446 1.00 0.00 H new ATOM 256 N GLU A 16 -0.599 7.299 -2.997 1.00 0.00 N ATOM 257 CA GLU A 16 -0.437 6.279 -1.978 1.00 0.00 C ATOM 258 C GLU A 16 -1.800 5.690 -1.623 1.00 0.00 C ATOM 259 O GLU A 16 -2.763 6.415 -1.360 1.00 0.00 O ATOM 260 CB GLU A 16 0.336 6.814 -0.760 1.00 0.00 C ATOM 261 CG GLU A 16 1.854 6.706 -0.981 1.00 0.00 C ATOM 262 CD GLU A 16 2.642 7.332 0.183 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.912 8.558 0.152 1.00 0.00 O ATOM 264 OE2 GLU A 16 3.020 6.594 1.126 1.00 0.00 O ATOM 0 H GLU A 16 -0.963 8.183 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 16 0.176 5.468 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.064 7.854 -0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.053 6.252 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.133 5.658 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.123 7.204 -1.913 1.00 0.00 H new ATOM 271 N VAL A 17 -1.856 4.365 -1.703 1.00 0.00 N ATOM 272 CA VAL A 17 -3.020 3.486 -1.611 1.00 0.00 C ATOM 273 C VAL A 17 -2.570 2.139 -1.036 1.00 0.00 C ATOM 274 O VAL A 17 -1.432 1.982 -0.598 1.00 0.00 O ATOM 275 CB VAL A 17 -3.657 3.315 -3.011 1.00 0.00 C ATOM 276 CG1 VAL A 17 -4.538 4.509 -3.365 1.00 0.00 C ATOM 277 CG2 VAL A 17 -2.602 3.047 -4.094 1.00 0.00 C ATOM 0 H VAL A 17 -1.003 3.825 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.774 3.917 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.296 2.433 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.972 4.361 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.336 4.603 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.936 5.418 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.093 2.933 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.905 3.884 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.058 2.133 -3.854 1.00 0.00 H new ATOM 287 N GLU A 18 -3.440 1.141 -1.096 1.00 0.00 N ATOM 288 CA GLU A 18 -3.195 -0.235 -0.660 1.00 0.00 C ATOM 289 C GLU A 18 -3.499 -1.160 -1.840 1.00 0.00 C ATOM 290 O GLU A 18 -4.266 -0.755 -2.713 1.00 0.00 O ATOM 291 CB GLU A 18 -4.115 -0.587 0.527 1.00 0.00 C ATOM 292 CG GLU A 18 -4.092 0.419 1.682 1.00 0.00 C ATOM 293 CD GLU A 18 -2.688 0.695 2.263 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.823 -0.213 2.276 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.451 1.828 2.746 1.00 0.00 O ATOM 0 H GLU A 18 -4.381 1.270 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.160 -0.350 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.138 -0.675 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.829 -1.566 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.520 1.360 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.736 0.051 2.481 1.00 0.00 H new ATOM 302 N PRO A 19 -2.991 -2.404 -1.887 1.00 0.00 N ATOM 303 CA PRO A 19 -3.396 -3.360 -2.917 1.00 0.00 C ATOM 304 C PRO A 19 -4.913 -3.588 -2.961 1.00 0.00 C ATOM 305 O PRO A 19 -5.489 -3.783 -4.025 1.00 0.00 O ATOM 306 CB PRO A 19 -2.655 -4.658 -2.596 1.00 0.00 C ATOM 307 CG PRO A 19 -1.505 -4.253 -1.683 1.00 0.00 C ATOM 308 CD PRO A 19 -2.028 -3.006 -0.971 1.00 0.00 C ATOM 0 HA PRO A 19 -3.143 -2.976 -3.905 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.313 -5.375 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.286 -5.135 -3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.258 -5.044 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.599 -4.040 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.499 -3.265 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.216 -2.314 -0.746 1.00 0.00 H new ATOM 316 N SER A 20 -5.596 -3.474 -1.827 1.00 0.00 N ATOM 317 CA SER A 20 -7.020 -3.748 -1.703 1.00 0.00 C ATOM 318 C SER A 20 -7.795 -2.440 -1.714 1.00 0.00 C ATOM 319 O SER A 20 -8.978 -2.423 -1.371 1.00 0.00 O ATOM 320 CB SER A 20 -7.270 -4.586 -0.437 1.00 0.00 C ATOM 321 OG SER A 20 -6.427 -5.734 -0.420 1.00 0.00 O ATOM 0 H SER A 20 -5.164 -3.182 -0.950 1.00 0.00 H new ATOM 0 HA SER A 20 -7.376 -4.333 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.085 -3.979 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.315 -4.895 -0.399 1.00 0.00 H new ATOM 0 HG SER A 20 -6.599 -6.254 0.393 1.00 0.00 H new ATOM 327 N ASP A 21 -7.147 -1.335 -2.107 1.00 0.00 N ATOM 328 CA ASP A 21 -7.843 -0.090 -2.267 1.00 0.00 C ATOM 329 C ASP A 21 -8.487 -0.130 -3.647 1.00 0.00 C ATOM 330 O ASP A 21 -7.920 -0.674 -4.614 1.00 0.00 O ATOM 331 CB ASP A 21 -6.882 1.088 -2.076 1.00 0.00 C ATOM 332 CG ASP A 21 -7.388 2.161 -1.096 1.00 0.00 C ATOM 333 OD1 ASP A 21 -8.589 2.179 -0.736 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.545 3.002 -0.709 1.00 0.00 O ATOM 0 H ASP A 21 -6.149 -1.296 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.618 0.050 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.925 0.708 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.698 1.554 -3.044 1.00 0.00 H new ATOM 339 N THR A 22 -9.714 0.373 -3.718 1.00 0.00 N ATOM 340 CA THR A 22 -10.543 0.256 -4.898 1.00 0.00 C ATOM 341 C THR A 22 -10.167 1.268 -5.954 1.00 0.00 C ATOM 342 O THR A 22 -9.683 2.360 -5.654 1.00 0.00 O ATOM 343 CB THR A 22 -12.031 0.401 -4.559 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.202 1.450 -3.619 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.561 -0.906 -3.996 1.00 0.00 C ATOM 0 H THR A 22 -10.159 0.876 -2.950 1.00 0.00 H new ATOM 0 HA THR A 22 -10.367 -0.743 -5.297 1.00 0.00 H new ATOM 0 HB THR A 22 -12.589 0.642 -5.464 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.153 1.544 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.619 -0.797 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.436 -1.698 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.009 -1.163 -3.092 1.00 0.00 H new ATOM 353 N ILE A 23 -10.483 0.926 -7.193 1.00 0.00 N ATOM 354 CA ILE A 23 -10.383 1.827 -8.326 1.00 0.00 C ATOM 355 C ILE A 23 -11.242 3.068 -8.103 1.00 0.00 C ATOM 356 O ILE A 23 -10.789 4.146 -8.461 1.00 0.00 O ATOM 357 CB ILE A 23 -10.761 1.068 -9.603 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.926 -0.209 -9.819 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.676 1.953 -10.857 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.500 -0.260 -9.267 1.00 0.00 C ATOM 0 H ILE A 23 -10.822 -0.003 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.358 2.180 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.799 0.770 -9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.478 -1.042 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.871 -0.389 -10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.953 1.369 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.357 2.797 -10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.657 2.321 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.052 -1.225 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.907 0.536 -9.718 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.524 -0.127 -8.185 1.00 0.00 H new ATOM 372 N GLU A 24 -12.420 2.963 -7.477 1.00 0.00 N ATOM 373 CA GLU A 24 -13.230 4.132 -7.126 1.00 0.00 C ATOM 374 C GLU A 24 -12.390 5.120 -6.315 1.00 0.00 C ATOM 375 O GLU A 24 -12.300 6.301 -6.650 1.00 0.00 O ATOM 376 CB GLU A 24 -14.465 3.669 -6.331 1.00 0.00 C ATOM 377 CG GLU A 24 -15.401 4.823 -5.957 1.00 0.00 C ATOM 378 CD GLU A 24 -16.657 4.309 -5.233 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.618 4.136 -3.992 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.701 4.090 -5.896 1.00 0.00 O ATOM 0 H GLU A 24 -12.835 2.073 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.566 4.639 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.017 2.937 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.137 3.164 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.873 5.530 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.693 5.364 -6.857 1.00 0.00 H new ATOM 387 N ASN A 25 -11.707 4.613 -5.284 1.00 0.00 N ATOM 388 CA ASN A 25 -10.860 5.435 -4.427 1.00 0.00 C ATOM 389 C ASN A 25 -9.647 5.963 -5.197 1.00 0.00 C ATOM 390 O ASN A 25 -9.306 7.132 -5.071 1.00 0.00 O ATOM 391 CB ASN A 25 -10.485 4.660 -3.146 1.00 0.00 C ATOM 392 CG ASN A 25 -8.983 4.610 -2.914 1.00 0.00 C ATOM 393 OD1 ASN A 25 -8.401 5.488 -2.288 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.321 3.619 -3.486 1.00 0.00 N ATOM 0 H ASN A 25 -11.728 3.627 -5.024 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.416 6.317 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.966 5.129 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.873 3.644 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.305 3.574 -3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.826 2.899 -4.002 1.00 0.00 H new ATOM 401 N VAL A 26 -9.022 5.146 -6.042 1.00 0.00 N ATOM 402 CA VAL A 26 -7.862 5.548 -6.833 1.00 0.00 C ATOM 403 C VAL A 26 -8.273 6.700 -7.743 1.00 0.00 C ATOM 404 O VAL A 26 -7.652 7.757 -7.720 1.00 0.00 O ATOM 405 CB VAL A 26 -7.375 4.325 -7.620 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.367 4.691 -8.709 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.752 3.246 -6.729 1.00 0.00 C ATOM 0 H VAL A 26 -9.309 4.180 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.040 5.897 -6.207 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.278 3.924 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.056 3.788 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.829 5.381 -9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.497 5.165 -8.255 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.428 2.408 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.894 3.661 -6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.491 2.900 -6.006 1.00 0.00 H new ATOM 417 N LYS A 27 -9.350 6.547 -8.513 1.00 0.00 N ATOM 418 CA LYS A 27 -9.863 7.619 -9.350 1.00 0.00 C ATOM 419 C LYS A 27 -10.232 8.858 -8.542 1.00 0.00 C ATOM 420 O LYS A 27 -10.048 9.962 -9.047 1.00 0.00 O ATOM 421 CB LYS A 27 -11.128 7.133 -10.063 1.00 0.00 C ATOM 422 CG LYS A 27 -10.972 6.041 -11.124 1.00 0.00 C ATOM 423 CD LYS A 27 -12.397 5.660 -11.559 1.00 0.00 C ATOM 424 CE LYS A 27 -12.440 4.989 -12.933 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.810 5.074 -13.526 1.00 0.00 N ATOM 0 H LYS A 27 -9.885 5.680 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.075 7.886 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.821 6.767 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.599 7.995 -10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.390 6.402 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.444 5.177 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.830 4.988 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.018 6.556 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.721 5.467 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.143 3.944 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.754 4.916 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.420 4.349 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.210 6.016 -13.342 1.00 0.00 H new ATOM 439 N ALA A 28 -10.729 8.719 -7.314 1.00 0.00 N ATOM 440 CA ALA A 28 -10.994 9.883 -6.468 1.00 0.00 C ATOM 441 C ALA A 28 -9.681 10.601 -6.141 1.00 0.00 C ATOM 442 O ALA A 28 -9.627 11.825 -6.183 1.00 0.00 O ATOM 443 CB ALA A 28 -11.732 9.463 -5.195 1.00 0.00 C ATOM 0 H ALA A 28 -10.955 7.821 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.637 10.578 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.921 10.341 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.680 8.996 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.121 8.752 -4.638 1.00 0.00 H new ATOM 449 N LYS A 29 -8.593 9.854 -5.906 1.00 0.00 N ATOM 450 CA LYS A 29 -7.263 10.449 -5.733 1.00 0.00 C ATOM 451 C LYS A 29 -6.831 11.116 -7.039 1.00 0.00 C ATOM 452 O LYS A 29 -6.284 12.208 -7.020 1.00 0.00 O ATOM 453 CB LYS A 29 -6.249 9.399 -5.232 1.00 0.00 C ATOM 454 CG LYS A 29 -6.621 8.894 -3.826 1.00 0.00 C ATOM 455 CD LYS A 29 -5.736 7.752 -3.291 1.00 0.00 C ATOM 456 CE LYS A 29 -6.044 7.528 -1.798 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.022 8.128 -0.889 1.00 0.00 N ATOM 0 H LYS A 29 -8.609 8.837 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.302 11.220 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.217 8.559 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.250 9.834 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.569 9.731 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.657 8.555 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.922 6.837 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.683 7.999 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.020 7.954 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.109 6.457 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.359 8.078 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.129 7.602 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.865 9.122 -1.151 1.00 0.00 H new ATOM 471 N ILE A 30 -7.156 10.534 -8.194 1.00 0.00 N ATOM 472 CA ILE A 30 -6.848 11.159 -9.487 1.00 0.00 C ATOM 473 C ILE A 30 -7.593 12.472 -9.588 1.00 0.00 C ATOM 474 O ILE A 30 -6.992 13.450 -9.972 1.00 0.00 O ATOM 475 CB ILE A 30 -7.175 10.264 -10.703 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.489 8.891 -10.725 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.832 10.983 -12.024 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.144 8.880 -10.028 1.00 0.00 C ATOM 0 H ILE A 30 -7.631 9.634 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.770 11.321 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.245 10.081 -10.602 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.142 8.159 -10.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.356 8.576 -11.760 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.071 10.332 -12.865 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.413 11.902 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.769 11.223 -12.042 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.715 7.879 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.475 9.588 -10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.273 9.165 -8.984 1.00 0.00 H new ATOM 490 N GLN A 31 -8.858 12.550 -9.221 1.00 0.00 N ATOM 491 CA GLN A 31 -9.614 13.789 -9.240 1.00 0.00 C ATOM 492 C GLN A 31 -8.949 14.819 -8.337 1.00 0.00 C ATOM 493 O GLN A 31 -8.924 15.991 -8.695 1.00 0.00 O ATOM 494 CB GLN A 31 -11.064 13.548 -8.823 1.00 0.00 C ATOM 495 CG GLN A 31 -11.953 14.784 -9.081 1.00 0.00 C ATOM 496 CD GLN A 31 -12.620 15.250 -7.798 1.00 0.00 C ATOM 497 OE1 GLN A 31 -12.112 16.097 -7.070 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.764 14.665 -7.490 1.00 0.00 N ATOM 0 H GLN A 31 -9.396 11.746 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.624 14.177 -10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.462 12.694 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.099 13.291 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.349 15.591 -9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.713 14.541 -9.823 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.163 13.964 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.248 14.914 -6.628 1.00 0.00 H new ATOM 507 N ASP A 32 -8.349 14.391 -7.226 1.00 0.00 N ATOM 508 CA ASP A 32 -7.637 15.313 -6.364 1.00 0.00 C ATOM 509 C ASP A 32 -6.387 15.863 -7.070 1.00 0.00 C ATOM 510 O ASP A 32 -6.014 17.015 -6.828 1.00 0.00 O ATOM 511 CB ASP A 32 -7.257 14.650 -5.038 1.00 0.00 C ATOM 512 CG ASP A 32 -6.550 15.653 -4.107 1.00 0.00 C ATOM 513 OD1 ASP A 32 -7.240 16.529 -3.531 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.313 15.551 -3.922 1.00 0.00 O ATOM 0 H ASP A 32 -8.345 13.421 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.304 16.146 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.152 14.263 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.603 13.799 -5.226 1.00 0.00 H new ATOM 519 N LYS A 33 -5.760 15.085 -7.978 1.00 0.00 N ATOM 520 CA LYS A 33 -4.467 15.449 -8.573 1.00 0.00 C ATOM 521 C LYS A 33 -4.547 15.886 -10.047 1.00 0.00 C ATOM 522 O LYS A 33 -3.580 16.443 -10.563 1.00 0.00 O ATOM 523 CB LYS A 33 -3.465 14.319 -8.322 1.00 0.00 C ATOM 524 CG LYS A 33 -3.442 13.851 -6.847 1.00 0.00 C ATOM 525 CD LYS A 33 -2.042 13.656 -6.244 1.00 0.00 C ATOM 526 CE LYS A 33 -1.224 14.950 -6.091 1.00 0.00 C ATOM 527 NZ LYS A 33 -1.730 15.835 -5.001 1.00 0.00 N ATOM 0 H LYS A 33 -6.135 14.198 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.111 16.350 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.712 13.472 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.468 14.654 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.982 14.580 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.986 12.910 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.145 13.189 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.484 12.961 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.184 14.694 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.241 15.498 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.140 16.690 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.714 16.106 -5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.689 15.327 -4.094 1.00 0.00 H new ATOM 541 N GLU A 34 -5.681 15.660 -10.710 1.00 0.00 N ATOM 542 CA GLU A 34 -5.934 15.943 -12.128 1.00 0.00 C ATOM 543 C GLU A 34 -7.179 16.794 -12.344 1.00 0.00 C ATOM 544 O GLU A 34 -7.253 17.545 -13.319 1.00 0.00 O ATOM 545 CB GLU A 34 -6.143 14.619 -12.883 1.00 0.00 C ATOM 546 CG GLU A 34 -4.824 13.976 -13.288 1.00 0.00 C ATOM 547 CD GLU A 34 -4.137 14.825 -14.372 1.00 0.00 C ATOM 548 OE1 GLU A 34 -4.543 14.740 -15.552 1.00 0.00 O ATOM 549 OE2 GLU A 34 -3.207 15.588 -14.022 1.00 0.00 O ATOM 0 H GLU A 34 -6.494 15.252 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.068 16.492 -12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.704 13.928 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.745 14.801 -13.773 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.173 13.884 -12.419 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.001 12.968 -13.662 1.00 0.00 H new ATOM 556 N GLY A 35 -8.170 16.671 -11.465 1.00 0.00 N ATOM 557 CA GLY A 35 -9.365 17.498 -11.500 1.00 0.00 C ATOM 558 C GLY A 35 -10.421 16.911 -12.427 1.00 0.00 C ATOM 559 O GLY A 35 -11.200 17.663 -13.004 1.00 0.00 O ATOM 0 H GLY A 35 -8.163 15.990 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.774 17.592 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.104 18.503 -11.833 1.00 0.00 H new ATOM 563 N ILE A 36 -10.435 15.580 -12.602 1.00 0.00 N ATOM 564 CA ILE A 36 -11.376 14.900 -13.475 1.00 0.00 C ATOM 565 C ILE A 36 -12.205 14.030 -12.549 1.00 0.00 C ATOM 566 O ILE A 36 -11.600 13.271 -11.796 1.00 0.00 O ATOM 567 CB ILE A 36 -10.621 14.023 -14.480 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.676 14.846 -15.371 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.623 13.251 -15.352 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.625 13.908 -15.941 1.00 0.00 C ATOM 0 H ILE A 36 -9.784 14.950 -12.133 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.988 15.598 -14.047 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.008 13.323 -13.912 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.234 15.326 -16.175 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.204 15.640 -14.793 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.081 12.629 -16.065 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.245 12.619 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.254 13.956 -15.892 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.942 14.471 -16.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.066 13.449 -15.125 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.112 13.130 -16.529 1.00 0.00 H new ATOM 582 N PRO A 37 -13.539 14.070 -12.594 1.00 0.00 N ATOM 583 CA PRO A 37 -14.373 13.216 -11.762 1.00 0.00 C ATOM 584 C PRO A 37 -14.094 11.736 -12.037 1.00 0.00 C ATOM 585 O PRO A 37 -13.756 11.376 -13.164 1.00 0.00 O ATOM 586 CB PRO A 37 -15.820 13.625 -12.047 1.00 0.00 C ATOM 587 CG PRO A 37 -15.742 14.856 -12.956 1.00 0.00 C ATOM 588 CD PRO A 37 -14.333 14.828 -13.536 1.00 0.00 C ATOM 0 HA PRO A 37 -14.158 13.343 -10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.365 12.816 -12.533 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.349 13.856 -11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.494 14.813 -13.744 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.920 15.773 -12.395 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.324 14.361 -14.521 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.939 15.837 -13.658 1.00 0.00 H new ATOM 596 N PRO A 38 -14.257 10.843 -11.045 1.00 0.00 N ATOM 597 CA PRO A 38 -13.986 9.424 -11.243 1.00 0.00 C ATOM 598 C PRO A 38 -14.883 8.817 -12.302 1.00 0.00 C ATOM 599 O PRO A 38 -14.438 7.975 -13.079 1.00 0.00 O ATOM 600 CB PRO A 38 -14.235 8.775 -9.883 1.00 0.00 C ATOM 601 CG PRO A 38 -15.141 9.743 -9.130 1.00 0.00 C ATOM 602 CD PRO A 38 -14.713 11.100 -9.680 1.00 0.00 C ATOM 0 HA PRO A 38 -12.968 9.264 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.709 7.800 -9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.299 8.615 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.195 9.543 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.995 9.679 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.543 11.807 -9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.917 11.535 -9.076 1.00 0.00 H new ATOM 610 N ASP A 39 -16.122 9.301 -12.389 1.00 0.00 N ATOM 611 CA ASP A 39 -17.099 8.758 -13.330 1.00 0.00 C ATOM 612 C ASP A 39 -16.740 9.087 -14.786 1.00 0.00 C ATOM 613 O ASP A 39 -17.249 8.445 -15.700 1.00 0.00 O ATOM 614 CB ASP A 39 -18.495 9.260 -12.947 1.00 0.00 C ATOM 615 CG ASP A 39 -19.605 8.587 -13.773 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.811 7.357 -13.618 1.00 0.00 O ATOM 617 OD2 ASP A 39 -20.295 9.286 -14.548 1.00 0.00 O ATOM 0 H ASP A 39 -16.472 10.070 -11.817 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.089 7.670 -13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.668 9.071 -11.888 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.542 10.339 -13.090 1.00 0.00 H new ATOM 622 N GLN A 40 -15.811 10.030 -15.007 1.00 0.00 N ATOM 623 CA GLN A 40 -15.308 10.383 -16.340 1.00 0.00 C ATOM 624 C GLN A 40 -13.963 9.713 -16.630 1.00 0.00 C ATOM 625 O GLN A 40 -13.544 9.680 -17.785 1.00 0.00 O ATOM 626 CB GLN A 40 -15.216 11.921 -16.451 1.00 0.00 C ATOM 627 CG GLN A 40 -14.789 12.476 -17.835 1.00 0.00 C ATOM 628 CD GLN A 40 -15.785 12.156 -18.954 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.597 11.250 -19.770 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.876 12.898 -19.008 1.00 0.00 N ATOM 0 H GLN A 40 -15.385 10.573 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 40 -16.003 10.013 -17.094 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -16.188 12.343 -16.196 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.508 12.278 -15.704 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.670 13.557 -17.763 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.814 12.065 -18.098 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -17.020 13.644 -18.327 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.575 12.725 -19.730 1.00 0.00 H new ATOM 639 N GLN A 41 -13.257 9.175 -15.632 1.00 0.00 N ATOM 640 CA GLN A 41 -11.986 8.514 -15.882 1.00 0.00 C ATOM 641 C GLN A 41 -12.241 7.124 -16.427 1.00 0.00 C ATOM 642 O GLN A 41 -13.160 6.427 -16.009 1.00 0.00 O ATOM 643 CB GLN A 41 -11.181 8.405 -14.574 1.00 0.00 C ATOM 644 CG GLN A 41 -10.551 9.732 -14.134 1.00 0.00 C ATOM 645 CD GLN A 41 -10.167 9.672 -12.670 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.507 8.733 -12.261 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.594 10.606 -11.835 1.00 0.00 N ATOM 0 H GLN A 41 -13.546 9.187 -14.654 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.418 9.098 -16.606 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.836 8.042 -13.782 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.394 7.662 -14.702 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.670 9.942 -14.740 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.254 10.549 -14.299 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.146 11.389 -12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.371 10.543 -10.842 1.00 0.00 H new ATOM 656 N ARG A 42 -11.318 6.688 -17.270 1.00 0.00 N ATOM 657 CA ARG A 42 -11.231 5.345 -17.811 1.00 0.00 C ATOM 658 C ARG A 42 -9.822 4.923 -17.449 1.00 0.00 C ATOM 659 O ARG A 42 -8.872 5.391 -18.057 1.00 0.00 O ATOM 660 CB ARG A 42 -11.525 5.450 -19.310 1.00 0.00 C ATOM 661 CG ARG A 42 -11.529 4.116 -20.058 1.00 0.00 C ATOM 662 CD ARG A 42 -11.943 4.350 -21.520 1.00 0.00 C ATOM 663 NE ARG A 42 -12.021 3.088 -22.282 1.00 0.00 N ATOM 664 CZ ARG A 42 -12.050 2.962 -23.617 1.00 0.00 C ATOM 665 NH1 ARG A 42 -12.130 4.016 -24.418 1.00 0.00 N ATOM 666 NH2 ARG A 42 -11.993 1.770 -24.186 1.00 0.00 N ATOM 0 H ARG A 42 -10.572 7.294 -17.611 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.934 4.603 -17.431 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.496 5.928 -19.443 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.782 6.104 -19.767 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.539 3.661 -20.017 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.219 3.421 -19.580 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.911 4.850 -21.547 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.226 5.018 -21.997 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.056 2.225 -21.739 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.171 4.955 -24.022 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.150 3.887 -25.430 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.926 0.932 -23.609 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.016 1.688 -25.202 1.00 0.00 H new ATOM 680 N LEU A 43 -9.666 4.196 -16.355 1.00 0.00 N ATOM 681 CA LEU A 43 -8.340 3.884 -15.838 1.00 0.00 C ATOM 682 C LEU A 43 -7.893 2.668 -16.617 1.00 0.00 C ATOM 683 O LEU A 43 -8.683 1.750 -16.809 1.00 0.00 O ATOM 684 CB LEU A 43 -8.435 3.616 -14.319 1.00 0.00 C ATOM 685 CG LEU A 43 -7.309 4.246 -13.490 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.313 5.784 -13.563 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.558 3.832 -12.035 1.00 0.00 C ATOM 0 H LEU A 43 -10.436 3.811 -15.808 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.622 4.695 -15.958 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.391 3.993 -13.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.433 2.539 -14.152 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.348 3.906 -13.876 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.496 6.179 -12.959 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.184 6.099 -14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.262 6.164 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.781 4.256 -11.398 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.532 4.201 -11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.538 2.745 -11.957 1.00 0.00 H new ATOM 699 N ILE A 44 -6.647 2.648 -17.059 1.00 0.00 N ATOM 700 CA ILE A 44 -6.079 1.544 -17.826 1.00 0.00 C ATOM 701 C ILE A 44 -4.841 1.087 -17.076 1.00 0.00 C ATOM 702 O ILE A 44 -4.200 1.867 -16.376 1.00 0.00 O ATOM 703 CB ILE A 44 -5.839 1.976 -19.297 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.203 2.387 -19.909 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.138 0.885 -20.135 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.263 2.565 -21.433 1.00 0.00 C ATOM 0 H ILE A 44 -5.988 3.409 -16.894 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.754 0.692 -17.909 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.155 2.825 -19.309 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.940 1.635 -19.627 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.512 3.325 -19.447 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.997 1.244 -21.154 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.168 0.654 -19.694 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.753 -0.015 -20.149 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.273 2.852 -21.726 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.562 3.343 -21.736 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.997 1.627 -21.920 1.00 0.00 H new ATOM 718 N PHE A 45 -4.510 -0.183 -17.233 1.00 0.00 N ATOM 719 CA PHE A 45 -3.310 -0.783 -16.702 1.00 0.00 C ATOM 720 C PHE A 45 -2.896 -1.821 -17.726 1.00 0.00 C ATOM 721 O PHE A 45 -3.682 -2.711 -18.013 1.00 0.00 O ATOM 722 CB PHE A 45 -3.640 -1.442 -15.359 1.00 0.00 C ATOM 723 CG PHE A 45 -2.528 -2.312 -14.839 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.287 -1.716 -14.582 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.714 -3.692 -14.643 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.225 -2.492 -14.091 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.659 -4.466 -14.133 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.424 -3.863 -13.839 1.00 0.00 C ATOM 0 H PHE A 45 -5.092 -0.842 -17.751 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.511 -0.061 -16.530 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.860 -0.667 -14.625 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.543 -2.043 -15.468 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.147 -0.660 -14.761 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.661 -4.153 -14.883 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.739 -2.040 -13.908 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.797 -5.524 -13.967 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.376 -4.454 -13.418 1.00 0.00 H new ATOM 738 N ALA A 46 -1.710 -1.697 -18.316 1.00 0.00 N ATOM 739 CA ALA A 46 -1.166 -2.695 -19.249 1.00 0.00 C ATOM 740 C ALA A 46 -2.072 -2.993 -20.461 1.00 0.00 C ATOM 741 O ALA A 46 -2.036 -4.084 -21.029 1.00 0.00 O ATOM 742 CB ALA A 46 -0.848 -3.966 -18.454 1.00 0.00 C ATOM 0 H ALA A 46 -1.092 -0.900 -18.163 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.261 -2.280 -19.692 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.442 -4.723 -19.125 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.116 -3.737 -17.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.760 -4.343 -17.991 1.00 0.00 H new ATOM 748 N GLY A 47 -2.923 -2.031 -20.834 1.00 0.00 N ATOM 749 CA GLY A 47 -3.912 -2.162 -21.911 1.00 0.00 C ATOM 750 C GLY A 47 -5.268 -2.695 -21.448 1.00 0.00 C ATOM 751 O GLY A 47 -6.207 -2.757 -22.241 1.00 0.00 O ATOM 0 H GLY A 47 -2.944 -1.116 -20.384 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.056 -1.188 -22.378 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.514 -2.827 -22.677 1.00 0.00 H new ATOM 755 N LYS A 48 -5.404 -3.048 -20.171 1.00 0.00 N ATOM 756 CA LYS A 48 -6.619 -3.558 -19.557 1.00 0.00 C ATOM 757 C LYS A 48 -7.251 -2.410 -18.793 1.00 0.00 C ATOM 758 O LYS A 48 -6.598 -1.800 -17.962 1.00 0.00 O ATOM 759 CB LYS A 48 -6.209 -4.731 -18.648 1.00 0.00 C ATOM 760 CG LYS A 48 -7.383 -5.308 -17.850 1.00 0.00 C ATOM 761 CD LYS A 48 -7.084 -6.684 -17.234 1.00 0.00 C ATOM 762 CE LYS A 48 -6.983 -7.791 -18.302 1.00 0.00 C ATOM 763 NZ LYS A 48 -6.795 -9.143 -17.710 1.00 0.00 N ATOM 0 H LYS A 48 -4.631 -2.981 -19.509 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.351 -3.927 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.769 -5.520 -19.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.437 -4.395 -17.956 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.649 -4.612 -17.054 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.251 -5.392 -18.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.150 -6.635 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.868 -6.939 -16.522 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.888 -7.787 -18.910 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.150 -7.572 -18.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.733 -9.850 -18.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.918 -9.158 -17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.602 -9.367 -17.094 1.00 0.00 H new ATOM 777 N GLN A 49 -8.491 -2.063 -19.092 1.00 0.00 N ATOM 778 CA GLN A 49 -9.248 -1.098 -18.296 1.00 0.00 C ATOM 779 C GLN A 49 -9.537 -1.685 -16.918 1.00 0.00 C ATOM 780 O GLN A 49 -9.635 -2.905 -16.765 1.00 0.00 O ATOM 781 CB GLN A 49 -10.586 -0.786 -18.985 1.00 0.00 C ATOM 782 CG GLN A 49 -10.434 -0.059 -20.331 1.00 0.00 C ATOM 783 CD GLN A 49 -11.729 -0.073 -21.144 1.00 0.00 C ATOM 784 OE1 GLN A 49 -11.721 -0.358 -22.335 1.00 0.00 O ATOM 785 NE2 GLN A 49 -12.859 0.315 -20.567 1.00 0.00 N ATOM 0 H GLN A 49 -9.005 -2.438 -19.890 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.660 -0.185 -18.199 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.128 -1.718 -19.145 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.194 -0.174 -18.318 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.130 0.972 -20.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.639 -0.530 -20.909 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.870 0.553 -19.575 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.717 0.375 -21.115 1.00 0.00 H new ATOM 794 N LEU A 50 -9.746 -0.802 -15.939 1.00 0.00 N ATOM 795 CA LEU A 50 -10.195 -1.179 -14.606 1.00 0.00 C ATOM 796 C LEU A 50 -11.560 -0.530 -14.361 1.00 0.00 C ATOM 797 O LEU A 50 -11.836 0.526 -14.932 1.00 0.00 O ATOM 798 CB LEU A 50 -9.184 -0.768 -13.515 1.00 0.00 C ATOM 799 CG LEU A 50 -7.699 -1.126 -13.681 1.00 0.00 C ATOM 800 CD1 LEU A 50 -7.000 -0.337 -14.789 1.00 0.00 C ATOM 801 CD2 LEU A 50 -6.967 -0.795 -12.378 1.00 0.00 C ATOM 0 H LEU A 50 -9.606 0.202 -16.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.277 -2.264 -14.551 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.248 0.314 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.522 -1.206 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.665 -2.185 -13.938 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.955 -0.642 -14.849 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.491 -0.535 -15.742 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.055 0.729 -14.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.911 -1.044 -12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.070 0.269 -12.163 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.398 -1.374 -11.561 1.00 0.00 H new ATOM 813 N GLU A 51 -12.387 -1.106 -13.480 1.00 0.00 N ATOM 814 CA GLU A 51 -13.699 -0.554 -13.133 1.00 0.00 C ATOM 815 C GLU A 51 -13.729 -0.233 -11.638 1.00 0.00 C ATOM 816 O GLU A 51 -12.995 -0.827 -10.853 1.00 0.00 O ATOM 817 CB GLU A 51 -14.844 -1.467 -13.626 1.00 0.00 C ATOM 818 CG GLU A 51 -14.993 -2.765 -12.821 1.00 0.00 C ATOM 819 CD GLU A 51 -16.113 -3.717 -13.298 1.00 0.00 C ATOM 820 OE1 GLU A 51 -16.713 -3.508 -14.383 1.00 0.00 O ATOM 821 OE2 GLU A 51 -16.398 -4.703 -12.571 1.00 0.00 O ATOM 0 H GLU A 51 -12.163 -1.970 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.867 0.387 -13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.782 -0.913 -13.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.671 -1.718 -14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.045 -3.302 -12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.179 -2.507 -11.779 1.00 0.00 H new ATOM 828 N ASP A 52 -14.584 0.715 -11.249 1.00 0.00 N ATOM 829 CA ASP A 52 -14.639 1.355 -9.930 1.00 0.00 C ATOM 830 C ASP A 52 -14.745 0.353 -8.791 1.00 0.00 C ATOM 831 O ASP A 52 -14.115 0.535 -7.749 1.00 0.00 O ATOM 832 CB ASP A 52 -15.830 2.325 -9.879 1.00 0.00 C ATOM 833 CG ASP A 52 -15.530 3.645 -10.594 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.400 3.624 -11.840 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.383 4.688 -9.919 1.00 0.00 O ATOM 0 H ASP A 52 -15.298 1.078 -11.881 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.701 1.894 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.700 1.855 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.088 2.527 -8.839 1.00 0.00 H new ATOM 840 N GLY A 53 -15.506 -0.720 -9.016 1.00 0.00 N ATOM 841 CA GLY A 53 -15.838 -1.713 -8.005 1.00 0.00 C ATOM 842 C GLY A 53 -14.719 -2.711 -7.701 1.00 0.00 C ATOM 843 O GLY A 53 -14.946 -3.667 -6.955 1.00 0.00 O ATOM 0 H GLY A 53 -15.915 -0.923 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.108 -1.198 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.720 -2.264 -8.332 1.00 0.00 H new ATOM 847 N ARG A 54 -13.532 -2.538 -8.286 1.00 0.00 N ATOM 848 CA ARG A 54 -12.424 -3.491 -8.208 1.00 0.00 C ATOM 849 C ARG A 54 -11.267 -2.866 -7.467 1.00 0.00 C ATOM 850 O ARG A 54 -11.350 -1.703 -7.098 1.00 0.00 O ATOM 851 CB ARG A 54 -12.023 -3.861 -9.630 1.00 0.00 C ATOM 852 CG ARG A 54 -13.123 -4.477 -10.493 1.00 0.00 C ATOM 853 CD ARG A 54 -13.751 -5.771 -9.989 1.00 0.00 C ATOM 854 NE ARG A 54 -14.583 -6.350 -11.057 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.287 -7.397 -11.837 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.123 -8.039 -11.736 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.181 -7.795 -12.739 1.00 0.00 N ATOM 0 H ARG A 54 -13.310 -1.711 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.722 -4.389 -7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.656 -2.964 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.190 -4.562 -9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.916 -3.738 -10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.712 -4.663 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.974 -6.476 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.357 -5.575 -9.104 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.485 -5.904 -11.221 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.431 -7.735 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.925 -8.834 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.071 -7.305 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.976 -8.590 -13.344 1.00 0.00 H new ATOM 871 N THR A 55 -10.172 -3.585 -7.273 1.00 0.00 N ATOM 872 CA THR A 55 -9.041 -3.133 -6.478 1.00 0.00 C ATOM 873 C THR A 55 -7.762 -3.347 -7.248 1.00 0.00 C ATOM 874 O THR A 55 -7.736 -4.045 -8.258 1.00 0.00 O ATOM 875 CB THR A 55 -9.009 -3.921 -5.166 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.086 -5.305 -5.457 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.154 -3.533 -4.235 1.00 0.00 C ATOM 0 H THR A 55 -10.042 -4.515 -7.671 1.00 0.00 H new ATOM 0 HA THR A 55 -9.141 -2.070 -6.258 1.00 0.00 H new ATOM 0 HB THR A 55 -8.076 -3.686 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.064 -5.817 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.091 -4.118 -3.317 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.084 -2.472 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.106 -3.732 -4.727 1.00 0.00 H new ATOM 885 N LEU A 56 -6.680 -2.758 -6.755 1.00 0.00 N ATOM 886 CA LEU A 56 -5.376 -2.917 -7.414 1.00 0.00 C ATOM 887 C LEU A 56 -4.970 -4.397 -7.499 1.00 0.00 C ATOM 888 O LEU A 56 -4.588 -4.882 -8.562 1.00 0.00 O ATOM 889 CB LEU A 56 -4.334 -2.034 -6.702 1.00 0.00 C ATOM 890 CG LEU A 56 -4.756 -0.558 -6.639 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.657 0.292 -6.027 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.093 -0.023 -8.040 1.00 0.00 C ATOM 0 H LEU A 56 -6.670 -2.175 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.441 -2.577 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.178 -2.407 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.379 -2.113 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.646 -0.498 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.979 1.333 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.448 -0.057 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.754 0.211 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.389 1.024 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.217 -0.109 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.913 -0.603 -8.464 1.00 0.00 H new ATOM 904 N SER A 57 -5.165 -5.133 -6.414 1.00 0.00 N ATOM 905 CA SER A 57 -4.957 -6.572 -6.325 1.00 0.00 C ATOM 906 C SER A 57 -5.868 -7.352 -7.275 1.00 0.00 C ATOM 907 O SER A 57 -5.442 -8.394 -7.775 1.00 0.00 O ATOM 908 CB SER A 57 -5.208 -7.054 -4.894 1.00 0.00 C ATOM 909 OG SER A 57 -4.042 -6.870 -4.118 1.00 0.00 O ATOM 0 H SER A 57 -5.486 -4.727 -5.535 1.00 0.00 H new ATOM 0 HA SER A 57 -3.923 -6.759 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.039 -6.503 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.491 -8.107 -4.899 1.00 0.00 H new ATOM 0 HG SER A 57 -4.207 -7.178 -3.202 1.00 0.00 H new ATOM 915 N ASP A 58 -7.079 -6.868 -7.586 1.00 0.00 N ATOM 916 CA ASP A 58 -7.950 -7.548 -8.546 1.00 0.00 C ATOM 917 C ASP A 58 -7.324 -7.553 -9.947 1.00 0.00 C ATOM 918 O ASP A 58 -7.579 -8.450 -10.751 1.00 0.00 O ATOM 919 CB ASP A 58 -9.322 -6.890 -8.585 1.00 0.00 C ATOM 920 CG ASP A 58 -10.302 -7.739 -9.410 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.660 -8.855 -8.961 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.775 -7.271 -10.469 1.00 0.00 O ATOM 0 H ASP A 58 -7.472 -6.015 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.067 -8.581 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.702 -6.767 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.242 -5.893 -9.018 1.00 0.00 H new ATOM 927 N TYR A 59 -6.426 -6.592 -10.190 1.00 0.00 N ATOM 928 CA TYR A 59 -5.635 -6.450 -11.409 1.00 0.00 C ATOM 929 C TYR A 59 -4.171 -6.864 -11.198 1.00 0.00 C ATOM 930 O TYR A 59 -3.362 -6.747 -12.116 1.00 0.00 O ATOM 931 CB TYR A 59 -5.805 -5.018 -11.925 1.00 0.00 C ATOM 932 CG TYR A 59 -7.219 -4.749 -12.396 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.652 -5.276 -13.630 1.00 0.00 C ATOM 934 CD2 TYR A 59 -8.125 -4.049 -11.575 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.991 -5.132 -14.035 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.460 -3.911 -11.977 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.911 -4.463 -13.194 1.00 0.00 C ATOM 938 OH TYR A 59 -11.218 -4.314 -13.560 1.00 0.00 O ATOM 0 H TYR A 59 -6.225 -5.860 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.997 -7.135 -12.175 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.546 -4.314 -11.134 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.110 -4.844 -12.746 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.951 -5.793 -14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.792 -3.621 -10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.316 -5.531 -14.985 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.153 -3.375 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.705 -5.145 -13.381 1.00 0.00 H new ATOM 948 N ASN A 60 -3.830 -7.413 -10.025 1.00 0.00 N ATOM 949 CA ASN A 60 -2.506 -7.908 -9.615 1.00 0.00 C ATOM 950 C ASN A 60 -1.452 -6.797 -9.567 1.00 0.00 C ATOM 951 O ASN A 60 -0.254 -7.070 -9.496 1.00 0.00 O ATOM 952 CB ASN A 60 -2.004 -9.098 -10.459 1.00 0.00 C ATOM 953 CG ASN A 60 -3.045 -10.186 -10.682 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.145 -11.143 -9.919 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.841 -10.049 -11.731 1.00 0.00 N ATOM 0 H ASN A 60 -4.520 -7.532 -9.283 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.651 -8.279 -8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.669 -8.727 -11.428 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.135 -9.537 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.559 -10.748 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.736 -9.244 -12.349 1.00 0.00 H new ATOM 962 N ILE A 61 -1.890 -5.541 -9.609 1.00 0.00 N ATOM 963 CA ILE A 61 -1.068 -4.365 -9.376 1.00 0.00 C ATOM 964 C ILE A 61 -0.602 -4.448 -7.927 1.00 0.00 C ATOM 965 O ILE A 61 -1.368 -4.848 -7.047 1.00 0.00 O ATOM 966 CB ILE A 61 -1.937 -3.119 -9.623 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.452 -3.056 -11.071 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.213 -1.798 -9.294 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.724 -2.228 -11.155 1.00 0.00 C ATOM 0 H ILE A 61 -2.862 -5.310 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.203 -4.308 -10.037 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.779 -3.225 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.687 -2.623 -11.715 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.644 -4.064 -11.438 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.880 -0.959 -9.490 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.923 -1.794 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.323 -1.706 -9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.070 -2.197 -12.188 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.493 -2.678 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.522 -1.214 -10.810 1.00 0.00 H new ATOM 981 N GLN A 62 0.639 -4.053 -7.670 1.00 0.00 N ATOM 982 CA GLN A 62 1.236 -4.014 -6.342 1.00 0.00 C ATOM 983 C GLN A 62 1.815 -2.612 -6.140 1.00 0.00 C ATOM 984 O GLN A 62 1.505 -1.683 -6.883 1.00 0.00 O ATOM 985 CB GLN A 62 2.295 -5.134 -6.229 1.00 0.00 C ATOM 986 CG GLN A 62 1.709 -6.533 -6.462 1.00 0.00 C ATOM 987 CD GLN A 62 0.869 -7.060 -5.290 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.396 -7.652 -4.351 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.444 -6.875 -5.313 1.00 0.00 N ATOM 0 H GLN A 62 1.277 -3.742 -8.403 1.00 0.00 H new ATOM 0 HA GLN A 62 0.506 -4.198 -5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.088 -4.952 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.752 -5.097 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.090 -6.512 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.525 -7.230 -6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.876 -6.383 -6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.022 -7.225 -4.549 1.00 0.00 H new ATOM 998 N LYS A 63 2.643 -2.427 -5.117 1.00 0.00 N ATOM 999 CA LYS A 63 3.433 -1.226 -4.914 1.00 0.00 C ATOM 1000 C LYS A 63 4.299 -0.936 -6.127 1.00 0.00 C ATOM 1001 O LYS A 63 4.611 -1.817 -6.925 1.00 0.00 O ATOM 1002 CB LYS A 63 4.298 -1.390 -3.649 1.00 0.00 C ATOM 1003 CG LYS A 63 5.416 -2.437 -3.798 1.00 0.00 C ATOM 1004 CD LYS A 63 6.242 -2.623 -2.519 1.00 0.00 C ATOM 1005 CE LYS A 63 5.499 -3.419 -1.431 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.363 -3.677 -0.244 1.00 0.00 N ATOM 0 H LYS A 63 2.784 -3.128 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 63 2.762 -0.378 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.744 -0.428 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.656 -1.672 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.975 -3.393 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.078 -2.139 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.172 -3.136 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.513 -1.644 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.611 -2.868 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.157 -4.368 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.826 -4.215 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.198 -4.224 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.668 -2.772 0.166 1.00 0.00 H new ATOM 1020 N GLU A 64 4.717 0.324 -6.169 1.00 0.00 N ATOM 1021 CA GLU A 64 5.625 0.918 -7.138 1.00 0.00 C ATOM 1022 C GLU A 64 5.284 0.430 -8.550 1.00 0.00 C ATOM 1023 O GLU A 64 6.139 -0.005 -9.325 1.00 0.00 O ATOM 1024 CB GLU A 64 7.094 0.824 -6.653 1.00 0.00 C ATOM 1025 CG GLU A 64 7.815 -0.519 -6.792 1.00 0.00 C ATOM 1026 CD GLU A 64 9.098 -0.553 -5.941 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.027 -0.931 -4.747 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.189 -0.215 -6.461 1.00 0.00 O ATOM 0 H GLU A 64 4.407 1.005 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 64 5.487 1.996 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.673 1.571 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.116 1.107 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.150 -1.326 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.065 -0.694 -7.838 1.00 0.00 H new ATOM 1035 N SER A 65 3.979 0.481 -8.853 1.00 0.00 N ATOM 1036 CA SER A 65 3.449 -0.048 -10.115 1.00 0.00 C ATOM 1037 C SER A 65 2.754 1.076 -10.864 1.00 0.00 C ATOM 1038 O SER A 65 2.233 2.000 -10.240 1.00 0.00 O ATOM 1039 CB SER A 65 2.509 -1.236 -9.858 1.00 0.00 C ATOM 1040 OG SER A 65 3.205 -2.351 -9.322 1.00 0.00 O ATOM 0 H SER A 65 3.271 0.884 -8.239 1.00 0.00 H new ATOM 0 HA SER A 65 4.265 -0.425 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.721 -0.934 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.024 -1.524 -10.790 1.00 0.00 H new ATOM 0 HG SER A 65 3.665 -2.085 -8.498 1.00 0.00 H new ATOM 1046 N THR A 66 2.754 1.004 -12.190 1.00 0.00 N ATOM 1047 CA THR A 66 2.322 2.100 -13.048 1.00 0.00 C ATOM 1048 C THR A 66 0.923 1.818 -13.588 1.00 0.00 C ATOM 1049 O THR A 66 0.587 0.682 -13.900 1.00 0.00 O ATOM 1050 CB THR A 66 3.344 2.333 -14.185 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.653 2.381 -13.638 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.101 3.633 -14.973 1.00 0.00 C ATOM 0 H THR A 66 3.056 0.176 -12.704 1.00 0.00 H new ATOM 0 HA THR A 66 2.275 3.019 -12.463 1.00 0.00 H new ATOM 0 HB THR A 66 3.226 1.502 -14.880 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.303 2.527 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.855 3.731 -15.754 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.110 3.604 -15.426 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.166 4.486 -14.297 1.00 0.00 H new ATOM 1060 N LEU A 67 0.128 2.878 -13.718 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.244 2.920 -14.204 1.00 0.00 C ATOM 1062 C LEU A 67 -1.385 3.983 -15.295 1.00 0.00 C ATOM 1063 O LEU A 67 -0.475 4.789 -15.469 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.122 3.303 -13.000 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.326 2.401 -12.805 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.864 1.022 -12.346 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.230 3.000 -11.733 1.00 0.00 C ATOM 0 H LEU A 67 0.459 3.809 -13.463 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.537 1.959 -14.627 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.513 3.279 -12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.466 4.330 -13.126 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.868 2.312 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.731 0.376 -12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.206 0.589 -13.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.325 1.114 -11.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.098 2.357 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.678 3.082 -10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.561 3.990 -12.048 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.545 4.073 -15.951 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.780 5.057 -17.024 1.00 0.00 C ATOM 1081 C HIS A 68 -4.110 5.776 -16.828 1.00 0.00 C ATOM 1082 O HIS A 68 -5.115 5.130 -16.535 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.795 4.357 -18.398 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.461 4.226 -19.086 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.998 3.067 -19.714 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.584 5.246 -19.325 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.167 3.408 -20.291 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.447 4.699 -20.056 1.00 0.00 N ATOM 0 H HIS A 68 -3.347 3.472 -15.759 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.970 5.785 -16.985 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.216 3.360 -18.271 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.469 4.906 -19.056 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.450 2.153 -19.731 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.680 6.273 -19.005 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.790 2.737 -20.863 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.127 7.100 -17.039 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.363 7.887 -17.120 1.00 0.00 C ATOM 1098 C LEU A 69 -5.737 7.955 -18.583 1.00 0.00 C ATOM 1099 O LEU A 69 -4.986 8.498 -19.384 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.190 9.315 -16.528 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.896 10.555 -17.184 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.378 10.351 -17.519 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.843 11.696 -16.170 1.00 0.00 C ATOM 0 H LEU A 69 -3.280 7.656 -17.159 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.147 7.413 -16.529 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.520 9.272 -15.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.121 9.527 -16.514 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.372 10.746 -18.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.778 11.260 -17.967 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.482 9.524 -18.221 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.929 10.123 -16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.325 12.579 -16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.362 11.398 -15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.804 11.927 -15.936 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.933 7.475 -18.891 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.603 7.621 -20.171 1.00 0.00 C ATOM 1117 C VAL A 70 -8.994 8.165 -19.824 1.00 0.00 C ATOM 1118 O VAL A 70 -9.413 8.127 -18.671 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.507 6.260 -20.883 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.277 6.221 -22.190 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -6.032 5.902 -21.155 1.00 0.00 C ATOM 0 H VAL A 70 -7.489 6.946 -18.219 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.177 8.322 -20.889 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.958 5.529 -20.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.171 5.236 -22.645 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.331 6.421 -21.997 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.882 6.978 -22.868 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.979 4.937 -21.659 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.583 6.667 -21.788 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.490 5.848 -20.211 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.702 8.746 -20.781 1.00 0.00 N ATOM 1132 CA LEU A 71 -11.016 9.347 -20.556 1.00 0.00 C ATOM 1133 C LEU A 71 -12.079 8.313 -20.921 1.00 0.00 C ATOM 1134 O LEU A 71 -11.849 7.475 -21.785 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.098 10.595 -21.453 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.360 11.459 -21.255 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -12.058 12.630 -20.335 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.879 11.971 -22.594 1.00 0.00 C ATOM 0 H LEU A 71 -9.381 8.816 -21.747 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.175 9.642 -19.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.220 11.214 -21.269 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.053 10.278 -22.495 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.130 10.837 -20.798 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.958 13.231 -20.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.728 12.256 -19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.272 13.244 -20.774 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.770 12.578 -22.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.110 12.576 -23.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.129 11.125 -23.235 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.261 8.377 -20.308 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.426 7.555 -20.691 1.00 0.00 C ATOM 1152 C ARG A 72 -15.014 7.958 -22.039 1.00 0.00 C ATOM 1153 O ARG A 72 -15.662 7.141 -22.679 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.525 7.709 -19.619 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.515 6.529 -19.577 1.00 0.00 C ATOM 1156 CD ARG A 72 -17.287 6.595 -18.255 1.00 0.00 C ATOM 1157 NE ARG A 72 -18.393 5.624 -18.173 1.00 0.00 N ATOM 1158 CZ ARG A 72 -19.225 5.522 -17.128 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -19.101 6.361 -16.108 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -20.172 4.591 -17.110 1.00 0.00 N ATOM 0 H ARG A 72 -13.446 9.003 -19.525 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.080 6.524 -20.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.055 7.813 -18.641 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.078 8.630 -19.807 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.203 6.580 -20.421 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.981 5.582 -19.658 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.596 6.418 -17.430 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.686 7.601 -18.126 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.533 4.991 -18.960 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.376 7.078 -16.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.731 6.289 -15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.270 3.947 -17.895 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.802 4.519 -16.311 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.803 9.223 -22.435 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.476 9.877 -23.567 1.00 0.00 C ATOM 1176 C LEU A 73 -16.985 9.796 -23.270 1.00 0.00 C ATOM 1177 O LEU A 73 -17.783 9.547 -24.173 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.081 9.302 -24.952 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.611 9.302 -25.424 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.037 10.662 -25.812 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.657 8.520 -24.528 1.00 0.00 C ATOM 0 H LEU A 73 -14.140 9.837 -21.962 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.156 10.916 -23.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.424 8.268 -24.978 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.656 9.848 -25.700 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.684 8.748 -26.360 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.000 10.543 -26.127 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.619 11.082 -26.632 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.081 11.333 -24.954 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.648 8.575 -24.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.667 8.948 -23.525 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.974 7.478 -24.481 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.331 16.451 -33.045 1.00 0.00 N ATOM 1326 CA ILE B 677 -8.830 15.968 -31.757 1.00 0.00 C ATOM 1327 C ILE B 677 -7.834 17.007 -31.221 1.00 0.00 C ATOM 1328 O ILE B 677 -7.111 17.634 -32.009 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.169 14.574 -31.943 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.222 13.550 -32.427 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.487 14.054 -30.659 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -8.633 12.197 -32.838 1.00 0.00 C ATOM 0 HA ILE B 677 -9.640 15.847 -31.037 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.388 14.694 -32.693 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -9.951 13.391 -31.632 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -9.762 13.972 -33.275 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.044 13.077 -30.852 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.707 14.752 -30.353 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.227 13.966 -29.864 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -9.435 11.535 -33.165 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -7.926 12.341 -33.655 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -8.118 11.751 -31.987 1.00 0.00 H new ATOM 1344 N THR B 678 -7.740 17.148 -29.900 1.00 0.00 N ATOM 1345 CA THR B 678 -6.740 17.963 -29.233 1.00 0.00 C ATOM 1346 C THR B 678 -5.953 17.127 -28.212 1.00 0.00 C ATOM 1347 O THR B 678 -6.424 16.104 -27.702 1.00 0.00 O ATOM 1348 CB THR B 678 -7.437 19.215 -28.676 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.472 20.206 -28.379 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.317 18.977 -27.444 1.00 0.00 C ATOM 0 H THR B 678 -8.376 16.684 -29.252 1.00 0.00 H new ATOM 0 HA THR B 678 -5.974 18.317 -29.923 1.00 0.00 H new ATOM 0 HB THR B 678 -8.116 19.541 -29.464 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.920 21.003 -28.026 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.763 19.920 -27.128 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.106 18.267 -27.692 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.708 18.575 -26.634 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.730 17.583 -27.931 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.780 16.976 -27.015 1.00 0.00 C ATOM 1360 C PHE B 679 -3.379 18.071 -26.010 1.00 0.00 C ATOM 1361 O PHE B 679 -2.425 18.818 -26.262 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.602 16.363 -27.783 1.00 0.00 C ATOM 1363 CG PHE B 679 -2.913 15.010 -28.402 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.896 13.839 -27.615 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.205 14.914 -29.776 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.139 12.584 -28.193 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.451 13.657 -30.359 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.402 12.490 -29.572 1.00 0.00 C ATOM 0 H PHE B 679 -4.363 18.431 -28.363 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.210 16.138 -26.466 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.296 17.051 -28.571 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.754 16.257 -27.106 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.694 13.910 -26.556 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.240 15.806 -30.383 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.124 11.694 -27.582 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.678 13.587 -31.413 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.566 11.524 -30.026 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.170 18.256 -24.935 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.006 19.317 -23.941 1.00 0.00 C ATOM 1380 C PRO B 680 -2.806 19.053 -23.021 1.00 0.00 C ATOM 1381 O PRO B 680 -2.171 18.002 -23.072 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.318 19.285 -23.138 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.622 17.789 -23.133 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.304 17.420 -24.577 1.00 0.00 C ATOM 0 HA PRO B 680 -3.813 20.284 -24.406 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.195 19.684 -22.131 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.108 19.864 -23.616 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.000 17.245 -22.422 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.660 17.580 -22.874 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.060 16.362 -24.670 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.156 17.609 -25.230 1.00 0.00 H new ATOM 1392 N SER B 681 -2.606 19.942 -22.047 1.00 0.00 N ATOM 1393 CA SER B 681 -1.636 19.827 -20.960 1.00 0.00 C ATOM 1394 C SER B 681 -1.872 18.619 -20.021 1.00 0.00 C ATOM 1395 O SER B 681 -1.196 18.523 -18.996 1.00 0.00 O ATOM 1396 CB SER B 681 -1.647 21.148 -20.168 1.00 0.00 C ATOM 1397 OG SER B 681 -1.658 22.274 -21.044 1.00 0.00 O ATOM 0 H SER B 681 -3.145 20.806 -21.993 1.00 0.00 H new ATOM 0 HA SER B 681 -0.659 19.642 -21.407 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.523 21.179 -19.520 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.770 21.195 -19.522 1.00 0.00 H new ATOM 0 HG SER B 681 -1.667 23.099 -20.516 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.779 17.690 -20.365 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.057 16.464 -19.612 1.00 0.00 C ATOM 1405 C ASP B 682 -3.017 15.203 -20.489 1.00 0.00 C ATOM 1406 O ASP B 682 -2.955 14.095 -19.948 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.441 16.506 -18.949 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.664 17.581 -17.873 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -3.723 17.987 -17.151 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.827 18.036 -17.750 1.00 0.00 O ATOM 0 H ASP B 682 -3.355 17.778 -21.202 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.268 16.414 -18.861 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.187 16.648 -19.731 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -4.632 15.531 -18.500 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.065 15.315 -21.825 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.028 14.178 -22.738 1.00 0.00 C ATOM 1417 C ILE B 683 -2.151 14.546 -23.944 1.00 0.00 C ATOM 1418 O ILE B 683 -2.418 15.557 -24.588 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.465 13.759 -23.127 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.199 13.061 -21.957 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.432 12.819 -24.346 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -5.909 13.934 -20.931 1.00 0.00 C ATOM 0 H ILE B 683 -3.132 16.214 -22.302 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.581 13.307 -22.259 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.013 14.668 -23.375 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -5.937 12.382 -22.384 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -4.471 12.447 -21.426 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.449 12.531 -24.611 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -3.969 13.332 -25.189 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.854 11.928 -24.103 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.375 13.302 -20.175 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.186 14.596 -20.454 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.675 14.530 -21.428 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.135 13.738 -24.287 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.142 14.004 -25.340 1.00 0.00 C ATOM 1436 C ASP B 684 0.062 12.740 -26.190 1.00 0.00 C ATOM 1437 O ASP B 684 -0.083 11.639 -25.645 1.00 0.00 O ATOM 1438 CB ASP B 684 1.191 14.402 -24.692 1.00 0.00 C ATOM 1439 CG ASP B 684 2.285 14.713 -25.718 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.993 13.767 -26.131 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.441 15.900 -26.089 1.00 0.00 O ATOM 0 H ASP B 684 -0.977 12.845 -23.819 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.498 14.814 -25.977 1.00 0.00 H new ATOM 0 HB2 ASP B 684 1.035 15.276 -24.059 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.529 13.594 -24.042 1.00 0.00 H new ATOM 1446 N PRO B 685 0.381 12.834 -27.498 1.00 0.00 N ATOM 1447 CA PRO B 685 0.581 11.661 -28.343 1.00 0.00 C ATOM 1448 C PRO B 685 1.586 10.639 -27.799 1.00 0.00 C ATOM 1449 O PRO B 685 1.432 9.461 -28.108 1.00 0.00 O ATOM 1450 CB PRO B 685 1.016 12.188 -29.712 1.00 0.00 C ATOM 1451 CG PRO B 685 0.398 13.580 -29.762 1.00 0.00 C ATOM 1452 CD PRO B 685 0.499 14.040 -28.311 1.00 0.00 C ATOM 0 HA PRO B 685 -0.353 11.101 -28.388 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.102 12.226 -29.802 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.651 11.556 -30.521 1.00 0.00 H new ATOM 0 HG2 PRO B 685 0.942 14.241 -30.436 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.635 13.553 -30.108 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.448 14.544 -28.126 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.291 14.751 -28.071 1.00 0.00 H new ATOM 1460 N GLN B 686 2.574 11.038 -26.983 1.00 0.00 N ATOM 1461 CA GLN B 686 3.579 10.146 -26.405 1.00 0.00 C ATOM 1462 C GLN B 686 2.914 8.917 -25.777 1.00 0.00 C ATOM 1463 O GLN B 686 3.051 7.798 -26.276 1.00 0.00 O ATOM 1464 CB GLN B 686 4.391 10.950 -25.369 1.00 0.00 C ATOM 1465 CG GLN B 686 5.351 10.113 -24.502 1.00 0.00 C ATOM 1466 CD GLN B 686 5.917 10.914 -23.328 1.00 0.00 C ATOM 1467 OE1 GLN B 686 7.122 11.126 -23.228 1.00 0.00 O ATOM 1468 NE2 GLN B 686 5.077 11.361 -22.398 1.00 0.00 N ATOM 0 H GLN B 686 2.695 12.011 -26.704 1.00 0.00 H new ATOM 0 HA GLN B 686 4.250 9.775 -27.180 1.00 0.00 H new ATOM 0 HB2 GLN B 686 4.969 11.711 -25.894 1.00 0.00 H new ATOM 0 HB3 GLN B 686 3.696 11.474 -24.713 1.00 0.00 H new ATOM 0 HG2 GLN B 686 4.825 9.237 -24.122 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.172 9.748 -25.120 1.00 0.00 H new ATOM 0 HE21 GLN B 686 4.077 11.182 -22.486 1.00 0.00 H new ATOM 0 HE22 GLN B 686 5.433 11.883 -21.597 1.00 0.00 H new ATOM 1477 N VAL B 687 2.166 9.112 -24.687 1.00 0.00 N ATOM 1478 CA VAL B 687 1.572 8.012 -23.957 1.00 0.00 C ATOM 1479 C VAL B 687 0.558 7.316 -24.851 1.00 0.00 C ATOM 1480 O VAL B 687 0.407 6.110 -24.732 1.00 0.00 O ATOM 1481 CB VAL B 687 0.957 8.549 -22.661 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.633 7.418 -21.690 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.925 9.524 -21.972 1.00 0.00 C ATOM 0 H VAL B 687 1.962 10.032 -24.297 1.00 0.00 H new ATOM 0 HA VAL B 687 2.320 7.270 -23.677 1.00 0.00 H new ATOM 0 HB VAL B 687 0.035 9.064 -22.930 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.198 7.833 -20.781 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -0.078 6.734 -22.153 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.547 6.879 -21.442 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.473 9.897 -21.053 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.855 9.007 -21.736 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.134 10.361 -22.638 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.087 8.031 -25.777 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.042 7.436 -26.693 1.00 0.00 C ATOM 1495 C PHE B 688 -0.385 6.421 -27.632 1.00 0.00 C ATOM 1496 O PHE B 688 -0.950 5.356 -27.887 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.744 8.555 -27.470 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.073 8.135 -28.048 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.048 7.602 -27.193 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.355 8.311 -29.413 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.312 7.254 -27.680 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.616 7.939 -29.915 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.587 7.403 -29.049 1.00 0.00 C ATOM 0 H PHE B 688 0.043 9.034 -25.906 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.780 6.876 -26.119 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -1.896 9.408 -26.808 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.094 8.891 -28.278 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -3.820 7.459 -26.147 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.609 8.729 -30.073 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.069 6.874 -27.010 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.838 8.065 -30.964 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.549 7.105 -29.439 1.00 0.00 H new ATOM 1513 N TYR B 689 0.815 6.718 -28.129 1.00 0.00 N ATOM 1514 CA TYR B 689 1.603 5.803 -28.942 1.00 0.00 C ATOM 1515 C TYR B 689 2.185 4.662 -28.117 1.00 0.00 C ATOM 1516 O TYR B 689 2.499 3.606 -28.671 1.00 0.00 O ATOM 1517 CB TYR B 689 2.744 6.565 -29.625 1.00 0.00 C ATOM 1518 CG TYR B 689 2.340 7.670 -30.584 1.00 0.00 C ATOM 1519 CD1 TYR B 689 1.177 7.565 -31.373 1.00 0.00 C ATOM 1520 CD2 TYR B 689 3.164 8.806 -30.705 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.843 8.580 -32.284 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.844 9.824 -31.622 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.682 9.711 -32.424 1.00 0.00 C ATOM 1524 OH TYR B 689 1.360 10.681 -33.330 1.00 0.00 O ATOM 0 H TYR B 689 1.271 7.617 -27.973 1.00 0.00 H new ATOM 0 HA TYR B 689 0.935 5.373 -29.689 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.376 6.999 -28.851 1.00 0.00 H new ATOM 0 HB3 TYR B 689 3.356 5.847 -30.170 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.539 6.699 -31.276 1.00 0.00 H new ATOM 0 HD2 TYR B 689 4.047 8.896 -30.090 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.055 8.497 -32.878 1.00 0.00 H new ATOM 0 HE2 TYR B 689 3.483 10.690 -31.714 1.00 0.00 H new ATOM 0 HH TYR B 689 2.035 11.391 -33.304 1.00 0.00 H new ATOM 1534 N GLU B 690 2.345 4.873 -26.814 1.00 0.00 N ATOM 1535 CA GLU B 690 3.086 3.968 -25.946 1.00 0.00 C ATOM 1536 C GLU B 690 2.167 2.970 -25.239 1.00 0.00 C ATOM 1537 O GLU B 690 2.571 1.828 -25.000 1.00 0.00 O ATOM 1538 CB GLU B 690 3.882 4.857 -24.969 1.00 0.00 C ATOM 1539 CG GLU B 690 4.088 4.281 -23.572 1.00 0.00 C ATOM 1540 CD GLU B 690 4.860 5.258 -22.677 1.00 0.00 C ATOM 1541 OE1 GLU B 690 4.230 6.169 -22.091 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.095 5.117 -22.521 1.00 0.00 O ATOM 0 H GLU B 690 1.961 5.683 -26.329 1.00 0.00 H new ATOM 0 HA GLU B 690 3.768 3.341 -26.520 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.859 5.061 -25.406 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.368 5.814 -24.876 1.00 0.00 H new ATOM 0 HG2 GLU B 690 3.121 4.058 -23.122 1.00 0.00 H new ATOM 0 HG3 GLU B 690 4.632 3.339 -23.641 1.00 0.00 H new ATOM 1549 N LEU B 691 0.941 3.383 -24.905 1.00 0.00 N ATOM 1550 CA LEU B 691 -0.076 2.495 -24.368 1.00 0.00 C ATOM 1551 C LEU B 691 -0.458 1.444 -25.415 1.00 0.00 C ATOM 1552 O LEU B 691 -0.089 1.551 -26.590 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.258 3.306 -23.790 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.135 4.144 -24.743 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -2.933 3.323 -25.743 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.125 4.966 -23.903 1.00 0.00 C ATOM 0 H LEU B 691 0.631 4.350 -25.003 1.00 0.00 H new ATOM 0 HA LEU B 691 0.316 1.933 -23.520 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -1.913 2.606 -23.272 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.854 3.982 -23.036 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.452 4.768 -25.319 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.521 3.989 -26.374 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.251 2.744 -26.365 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.600 2.647 -25.209 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.753 5.565 -24.563 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.752 4.293 -23.318 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.574 5.624 -23.232 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.192 0.420 -24.968 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.611 -0.706 -25.793 1.00 0.00 C ATOM 1570 C ALA B 692 -2.233 -0.210 -27.093 1.00 0.00 C ATOM 1571 O ALA B 692 -3.193 0.558 -27.057 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.614 -1.555 -25.009 1.00 0.00 C ATOM 0 H ALA B 692 -1.515 0.354 -24.003 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.742 -1.314 -26.045 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -2.932 -2.400 -25.620 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.144 -1.924 -24.097 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.481 -0.947 -24.750 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.730 -0.672 -28.239 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.194 -0.201 -29.540 1.00 0.00 C ATOM 1580 C GLU B 693 -3.690 -0.391 -29.672 1.00 0.00 C ATOM 1581 O GLU B 693 -4.379 0.493 -30.166 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.507 -0.971 -30.662 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.096 -0.407 -30.903 1.00 0.00 C ATOM 1584 CD GLU B 693 0.670 -1.235 -31.951 1.00 0.00 C ATOM 1585 OE1 GLU B 693 1.363 -2.212 -31.576 1.00 0.00 O ATOM 1586 OE2 GLU B 693 0.598 -0.906 -33.161 1.00 0.00 O ATOM 0 H GLU B 693 -0.995 -1.378 -28.289 1.00 0.00 H new ATOM 0 HA GLU B 693 -1.950 0.859 -29.616 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.445 -2.028 -30.403 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.096 -0.900 -31.576 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.169 0.628 -31.237 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.460 -0.401 -29.965 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.217 -1.513 -29.180 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.632 -1.789 -29.331 1.00 0.00 C ATOM 1595 C ALA B 694 -6.480 -0.743 -28.584 1.00 0.00 C ATOM 1596 O ALA B 694 -7.529 -0.327 -29.075 1.00 0.00 O ATOM 1597 CB ALA B 694 -5.912 -3.203 -28.825 1.00 0.00 C ATOM 0 H ALA B 694 -3.689 -2.230 -28.683 1.00 0.00 H new ATOM 0 HA ALA B 694 -5.909 -1.725 -30.383 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -6.974 -3.424 -28.933 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.331 -3.919 -29.406 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.631 -3.276 -27.774 1.00 0.00 H new ATOM 1603 N VAL B 695 -5.999 -0.273 -27.425 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.616 0.827 -26.684 1.00 0.00 C ATOM 1605 C VAL B 695 -6.486 2.114 -27.495 1.00 0.00 C ATOM 1606 O VAL B 695 -7.472 2.830 -27.619 1.00 0.00 O ATOM 1607 CB VAL B 695 -5.991 0.934 -25.274 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.144 2.300 -24.595 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.608 -0.105 -24.335 1.00 0.00 C ATOM 0 H VAL B 695 -5.165 -0.650 -26.975 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.680 0.640 -26.537 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.927 0.767 -25.443 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.673 2.273 -23.612 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.665 3.065 -25.206 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.203 2.534 -24.484 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -6.157 -0.016 -23.347 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.682 0.065 -24.260 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.425 -1.105 -24.728 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.313 2.413 -28.066 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.117 3.601 -28.888 1.00 0.00 C ATOM 1621 C GLN B 696 -6.112 3.603 -30.046 1.00 0.00 C ATOM 1622 O GLN B 696 -6.758 4.616 -30.265 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.663 3.645 -29.378 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.316 4.814 -30.297 1.00 0.00 C ATOM 1625 CD GLN B 696 -2.093 4.463 -31.141 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -2.148 4.416 -32.367 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -0.981 4.151 -30.492 1.00 0.00 N ATOM 0 H GLN B 696 -4.478 1.836 -27.968 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.301 4.500 -28.300 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.006 3.681 -28.509 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.446 2.715 -29.904 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -4.162 5.043 -30.944 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.117 5.707 -29.705 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -0.955 4.196 -29.473 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -0.151 3.866 -31.011 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.277 2.492 -30.768 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.203 2.414 -31.900 1.00 0.00 C ATOM 1638 C LYS B 697 -8.633 2.672 -31.444 1.00 0.00 C ATOM 1639 O LYS B 697 -9.342 3.469 -32.058 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.120 1.026 -32.560 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.768 0.720 -33.223 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.379 1.632 -34.398 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.432 1.628 -35.523 1.00 0.00 C ATOM 1644 NZ LYS B 697 -5.939 2.295 -36.760 1.00 0.00 N ATOM 0 H LYS B 697 -5.774 1.624 -30.585 1.00 0.00 H new ATOM 0 HA LYS B 697 -6.919 3.178 -32.624 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.322 0.265 -31.806 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -7.906 0.946 -33.311 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -4.989 0.785 -32.463 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -5.783 -0.311 -33.577 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.245 2.651 -34.034 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.419 1.309 -34.802 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -6.710 0.600 -35.754 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -7.334 2.132 -35.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -6.681 2.268 -37.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.698 3.284 -36.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -5.094 1.799 -37.108 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.051 2.000 -30.374 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.419 2.107 -29.875 1.00 0.00 C ATOM 1660 C GLU B 698 -10.696 3.546 -29.407 1.00 0.00 C ATOM 1661 O GLU B 698 -11.716 4.136 -29.769 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.630 1.057 -28.772 1.00 0.00 C ATOM 1663 CG GLU B 698 -12.106 0.808 -28.427 1.00 0.00 C ATOM 1664 CD GLU B 698 -12.799 1.956 -27.671 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -12.157 2.577 -26.792 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -14.015 2.172 -27.892 1.00 0.00 O ATOM 0 H GLU B 698 -8.457 1.372 -29.833 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.140 1.899 -30.666 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -10.177 0.117 -29.087 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -10.105 1.378 -27.872 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -12.653 0.619 -29.351 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -12.175 -0.098 -27.825 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.743 4.134 -28.676 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.802 5.510 -28.204 1.00 0.00 C ATOM 1675 C LEU B 699 -9.869 6.444 -29.385 1.00 0.00 C ATOM 1676 O LEU B 699 -10.737 7.292 -29.409 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.550 5.867 -27.388 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.645 5.433 -25.927 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.251 5.406 -25.295 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.532 6.400 -25.126 1.00 0.00 C ATOM 0 H LEU B 699 -8.891 3.650 -28.393 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.686 5.612 -27.575 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.679 5.397 -27.845 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.390 6.944 -27.431 1.00 0.00 H new ATOM 0 HG LEU B 699 -9.086 4.436 -25.902 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.330 5.095 -24.253 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.619 4.702 -25.837 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.810 6.401 -25.344 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.585 6.071 -24.088 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.107 7.403 -25.167 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.534 6.413 -25.554 1.00 0.00 H new ATOM 1692 N LEU B 700 -8.976 6.297 -30.355 1.00 0.00 N ATOM 1693 CA LEU B 700 -8.862 7.180 -31.501 1.00 0.00 C ATOM 1694 C LEU B 700 -10.154 7.206 -32.298 1.00 0.00 C ATOM 1695 O LEU B 700 -10.599 8.279 -32.701 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.701 6.670 -32.357 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.435 7.441 -33.659 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.181 8.929 -33.392 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.215 6.820 -34.342 1.00 0.00 C ATOM 0 H LEU B 700 -8.294 5.539 -30.364 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.673 8.203 -31.175 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -6.794 6.692 -31.753 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -7.892 5.627 -32.608 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.314 7.371 -34.299 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -6.997 9.442 -34.336 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.054 9.366 -32.906 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.312 9.039 -32.744 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.007 7.352 -35.270 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.351 6.893 -33.681 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.416 5.772 -34.562 1.00 0.00 H new ATOM 1711 N ALA B 701 -10.772 6.042 -32.498 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.089 5.961 -33.102 1.00 0.00 C ATOM 1713 C ALA B 701 -13.080 6.796 -32.289 1.00 0.00 C ATOM 1714 O ALA B 701 -13.835 7.567 -32.870 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.536 4.502 -33.222 1.00 0.00 C ATOM 0 H ALA B 701 -10.372 5.138 -32.246 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.051 6.369 -34.112 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.526 4.461 -33.677 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -11.828 3.954 -33.844 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.573 4.050 -32.231 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.051 6.722 -30.959 1.00 0.00 N ATOM 1722 CA GLU B 702 -13.892 7.558 -30.113 1.00 0.00 C ATOM 1723 C GLU B 702 -13.566 9.043 -30.299 1.00 0.00 C ATOM 1724 O GLU B 702 -14.447 9.856 -30.575 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.755 7.134 -28.641 1.00 0.00 C ATOM 1726 CG GLU B 702 -15.052 7.410 -27.857 1.00 0.00 C ATOM 1727 CD GLU B 702 -16.299 6.722 -28.449 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -16.460 5.490 -28.289 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -17.133 7.416 -29.078 1.00 0.00 O ATOM 0 H GLU B 702 -12.446 6.083 -30.443 1.00 0.00 H new ATOM 0 HA GLU B 702 -14.930 7.416 -30.414 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.514 6.072 -28.587 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.927 7.673 -28.180 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.920 7.078 -26.827 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.224 8.486 -27.825 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.291 9.414 -30.202 1.00 0.00 N ATOM 1737 CA TRP B 703 -11.828 10.783 -30.229 1.00 0.00 C ATOM 1738 C TRP B 703 -12.181 11.449 -31.573 1.00 0.00 C ATOM 1739 O TRP B 703 -12.504 12.635 -31.617 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.311 10.748 -29.951 1.00 0.00 C ATOM 1741 CG TRP B 703 -9.798 10.116 -28.672 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.503 9.592 -27.643 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.420 10.060 -28.206 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.679 9.263 -26.585 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.385 9.590 -26.864 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.203 10.461 -28.763 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.248 9.641 -26.059 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.041 10.529 -27.970 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.073 10.170 -26.606 1.00 0.00 C ATOM 0 H TRP B 703 -11.533 8.740 -30.099 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.318 11.390 -29.468 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -9.839 10.227 -30.784 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -9.952 11.777 -29.973 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.574 9.449 -27.648 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -9.995 8.835 -25.715 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.153 10.721 -29.810 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.273 9.282 -25.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.113 10.860 -28.412 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.197 10.302 -25.988 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.193 10.678 -32.667 1.00 0.00 N ATOM 1761 CA LYS B 704 -12.475 11.170 -34.014 1.00 0.00 C ATOM 1762 C LYS B 704 -13.965 11.096 -34.356 1.00 0.00 C ATOM 1763 O LYS B 704 -14.408 11.856 -35.216 1.00 0.00 O ATOM 1764 CB LYS B 704 -11.586 10.428 -35.043 1.00 0.00 C ATOM 1765 CG LYS B 704 -12.178 9.124 -35.608 1.00 0.00 C ATOM 1766 CD LYS B 704 -11.151 8.245 -36.341 1.00 0.00 C ATOM 1767 CE LYS B 704 -10.439 8.890 -37.545 1.00 0.00 C ATOM 1768 NZ LYS B 704 -11.357 9.242 -38.664 1.00 0.00 N ATOM 0 H LYS B 704 -12.003 9.676 -32.636 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.222 12.229 -34.056 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -11.380 11.103 -35.873 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -10.629 10.199 -34.573 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -12.616 8.551 -34.791 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -12.988 9.371 -36.295 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -10.393 7.932 -35.623 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -11.656 7.343 -36.685 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -9.924 9.791 -37.212 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -9.676 8.205 -37.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -10.812 9.671 -39.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -11.830 8.382 -39.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -12.071 9.919 -38.327 1.00 0.00 H new ATOM 1782 N ARG B 705 -14.752 10.217 -33.711 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.169 10.032 -34.078 1.00 0.00 C ATOM 1784 C ARG B 705 -17.036 11.028 -33.327 1.00 0.00 C ATOM 1785 O ARG B 705 -18.034 11.509 -33.865 1.00 0.00 O ATOM 1786 CB ARG B 705 -16.651 8.576 -33.899 1.00 0.00 C ATOM 1787 CG ARG B 705 -16.838 8.136 -32.439 1.00 0.00 C ATOM 1788 CD ARG B 705 -16.821 6.611 -32.283 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.109 6.005 -32.667 1.00 0.00 N ATOM 1790 CZ ARG B 705 -19.180 5.861 -31.873 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -19.153 6.263 -30.604 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -20.289 5.311 -32.360 1.00 0.00 N ATOM 0 H ARG B 705 -14.436 9.628 -32.940 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.265 10.233 -35.145 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -17.598 8.454 -34.425 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -15.933 7.909 -34.376 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.047 8.570 -31.827 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -17.783 8.527 -32.063 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.025 6.192 -32.898 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -16.593 6.354 -31.248 1.00 0.00 H new ATOM 0 HE ARG B 705 -18.193 5.664 -33.625 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -18.308 6.688 -30.222 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -19.977 6.146 -30.014 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -20.321 5.002 -33.332 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -21.107 5.198 -31.762 1.00 0.00 H new ATOM 1806 N THR B 706 -16.633 11.359 -32.100 1.00 0.00 N ATOM 1807 CA THR B 706 -17.211 12.456 -31.344 1.00 0.00 C ATOM 1808 C THR B 706 -16.949 13.753 -32.119 1.00 0.00 C ATOM 1809 O THR B 706 -17.816 14.625 -32.205 1.00 0.00 O ATOM 1810 CB THR B 706 -16.575 12.487 -29.950 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.166 12.514 -30.067 1.00 0.00 O ATOM 1812 CG2 THR B 706 -16.951 11.242 -29.157 1.00 0.00 C ATOM 0 H THR B 706 -15.890 10.866 -31.604 1.00 0.00 H new ATOM 0 HA THR B 706 -18.287 12.335 -31.217 1.00 0.00 H new ATOM 0 HB THR B 706 -16.939 13.377 -29.437 1.00 0.00 H new ATOM 0 HG1 THR B 706 -14.827 11.598 -30.150 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.489 11.285 -28.171 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.034 11.194 -29.048 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.599 10.355 -29.684 1.00 0.00 H new ATOM 1820 N GLY B 707 -15.758 13.833 -32.729 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.377 14.864 -33.681 1.00 0.00 C ATOM 1822 C GLY B 707 -14.461 15.896 -33.044 1.00 0.00 C ATOM 1823 O GLY B 707 -13.590 16.454 -33.712 1.00 0.00 O ATOM 0 H GLY B 707 -15.015 13.155 -32.562 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -14.875 14.407 -34.533 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.271 15.356 -34.064 1.00 0.00 H new ATOM 1827 N SER B 708 -14.600 16.093 -31.736 1.00 0.00 N ATOM 1828 CA SER B 708 -13.856 17.060 -30.946 1.00 0.00 C ATOM 1829 C SER B 708 -13.384 16.433 -29.621 1.00 0.00 C ATOM 1830 O SER B 708 -13.011 17.164 -28.704 1.00 0.00 O ATOM 1831 CB SER B 708 -14.770 18.278 -30.737 1.00 0.00 C ATOM 1832 OG SER B 708 -16.045 17.884 -30.241 1.00 0.00 O ATOM 0 H SER B 708 -15.264 15.558 -31.177 1.00 0.00 H new ATOM 0 HA SER B 708 -12.949 17.378 -31.460 1.00 0.00 H new ATOM 0 HB2 SER B 708 -14.303 18.971 -30.037 1.00 0.00 H new ATOM 0 HB3 SER B 708 -14.892 18.811 -31.680 1.00 0.00 H new ATOM 0 HG SER B 708 -16.606 18.677 -30.115 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.422 15.089 -29.521 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.055 14.281 -28.352 1.00 0.00 C ATOM 1840 C ASP B 709 -13.741 14.685 -27.031 1.00 0.00 C ATOM 1841 O ASP B 709 -13.359 14.223 -25.954 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.533 14.166 -28.211 1.00 0.00 C ATOM 1843 CG ASP B 709 -10.796 15.443 -27.718 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -10.997 15.919 -26.568 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -9.944 15.935 -28.500 1.00 0.00 O ATOM 0 H ASP B 709 -13.728 14.509 -30.302 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.456 13.288 -28.557 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.312 13.353 -27.519 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.119 13.882 -29.178 1.00 0.00 H new ATOM 1850 N PHE B 710 -14.828 15.460 -27.123 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.532 16.158 -26.064 1.00 0.00 C ATOM 1852 C PHE B 710 -14.635 17.115 -25.268 1.00 0.00 C ATOM 1853 O PHE B 710 -14.811 18.333 -25.387 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.261 15.175 -25.149 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.310 14.302 -25.807 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.448 14.880 -26.402 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.175 12.902 -25.770 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.457 14.059 -26.939 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.192 12.086 -26.289 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.333 12.660 -26.872 1.00 0.00 C ATOM 0 H PHE B 710 -15.270 15.623 -28.028 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.277 16.787 -26.551 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.519 14.527 -24.682 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -16.739 15.741 -24.349 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.547 15.955 -26.446 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.289 12.456 -25.342 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.326 14.503 -27.402 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.097 11.011 -26.240 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.114 12.028 -27.268 1.00 0.00 H new