USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= 0.615 USER MOD Set 1.2: A 51 THR OG1 : rot -90:sc= 0.367 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.4) USER MOD Set 2.2: A 19 MET CE :methyl -117:sc= -0.0327 (180deg=-0.277) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.517 USER MOD Single : A 12 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.61) USER MOD Single : A 17 TYR OH : rot 180:sc= -2.73! USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00151) USER MOD Single : A 21 THR OG1 : rot -8:sc= 0.228 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.73 X(o=-1.7,f=-2) USER MOD Single : A 27 TYR OH : rot 80:sc= -0.775 USER MOD Single : A 29 CYS SG : rot 36:sc= 0.0979 USER MOD Single : A 32 SER OG : rot -111:sc= 2.09 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 37 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.9) USER MOD Single : A 40 THR OG1 : rot 33:sc= 0.658 USER MOD Single : A 42 THR OG1 : rot -159:sc= -0.471 USER MOD Single : A 52 CYS SG : rot -120:sc= -2.9! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -117:sc= -1.34 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00744) USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.044 (180deg=-0.333) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.62! C(o=-7.6!,f=-8.1!) USER MOD Single : A 72 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.670 6.725 -4.740 1.00 0.00 N ATOM 67 CA LYS A 8 -19.016 6.453 -6.014 1.00 0.00 C ATOM 68 C LYS A 8 -17.524 6.204 -5.817 1.00 0.00 C ATOM 69 O LYS A 8 -16.868 6.886 -5.029 1.00 0.00 O ATOM 70 CB LYS A 8 -19.226 7.622 -6.978 1.00 0.00 C ATOM 71 CG LYS A 8 -20.583 7.614 -7.659 1.00 0.00 C ATOM 72 CD LYS A 8 -20.520 8.248 -9.038 1.00 0.00 C ATOM 73 CE LYS A 8 -20.730 9.753 -8.970 1.00 0.00 C ATOM 74 NZ LYS A 8 -20.319 10.428 -10.232 1.00 0.00 N ATOM 0 HA LYS A 8 -19.463 5.555 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.109 8.558 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.447 7.598 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.941 6.588 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.303 8.152 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.553 8.035 -9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.280 7.802 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.781 9.964 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.159 10.162 -8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.478 11.452 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.310 10.248 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.882 10.056 -11.024 1.00 0.00 H new ATOM 88 N THR A 9 -16.992 5.223 -6.540 1.00 0.00 N ATOM 89 CA THR A 9 -15.578 4.884 -6.445 1.00 0.00 C ATOM 90 C THR A 9 -14.704 6.018 -6.968 1.00 0.00 C ATOM 91 O THR A 9 -15.124 6.825 -7.799 1.00 0.00 O ATOM 92 CB THR A 9 -15.254 3.598 -7.230 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.874 3.926 -8.571 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.453 2.661 -7.252 1.00 0.00 C ATOM 0 H THR A 9 -17.520 4.649 -7.198 1.00 0.00 H new ATOM 0 HA THR A 9 -15.363 4.720 -5.389 1.00 0.00 H new ATOM 0 HB THR A 9 -14.427 3.092 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.668 3.104 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.201 1.760 -7.812 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.722 2.390 -6.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.296 3.160 -7.729 1.00 0.00 H new ATOM 102 N PRO A 10 -13.459 6.084 -6.473 1.00 0.00 N ATOM 103 CA PRO A 10 -12.500 7.116 -6.878 1.00 0.00 C ATOM 104 C PRO A 10 -12.024 6.933 -8.315 1.00 0.00 C ATOM 105 O PRO A 10 -11.358 7.805 -8.874 1.00 0.00 O ATOM 106 CB PRO A 10 -11.338 6.923 -5.901 1.00 0.00 C ATOM 107 CG PRO A 10 -11.427 5.495 -5.484 1.00 0.00 C ATOM 108 CD PRO A 10 -12.892 5.156 -5.481 1.00 0.00 C ATOM 0 HA PRO A 10 -12.938 8.114 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.381 7.138 -6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.425 7.592 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.879 4.852 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.990 5.349 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.064 4.116 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.336 5.300 -4.496 1.00 0.00 H new ATOM 116 N ILE A 11 -12.371 5.796 -8.908 1.00 0.00 N ATOM 117 CA ILE A 11 -11.980 5.500 -10.281 1.00 0.00 C ATOM 118 C ILE A 11 -13.077 5.897 -11.263 1.00 0.00 C ATOM 119 O ILE A 11 -12.797 6.325 -12.382 1.00 0.00 O ATOM 120 CB ILE A 11 -11.657 4.006 -10.465 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.585 3.566 -9.466 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.203 3.734 -11.892 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.214 4.129 -9.764 1.00 0.00 C ATOM 0 H ILE A 11 -12.922 5.064 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.083 6.085 -10.487 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.562 3.428 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.885 3.874 -8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.529 2.477 -9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.978 2.674 -12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.996 4.014 -12.586 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.309 4.320 -12.107 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.505 3.775 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.893 3.800 -10.752 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.255 5.218 -9.739 1.00 0.00 H new ATOM 135 N GLN A 12 -14.327 5.753 -10.834 1.00 0.00 N ATOM 136 CA GLN A 12 -15.467 6.098 -11.676 1.00 0.00 C ATOM 137 C GLN A 12 -15.755 7.594 -11.616 1.00 0.00 C ATOM 138 O GLN A 12 -16.376 8.154 -12.520 1.00 0.00 O ATOM 139 CB GLN A 12 -16.705 5.311 -11.241 1.00 0.00 C ATOM 140 CG GLN A 12 -16.726 3.879 -11.754 1.00 0.00 C ATOM 141 CD GLN A 12 -16.208 3.760 -13.173 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.845 4.224 -14.120 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.047 3.135 -13.329 1.00 0.00 N ATOM 0 H GLN A 12 -14.576 5.400 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.220 5.835 -12.705 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.754 5.299 -10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.597 5.828 -11.594 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.122 3.253 -11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.746 3.496 -11.710 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.553 2.766 -12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.649 3.024 -14.262 1.00 0.00 H new ATOM 152 N VAL A 13 -15.299 8.237 -10.546 1.00 0.00 N ATOM 153 CA VAL A 13 -15.507 9.669 -10.368 1.00 0.00 C ATOM 154 C VAL A 13 -14.454 10.475 -11.121 1.00 0.00 C ATOM 155 O VAL A 13 -14.776 11.252 -12.021 1.00 0.00 O ATOM 156 CB VAL A 13 -15.470 10.062 -8.879 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.649 11.564 -8.718 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.536 9.303 -8.103 1.00 0.00 C ATOM 0 H VAL A 13 -14.783 7.789 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.493 9.897 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.495 9.792 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.620 11.822 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.846 12.084 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.609 11.863 -9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.497 9.592 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.520 9.541 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.357 8.231 -8.191 1.00 0.00 H new ATOM 168 N LEU A 14 -13.193 10.284 -10.748 1.00 0.00 N ATOM 169 CA LEU A 14 -12.090 10.993 -11.388 1.00 0.00 C ATOM 170 C LEU A 14 -12.234 10.966 -12.906 1.00 0.00 C ATOM 171 O LEU A 14 -12.357 12.010 -13.548 1.00 0.00 O ATOM 172 CB LEU A 14 -10.754 10.371 -10.980 1.00 0.00 C ATOM 173 CG LEU A 14 -9.555 11.320 -10.946 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.253 10.534 -10.929 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.592 12.269 -12.134 1.00 0.00 C ATOM 0 H LEU A 14 -12.909 9.644 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.117 12.031 -11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.869 9.928 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.529 9.558 -11.670 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.610 11.912 -10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.411 11.226 -10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.224 9.896 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.189 9.916 -11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.731 12.937 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.562 11.694 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.509 12.857 -12.102 1.00 0.00 H new ATOM 187 N HIS A 15 -12.220 9.765 -13.476 1.00 0.00 N ATOM 188 CA HIS A 15 -12.351 9.601 -14.919 1.00 0.00 C ATOM 189 C HIS A 15 -13.585 10.334 -15.439 1.00 0.00 C ATOM 190 O HIS A 15 -13.471 11.346 -16.130 1.00 0.00 O ATOM 191 CB HIS A 15 -12.436 8.118 -15.281 1.00 0.00 C ATOM 192 CG HIS A 15 -12.397 7.858 -16.755 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.286 8.103 -17.534 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.341 7.368 -17.593 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.548 7.778 -18.787 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.789 7.329 -18.849 1.00 0.00 N ATOM 0 H HIS A 15 -12.119 8.891 -12.960 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.467 10.032 -15.390 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.611 7.588 -14.805 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.358 7.705 -14.872 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.342 7.064 -17.323 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.865 7.864 -19.619 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.261 7.006 -19.694 1.00 0.00 H new ATOM 204 N GLU A 16 -14.761 9.816 -15.101 1.00 0.00 N ATOM 205 CA GLU A 16 -16.015 10.421 -15.535 1.00 0.00 C ATOM 206 C GLU A 16 -15.925 11.944 -15.501 1.00 0.00 C ATOM 207 O GLU A 16 -16.461 12.628 -16.373 1.00 0.00 O ATOM 208 CB GLU A 16 -17.169 9.948 -14.649 1.00 0.00 C ATOM 209 CG GLU A 16 -17.624 8.529 -14.948 1.00 0.00 C ATOM 210 CD GLU A 16 -18.580 7.990 -13.902 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.579 8.678 -13.602 1.00 0.00 O ATOM 212 OE2 GLU A 16 -18.330 6.882 -13.383 1.00 0.00 O ATOM 0 H GLU A 16 -14.872 8.979 -14.528 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.203 10.108 -16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.863 10.010 -13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.014 10.625 -14.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.108 8.505 -15.924 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.752 7.877 -15.008 1.00 0.00 H new ATOM 219 N TYR A 17 -15.243 12.467 -14.488 1.00 0.00 N ATOM 220 CA TYR A 17 -15.084 13.909 -14.338 1.00 0.00 C ATOM 221 C TYR A 17 -14.135 14.466 -15.394 1.00 0.00 C ATOM 222 O TYR A 17 -14.446 15.445 -16.071 1.00 0.00 O ATOM 223 CB TYR A 17 -14.561 14.243 -12.940 1.00 0.00 C ATOM 224 CG TYR A 17 -13.829 15.563 -12.866 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.516 16.767 -12.959 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.449 15.607 -12.703 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.850 17.976 -12.893 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.776 16.811 -12.635 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.481 17.993 -12.731 1.00 0.00 C ATOM 230 OH TYR A 17 -11.814 19.195 -12.663 1.00 0.00 O ATOM 0 H TYR A 17 -14.792 11.915 -13.759 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.061 14.372 -14.474 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.399 14.262 -12.243 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.892 13.447 -12.612 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.589 16.758 -13.085 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.894 14.684 -12.628 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.399 18.903 -12.968 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.704 16.827 -12.507 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.855 19.031 -12.547 1.00 0.00 H new ATOM 240 N GLY A 18 -12.974 13.832 -15.531 1.00 0.00 N ATOM 241 CA GLY A 18 -11.996 14.276 -16.506 1.00 0.00 C ATOM 242 C GLY A 18 -12.634 14.703 -17.813 1.00 0.00 C ATOM 243 O GLY A 18 -12.179 15.651 -18.453 1.00 0.00 O ATOM 0 H GLY A 18 -12.694 13.018 -14.983 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.428 15.110 -16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.287 13.471 -16.697 1.00 0.00 H new ATOM 247 N MET A 19 -13.689 14.001 -18.212 1.00 0.00 N ATOM 248 CA MET A 19 -14.390 14.313 -19.452 1.00 0.00 C ATOM 249 C MET A 19 -14.891 15.754 -19.446 1.00 0.00 C ATOM 250 O MET A 19 -14.680 16.500 -20.402 1.00 0.00 O ATOM 251 CB MET A 19 -15.564 13.354 -19.655 1.00 0.00 C ATOM 252 CG MET A 19 -15.144 11.900 -19.794 1.00 0.00 C ATOM 253 SD MET A 19 -16.550 10.774 -19.871 1.00 0.00 S ATOM 254 CE MET A 19 -15.777 9.233 -19.386 1.00 0.00 C ATOM 0 H MET A 19 -14.077 13.212 -17.695 1.00 0.00 H new ATOM 0 HA MET A 19 -13.687 14.195 -20.277 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.248 13.447 -18.812 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.115 13.651 -20.547 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.542 11.785 -20.695 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.511 11.627 -18.950 1.00 0.00 H new ATOM 0 HE1 MET A 19 -15.837 8.521 -20.209 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.731 9.413 -19.138 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.292 8.826 -18.516 1.00 0.00 H new ATOM 264 N LYS A 20 -15.556 16.140 -18.362 1.00 0.00 N ATOM 265 CA LYS A 20 -16.087 17.491 -18.230 1.00 0.00 C ATOM 266 C LYS A 20 -14.992 18.530 -18.454 1.00 0.00 C ATOM 267 O LYS A 20 -15.181 19.498 -19.192 1.00 0.00 O ATOM 268 CB LYS A 20 -16.711 17.683 -16.846 1.00 0.00 C ATOM 269 CG LYS A 20 -18.186 17.326 -16.790 1.00 0.00 C ATOM 270 CD LYS A 20 -18.391 15.845 -16.517 1.00 0.00 C ATOM 271 CE LYS A 20 -18.154 15.510 -15.052 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.312 15.899 -14.200 1.00 0.00 N ATOM 0 H LYS A 20 -15.740 15.535 -17.562 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.856 17.628 -18.991 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.170 17.071 -16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.585 18.722 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.674 17.912 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.662 17.592 -17.734 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.405 15.559 -16.797 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.712 15.262 -17.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.970 14.441 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.258 16.022 -14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.126 15.624 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.451 16.928 -14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.169 15.417 -14.538 1.00 0.00 H new ATOM 286 N THR A 21 -13.846 18.323 -17.813 1.00 0.00 N ATOM 287 CA THR A 21 -12.721 19.240 -17.942 1.00 0.00 C ATOM 288 C THR A 21 -11.890 18.921 -19.180 1.00 0.00 C ATOM 289 O THR A 21 -10.687 19.181 -19.217 1.00 0.00 O ATOM 290 CB THR A 21 -11.811 19.192 -16.700 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.263 17.878 -16.545 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.584 19.576 -15.448 1.00 0.00 C ATOM 0 H THR A 21 -13.673 17.527 -17.199 1.00 0.00 H new ATOM 0 HA THR A 21 -13.140 20.242 -18.037 1.00 0.00 H new ATOM 0 HB THR A 21 -11.002 19.908 -16.842 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.684 17.270 -17.188 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.921 19.535 -14.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.975 20.588 -15.558 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.411 18.881 -15.304 1.00 0.00 H new ATOM 300 N LYS A 22 -12.539 18.356 -20.192 1.00 0.00 N ATOM 301 CA LYS A 22 -11.861 18.002 -21.434 1.00 0.00 C ATOM 302 C LYS A 22 -10.481 17.417 -21.152 1.00 0.00 C ATOM 303 O LYS A 22 -9.584 17.486 -21.991 1.00 0.00 O ATOM 304 CB LYS A 22 -11.731 19.232 -22.336 1.00 0.00 C ATOM 305 CG LYS A 22 -13.066 19.818 -22.761 1.00 0.00 C ATOM 306 CD LYS A 22 -13.820 18.876 -23.684 1.00 0.00 C ATOM 307 CE LYS A 22 -14.808 19.629 -24.563 1.00 0.00 C ATOM 308 NZ LYS A 22 -15.178 18.848 -25.776 1.00 0.00 N ATOM 0 H LYS A 22 -13.534 18.133 -20.177 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.459 17.247 -21.944 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.158 19.997 -21.812 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.163 18.961 -23.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.671 20.025 -21.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.902 20.770 -23.266 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.112 18.335 -24.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.352 18.132 -23.091 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.706 19.855 -23.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.374 20.582 -24.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.852 19.395 -26.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.324 18.654 -26.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.616 17.949 -25.490 1.00 0.00 H new ATOM 322 N ASN A 23 -10.319 16.838 -19.966 1.00 0.00 N ATOM 323 CA ASN A 23 -9.048 16.240 -19.575 1.00 0.00 C ATOM 324 C ASN A 23 -9.270 14.906 -18.869 1.00 0.00 C ATOM 325 O ASN A 23 -9.798 14.861 -17.758 1.00 0.00 O ATOM 326 CB ASN A 23 -8.272 17.191 -18.662 1.00 0.00 C ATOM 327 CG ASN A 23 -7.962 18.514 -19.334 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.584 18.555 -20.505 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.122 19.605 -18.594 1.00 0.00 N ATOM 0 H ASN A 23 -11.052 16.771 -19.260 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.466 16.060 -20.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.851 17.374 -17.756 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.340 16.716 -18.355 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.930 20.524 -18.992 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.437 19.524 -17.627 1.00 0.00 H new ATOM 336 N ILE A 24 -8.862 13.822 -19.520 1.00 0.00 N ATOM 337 CA ILE A 24 -9.014 12.488 -18.954 1.00 0.00 C ATOM 338 C ILE A 24 -7.776 12.082 -18.162 1.00 0.00 C ATOM 339 O ILE A 24 -6.640 12.319 -18.574 1.00 0.00 O ATOM 340 CB ILE A 24 -9.276 11.438 -20.050 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.529 11.804 -20.848 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.420 10.054 -19.434 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.754 12.016 -19.987 1.00 0.00 C ATOM 0 H ILE A 24 -8.423 13.842 -20.441 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.874 12.525 -18.285 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.425 11.425 -20.731 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.334 12.712 -21.418 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.734 11.013 -21.569 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.605 9.323 -20.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.503 9.794 -18.905 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.255 10.052 -18.734 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.604 12.272 -20.620 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.974 11.101 -19.436 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.568 12.827 -19.283 1.00 0.00 H new ATOM 355 N PRO A 25 -7.997 11.453 -16.999 1.00 0.00 N ATOM 356 CA PRO A 25 -6.911 10.998 -16.125 1.00 0.00 C ATOM 357 C PRO A 25 -6.138 9.828 -16.723 1.00 0.00 C ATOM 358 O PRO A 25 -6.672 8.728 -16.871 1.00 0.00 O ATOM 359 CB PRO A 25 -7.639 10.563 -14.851 1.00 0.00 C ATOM 360 CG PRO A 25 -9.015 10.211 -15.302 1.00 0.00 C ATOM 361 CD PRO A 25 -9.325 11.137 -16.446 1.00 0.00 C ATOM 0 HA PRO A 25 -6.166 11.777 -15.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.145 9.711 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.657 11.364 -14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.068 9.169 -15.618 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.735 10.336 -14.493 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.966 10.659 -17.187 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.843 12.034 -16.108 1.00 0.00 H new ATOM 369 N VAL A 26 -4.877 10.070 -17.066 1.00 0.00 N ATOM 370 CA VAL A 26 -4.030 9.035 -17.646 1.00 0.00 C ATOM 371 C VAL A 26 -3.432 8.143 -16.564 1.00 0.00 C ATOM 372 O VAL A 26 -3.165 8.594 -15.450 1.00 0.00 O ATOM 373 CB VAL A 26 -2.888 9.647 -18.480 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.439 10.638 -19.494 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.864 10.313 -17.573 1.00 0.00 C ATOM 0 H VAL A 26 -4.419 10.974 -16.952 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.665 8.435 -18.297 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.390 8.845 -19.025 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.618 11.060 -20.074 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.131 10.127 -20.164 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.964 11.438 -18.972 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.065 10.740 -18.179 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.346 11.104 -16.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.446 9.573 -16.891 1.00 0.00 H new ATOM 385 N TYR A 27 -3.224 6.875 -16.900 1.00 0.00 N ATOM 386 CA TYR A 27 -2.660 5.917 -15.956 1.00 0.00 C ATOM 387 C TYR A 27 -1.542 5.107 -16.605 1.00 0.00 C ATOM 388 O TYR A 27 -1.784 4.308 -17.508 1.00 0.00 O ATOM 389 CB TYR A 27 -3.750 4.978 -15.436 1.00 0.00 C ATOM 390 CG TYR A 27 -4.827 5.682 -14.642 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.760 6.497 -15.269 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.911 5.531 -13.263 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.746 7.142 -14.547 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.893 6.171 -12.533 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.808 6.976 -13.179 1.00 0.00 C ATOM 396 OH TYR A 27 -7.789 7.616 -12.456 1.00 0.00 O ATOM 0 H TYR A 27 -3.437 6.486 -17.819 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.241 6.475 -15.118 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.210 4.465 -16.281 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.291 4.213 -14.810 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.714 6.629 -16.340 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.196 4.902 -12.753 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.464 7.772 -15.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.944 6.042 -11.462 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.629 7.117 -12.532 1.00 0.00 H new ATOM 406 N GLU A 28 -0.316 5.320 -16.136 1.00 0.00 N ATOM 407 CA GLU A 28 0.840 4.610 -16.670 1.00 0.00 C ATOM 408 C GLU A 28 1.636 3.946 -15.550 1.00 0.00 C ATOM 409 O GLU A 28 1.911 4.562 -14.520 1.00 0.00 O ATOM 410 CB GLU A 28 1.740 5.570 -17.450 1.00 0.00 C ATOM 411 CG GLU A 28 1.427 5.626 -18.936 1.00 0.00 C ATOM 412 CD GLU A 28 1.947 4.416 -19.688 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.398 3.313 -19.487 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.902 4.572 -20.477 1.00 0.00 O ATOM 0 H GLU A 28 -0.098 5.978 -15.388 1.00 0.00 H new ATOM 0 HA GLU A 28 0.478 3.834 -17.344 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.641 6.570 -17.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.779 5.269 -17.317 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.348 5.699 -19.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.864 6.529 -19.362 1.00 0.00 H new ATOM 421 N CYS A 29 2.001 2.686 -15.760 1.00 0.00 N ATOM 422 CA CYS A 29 2.765 1.937 -14.768 1.00 0.00 C ATOM 423 C CYS A 29 4.255 2.234 -14.891 1.00 0.00 C ATOM 424 O CYS A 29 4.851 2.041 -15.950 1.00 0.00 O ATOM 425 CB CYS A 29 2.516 0.436 -14.930 1.00 0.00 C ATOM 426 SG CYS A 29 2.899 -0.201 -16.578 1.00 0.00 S ATOM 0 H CYS A 29 1.781 2.162 -16.607 1.00 0.00 H new ATOM 0 HA CYS A 29 2.432 2.249 -13.778 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.115 -0.102 -14.196 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.471 0.225 -14.704 1.00 0.00 H new ATOM 0 HG CYS A 29 3.930 0.429 -17.058 1.00 0.00 H new ATOM 432 N GLU A 30 4.851 2.706 -13.800 1.00 0.00 N ATOM 433 CA GLU A 30 6.272 3.033 -13.787 1.00 0.00 C ATOM 434 C GLU A 30 7.098 1.849 -13.292 1.00 0.00 C ATOM 435 O GLU A 30 7.867 1.256 -14.047 1.00 0.00 O ATOM 436 CB GLU A 30 6.530 4.255 -12.903 1.00 0.00 C ATOM 437 CG GLU A 30 6.328 5.579 -13.620 1.00 0.00 C ATOM 438 CD GLU A 30 6.634 6.773 -12.738 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.742 6.819 -12.164 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.764 7.662 -12.621 1.00 0.00 O ATOM 0 H GLU A 30 4.372 2.870 -12.915 1.00 0.00 H new ATOM 0 HA GLU A 30 6.575 3.263 -14.808 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.866 4.214 -12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.551 4.209 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.967 5.611 -14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.298 5.645 -13.970 1.00 0.00 H new ATOM 447 N ARG A 31 6.933 1.513 -12.017 1.00 0.00 N ATOM 448 CA ARG A 31 7.664 0.402 -11.419 1.00 0.00 C ATOM 449 C ARG A 31 6.746 -0.798 -11.200 1.00 0.00 C ATOM 450 O ARG A 31 5.667 -0.669 -10.623 1.00 0.00 O ATOM 451 CB ARG A 31 8.286 0.830 -10.088 1.00 0.00 C ATOM 452 CG ARG A 31 9.595 1.587 -10.244 1.00 0.00 C ATOM 453 CD ARG A 31 10.332 1.704 -8.919 1.00 0.00 C ATOM 454 NE ARG A 31 11.428 2.667 -8.985 1.00 0.00 N ATOM 455 CZ ARG A 31 11.248 3.978 -9.103 1.00 0.00 C ATOM 456 NH1 ARG A 31 10.022 4.479 -9.166 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.295 4.790 -9.156 1.00 0.00 N ATOM 0 H ARG A 31 6.300 1.994 -11.378 1.00 0.00 H new ATOM 0 HA ARG A 31 8.458 0.111 -12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.575 1.457 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.458 -0.055 -9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.228 1.076 -10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.396 2.583 -10.640 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.632 2.005 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.724 0.727 -8.635 1.00 0.00 H new ATOM 0 HE ARG A 31 12.384 2.314 -8.938 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.214 3.858 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.887 5.486 -9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.240 4.408 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.156 5.796 -9.247 1.00 0.00 H new ATOM 471 N SER A 32 7.183 -1.963 -11.667 1.00 0.00 N ATOM 472 CA SER A 32 6.400 -3.185 -11.527 1.00 0.00 C ATOM 473 C SER A 32 7.252 -4.315 -10.957 1.00 0.00 C ATOM 474 O SER A 32 8.046 -4.929 -11.670 1.00 0.00 O ATOM 475 CB SER A 32 5.819 -3.602 -12.880 1.00 0.00 C ATOM 476 OG SER A 32 5.139 -2.522 -13.497 1.00 0.00 O ATOM 0 H SER A 32 8.075 -2.086 -12.146 1.00 0.00 H new ATOM 0 HA SER A 32 5.582 -2.985 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.620 -3.951 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.133 -4.437 -12.743 1.00 0.00 H new ATOM 0 HG SER A 32 4.177 -2.707 -13.512 1.00 0.00 H new ATOM 482 N ASP A 33 7.082 -4.582 -9.667 1.00 0.00 N ATOM 483 CA ASP A 33 7.835 -5.638 -9.000 1.00 0.00 C ATOM 484 C ASP A 33 6.931 -6.821 -8.665 1.00 0.00 C ATOM 485 O ASP A 33 5.885 -6.658 -8.036 1.00 0.00 O ATOM 486 CB ASP A 33 8.486 -5.102 -7.724 1.00 0.00 C ATOM 487 CG ASP A 33 9.799 -4.394 -7.998 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.747 -5.062 -8.462 1.00 0.00 O ATOM 489 OD2 ASP A 33 9.877 -3.173 -7.750 1.00 0.00 O ATOM 0 H ASP A 33 6.430 -4.082 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 33 8.615 -5.980 -9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.800 -4.412 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.659 -5.927 -7.033 1.00 0.00 H new ATOM 494 N VAL A 34 7.340 -8.012 -9.092 1.00 0.00 N ATOM 495 CA VAL A 34 6.568 -9.222 -8.838 1.00 0.00 C ATOM 496 C VAL A 34 7.326 -10.174 -7.919 1.00 0.00 C ATOM 497 O VAL A 34 8.175 -10.942 -8.370 1.00 0.00 O ATOM 498 CB VAL A 34 6.225 -9.954 -10.148 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.204 -9.162 -10.951 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.484 -10.200 -10.966 1.00 0.00 C ATOM 0 H VAL A 34 8.202 -8.164 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 34 5.643 -8.912 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 34 5.786 -10.920 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.974 -9.695 -11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.293 -9.042 -10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.612 -8.180 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.223 -10.718 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.954 -9.246 -11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.178 -10.812 -10.390 1.00 0.00 H new ATOM 510 N GLN A 35 7.012 -10.118 -6.629 1.00 0.00 N ATOM 511 CA GLN A 35 7.663 -10.977 -5.647 1.00 0.00 C ATOM 512 C GLN A 35 6.639 -11.823 -4.899 1.00 0.00 C ATOM 513 O GLN A 35 6.961 -12.897 -4.388 1.00 0.00 O ATOM 514 CB GLN A 35 8.468 -10.134 -4.655 1.00 0.00 C ATOM 515 CG GLN A 35 9.635 -9.396 -5.291 1.00 0.00 C ATOM 516 CD GLN A 35 10.340 -8.472 -4.318 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.416 -8.752 -3.122 1.00 0.00 O ATOM 518 NE2 GLN A 35 10.861 -7.361 -4.828 1.00 0.00 N ATOM 0 H GLN A 35 6.311 -9.487 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 35 8.340 -11.646 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.804 -9.409 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.846 -10.781 -3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.350 -10.121 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.274 -8.816 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.775 -7.169 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.347 -6.701 -4.222 1.00 0.00 H new ATOM 527 N ILE A 36 5.405 -11.333 -4.838 1.00 0.00 N ATOM 528 CA ILE A 36 4.334 -12.046 -4.152 1.00 0.00 C ATOM 529 C ILE A 36 3.044 -12.013 -4.965 1.00 0.00 C ATOM 530 O ILE A 36 2.931 -11.270 -5.941 1.00 0.00 O ATOM 531 CB ILE A 36 4.064 -11.451 -2.758 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.352 -10.103 -2.884 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.367 -11.298 -1.986 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.152 -9.064 -3.638 1.00 0.00 C ATOM 0 H ILE A 36 5.122 -10.446 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 36 4.664 -13.079 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 36 3.416 -12.133 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.398 -10.251 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.129 -9.724 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.160 -10.876 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.838 -12.274 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.037 -10.634 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.585 -8.134 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.096 -8.886 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.352 -9.422 -4.648 1.00 0.00 H new ATOM 546 N HIS A 37 2.072 -12.821 -4.555 1.00 0.00 N ATOM 547 CA HIS A 37 0.788 -12.883 -5.244 1.00 0.00 C ATOM 548 C HIS A 37 0.370 -11.502 -5.740 1.00 0.00 C ATOM 549 O HIS A 37 0.052 -11.323 -6.916 1.00 0.00 O ATOM 550 CB HIS A 37 -0.286 -13.450 -4.315 1.00 0.00 C ATOM 551 CG HIS A 37 -0.530 -12.611 -3.099 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.460 -12.294 -2.192 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.659 -12.021 -2.642 1.00 0.00 C ATOM 554 CE1 HIS A 37 -0.051 -11.547 -1.230 1.00 0.00 C ATOM 555 NE2 HIS A 37 -1.335 -11.366 -1.479 1.00 0.00 N ATOM 0 H HIS A 37 2.149 -13.442 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 37 0.898 -13.541 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.219 -13.550 -4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.008 -14.452 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.634 -12.058 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.490 -11.151 -0.383 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.981 -10.828 -0.902 1.00 0.00 H new ATOM 563 N VAL A 38 0.373 -10.528 -4.835 1.00 0.00 N ATOM 564 CA VAL A 38 -0.005 -9.163 -5.181 1.00 0.00 C ATOM 565 C VAL A 38 1.225 -8.281 -5.361 1.00 0.00 C ATOM 566 O VAL A 38 1.826 -7.806 -4.396 1.00 0.00 O ATOM 567 CB VAL A 38 -0.915 -8.542 -4.104 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.153 -8.365 -2.799 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.481 -7.215 -4.585 1.00 0.00 C ATOM 0 H VAL A 38 0.633 -10.659 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.552 -9.215 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.748 -9.221 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.811 -7.925 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.198 -9.335 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.701 -7.707 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.121 -6.791 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.663 -6.526 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.065 -7.376 -5.491 1.00 0.00 H new ATOM 579 N PRO A 39 1.611 -8.054 -6.625 1.00 0.00 N ATOM 580 CA PRO A 39 2.773 -7.226 -6.962 1.00 0.00 C ATOM 581 C PRO A 39 2.539 -5.749 -6.665 1.00 0.00 C ATOM 582 O PRO A 39 1.463 -5.359 -6.209 1.00 0.00 O ATOM 583 CB PRO A 39 2.943 -7.448 -8.467 1.00 0.00 C ATOM 584 CG PRO A 39 1.585 -7.825 -8.950 1.00 0.00 C ATOM 585 CD PRO A 39 0.942 -8.587 -7.824 1.00 0.00 C ATOM 0 HA PRO A 39 3.650 -7.498 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.303 -6.546 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.669 -8.235 -8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.002 -6.940 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.647 -8.437 -9.850 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.135 -8.421 -7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.096 -9.661 -7.926 1.00 0.00 H new ATOM 593 N THR A 40 3.552 -4.929 -6.926 1.00 0.00 N ATOM 594 CA THR A 40 3.456 -3.495 -6.686 1.00 0.00 C ATOM 595 C THR A 40 3.629 -2.708 -7.980 1.00 0.00 C ATOM 596 O THR A 40 4.687 -2.750 -8.607 1.00 0.00 O ATOM 597 CB THR A 40 4.512 -3.024 -5.667 1.00 0.00 C ATOM 598 OG1 THR A 40 5.827 -3.277 -6.173 1.00 0.00 O ATOM 599 CG2 THR A 40 4.330 -3.732 -4.333 1.00 0.00 C ATOM 0 H THR A 40 4.449 -5.234 -7.304 1.00 0.00 H new ATOM 0 HA THR A 40 2.462 -3.308 -6.281 1.00 0.00 H new ATOM 0 HB THR A 40 4.383 -1.953 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.824 -3.190 -7.149 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.086 -3.383 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.338 -3.513 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.435 -4.808 -4.475 1.00 0.00 H new ATOM 607 N PHE A 41 2.583 -1.989 -8.374 1.00 0.00 N ATOM 608 CA PHE A 41 2.619 -1.192 -9.594 1.00 0.00 C ATOM 609 C PHE A 41 2.405 0.287 -9.285 1.00 0.00 C ATOM 610 O PHE A 41 1.464 0.657 -8.583 1.00 0.00 O ATOM 611 CB PHE A 41 1.553 -1.678 -10.578 1.00 0.00 C ATOM 612 CG PHE A 41 1.921 -2.955 -11.278 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.943 -4.157 -10.589 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.244 -2.953 -12.626 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.281 -5.334 -11.231 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.582 -4.127 -13.273 1.00 0.00 C ATOM 617 CZ PHE A 41 2.602 -5.318 -12.574 1.00 0.00 C ATOM 0 H PHE A 41 1.700 -1.942 -7.866 1.00 0.00 H new ATOM 0 HA PHE A 41 3.603 -1.312 -10.047 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.615 -1.824 -10.042 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.377 -0.902 -11.323 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.693 -4.175 -9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.231 -2.024 -13.177 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.294 -6.265 -10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.830 -4.113 -14.324 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.868 -6.236 -13.077 1.00 0.00 H new ATOM 627 N THR A 42 3.287 1.129 -9.814 1.00 0.00 N ATOM 628 CA THR A 42 3.198 2.567 -9.593 1.00 0.00 C ATOM 629 C THR A 42 2.500 3.259 -10.758 1.00 0.00 C ATOM 630 O THR A 42 3.084 3.437 -11.828 1.00 0.00 O ATOM 631 CB THR A 42 4.591 3.194 -9.399 1.00 0.00 C ATOM 632 OG1 THR A 42 5.243 2.598 -8.272 1.00 0.00 O ATOM 633 CG2 THR A 42 4.485 4.697 -9.193 1.00 0.00 C ATOM 0 H THR A 42 4.071 0.840 -10.399 1.00 0.00 H new ATOM 0 HA THR A 42 2.614 2.711 -8.684 1.00 0.00 H new ATOM 0 HB THR A 42 5.177 3.008 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.954 3.193 -7.953 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.482 5.117 -9.058 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.015 5.151 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.883 4.901 -8.308 1.00 0.00 H new ATOM 641 N PHE A 43 1.247 3.649 -10.545 1.00 0.00 N ATOM 642 CA PHE A 43 0.470 4.322 -11.579 1.00 0.00 C ATOM 643 C PHE A 43 0.529 5.837 -11.404 1.00 0.00 C ATOM 644 O PHE A 43 0.314 6.356 -10.308 1.00 0.00 O ATOM 645 CB PHE A 43 -0.985 3.850 -11.540 1.00 0.00 C ATOM 646 CG PHE A 43 -1.240 2.624 -12.369 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.395 2.720 -13.743 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.322 1.375 -11.775 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.630 1.593 -14.508 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.556 0.244 -12.535 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.709 0.354 -13.903 1.00 0.00 C ATOM 0 H PHE A 43 0.749 3.510 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 43 0.902 4.068 -12.547 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.264 3.645 -10.507 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.630 4.656 -11.890 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.331 3.686 -14.221 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.202 1.284 -10.706 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.752 1.681 -15.577 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.619 -0.724 -12.060 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.890 -0.528 -14.499 1.00 0.00 H new ATOM 661 N ARG A 44 0.823 6.541 -12.493 1.00 0.00 N ATOM 662 CA ARG A 44 0.914 7.996 -12.461 1.00 0.00 C ATOM 663 C ARG A 44 -0.339 8.631 -13.057 1.00 0.00 C ATOM 664 O ARG A 44 -0.672 8.400 -14.219 1.00 0.00 O ATOM 665 CB ARG A 44 2.152 8.468 -13.225 1.00 0.00 C ATOM 666 CG ARG A 44 2.470 9.940 -13.019 1.00 0.00 C ATOM 667 CD ARG A 44 3.946 10.227 -13.241 1.00 0.00 C ATOM 668 NE ARG A 44 4.288 11.612 -12.927 1.00 0.00 N ATOM 669 CZ ARG A 44 5.352 12.236 -13.419 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.173 11.603 -14.245 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.596 13.498 -13.086 1.00 0.00 N ATOM 0 H ARG A 44 1.002 6.127 -13.408 1.00 0.00 H new ATOM 0 HA ARG A 44 0.999 8.308 -11.420 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.010 7.872 -12.913 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.005 8.282 -14.289 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.874 10.542 -13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.189 10.236 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.543 9.557 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.204 10.016 -14.279 1.00 0.00 H new ATOM 0 HE ARG A 44 3.676 12.128 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.988 10.634 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.989 12.085 -14.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.966 13.989 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.414 13.976 -13.464 1.00 0.00 H new ATOM 685 N VAL A 45 -1.030 9.432 -12.252 1.00 0.00 N ATOM 686 CA VAL A 45 -2.245 10.102 -12.700 1.00 0.00 C ATOM 687 C VAL A 45 -1.983 11.573 -13.002 1.00 0.00 C ATOM 688 O VAL A 45 -1.561 12.333 -12.130 1.00 0.00 O ATOM 689 CB VAL A 45 -3.364 9.998 -11.646 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.178 11.049 -10.563 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.729 10.134 -12.304 1.00 0.00 C ATOM 0 H VAL A 45 -0.769 9.633 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.566 9.598 -13.612 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.308 9.015 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.978 10.960 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.216 10.900 -10.072 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.206 12.042 -11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.508 10.058 -11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.799 11.102 -12.800 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.860 9.339 -13.039 1.00 0.00 H new ATOM 701 N THR A 46 -2.235 11.970 -14.246 1.00 0.00 N ATOM 702 CA THR A 46 -2.026 13.350 -14.665 1.00 0.00 C ATOM 703 C THR A 46 -3.319 13.970 -15.183 1.00 0.00 C ATOM 704 O THR A 46 -3.791 13.631 -16.268 1.00 0.00 O ATOM 705 CB THR A 46 -0.949 13.447 -15.762 1.00 0.00 C ATOM 706 OG1 THR A 46 0.320 13.038 -15.239 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.848 14.867 -16.298 1.00 0.00 C ATOM 0 H THR A 46 -2.584 11.355 -14.981 1.00 0.00 H new ATOM 0 HA THR A 46 -1.690 13.899 -13.786 1.00 0.00 H new ATOM 0 HB THR A 46 -1.235 12.787 -16.581 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.999 13.101 -15.942 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.081 14.910 -17.071 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.807 15.165 -16.721 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.583 15.544 -15.486 1.00 0.00 H new ATOM 715 N VAL A 47 -3.889 14.880 -14.399 1.00 0.00 N ATOM 716 CA VAL A 47 -5.127 15.549 -14.780 1.00 0.00 C ATOM 717 C VAL A 47 -4.922 17.055 -14.905 1.00 0.00 C ATOM 718 O VAL A 47 -4.799 17.760 -13.905 1.00 0.00 O ATOM 719 CB VAL A 47 -6.248 15.278 -13.759 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.474 16.121 -14.075 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.600 13.798 -13.736 1.00 0.00 C ATOM 0 H VAL A 47 -3.513 15.171 -13.496 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.421 15.144 -15.748 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.890 15.559 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.255 15.916 -13.343 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.209 17.178 -14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.838 15.875 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.394 13.624 -13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.939 13.489 -14.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.720 13.219 -13.457 1.00 0.00 H new ATOM 731 N GLY A 48 -4.888 17.541 -16.143 1.00 0.00 N ATOM 732 CA GLY A 48 -4.698 18.960 -16.377 1.00 0.00 C ATOM 733 C GLY A 48 -3.340 19.448 -15.912 1.00 0.00 C ATOM 734 O GLY A 48 -2.372 19.426 -16.672 1.00 0.00 O ATOM 0 H GLY A 48 -4.989 16.977 -16.987 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.810 19.168 -17.441 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.478 19.518 -15.859 1.00 0.00 H new ATOM 738 N ASP A 49 -3.269 19.892 -14.662 1.00 0.00 N ATOM 739 CA ASP A 49 -2.019 20.389 -14.098 1.00 0.00 C ATOM 740 C ASP A 49 -1.588 19.542 -12.904 1.00 0.00 C ATOM 741 O ASP A 49 -0.413 19.524 -12.536 1.00 0.00 O ATOM 742 CB ASP A 49 -2.172 21.850 -13.673 1.00 0.00 C ATOM 743 CG ASP A 49 -1.836 22.816 -14.792 1.00 0.00 C ATOM 744 OD1 ASP A 49 -2.553 22.812 -15.814 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.856 23.577 -14.646 1.00 0.00 O ATOM 0 H ASP A 49 -4.061 19.918 -14.020 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.249 20.321 -14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.196 22.024 -13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.523 22.047 -12.820 1.00 0.00 H new ATOM 750 N ILE A 50 -2.545 18.843 -12.305 1.00 0.00 N ATOM 751 CA ILE A 50 -2.264 17.994 -11.153 1.00 0.00 C ATOM 752 C ILE A 50 -1.728 16.635 -11.590 1.00 0.00 C ATOM 753 O ILE A 50 -2.308 15.973 -12.452 1.00 0.00 O ATOM 754 CB ILE A 50 -3.520 17.784 -10.288 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.146 19.132 -9.923 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.174 16.997 -9.033 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.534 19.014 -9.335 1.00 0.00 C ATOM 0 H ILE A 50 -3.522 18.847 -12.598 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.507 18.507 -10.560 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.247 17.211 -10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.500 19.642 -9.209 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.190 19.756 -10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.073 16.857 -8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.770 16.024 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.431 17.545 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.915 20.008 -9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.195 18.533 -10.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.494 18.416 -8.424 1.00 0.00 H new ATOM 769 N THR A 51 -0.616 16.222 -10.989 1.00 0.00 N ATOM 770 CA THR A 51 -0.002 14.941 -11.315 1.00 0.00 C ATOM 771 C THR A 51 0.413 14.194 -10.053 1.00 0.00 C ATOM 772 O THR A 51 1.295 14.640 -9.317 1.00 0.00 O ATOM 773 CB THR A 51 1.232 15.124 -12.219 1.00 0.00 C ATOM 774 OG1 THR A 51 0.819 15.369 -13.568 1.00 0.00 O ATOM 775 CG2 THR A 51 2.124 13.892 -12.172 1.00 0.00 C ATOM 0 H THR A 51 -0.123 16.756 -10.274 1.00 0.00 H new ATOM 0 HA THR A 51 -0.752 14.357 -11.850 1.00 0.00 H new ATOM 0 HB THR A 51 1.800 15.979 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.730 14.516 -14.043 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.989 14.044 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.460 13.725 -11.149 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.563 13.023 -12.516 1.00 0.00 H new ATOM 783 N CYS A 52 -0.225 13.055 -9.808 1.00 0.00 N ATOM 784 CA CYS A 52 0.078 12.245 -8.634 1.00 0.00 C ATOM 785 C CYS A 52 0.459 10.824 -9.037 1.00 0.00 C ATOM 786 O CYS A 52 0.461 10.481 -10.220 1.00 0.00 O ATOM 787 CB CYS A 52 -1.121 12.215 -7.686 1.00 0.00 C ATOM 788 SG CYS A 52 -1.512 13.814 -6.938 1.00 0.00 S ATOM 0 H CYS A 52 -0.956 12.671 -10.407 1.00 0.00 H new ATOM 0 HA CYS A 52 0.926 12.697 -8.121 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.994 11.859 -8.233 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.925 11.493 -6.893 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.428 13.720 -5.644 1.00 0.00 H new ATOM 794 N THR A 53 0.784 10.000 -8.045 1.00 0.00 N ATOM 795 CA THR A 53 1.170 8.617 -8.296 1.00 0.00 C ATOM 796 C THR A 53 0.698 7.702 -7.173 1.00 0.00 C ATOM 797 O THR A 53 0.655 8.102 -6.010 1.00 0.00 O ATOM 798 CB THR A 53 2.697 8.479 -8.448 1.00 0.00 C ATOM 799 OG1 THR A 53 3.323 8.517 -7.161 1.00 0.00 O ATOM 800 CG2 THR A 53 3.256 9.590 -9.323 1.00 0.00 C ATOM 0 H THR A 53 0.787 10.267 -7.061 1.00 0.00 H new ATOM 0 HA THR A 53 0.691 8.319 -9.229 1.00 0.00 H new ATOM 0 HB THR A 53 2.908 7.522 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.293 8.427 -7.266 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.336 9.472 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.799 9.539 -10.311 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.035 10.556 -8.870 1.00 0.00 H new ATOM 808 N GLY A 54 0.344 6.471 -7.528 1.00 0.00 N ATOM 809 CA GLY A 54 -0.120 5.517 -6.537 1.00 0.00 C ATOM 810 C GLY A 54 0.770 4.294 -6.447 1.00 0.00 C ATOM 811 O GLY A 54 0.557 3.311 -7.155 1.00 0.00 O ATOM 0 H GLY A 54 0.370 6.117 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.164 6.003 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.135 5.206 -6.784 1.00 0.00 H new ATOM 815 N GLU A 55 1.772 4.356 -5.575 1.00 0.00 N ATOM 816 CA GLU A 55 2.699 3.244 -5.399 1.00 0.00 C ATOM 817 C GLU A 55 2.398 2.484 -4.110 1.00 0.00 C ATOM 818 O GLU A 55 2.036 3.079 -3.096 1.00 0.00 O ATOM 819 CB GLU A 55 4.142 3.753 -5.379 1.00 0.00 C ATOM 820 CG GLU A 55 5.177 2.644 -5.292 1.00 0.00 C ATOM 821 CD GLU A 55 6.599 3.168 -5.349 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.042 3.789 -4.361 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.269 2.957 -6.382 1.00 0.00 O ATOM 0 H GLU A 55 1.962 5.163 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 55 2.573 2.562 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.324 4.339 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.270 4.425 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.034 2.091 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.020 1.940 -6.110 1.00 0.00 H new ATOM 830 N GLY A 56 2.552 1.164 -4.158 1.00 0.00 N ATOM 831 CA GLY A 56 2.292 0.344 -2.989 1.00 0.00 C ATOM 832 C GLY A 56 1.729 -1.016 -3.349 1.00 0.00 C ATOM 833 O GLY A 56 2.175 -2.039 -2.829 1.00 0.00 O ATOM 0 H GLY A 56 2.852 0.648 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.217 0.214 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.592 0.862 -2.334 1.00 0.00 H new ATOM 837 N THR A 57 0.744 -1.030 -4.242 1.00 0.00 N ATOM 838 CA THR A 57 0.117 -2.275 -4.668 1.00 0.00 C ATOM 839 C THR A 57 -0.049 -2.315 -6.183 1.00 0.00 C ATOM 840 O THR A 57 0.362 -1.393 -6.887 1.00 0.00 O ATOM 841 CB THR A 57 -1.261 -2.465 -4.007 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.284 -1.821 -2.728 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.583 -3.943 -3.842 1.00 0.00 C ATOM 0 H THR A 57 0.363 -0.193 -4.684 1.00 0.00 H new ATOM 0 HA THR A 57 0.776 -3.085 -4.355 1.00 0.00 H new ATOM 0 HB THR A 57 -2.015 -2.015 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.422 -2.491 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.561 -4.052 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.594 -4.424 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.825 -4.413 -3.215 1.00 0.00 H new ATOM 851 N SER A 58 -0.655 -3.390 -6.679 1.00 0.00 N ATOM 852 CA SER A 58 -0.872 -3.552 -8.112 1.00 0.00 C ATOM 853 C SER A 58 -2.171 -2.878 -8.543 1.00 0.00 C ATOM 854 O SER A 58 -2.879 -2.286 -7.728 1.00 0.00 O ATOM 855 CB SER A 58 -0.908 -5.037 -8.479 1.00 0.00 C ATOM 856 OG SER A 58 -1.963 -5.703 -7.807 1.00 0.00 O ATOM 0 H SER A 58 -1.004 -4.161 -6.110 1.00 0.00 H new ATOM 0 HA SER A 58 -0.044 -3.076 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.033 -5.146 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.043 -5.502 -8.220 1.00 0.00 H new ATOM 0 HG SER A 58 -1.966 -6.650 -8.060 1.00 0.00 H new ATOM 862 N LYS A 59 -2.479 -2.972 -9.833 1.00 0.00 N ATOM 863 CA LYS A 59 -3.693 -2.374 -10.376 1.00 0.00 C ATOM 864 C LYS A 59 -4.835 -2.450 -9.368 1.00 0.00 C ATOM 865 O LYS A 59 -5.715 -1.589 -9.344 1.00 0.00 O ATOM 866 CB LYS A 59 -4.096 -3.077 -11.674 1.00 0.00 C ATOM 867 CG LYS A 59 -3.065 -2.946 -12.782 1.00 0.00 C ATOM 868 CD LYS A 59 -3.094 -4.145 -13.715 1.00 0.00 C ATOM 869 CE LYS A 59 -1.951 -4.099 -14.717 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.224 -3.145 -15.827 1.00 0.00 N ATOM 0 H LYS A 59 -1.904 -3.457 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.488 -1.325 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.263 -4.134 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.044 -2.666 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.255 -2.036 -13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.071 -2.847 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.031 -5.063 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.045 -4.170 -14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.032 -3.809 -14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.787 -5.096 -15.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.388 -3.079 -16.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.036 -3.482 -16.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.439 -2.207 -15.433 1.00 0.00 H new ATOM 884 N LYS A 60 -4.815 -3.486 -8.536 1.00 0.00 N ATOM 885 CA LYS A 60 -5.847 -3.674 -7.523 1.00 0.00 C ATOM 886 C LYS A 60 -6.043 -2.403 -6.703 1.00 0.00 C ATOM 887 O LYS A 60 -7.055 -1.714 -6.839 1.00 0.00 O ATOM 888 CB LYS A 60 -5.479 -4.838 -6.600 1.00 0.00 C ATOM 889 CG LYS A 60 -5.896 -6.196 -7.137 1.00 0.00 C ATOM 890 CD LYS A 60 -7.380 -6.447 -6.929 1.00 0.00 C ATOM 891 CE LYS A 60 -7.717 -7.926 -7.044 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.135 -8.715 -5.923 1.00 0.00 N ATOM 0 H LYS A 60 -4.095 -4.209 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.783 -3.904 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.401 -4.836 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.947 -4.682 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.662 -6.255 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.321 -6.977 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.678 -6.080 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.952 -5.884 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.800 -8.052 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.343 -8.311 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.653 -9.611 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.134 -8.914 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.211 -8.171 -5.040 1.00 0.00 H new ATOM 906 N LEU A 61 -5.069 -2.097 -5.853 1.00 0.00 N ATOM 907 CA LEU A 61 -5.134 -0.908 -5.011 1.00 0.00 C ATOM 908 C LEU A 61 -4.427 0.269 -5.677 1.00 0.00 C ATOM 909 O LEU A 61 -4.998 1.350 -5.818 1.00 0.00 O ATOM 910 CB LEU A 61 -4.505 -1.190 -3.646 1.00 0.00 C ATOM 911 CG LEU A 61 -3.831 -0.002 -2.959 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.689 1.247 -3.088 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.559 -0.315 -1.495 1.00 0.00 C ATOM 0 H LEU A 61 -4.225 -2.656 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.183 -0.647 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.280 -1.575 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.766 -1.982 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.877 0.184 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.193 2.082 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.832 1.483 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.658 1.072 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.079 0.542 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.500 -0.529 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.903 -1.183 -1.424 1.00 0.00 H new ATOM 925 N ALA A 62 -3.181 0.050 -6.085 1.00 0.00 N ATOM 926 CA ALA A 62 -2.398 1.090 -6.739 1.00 0.00 C ATOM 927 C ALA A 62 -3.291 2.020 -7.553 1.00 0.00 C ATOM 928 O ALA A 62 -3.230 3.241 -7.408 1.00 0.00 O ATOM 929 CB ALA A 62 -1.331 0.468 -7.628 1.00 0.00 C ATOM 0 H ALA A 62 -2.693 -0.839 -5.974 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.910 1.683 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.754 1.257 -8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.667 -0.149 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.807 -0.150 -8.389 1.00 0.00 H new ATOM 935 N LYS A 63 -4.120 1.435 -8.411 1.00 0.00 N ATOM 936 CA LYS A 63 -5.027 2.210 -9.249 1.00 0.00 C ATOM 937 C LYS A 63 -5.963 3.061 -8.396 1.00 0.00 C ATOM 938 O LYS A 63 -6.056 4.275 -8.581 1.00 0.00 O ATOM 939 CB LYS A 63 -5.843 1.280 -10.149 1.00 0.00 C ATOM 940 CG LYS A 63 -6.245 1.910 -11.471 1.00 0.00 C ATOM 941 CD LYS A 63 -5.185 1.693 -12.538 1.00 0.00 C ATOM 942 CE LYS A 63 -5.612 2.277 -13.875 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.540 1.371 -14.606 1.00 0.00 N ATOM 0 H LYS A 63 -4.182 0.426 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.428 2.874 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.263 0.379 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.742 0.969 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.191 1.484 -11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.408 2.979 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.249 2.153 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.994 0.626 -12.650 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.097 3.239 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.730 2.464 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.807 1.806 -15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.068 0.461 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.393 1.212 -14.033 1.00 0.00 H new ATOM 957 N HIS A 64 -6.653 2.416 -7.461 1.00 0.00 N ATOM 958 CA HIS A 64 -7.580 3.115 -6.578 1.00 0.00 C ATOM 959 C HIS A 64 -6.928 4.356 -5.976 1.00 0.00 C ATOM 960 O HIS A 64 -7.521 5.434 -5.959 1.00 0.00 O ATOM 961 CB HIS A 64 -8.055 2.183 -5.463 1.00 0.00 C ATOM 962 CG HIS A 64 -9.442 2.481 -4.983 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.574 2.006 -5.610 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.876 3.210 -3.928 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.645 2.432 -4.964 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.249 3.164 -3.938 1.00 0.00 N ATOM 0 H HIS A 64 -6.588 1.412 -7.295 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.439 3.430 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.016 1.154 -5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.365 2.255 -4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.258 3.731 -3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.670 2.218 -5.230 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.863 3.621 -3.263 1.00 0.00 H new ATOM 974 N ARG A 65 -5.703 4.195 -5.485 1.00 0.00 N ATOM 975 CA ARG A 65 -4.971 5.302 -4.881 1.00 0.00 C ATOM 976 C ARG A 65 -4.624 6.358 -5.926 1.00 0.00 C ATOM 977 O ARG A 65 -4.771 7.556 -5.684 1.00 0.00 O ATOM 978 CB ARG A 65 -3.694 4.792 -4.212 1.00 0.00 C ATOM 979 CG ARG A 65 -3.884 4.397 -2.756 1.00 0.00 C ATOM 980 CD ARG A 65 -2.656 3.689 -2.206 1.00 0.00 C ATOM 981 NE ARG A 65 -2.490 3.915 -0.773 1.00 0.00 N ATOM 982 CZ ARG A 65 -2.133 5.082 -0.249 1.00 0.00 C ATOM 983 NH1 ARG A 65 -1.905 6.124 -1.036 1.00 0.00 N ATOM 984 NH2 ARG A 65 -2.003 5.208 1.066 1.00 0.00 N ATOM 0 H ARG A 65 -5.197 3.309 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.611 5.759 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.322 3.931 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.928 5.566 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.090 5.286 -2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.753 3.745 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.738 2.619 -2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.769 4.040 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.657 3.133 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.004 6.031 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.631 7.019 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.177 4.408 1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.729 6.105 1.468 1.00 0.00 H new ATOM 998 N ALA A 66 -4.163 5.906 -7.087 1.00 0.00 N ATOM 999 CA ALA A 66 -3.797 6.811 -8.169 1.00 0.00 C ATOM 1000 C ALA A 66 -4.922 7.798 -8.463 1.00 0.00 C ATOM 1001 O ALA A 66 -4.702 9.008 -8.511 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.443 6.022 -9.421 1.00 0.00 C ATOM 0 H ALA A 66 -4.034 4.917 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.923 7.380 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.172 6.711 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.602 5.362 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.302 5.427 -9.731 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.126 7.273 -8.660 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.286 8.109 -8.949 1.00 0.00 C ATOM 1010 C ALA A 67 -7.701 8.913 -7.722 1.00 0.00 C ATOM 1011 O ALA A 67 -8.072 10.082 -7.832 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.444 7.253 -9.439 1.00 0.00 C ATOM 0 H ALA A 67 -6.325 6.273 -8.625 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.011 8.812 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.303 7.890 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.149 6.727 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.711 6.528 -8.670 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.638 8.280 -6.555 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.010 8.938 -5.308 1.00 0.00 C ATOM 1020 C GLU A 68 -7.247 10.248 -5.136 1.00 0.00 C ATOM 1021 O GLU A 68 -7.841 11.297 -4.890 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.737 8.016 -4.118 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.918 7.134 -3.749 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.677 6.337 -2.482 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.538 5.864 -2.285 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.628 6.186 -1.686 1.00 0.00 O ATOM 0 H GLU A 68 -7.333 7.313 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.076 9.161 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.880 7.383 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.463 8.622 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.804 7.755 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.126 6.449 -4.571 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.926 10.178 -5.266 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.081 11.358 -5.127 1.00 0.00 C ATOM 1035 C ALA A 69 -5.688 12.556 -5.848 1.00 0.00 C ATOM 1036 O ALA A 69 -6.146 13.507 -5.216 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.684 11.072 -5.657 1.00 0.00 C ATOM 0 H ALA A 69 -5.418 9.317 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.012 11.602 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.064 11.962 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.242 10.250 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.743 10.799 -6.711 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.687 12.504 -7.176 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.239 13.585 -7.984 1.00 0.00 C ATOM 1045 C ALA A 70 -7.493 14.166 -7.340 1.00 0.00 C ATOM 1046 O ALA A 70 -7.493 15.307 -6.878 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.546 13.090 -9.389 1.00 0.00 C ATOM 0 H ALA A 70 -5.310 11.725 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.493 14.377 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.957 13.908 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.630 12.729 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.271 12.278 -9.338 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.560 13.374 -7.313 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.820 13.811 -6.726 1.00 0.00 C ATOM 1055 C ILE A 71 -9.581 14.699 -5.510 1.00 0.00 C ATOM 1056 O ILE A 71 -9.867 15.896 -5.537 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.692 12.612 -6.308 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.913 11.675 -7.497 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -12.023 13.093 -5.751 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.835 10.516 -7.190 1.00 0.00 C ATOM 0 H ILE A 71 -8.577 12.427 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.344 14.382 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.172 12.059 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.326 12.247 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.950 11.285 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.628 12.234 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.846 13.724 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.550 13.667 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.946 9.894 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.414 9.920 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.811 10.897 -6.890 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.053 14.106 -4.444 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.773 14.844 -3.218 1.00 0.00 C ATOM 1074 C ASN A 72 -8.231 16.235 -3.532 1.00 0.00 C ATOM 1075 O ASN A 72 -8.575 17.211 -2.865 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.771 14.076 -2.353 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.450 13.125 -1.387 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.656 13.214 -1.156 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.676 12.209 -0.817 1.00 0.00 N ATOM 0 H ASN A 72 -8.810 13.116 -4.405 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.708 14.954 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.095 13.514 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.161 14.785 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.076 11.542 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.681 12.173 -1.039 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.382 16.317 -4.551 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.794 17.588 -4.954 1.00 0.00 C ATOM 1088 C ILE A 73 -7.779 18.414 -5.775 1.00 0.00 C ATOM 1089 O ILE A 73 -7.801 19.642 -5.686 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.508 17.378 -5.775 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.447 16.670 -4.929 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -4.982 18.711 -6.286 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.466 15.858 -5.746 1.00 0.00 C ATOM 0 H ILE A 73 -7.086 15.518 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.547 18.126 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.741 16.748 -6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.898 17.414 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.943 16.014 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.073 18.546 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.735 19.180 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.761 19.363 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.743 15.384 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.004 15.091 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.943 16.513 -6.443 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.592 17.732 -6.573 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.582 18.401 -7.410 1.00 0.00 C ATOM 1107 C LEU A 74 -10.625 19.114 -6.555 1.00 0.00 C ATOM 1108 O LEU A 74 -11.140 20.167 -6.933 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.266 17.391 -8.333 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.552 17.097 -9.653 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.048 17.021 -9.441 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.073 15.805 -10.265 1.00 0.00 C ATOM 0 H LEU A 74 -8.586 16.716 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.065 19.145 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.383 16.453 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.268 17.756 -8.558 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.759 17.913 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.557 16.811 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.687 17.972 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.820 16.226 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.554 15.612 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.897 14.979 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.142 15.897 -10.454 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.932 18.534 -5.399 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.910 19.114 -4.488 1.00 0.00 C ATOM 1126 C LYS A 75 -11.373 20.393 -3.854 1.00 0.00 C ATOM 1127 O LYS A 75 -11.968 21.461 -3.989 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.280 18.108 -3.396 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.655 16.737 -3.933 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.373 15.643 -2.917 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.528 15.476 -1.943 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.171 14.582 -0.807 1.00 0.00 N ATOM 0 H LYS A 75 -10.517 17.662 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.802 19.362 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.439 18.003 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.115 18.503 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.712 16.726 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.096 16.538 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.194 14.701 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.463 15.882 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.822 16.452 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.391 15.068 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.985 14.494 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.914 13.643 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.364 14.984 -0.289 1.00 0.00 H new