USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 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= 0.495 USER MOD Set 1.2: A 51 THR OG1 : rot -91:sc= 0.0894 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.486 USER MOD Single : A 12 GLN : amide:sc= -0.829 K(o=-0.83,f=-1.5) USER MOD Single : A 15 HIS : no HD1:sc= -3.18 K(o=-3.2,f=-2.3) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 6:sc= 0.159 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.082 (180deg=-0.399) USER MOD Single : A 23 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.2!) USER MOD Single : A 27 TYR OH : rot 100:sc= -0.422 USER MOD Single : A 29 CYS SG : rot 34:sc= 0.116 USER MOD Single : A 32 SER OG : rot -125:sc= 1.92 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 37 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-5.6) USER MOD Single : A 40 THR OG1 : rot 31:sc= 0.553 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 52 CYS SG : rot 0:sc= -1.28 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -100:sc= -2.06! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.53! C(o=-7.5!,f=-8.2!) USER MOD Single : A 72 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.545 7.094 -4.545 1.00 0.00 N ATOM 67 CA LYS A 8 -18.932 6.789 -5.832 1.00 0.00 C ATOM 68 C LYS A 8 -17.441 6.510 -5.672 1.00 0.00 C ATOM 69 O LYS A 8 -16.751 7.183 -4.905 1.00 0.00 O ATOM 70 CB LYS A 8 -19.142 7.948 -6.809 1.00 0.00 C ATOM 71 CG LYS A 8 -20.518 7.959 -7.453 1.00 0.00 C ATOM 72 CD LYS A 8 -20.485 8.608 -8.826 1.00 0.00 C ATOM 73 CE LYS A 8 -20.734 10.106 -8.740 1.00 0.00 C ATOM 74 NZ LYS A 8 -20.368 10.803 -10.004 1.00 0.00 N ATOM 0 HA LYS A 8 -19.411 5.895 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.990 8.889 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.384 7.895 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.888 6.937 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.217 8.497 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.517 8.425 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.239 8.149 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.785 10.287 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.157 10.523 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.552 11.822 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.359 10.652 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.937 10.423 -10.787 1.00 0.00 H new ATOM 88 N THR A 9 -16.948 5.513 -6.401 1.00 0.00 N ATOM 89 CA THR A 9 -15.539 5.146 -6.340 1.00 0.00 C ATOM 90 C THR A 9 -14.656 6.254 -6.903 1.00 0.00 C ATOM 91 O THR A 9 -15.081 7.057 -7.735 1.00 0.00 O ATOM 92 CB THR A 9 -15.264 3.843 -7.115 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.912 4.144 -8.470 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.482 2.932 -7.092 1.00 0.00 C ATOM 0 H THR A 9 -17.504 4.946 -7.040 1.00 0.00 H new ATOM 0 HA THR A 9 -15.298 4.993 -5.288 1.00 0.00 H new ATOM 0 HB THR A 9 -14.435 3.326 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.737 3.311 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.264 2.019 -7.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.729 2.681 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.327 3.443 -7.554 1.00 0.00 H new ATOM 102 N PRO A 10 -13.398 6.302 -6.441 1.00 0.00 N ATOM 103 CA PRO A 10 -12.429 7.308 -6.887 1.00 0.00 C ATOM 104 C PRO A 10 -11.994 7.094 -8.333 1.00 0.00 C ATOM 105 O PRO A 10 -11.341 7.951 -8.927 1.00 0.00 O ATOM 106 CB PRO A 10 -11.246 7.105 -5.937 1.00 0.00 C ATOM 107 CG PRO A 10 -11.353 5.686 -5.495 1.00 0.00 C ATOM 108 CD PRO A 10 -12.824 5.377 -5.449 1.00 0.00 C ATOM 0 HA PRO A 10 -12.846 8.315 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.298 7.292 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.297 7.788 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.836 5.021 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.894 5.546 -4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.024 4.337 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.239 5.545 -4.455 1.00 0.00 H new ATOM 116 N ILE A 11 -12.362 5.946 -8.892 1.00 0.00 N ATOM 117 CA ILE A 11 -12.011 5.621 -10.269 1.00 0.00 C ATOM 118 C ILE A 11 -13.130 6.011 -11.228 1.00 0.00 C ATOM 119 O ILE A 11 -12.877 6.381 -12.375 1.00 0.00 O ATOM 120 CB ILE A 11 -11.709 4.120 -10.434 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.658 3.674 -9.415 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.239 3.827 -11.851 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.278 4.231 -9.687 1.00 0.00 C ATOM 0 H ILE A 11 -12.903 5.226 -8.413 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.114 6.192 -10.509 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.625 3.558 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.976 3.982 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.607 2.585 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.029 2.762 -11.952 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.017 4.112 -12.559 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.333 4.396 -12.059 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.585 3.873 -8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.940 3.901 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.314 5.320 -9.662 1.00 0.00 H new ATOM 135 N GLN A 12 -14.368 5.928 -10.751 1.00 0.00 N ATOM 136 CA GLN A 12 -15.526 6.273 -11.566 1.00 0.00 C ATOM 137 C GLN A 12 -15.782 7.777 -11.538 1.00 0.00 C ATOM 138 O GLN A 12 -16.371 8.334 -12.465 1.00 0.00 O ATOM 139 CB GLN A 12 -16.765 5.524 -11.074 1.00 0.00 C ATOM 140 CG GLN A 12 -16.819 4.074 -11.527 1.00 0.00 C ATOM 141 CD GLN A 12 -16.377 3.895 -12.966 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.062 4.323 -13.895 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.227 3.260 -13.158 1.00 0.00 N ATOM 0 H GLN A 12 -14.594 5.625 -9.804 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.316 5.977 -12.594 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.791 5.557 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.657 6.040 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.184 3.471 -10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.837 3.700 -11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.691 2.922 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.879 3.110 -14.105 1.00 0.00 H new ATOM 152 N VAL A 13 -15.336 8.428 -10.469 1.00 0.00 N ATOM 153 CA VAL A 13 -15.516 9.868 -10.321 1.00 0.00 C ATOM 154 C VAL A 13 -14.452 10.637 -11.095 1.00 0.00 C ATOM 155 O VAL A 13 -14.767 11.429 -11.985 1.00 0.00 O ATOM 156 CB VAL A 13 -15.464 10.290 -8.840 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.520 11.805 -8.715 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.598 9.640 -8.061 1.00 0.00 C ATOM 0 H VAL A 13 -14.848 7.982 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.499 10.108 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.520 9.949 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.482 12.085 -7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.671 12.245 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.447 12.172 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.546 9.949 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.554 9.949 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.507 8.556 -8.123 1.00 0.00 H new ATOM 168 N LEU A 14 -13.191 10.400 -10.752 1.00 0.00 N ATOM 169 CA LEU A 14 -12.079 11.071 -11.415 1.00 0.00 C ATOM 170 C LEU A 14 -12.244 11.031 -12.931 1.00 0.00 C ATOM 171 O LEU A 14 -12.380 12.069 -13.579 1.00 0.00 O ATOM 172 CB LEU A 14 -10.754 10.418 -11.018 1.00 0.00 C ATOM 173 CG LEU A 14 -9.531 11.336 -11.005 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.250 10.518 -10.936 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.526 12.236 -12.232 1.00 0.00 C ATOM 0 H LEU A 14 -12.913 9.748 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.074 12.113 -11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.869 9.985 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.558 9.594 -11.704 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.583 11.966 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.390 11.188 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.251 9.917 -10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.190 9.862 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.649 12.882 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.498 11.623 -13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.428 12.848 -12.238 1.00 0.00 H new ATOM 187 N HIS A 15 -12.234 9.825 -13.490 1.00 0.00 N ATOM 188 CA HIS A 15 -12.386 9.648 -14.930 1.00 0.00 C ATOM 189 C HIS A 15 -13.618 10.389 -15.441 1.00 0.00 C ATOM 190 O HIS A 15 -13.502 11.387 -16.152 1.00 0.00 O ATOM 191 CB HIS A 15 -12.490 8.163 -15.275 1.00 0.00 C ATOM 192 CG HIS A 15 -12.396 7.880 -16.743 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.316 8.255 -17.514 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.255 7.254 -17.581 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.515 7.874 -18.762 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.684 7.263 -18.830 1.00 0.00 N ATOM 0 H HIS A 15 -12.122 8.956 -12.968 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.505 10.065 -15.417 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.697 7.622 -14.758 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.437 7.777 -14.899 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.211 6.827 -17.317 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.837 8.035 -19.587 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.096 6.863 -19.673 1.00 0.00 H new ATOM 204 N GLU A 16 -14.795 9.893 -15.074 1.00 0.00 N ATOM 205 CA GLU A 16 -16.048 10.508 -15.498 1.00 0.00 C ATOM 206 C GLU A 16 -15.943 12.030 -15.472 1.00 0.00 C ATOM 207 O GLU A 16 -16.440 12.713 -16.367 1.00 0.00 O ATOM 208 CB GLU A 16 -17.197 10.049 -14.597 1.00 0.00 C ATOM 209 CG GLU A 16 -17.610 8.605 -14.826 1.00 0.00 C ATOM 210 CD GLU A 16 -16.446 7.723 -15.234 1.00 0.00 C ATOM 211 OE1 GLU A 16 -15.819 8.011 -16.274 1.00 0.00 O ATOM 212 OE2 GLU A 16 -16.164 6.744 -14.512 1.00 0.00 O ATOM 0 H GLU A 16 -14.908 9.068 -14.485 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.250 10.193 -16.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.902 10.173 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.059 10.695 -14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.058 8.210 -13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.377 8.569 -15.600 1.00 0.00 H new ATOM 219 N TYR A 17 -15.293 12.554 -14.439 1.00 0.00 N ATOM 220 CA TYR A 17 -15.125 13.995 -14.293 1.00 0.00 C ATOM 221 C TYR A 17 -14.231 14.554 -15.396 1.00 0.00 C ATOM 222 O TYR A 17 -14.633 15.442 -16.146 1.00 0.00 O ATOM 223 CB TYR A 17 -14.530 14.325 -12.923 1.00 0.00 C ATOM 224 CG TYR A 17 -13.866 15.682 -12.861 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.618 16.849 -12.913 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.486 15.797 -12.751 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.016 18.090 -12.857 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.874 17.034 -12.694 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.643 18.178 -12.748 1.00 0.00 C ATOM 230 OH TYR A 17 -12.039 19.413 -12.691 1.00 0.00 O ATOM 0 H TYR A 17 -14.874 12.003 -13.690 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.108 14.459 -14.376 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.320 14.282 -12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.799 13.560 -12.660 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.693 16.784 -12.999 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.881 14.903 -12.709 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.616 18.987 -12.898 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.800 17.105 -12.608 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.069 19.299 -12.614 1.00 0.00 H new ATOM 240 N GLY A 18 -13.014 14.025 -15.486 1.00 0.00 N ATOM 241 CA GLY A 18 -12.081 14.481 -16.500 1.00 0.00 C ATOM 242 C GLY A 18 -12.762 14.791 -17.818 1.00 0.00 C ATOM 243 O GLY A 18 -12.317 15.662 -18.565 1.00 0.00 O ATOM 0 H GLY A 18 -12.658 13.290 -14.875 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.567 15.373 -16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.320 13.717 -16.659 1.00 0.00 H new ATOM 247 N MET A 19 -13.844 14.076 -18.106 1.00 0.00 N ATOM 248 CA MET A 19 -14.588 14.279 -19.344 1.00 0.00 C ATOM 249 C MET A 19 -15.101 15.712 -19.441 1.00 0.00 C ATOM 250 O MET A 19 -14.950 16.368 -20.471 1.00 0.00 O ATOM 251 CB MET A 19 -15.759 13.299 -19.427 1.00 0.00 C ATOM 252 CG MET A 19 -15.330 11.852 -19.608 1.00 0.00 C ATOM 253 SD MET A 19 -16.728 10.717 -19.690 1.00 0.00 S ATOM 254 CE MET A 19 -15.892 9.139 -19.550 1.00 0.00 C ATOM 0 H MET A 19 -14.226 13.351 -17.499 1.00 0.00 H new ATOM 0 HA MET A 19 -13.912 14.097 -20.179 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.356 13.381 -18.519 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.403 13.585 -20.259 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.741 11.763 -20.521 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.681 11.564 -18.781 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.626 8.334 -19.585 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.189 9.025 -20.375 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.351 9.096 -18.605 1.00 0.00 H new ATOM 264 N LYS A 20 -15.708 16.193 -18.361 1.00 0.00 N ATOM 265 CA LYS A 20 -16.243 17.549 -18.323 1.00 0.00 C ATOM 266 C LYS A 20 -15.146 18.574 -18.591 1.00 0.00 C ATOM 267 O LYS A 20 -15.336 19.515 -19.363 1.00 0.00 O ATOM 268 CB LYS A 20 -16.893 17.825 -16.965 1.00 0.00 C ATOM 269 CG LYS A 20 -18.369 17.472 -16.914 1.00 0.00 C ATOM 270 CD LYS A 20 -18.583 16.031 -16.483 1.00 0.00 C ATOM 271 CE LYS A 20 -18.381 15.861 -14.985 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.834 14.524 -14.512 1.00 0.00 N ATOM 0 H LYS A 20 -15.842 15.663 -17.500 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.997 17.637 -19.105 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.366 17.258 -16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.772 18.881 -16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.880 18.140 -16.220 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.816 17.629 -17.896 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.591 15.715 -16.753 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.891 15.383 -17.020 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.326 15.993 -14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.930 16.639 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.679 14.448 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.846 14.407 -14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.293 13.782 -15.000 1.00 0.00 H new ATOM 286 N THR A 21 -13.996 18.386 -17.951 1.00 0.00 N ATOM 287 CA THR A 21 -12.869 19.293 -18.121 1.00 0.00 C ATOM 288 C THR A 21 -12.052 18.931 -19.356 1.00 0.00 C ATOM 289 O THR A 21 -10.847 19.179 -19.411 1.00 0.00 O ATOM 290 CB THR A 21 -11.946 19.281 -16.887 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.526 17.942 -16.604 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.657 19.862 -15.674 1.00 0.00 C ATOM 0 H THR A 21 -13.821 17.612 -17.310 1.00 0.00 H new ATOM 0 HA THR A 21 -13.285 20.293 -18.245 1.00 0.00 H new ATOM 0 HB THR A 21 -11.074 19.897 -17.106 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.838 17.344 -17.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.986 19.843 -14.815 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.951 20.891 -15.883 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.545 19.269 -15.454 1.00 0.00 H new ATOM 300 N LYS A 22 -12.714 18.342 -20.345 1.00 0.00 N ATOM 301 CA LYS A 22 -12.051 17.946 -21.582 1.00 0.00 C ATOM 302 C LYS A 22 -10.660 17.386 -21.298 1.00 0.00 C ATOM 303 O LYS A 22 -9.771 17.449 -22.146 1.00 0.00 O ATOM 304 CB LYS A 22 -11.947 19.139 -22.534 1.00 0.00 C ATOM 305 CG LYS A 22 -13.291 19.750 -22.892 1.00 0.00 C ATOM 306 CD LYS A 22 -14.120 18.809 -23.751 1.00 0.00 C ATOM 307 CE LYS A 22 -15.226 19.552 -24.484 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.681 20.481 -25.514 1.00 0.00 N ATOM 0 H LYS A 22 -13.711 18.128 -20.314 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.649 17.165 -22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.320 19.904 -22.077 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.447 18.821 -23.449 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.838 19.988 -21.980 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.135 20.688 -23.425 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.474 18.311 -24.474 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.556 18.031 -23.124 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.893 18.833 -24.960 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.823 20.115 -23.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.414 20.680 -26.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.388 21.370 -25.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.860 20.042 -25.978 1.00 0.00 H new ATOM 322 N ASN A 23 -10.481 16.838 -20.100 1.00 0.00 N ATOM 323 CA ASN A 23 -9.198 16.267 -19.706 1.00 0.00 C ATOM 324 C ASN A 23 -9.393 14.926 -19.004 1.00 0.00 C ATOM 325 O ASN A 23 -9.926 14.866 -17.895 1.00 0.00 O ATOM 326 CB ASN A 23 -8.448 17.232 -18.786 1.00 0.00 C ATOM 327 CG ASN A 23 -8.339 18.626 -19.375 1.00 0.00 C ATOM 328 OD1 ASN A 23 -8.094 18.789 -20.571 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.522 19.638 -18.536 1.00 0.00 N ATOM 0 H ASN A 23 -11.207 16.777 -19.386 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.608 16.103 -20.608 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.960 17.286 -17.825 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.448 16.843 -18.593 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.462 20.598 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.723 19.455 -17.553 1.00 0.00 H new ATOM 336 N ILE A 24 -8.957 13.854 -19.657 1.00 0.00 N ATOM 337 CA ILE A 24 -9.082 12.515 -19.095 1.00 0.00 C ATOM 338 C ILE A 24 -7.831 12.128 -18.314 1.00 0.00 C ATOM 339 O ILE A 24 -6.703 12.373 -18.740 1.00 0.00 O ATOM 340 CB ILE A 24 -9.333 11.465 -20.193 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.533 11.870 -21.053 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.558 10.094 -19.574 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.782 12.157 -20.249 1.00 0.00 C ATOM 0 H ILE A 24 -8.514 13.887 -20.575 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.938 12.535 -18.420 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.452 11.413 -20.833 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.272 12.755 -21.633 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.744 11.073 -21.766 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.734 9.363 -20.363 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.677 9.804 -19.001 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.424 10.131 -18.914 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.592 12.438 -20.923 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.067 11.266 -19.690 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.588 12.974 -19.555 1.00 0.00 H new ATOM 355 N PRO A 25 -8.034 11.508 -17.142 1.00 0.00 N ATOM 356 CA PRO A 25 -6.935 11.071 -16.276 1.00 0.00 C ATOM 357 C PRO A 25 -6.157 9.903 -16.872 1.00 0.00 C ATOM 358 O PRO A 25 -6.703 8.817 -17.069 1.00 0.00 O ATOM 359 CB PRO A 25 -7.644 10.641 -14.990 1.00 0.00 C ATOM 360 CG PRO A 25 -9.021 10.272 -15.423 1.00 0.00 C ATOM 361 CD PRO A 25 -9.353 11.184 -16.572 1.00 0.00 C ATOM 0 HA PRO A 25 -6.196 11.858 -16.128 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.137 9.798 -14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.662 11.449 -14.258 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.067 9.227 -15.729 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.733 10.397 -14.607 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.997 10.693 -17.302 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.877 12.079 -16.236 1.00 0.00 H new ATOM 369 N VAL A 26 -4.879 10.132 -17.157 1.00 0.00 N ATOM 370 CA VAL A 26 -4.026 9.097 -17.730 1.00 0.00 C ATOM 371 C VAL A 26 -3.440 8.204 -16.642 1.00 0.00 C ATOM 372 O VAL A 26 -3.182 8.656 -15.526 1.00 0.00 O ATOM 373 CB VAL A 26 -2.875 9.709 -18.551 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.413 10.714 -19.558 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.852 10.359 -17.631 1.00 0.00 C ATOM 0 H VAL A 26 -4.411 11.025 -17.001 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.654 8.498 -18.389 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.379 8.910 -19.101 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.586 11.136 -20.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.104 10.215 -20.237 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.935 11.513 -19.031 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.046 10.786 -18.227 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.333 11.148 -17.052 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.444 9.609 -16.953 1.00 0.00 H new ATOM 385 N TYR A 27 -3.233 6.935 -16.974 1.00 0.00 N ATOM 386 CA TYR A 27 -2.679 5.977 -16.025 1.00 0.00 C ATOM 387 C TYR A 27 -1.556 5.165 -16.663 1.00 0.00 C ATOM 388 O TYR A 27 -1.764 4.476 -17.661 1.00 0.00 O ATOM 389 CB TYR A 27 -3.775 5.040 -15.515 1.00 0.00 C ATOM 390 CG TYR A 27 -4.885 5.752 -14.775 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.820 6.521 -15.457 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.998 5.655 -13.393 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.834 7.174 -14.784 1.00 0.00 C ATOM 394 CE2 TYR A 27 -6.011 6.303 -12.713 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.926 7.062 -13.412 1.00 0.00 C ATOM 396 OH TYR A 27 -7.936 7.709 -12.739 1.00 0.00 O ATOM 0 H TYR A 27 -3.441 6.546 -17.894 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.267 6.535 -15.184 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.202 4.500 -16.360 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.328 4.297 -14.855 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.753 6.610 -16.531 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.282 5.063 -12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.551 7.769 -15.329 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.086 6.216 -11.639 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.654 7.073 -12.536 1.00 0.00 H new ATOM 406 N GLU A 28 -0.365 5.252 -16.077 1.00 0.00 N ATOM 407 CA GLU A 28 0.791 4.525 -16.588 1.00 0.00 C ATOM 408 C GLU A 28 1.550 3.843 -15.454 1.00 0.00 C ATOM 409 O GLU A 28 1.583 4.341 -14.328 1.00 0.00 O ATOM 410 CB GLU A 28 1.725 5.474 -17.342 1.00 0.00 C ATOM 411 CG GLU A 28 1.438 5.555 -18.832 1.00 0.00 C ATOM 412 CD GLU A 28 0.353 6.561 -19.164 1.00 0.00 C ATOM 413 OE1 GLU A 28 0.139 7.489 -18.355 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.281 6.422 -20.230 1.00 0.00 O ATOM 0 H GLU A 28 -0.176 5.818 -15.250 1.00 0.00 H new ATOM 0 HA GLU A 28 0.431 3.758 -17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.642 6.471 -16.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.755 5.148 -17.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.352 5.825 -19.360 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.139 4.571 -19.195 1.00 0.00 H new ATOM 421 N CYS A 29 2.156 2.701 -15.759 1.00 0.00 N ATOM 422 CA CYS A 29 2.913 1.948 -14.765 1.00 0.00 C ATOM 423 C CYS A 29 4.405 2.245 -14.879 1.00 0.00 C ATOM 424 O CYS A 29 5.012 2.028 -15.927 1.00 0.00 O ATOM 425 CB CYS A 29 2.665 0.449 -14.932 1.00 0.00 C ATOM 426 SG CYS A 29 3.073 -0.188 -16.575 1.00 0.00 S ATOM 0 H CYS A 29 2.138 2.276 -16.686 1.00 0.00 H new ATOM 0 HA CYS A 29 2.574 2.256 -13.776 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.252 -0.091 -14.189 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.616 0.240 -14.723 1.00 0.00 H new ATOM 0 HG CYS A 29 4.088 0.468 -17.055 1.00 0.00 H new ATOM 432 N GLU A 30 4.989 2.744 -13.793 1.00 0.00 N ATOM 433 CA GLU A 30 6.409 3.072 -13.773 1.00 0.00 C ATOM 434 C GLU A 30 7.234 1.893 -13.266 1.00 0.00 C ATOM 435 O GLU A 30 8.101 1.379 -13.973 1.00 0.00 O ATOM 436 CB GLU A 30 6.659 4.299 -12.893 1.00 0.00 C ATOM 437 CG GLU A 30 6.293 5.613 -13.563 1.00 0.00 C ATOM 438 CD GLU A 30 7.355 6.088 -14.535 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.417 5.545 -15.658 1.00 0.00 O ATOM 440 OE2 GLU A 30 8.123 7.004 -14.173 1.00 0.00 O ATOM 0 H GLU A 30 4.500 2.929 -12.917 1.00 0.00 H new ATOM 0 HA GLU A 30 6.718 3.296 -14.794 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.085 4.198 -11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.712 4.325 -12.611 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.348 5.495 -14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.138 6.375 -12.799 1.00 0.00 H new ATOM 447 N ARG A 31 6.957 1.470 -12.037 1.00 0.00 N ATOM 448 CA ARG A 31 7.674 0.353 -11.434 1.00 0.00 C ATOM 449 C ARG A 31 6.747 -0.842 -11.233 1.00 0.00 C ATOM 450 O ARG A 31 5.659 -0.710 -10.672 1.00 0.00 O ATOM 451 CB ARG A 31 8.281 0.772 -10.094 1.00 0.00 C ATOM 452 CG ARG A 31 9.486 1.688 -10.231 1.00 0.00 C ATOM 453 CD ARG A 31 10.296 1.740 -8.945 1.00 0.00 C ATOM 454 NE ARG A 31 11.309 0.689 -8.894 1.00 0.00 N ATOM 455 CZ ARG A 31 11.928 0.318 -7.779 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.638 0.909 -6.628 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.838 -0.647 -7.813 1.00 0.00 N ATOM 0 H ARG A 31 6.241 1.884 -11.440 1.00 0.00 H new ATOM 0 HA ARG A 31 8.476 0.060 -12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.518 1.276 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.575 -0.121 -9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.119 1.339 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.153 2.692 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.779 2.713 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.627 1.640 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 31 11.555 0.214 -9.762 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.938 1.650 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.115 0.622 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.063 -1.105 -8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.313 -0.931 -6.956 1.00 0.00 H new ATOM 471 N SER A 32 7.186 -2.009 -11.694 1.00 0.00 N ATOM 472 CA SER A 32 6.394 -3.227 -11.569 1.00 0.00 C ATOM 473 C SER A 32 7.253 -4.384 -11.068 1.00 0.00 C ATOM 474 O SER A 32 7.973 -5.017 -11.840 1.00 0.00 O ATOM 475 CB SER A 32 5.762 -3.591 -12.914 1.00 0.00 C ATOM 476 OG SER A 32 5.017 -2.505 -13.438 1.00 0.00 O ATOM 0 H SER A 32 8.086 -2.137 -12.157 1.00 0.00 H new ATOM 0 HA SER A 32 5.603 -3.043 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.542 -3.876 -13.621 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.111 -4.457 -12.791 1.00 0.00 H new ATOM 0 HG SER A 32 4.101 -2.797 -13.625 1.00 0.00 H new ATOM 482 N ASP A 33 7.170 -4.655 -9.770 1.00 0.00 N ATOM 483 CA ASP A 33 7.939 -5.736 -9.164 1.00 0.00 C ATOM 484 C ASP A 33 7.023 -6.879 -8.735 1.00 0.00 C ATOM 485 O ASP A 33 6.030 -6.665 -8.040 1.00 0.00 O ATOM 486 CB ASP A 33 8.727 -5.218 -7.960 1.00 0.00 C ATOM 487 CG ASP A 33 10.056 -4.607 -8.359 1.00 0.00 C ATOM 488 OD1 ASP A 33 11.013 -5.372 -8.600 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.138 -3.363 -8.430 1.00 0.00 O ATOM 0 H ASP A 33 6.578 -4.141 -9.117 1.00 0.00 H new ATOM 0 HA ASP A 33 8.638 -6.114 -9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.131 -4.473 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.902 -6.038 -7.263 1.00 0.00 H new ATOM 494 N VAL A 34 7.365 -8.093 -9.154 1.00 0.00 N ATOM 495 CA VAL A 34 6.574 -9.270 -8.813 1.00 0.00 C ATOM 496 C VAL A 34 7.371 -10.233 -7.941 1.00 0.00 C ATOM 497 O VAL A 34 8.259 -10.934 -8.425 1.00 0.00 O ATOM 498 CB VAL A 34 6.099 -10.012 -10.076 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.081 -9.175 -10.836 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.283 -10.363 -10.965 1.00 0.00 C ATOM 0 H VAL A 34 8.184 -8.287 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 34 5.704 -8.917 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 34 5.616 -10.940 -9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.757 -9.715 -11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.220 -8.980 -10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.535 -8.229 -11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.929 -10.887 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.797 -9.449 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.973 -11.004 -10.416 1.00 0.00 H new ATOM 510 N GLN A 35 7.047 -10.263 -6.652 1.00 0.00 N ATOM 511 CA GLN A 35 7.733 -11.141 -5.712 1.00 0.00 C ATOM 512 C GLN A 35 6.733 -11.974 -4.917 1.00 0.00 C ATOM 513 O GLN A 35 7.038 -13.091 -4.497 1.00 0.00 O ATOM 514 CB GLN A 35 8.604 -10.321 -4.758 1.00 0.00 C ATOM 515 CG GLN A 35 9.809 -9.684 -5.431 1.00 0.00 C ATOM 516 CD GLN A 35 10.675 -8.906 -4.460 1.00 0.00 C ATOM 517 OE1 GLN A 35 11.029 -9.402 -3.390 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.023 -7.678 -4.829 1.00 0.00 N ATOM 0 H GLN A 35 6.314 -9.689 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 35 8.369 -11.817 -6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.995 -9.538 -4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.948 -10.965 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.409 -10.461 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.468 -9.017 -6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.707 -7.306 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.606 -7.107 -4.217 1.00 0.00 H new ATOM 527 N ILE A 36 5.541 -11.425 -4.714 1.00 0.00 N ATOM 528 CA ILE A 36 4.497 -12.118 -3.970 1.00 0.00 C ATOM 529 C ILE A 36 3.174 -12.095 -4.727 1.00 0.00 C ATOM 530 O ILE A 36 3.033 -11.395 -5.731 1.00 0.00 O ATOM 531 CB ILE A 36 4.289 -11.495 -2.577 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.819 -10.045 -2.708 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.575 -11.569 -1.766 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.939 -9.070 -2.996 1.00 0.00 C ATOM 0 H ILE A 36 5.274 -10.501 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 36 4.827 -13.150 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 36 3.519 -12.061 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.079 -9.982 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.319 -9.749 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.412 -11.125 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.871 -12.611 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.364 -11.024 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.532 -8.062 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.668 -9.104 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.425 -9.341 -3.933 1.00 0.00 H new ATOM 546 N HIS A 37 2.205 -12.863 -4.239 1.00 0.00 N ATOM 547 CA HIS A 37 0.891 -12.929 -4.869 1.00 0.00 C ATOM 548 C HIS A 37 0.464 -11.556 -5.379 1.00 0.00 C ATOM 549 O HIS A 37 0.104 -11.400 -6.546 1.00 0.00 O ATOM 550 CB HIS A 37 -0.145 -13.464 -3.880 1.00 0.00 C ATOM 551 CG HIS A 37 -0.289 -12.624 -2.649 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.769 -12.319 -1.819 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.375 -12.021 -2.111 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.339 -11.566 -0.821 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.958 -11.370 -0.975 1.00 0.00 N ATOM 0 H HIS A 37 2.305 -13.448 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 37 0.956 -13.609 -5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.112 -13.530 -4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.133 -14.477 -3.588 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.382 -12.047 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.945 -11.177 -0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.553 -10.824 -0.352 1.00 0.00 H new ATOM 563 N VAL A 38 0.504 -10.563 -4.496 1.00 0.00 N ATOM 564 CA VAL A 38 0.122 -9.203 -4.857 1.00 0.00 C ATOM 565 C VAL A 38 1.349 -8.331 -5.092 1.00 0.00 C ATOM 566 O VAL A 38 1.982 -7.841 -4.156 1.00 0.00 O ATOM 567 CB VAL A 38 -0.752 -8.558 -3.764 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.017 -8.457 -2.456 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.239 -7.188 -4.213 1.00 0.00 C ATOM 0 H VAL A 38 0.797 -10.675 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.453 -9.270 -5.780 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.623 -9.192 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.616 -7.999 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.312 -9.454 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.907 -7.845 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.855 -6.746 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.382 -6.543 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.829 -7.292 -5.123 1.00 0.00 H new ATOM 579 N PRO A 39 1.696 -8.130 -6.372 1.00 0.00 N ATOM 580 CA PRO A 39 2.851 -7.315 -6.761 1.00 0.00 C ATOM 581 C PRO A 39 2.632 -5.831 -6.485 1.00 0.00 C ATOM 582 O PRO A 39 1.598 -5.435 -5.946 1.00 0.00 O ATOM 583 CB PRO A 39 2.972 -7.567 -8.265 1.00 0.00 C ATOM 584 CG PRO A 39 1.598 -7.947 -8.698 1.00 0.00 C ATOM 585 CD PRO A 39 0.988 -8.683 -7.538 1.00 0.00 C ATOM 0 HA PRO A 39 3.746 -7.580 -6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.320 -6.677 -8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.688 -8.361 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.011 -7.065 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.629 -8.577 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.087 -8.512 -7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.135 -9.760 -7.624 1.00 0.00 H new ATOM 593 N THR A 40 3.612 -5.014 -6.858 1.00 0.00 N ATOM 594 CA THR A 40 3.526 -3.574 -6.650 1.00 0.00 C ATOM 595 C THR A 40 3.678 -2.818 -7.965 1.00 0.00 C ATOM 596 O THR A 40 4.695 -2.940 -8.649 1.00 0.00 O ATOM 597 CB THR A 40 4.602 -3.084 -5.663 1.00 0.00 C ATOM 598 OG1 THR A 40 5.907 -3.362 -6.182 1.00 0.00 O ATOM 599 CG2 THR A 40 4.437 -3.753 -4.306 1.00 0.00 C ATOM 0 H THR A 40 4.474 -5.325 -7.306 1.00 0.00 H new ATOM 0 HA THR A 40 2.540 -3.374 -6.231 1.00 0.00 H new ATOM 0 HB THR A 40 4.484 -2.008 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.885 -3.321 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.208 -3.391 -3.626 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.454 -3.515 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.531 -4.833 -4.419 1.00 0.00 H new ATOM 607 N PHE A 41 2.662 -2.037 -8.314 1.00 0.00 N ATOM 608 CA PHE A 41 2.682 -1.261 -9.549 1.00 0.00 C ATOM 609 C PHE A 41 2.466 0.222 -9.263 1.00 0.00 C ATOM 610 O PHE A 41 1.526 0.602 -8.564 1.00 0.00 O ATOM 611 CB PHE A 41 1.607 -1.768 -10.513 1.00 0.00 C ATOM 612 CG PHE A 41 1.965 -3.065 -11.181 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.899 -4.260 -10.484 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.368 -3.088 -12.507 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.227 -5.455 -11.097 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.697 -4.280 -13.125 1.00 0.00 C ATOM 617 CZ PHE A 41 2.628 -5.465 -12.418 1.00 0.00 C ATOM 0 H PHE A 41 1.814 -1.924 -7.759 1.00 0.00 H new ATOM 0 HA PHE A 41 3.662 -1.385 -10.011 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.672 -1.895 -9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.430 -1.012 -11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.588 -4.258 -9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.426 -2.164 -13.064 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.170 -6.380 -10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.008 -4.285 -14.159 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.887 -6.397 -12.898 1.00 0.00 H new ATOM 627 N THR A 42 3.345 1.058 -9.809 1.00 0.00 N ATOM 628 CA THR A 42 3.253 2.499 -9.612 1.00 0.00 C ATOM 629 C THR A 42 2.436 3.154 -10.720 1.00 0.00 C ATOM 630 O THR A 42 2.947 3.418 -11.808 1.00 0.00 O ATOM 631 CB THR A 42 4.648 3.150 -9.565 1.00 0.00 C ATOM 632 OG1 THR A 42 5.470 2.477 -8.604 1.00 0.00 O ATOM 633 CG2 THR A 42 4.545 4.625 -9.207 1.00 0.00 C ATOM 0 H THR A 42 4.128 0.761 -10.391 1.00 0.00 H new ATOM 0 HA THR A 42 2.755 2.656 -8.655 1.00 0.00 H new ATOM 0 HB THR A 42 5.099 3.063 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.356 2.895 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.543 5.063 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.943 5.140 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.076 4.730 -8.229 1.00 0.00 H new ATOM 641 N PHE A 43 1.164 3.414 -10.436 1.00 0.00 N ATOM 642 CA PHE A 43 0.276 4.039 -11.410 1.00 0.00 C ATOM 643 C PHE A 43 0.225 5.551 -11.207 1.00 0.00 C ATOM 644 O PHE A 43 -0.179 6.033 -10.149 1.00 0.00 O ATOM 645 CB PHE A 43 -1.132 3.450 -11.299 1.00 0.00 C ATOM 646 CG PHE A 43 -1.314 2.182 -12.083 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.003 0.954 -11.522 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.797 2.218 -13.381 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.170 -0.215 -12.240 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.966 1.053 -14.105 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.652 -0.165 -13.534 1.00 0.00 C ATOM 0 H PHE A 43 0.725 3.202 -9.540 1.00 0.00 H new ATOM 0 HA PHE A 43 0.669 3.837 -12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.354 3.254 -10.250 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.855 4.189 -11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.625 0.910 -10.511 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.044 3.167 -13.832 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.924 -1.166 -11.791 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.343 1.095 -15.116 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.783 -1.077 -14.098 1.00 0.00 H new ATOM 661 N ARG A 44 0.637 6.293 -12.230 1.00 0.00 N ATOM 662 CA ARG A 44 0.640 7.749 -12.165 1.00 0.00 C ATOM 663 C ARG A 44 -0.636 8.323 -12.774 1.00 0.00 C ATOM 664 O ARG A 44 -1.206 7.750 -13.703 1.00 0.00 O ATOM 665 CB ARG A 44 1.862 8.311 -12.892 1.00 0.00 C ATOM 666 CG ARG A 44 2.190 9.746 -12.514 1.00 0.00 C ATOM 667 CD ARG A 44 3.622 10.105 -12.879 1.00 0.00 C ATOM 668 NE ARG A 44 4.004 11.420 -12.369 1.00 0.00 N ATOM 669 CZ ARG A 44 5.127 12.042 -12.708 1.00 0.00 C ATOM 670 NH1 ARG A 44 5.975 11.472 -13.554 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.404 13.236 -12.202 1.00 0.00 N ATOM 0 H ARG A 44 0.973 5.909 -13.113 1.00 0.00 H new ATOM 0 HA ARG A 44 0.685 8.040 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.725 7.681 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.691 8.258 -13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.503 10.423 -13.022 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.041 9.885 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.298 9.350 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.734 10.090 -13.963 1.00 0.00 H new ATOM 0 HE ARG A 44 3.373 11.886 -11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.765 10.554 -13.946 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.837 11.952 -13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.754 13.678 -11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.267 13.713 -12.463 1.00 0.00 H new ATOM 685 N VAL A 45 -1.080 9.458 -12.243 1.00 0.00 N ATOM 686 CA VAL A 45 -2.288 10.110 -12.734 1.00 0.00 C ATOM 687 C VAL A 45 -2.033 11.582 -13.040 1.00 0.00 C ATOM 688 O VAL A 45 -1.624 12.348 -12.166 1.00 0.00 O ATOM 689 CB VAL A 45 -3.439 10.001 -11.716 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.319 11.085 -10.656 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.784 10.081 -12.422 1.00 0.00 C ATOM 0 H VAL A 45 -0.621 9.945 -11.473 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.574 9.595 -13.651 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.372 9.033 -11.220 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.141 10.992 -9.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.371 10.976 -10.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.360 12.065 -11.132 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.586 10.002 -11.688 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.864 11.034 -12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.868 9.264 -13.139 1.00 0.00 H new ATOM 701 N THR A 46 -2.278 11.973 -14.287 1.00 0.00 N ATOM 702 CA THR A 46 -2.074 13.353 -14.709 1.00 0.00 C ATOM 703 C THR A 46 -3.370 13.967 -15.225 1.00 0.00 C ATOM 704 O THR A 46 -3.887 13.565 -16.268 1.00 0.00 O ATOM 705 CB THR A 46 -0.999 13.451 -15.808 1.00 0.00 C ATOM 706 OG1 THR A 46 0.266 13.018 -15.296 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.881 14.878 -16.323 1.00 0.00 C ATOM 0 H THR A 46 -2.618 11.353 -15.022 1.00 0.00 H new ATOM 0 HA THR A 46 -1.738 13.906 -13.832 1.00 0.00 H new ATOM 0 HB THR A 46 -1.296 12.806 -16.635 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.944 13.082 -16.001 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.116 14.923 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.838 15.195 -16.738 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.605 15.539 -15.502 1.00 0.00 H new ATOM 715 N VAL A 47 -3.890 14.945 -14.490 1.00 0.00 N ATOM 716 CA VAL A 47 -5.126 15.616 -14.876 1.00 0.00 C ATOM 717 C VAL A 47 -4.920 17.123 -14.991 1.00 0.00 C ATOM 718 O VAL A 47 -4.854 17.829 -13.986 1.00 0.00 O ATOM 719 CB VAL A 47 -6.254 15.339 -13.864 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.472 16.195 -14.176 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.616 13.862 -13.862 1.00 0.00 C ATOM 0 H VAL A 47 -3.475 15.290 -13.625 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.414 15.216 -15.848 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.899 15.604 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.259 15.986 -13.451 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.199 17.249 -14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.832 15.964 -15.179 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.414 13.684 -13.142 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.952 13.569 -14.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.741 13.273 -13.587 1.00 0.00 H new ATOM 731 N GLY A 48 -4.820 17.608 -16.225 1.00 0.00 N ATOM 732 CA GLY A 48 -4.623 19.028 -16.449 1.00 0.00 C ATOM 733 C GLY A 48 -3.274 19.512 -15.953 1.00 0.00 C ATOM 734 O GLY A 48 -2.290 19.490 -16.692 1.00 0.00 O ATOM 0 H GLY A 48 -4.872 17.043 -17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.712 19.240 -17.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.413 19.585 -15.945 1.00 0.00 H new ATOM 738 N ASP A 49 -3.229 19.951 -14.701 1.00 0.00 N ATOM 739 CA ASP A 49 -1.991 20.443 -14.107 1.00 0.00 C ATOM 740 C ASP A 49 -1.589 19.594 -12.905 1.00 0.00 C ATOM 741 O ASP A 49 -0.418 19.551 -12.527 1.00 0.00 O ATOM 742 CB ASP A 49 -2.148 21.905 -13.685 1.00 0.00 C ATOM 743 CG ASP A 49 -1.888 22.868 -14.826 1.00 0.00 C ATOM 744 OD1 ASP A 49 -2.163 22.500 -15.987 1.00 0.00 O ATOM 745 OD2 ASP A 49 -1.409 23.990 -14.559 1.00 0.00 O ATOM 0 H ASP A 49 -4.035 19.977 -14.077 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.204 20.372 -14.858 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.156 22.063 -13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.460 22.120 -12.868 1.00 0.00 H new ATOM 750 N ILE A 50 -2.568 18.922 -12.309 1.00 0.00 N ATOM 751 CA ILE A 50 -2.316 18.074 -11.150 1.00 0.00 C ATOM 752 C ILE A 50 -1.788 16.708 -11.573 1.00 0.00 C ATOM 753 O ILE A 50 -2.364 16.047 -12.438 1.00 0.00 O ATOM 754 CB ILE A 50 -3.590 17.882 -10.306 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.276 19.228 -10.064 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.253 17.207 -8.985 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.774 19.119 -9.883 1.00 0.00 C ATOM 0 H ILE A 50 -3.542 18.948 -12.609 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.563 18.580 -10.546 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.278 17.239 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.844 19.693 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.067 19.890 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.163 17.078 -8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.805 16.232 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.549 17.826 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.193 20.111 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.218 18.684 -10.778 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.991 18.484 -9.024 1.00 0.00 H new ATOM 769 N THR A 51 -0.688 16.287 -10.955 1.00 0.00 N ATOM 770 CA THR A 51 -0.082 14.999 -11.266 1.00 0.00 C ATOM 771 C THR A 51 0.362 14.280 -9.998 1.00 0.00 C ATOM 772 O THR A 51 1.214 14.774 -9.259 1.00 0.00 O ATOM 773 CB THR A 51 1.130 15.160 -12.203 1.00 0.00 C ATOM 774 OG1 THR A 51 0.686 15.363 -13.549 1.00 0.00 O ATOM 775 CG2 THR A 51 2.029 13.934 -12.140 1.00 0.00 C ATOM 0 H THR A 51 -0.199 16.820 -10.236 1.00 0.00 H new ATOM 0 HA THR A 51 -0.844 14.404 -11.769 1.00 0.00 H new ATOM 0 HB THR A 51 1.702 16.028 -11.875 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.611 14.498 -14.003 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.878 14.071 -12.810 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.389 13.799 -11.120 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.464 13.053 -12.445 1.00 0.00 H new ATOM 783 N CYS A 52 -0.220 13.111 -9.752 1.00 0.00 N ATOM 784 CA CYS A 52 0.117 12.323 -8.571 1.00 0.00 C ATOM 785 C CYS A 52 0.460 10.888 -8.956 1.00 0.00 C ATOM 786 O CYS A 52 0.372 10.507 -10.124 1.00 0.00 O ATOM 787 CB CYS A 52 -1.045 12.334 -7.577 1.00 0.00 C ATOM 788 SG CYS A 52 -1.512 13.984 -7.006 1.00 0.00 S ATOM 0 H CYS A 52 -0.927 12.688 -10.354 1.00 0.00 H new ATOM 0 HA CYS A 52 0.991 12.773 -8.101 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.911 11.863 -8.042 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.776 11.725 -6.714 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.745 14.871 -7.568 1.00 0.00 H new ATOM 794 N THR A 53 0.854 10.093 -7.965 1.00 0.00 N ATOM 795 CA THR A 53 1.214 8.700 -8.199 1.00 0.00 C ATOM 796 C THR A 53 0.657 7.797 -7.104 1.00 0.00 C ATOM 797 O THR A 53 0.448 8.233 -5.973 1.00 0.00 O ATOM 798 CB THR A 53 2.742 8.519 -8.270 1.00 0.00 C ATOM 799 OG1 THR A 53 3.312 8.646 -6.963 1.00 0.00 O ATOM 800 CG2 THR A 53 3.366 9.547 -9.203 1.00 0.00 C ATOM 0 H THR A 53 0.932 10.391 -6.993 1.00 0.00 H new ATOM 0 HA THR A 53 0.777 8.417 -9.157 1.00 0.00 H new ATOM 0 HB THR A 53 2.950 7.523 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.283 8.528 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.445 9.400 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.952 9.428 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.148 10.550 -8.837 1.00 0.00 H new ATOM 808 N GLY A 54 0.420 6.535 -7.448 1.00 0.00 N ATOM 809 CA GLY A 54 -0.110 5.590 -6.483 1.00 0.00 C ATOM 810 C GLY A 54 0.739 4.339 -6.371 1.00 0.00 C ATOM 811 O GLY A 54 0.404 3.302 -6.943 1.00 0.00 O ATOM 0 H GLY A 54 0.586 6.150 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.175 6.070 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.124 5.313 -6.770 1.00 0.00 H new ATOM 815 N GLU A 55 1.840 4.436 -5.632 1.00 0.00 N ATOM 816 CA GLU A 55 2.739 3.303 -5.450 1.00 0.00 C ATOM 817 C GLU A 55 2.438 2.574 -4.143 1.00 0.00 C ATOM 818 O GLU A 55 2.054 3.190 -3.150 1.00 0.00 O ATOM 819 CB GLU A 55 4.195 3.772 -5.461 1.00 0.00 C ATOM 820 CG GLU A 55 5.188 2.685 -5.084 1.00 0.00 C ATOM 821 CD GLU A 55 6.612 3.199 -5.002 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.800 4.361 -4.584 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.539 2.440 -5.355 1.00 0.00 O ATOM 0 H GLU A 55 2.130 5.287 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 55 2.581 2.611 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.440 4.147 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.304 4.608 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.904 2.257 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.137 1.881 -5.819 1.00 0.00 H new ATOM 830 N GLY A 56 2.615 1.256 -4.153 1.00 0.00 N ATOM 831 CA GLY A 56 2.357 0.464 -2.965 1.00 0.00 C ATOM 832 C GLY A 56 1.811 -0.911 -3.292 1.00 0.00 C ATOM 833 O GLY A 56 2.271 -1.916 -2.750 1.00 0.00 O ATOM 0 H GLY A 56 2.932 0.723 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.280 0.359 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.647 0.991 -2.328 1.00 0.00 H new ATOM 837 N THR A 57 0.822 -0.958 -4.180 1.00 0.00 N ATOM 838 CA THR A 57 0.210 -2.219 -4.576 1.00 0.00 C ATOM 839 C THR A 57 0.042 -2.298 -6.089 1.00 0.00 C ATOM 840 O THR A 57 0.444 -1.389 -6.816 1.00 0.00 O ATOM 841 CB THR A 57 -1.165 -2.411 -3.908 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.194 -1.736 -2.645 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.467 -3.888 -3.707 1.00 0.00 C ATOM 0 H THR A 57 0.428 -0.136 -4.638 1.00 0.00 H new ATOM 0 HA THR A 57 0.880 -3.012 -4.246 1.00 0.00 H new ATOM 0 HB THR A 57 -1.926 -1.987 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.049 -2.384 -1.924 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.443 -3.999 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.473 -4.393 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.702 -4.332 -3.070 1.00 0.00 H new ATOM 851 N SER A 58 -0.554 -3.389 -6.558 1.00 0.00 N ATOM 852 CA SER A 58 -0.773 -3.587 -7.987 1.00 0.00 C ATOM 853 C SER A 58 -2.074 -2.928 -8.434 1.00 0.00 C ATOM 854 O SER A 58 -2.781 -2.317 -7.633 1.00 0.00 O ATOM 855 CB SER A 58 -0.804 -5.080 -8.317 1.00 0.00 C ATOM 856 OG SER A 58 -1.972 -5.693 -7.798 1.00 0.00 O ATOM 0 H SER A 58 -0.894 -4.150 -5.970 1.00 0.00 H new ATOM 0 HA SER A 58 0.053 -3.121 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.767 -5.218 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.080 -5.566 -7.903 1.00 0.00 H new ATOM 0 HG SER A 58 -1.969 -6.647 -8.024 1.00 0.00 H new ATOM 862 N LYS A 59 -2.384 -3.057 -9.719 1.00 0.00 N ATOM 863 CA LYS A 59 -3.600 -2.477 -10.276 1.00 0.00 C ATOM 864 C LYS A 59 -4.743 -2.538 -9.268 1.00 0.00 C ATOM 865 O LYS A 59 -5.634 -1.688 -9.271 1.00 0.00 O ATOM 866 CB LYS A 59 -3.998 -3.209 -11.559 1.00 0.00 C ATOM 867 CG LYS A 59 -2.979 -3.076 -12.677 1.00 0.00 C ATOM 868 CD LYS A 59 -2.979 -4.298 -13.580 1.00 0.00 C ATOM 869 CE LYS A 59 -1.814 -4.268 -14.558 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.039 -5.176 -15.716 1.00 0.00 N ATOM 0 H LYS A 59 -1.809 -3.559 -10.395 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.400 -1.431 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.142 -4.266 -11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.957 -2.823 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.199 -2.186 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.986 -2.938 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.922 -5.201 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.918 -4.344 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.668 -3.250 -14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.899 -4.558 -14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.223 -5.127 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.153 -6.152 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.898 -4.884 -16.224 1.00 0.00 H new ATOM 884 N LYS A 60 -4.710 -3.546 -8.403 1.00 0.00 N ATOM 885 CA LYS A 60 -5.741 -3.717 -7.387 1.00 0.00 C ATOM 886 C LYS A 60 -5.947 -2.428 -6.598 1.00 0.00 C ATOM 887 O LYS A 60 -6.964 -1.750 -6.750 1.00 0.00 O ATOM 888 CB LYS A 60 -5.365 -4.855 -6.435 1.00 0.00 C ATOM 889 CG LYS A 60 -5.663 -6.237 -6.991 1.00 0.00 C ATOM 890 CD LYS A 60 -5.601 -7.299 -5.906 1.00 0.00 C ATOM 891 CE LYS A 60 -6.862 -7.302 -5.056 1.00 0.00 C ATOM 892 NZ LYS A 60 -6.872 -8.428 -4.082 1.00 0.00 N ATOM 0 H LYS A 60 -3.979 -4.258 -8.386 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.674 -3.967 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.302 -4.787 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.905 -4.726 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.652 -6.241 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.947 -6.476 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.466 -8.280 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.733 -7.121 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.940 -6.357 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.736 -7.374 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.748 -8.395 -3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.823 -9.331 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.052 -8.346 -3.448 1.00 0.00 H new ATOM 906 N LEU A 61 -4.975 -2.093 -5.756 1.00 0.00 N ATOM 907 CA LEU A 61 -5.048 -0.884 -4.945 1.00 0.00 C ATOM 908 C LEU A 61 -4.347 0.280 -5.637 1.00 0.00 C ATOM 909 O LEU A 61 -4.924 1.354 -5.805 1.00 0.00 O ATOM 910 CB LEU A 61 -4.420 -1.128 -3.572 1.00 0.00 C ATOM 911 CG LEU A 61 -3.760 0.082 -2.910 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.666 1.300 -3.001 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.417 -0.223 -1.460 1.00 0.00 C ATOM 0 H LEU A 61 -4.127 -2.643 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.099 -0.626 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.193 -1.506 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.672 -1.915 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.834 0.302 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.180 2.151 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.860 1.532 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.609 1.091 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.948 0.650 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.328 -0.471 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.729 -1.067 -1.419 1.00 0.00 H new ATOM 925 N ALA A 62 -3.100 0.059 -6.039 1.00 0.00 N ATOM 926 CA ALA A 62 -2.322 1.087 -6.718 1.00 0.00 C ATOM 927 C ALA A 62 -3.221 2.001 -7.544 1.00 0.00 C ATOM 928 O ALA A 62 -3.150 3.225 -7.432 1.00 0.00 O ATOM 929 CB ALA A 62 -1.260 0.449 -7.602 1.00 0.00 C ATOM 0 H ALA A 62 -2.607 -0.824 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.830 1.695 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.687 1.229 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.592 -0.156 -6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.740 -0.184 -8.348 1.00 0.00 H new ATOM 935 N LYS A 63 -4.066 1.399 -8.373 1.00 0.00 N ATOM 936 CA LYS A 63 -4.981 2.158 -9.218 1.00 0.00 C ATOM 937 C LYS A 63 -5.887 3.049 -8.375 1.00 0.00 C ATOM 938 O LYS A 63 -5.919 4.267 -8.557 1.00 0.00 O ATOM 939 CB LYS A 63 -5.829 1.209 -10.068 1.00 0.00 C ATOM 940 CG LYS A 63 -6.241 1.795 -11.407 1.00 0.00 C ATOM 941 CD LYS A 63 -5.214 1.498 -12.486 1.00 0.00 C ATOM 942 CE LYS A 63 -5.646 2.053 -13.835 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.536 1.108 -14.565 1.00 0.00 N ATOM 0 H LYS A 63 -4.137 0.387 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.387 2.792 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.269 0.290 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.724 0.936 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.208 1.387 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.366 2.873 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.254 1.930 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.068 0.421 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.165 3.000 -13.689 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.764 2.263 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.808 1.523 -15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.033 0.213 -14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.390 0.928 -13.999 1.00 0.00 H new ATOM 957 N HIS A 64 -6.621 2.436 -7.453 1.00 0.00 N ATOM 958 CA HIS A 64 -7.527 3.175 -6.580 1.00 0.00 C ATOM 959 C HIS A 64 -6.838 4.408 -6.003 1.00 0.00 C ATOM 960 O HIS A 64 -7.411 5.498 -5.983 1.00 0.00 O ATOM 961 CB HIS A 64 -8.024 2.277 -5.447 1.00 0.00 C ATOM 962 CG HIS A 64 -9.402 2.620 -4.972 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.547 2.167 -5.593 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.817 3.376 -3.929 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.606 2.630 -4.953 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.190 3.367 -3.938 1.00 0.00 N ATOM 0 H HIS A 64 -6.607 1.429 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.380 3.501 -7.175 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.012 1.241 -5.784 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.331 2.347 -4.608 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.185 3.891 -3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.636 2.439 -5.215 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.791 3.850 -3.270 1.00 0.00 H new ATOM 974 N ARG A 65 -5.608 4.228 -5.533 1.00 0.00 N ATOM 975 CA ARG A 65 -4.843 5.325 -4.953 1.00 0.00 C ATOM 976 C ARG A 65 -4.509 6.374 -6.011 1.00 0.00 C ATOM 977 O ARG A 65 -4.638 7.574 -5.772 1.00 0.00 O ATOM 978 CB ARG A 65 -3.555 4.798 -4.318 1.00 0.00 C ATOM 979 CG ARG A 65 -3.709 4.419 -2.854 1.00 0.00 C ATOM 980 CD ARG A 65 -2.431 3.810 -2.299 1.00 0.00 C ATOM 981 NE ARG A 65 -2.314 4.004 -0.857 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.156 3.997 -0.206 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.022 3.808 -0.866 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.131 4.181 1.108 1.00 0.00 N ATOM 0 H ARG A 65 -5.120 3.332 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.455 5.793 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.215 3.926 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.778 5.557 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.974 5.303 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.529 3.709 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.410 2.744 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.570 4.258 -2.796 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.168 4.153 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.037 3.668 -1.876 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.866 3.803 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.001 4.328 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.241 4.175 1.607 1.00 0.00 H new ATOM 998 N ALA A 66 -4.079 5.911 -7.180 1.00 0.00 N ATOM 999 CA ALA A 66 -3.728 6.808 -8.274 1.00 0.00 C ATOM 1000 C ALA A 66 -4.858 7.791 -8.562 1.00 0.00 C ATOM 1001 O ALA A 66 -4.635 8.998 -8.652 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.390 6.008 -9.524 1.00 0.00 C ATOM 0 H ALA A 66 -3.965 4.920 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.851 7.381 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.130 6.690 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.545 5.351 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.253 5.410 -9.817 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.070 7.266 -8.706 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.235 8.099 -8.982 1.00 0.00 C ATOM 1010 C ALA A 67 -7.661 8.875 -7.742 1.00 0.00 C ATOM 1011 O ALA A 67 -8.083 10.027 -7.835 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.385 7.244 -9.494 1.00 0.00 C ATOM 0 H ALA A 67 -6.271 6.268 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.962 8.820 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.248 7.878 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.083 6.739 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.649 6.501 -8.742 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.548 8.237 -6.581 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.924 8.869 -5.322 1.00 0.00 C ATOM 1020 C GLU A 68 -7.174 10.184 -5.128 1.00 0.00 C ATOM 1021 O GLU A 68 -7.776 11.217 -4.837 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.639 7.929 -4.149 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.811 7.031 -3.790 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.677 6.421 -2.408 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.546 6.055 -2.028 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.705 6.311 -1.706 1.00 0.00 O ATOM 0 H GLU A 68 -7.199 7.283 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.992 9.082 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.778 7.308 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.366 8.523 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.735 7.608 -3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.892 6.234 -4.529 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.856 10.136 -5.292 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.024 11.323 -5.137 1.00 0.00 C ATOM 1035 C ALA A 69 -5.622 12.514 -5.877 1.00 0.00 C ATOM 1036 O ALA A 69 -6.140 13.444 -5.260 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.612 11.045 -5.633 1.00 0.00 C ATOM 0 H ALA A 69 -5.342 9.288 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.983 11.572 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.001 11.939 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.178 10.228 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.644 10.768 -6.687 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.547 12.479 -7.204 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.083 13.555 -8.028 1.00 0.00 C ATOM 1045 C ALA A 70 -7.370 14.114 -7.432 1.00 0.00 C ATOM 1046 O ALA A 70 -7.425 15.276 -7.029 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.326 13.062 -9.447 1.00 0.00 C ATOM 0 H ALA A 70 -5.120 11.717 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.348 14.359 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.726 13.876 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.386 12.718 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.040 12.239 -9.429 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.403 13.280 -7.380 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.690 13.692 -6.833 1.00 0.00 C ATOM 1055 C ILE A 71 -9.507 14.559 -5.592 1.00 0.00 C ATOM 1056 O ILE A 71 -9.769 15.761 -5.617 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.564 12.477 -6.473 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.789 11.599 -7.706 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.894 12.934 -5.892 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.543 10.322 -7.410 1.00 0.00 C ATOM 0 H ILE A 71 -8.374 12.315 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.191 14.272 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.044 11.886 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.339 12.171 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.823 11.348 -8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.500 12.063 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.715 13.522 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.421 13.545 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.666 9.750 -8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.984 9.729 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.523 10.565 -7.000 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.055 13.940 -4.506 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.836 14.655 -3.254 1.00 0.00 C ATOM 1074 C ASN A 72 -8.343 16.074 -3.517 1.00 0.00 C ATOM 1075 O ASN A 72 -8.681 17.005 -2.785 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.824 13.905 -2.385 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.487 12.904 -1.458 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.655 13.053 -1.099 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.741 11.877 -1.067 1.00 0.00 N ATOM 0 H ASN A 72 -8.833 12.945 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.788 14.712 -2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.112 13.386 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.255 14.622 -1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.132 11.171 -0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.777 11.795 -1.390 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.544 16.233 -4.567 1.00 0.00 N ATOM 1087 CA ILE A 73 -7.008 17.539 -4.928 1.00 0.00 C ATOM 1088 C ILE A 73 -8.013 18.338 -5.750 1.00 0.00 C ATOM 1089 O ILE A 73 -8.192 19.538 -5.536 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.697 17.408 -5.726 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.608 16.771 -4.860 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.248 18.770 -6.234 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.592 15.979 -5.653 1.00 0.00 C ATOM 0 H ILE A 73 -7.254 15.473 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.805 18.066 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.875 16.762 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.093 17.554 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.076 16.115 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.320 18.661 -6.796 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.018 19.188 -6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.084 19.438 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.851 15.556 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.095 15.174 -6.188 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.097 16.636 -6.368 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.668 17.666 -6.690 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.658 18.313 -7.544 1.00 0.00 C ATOM 1107 C LEU A 74 -10.721 19.018 -6.708 1.00 0.00 C ATOM 1108 O LEU A 74 -11.270 20.042 -7.115 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.316 17.284 -8.465 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.598 17.010 -9.787 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.105 16.832 -9.556 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.184 15.782 -10.468 1.00 0.00 C ATOM 0 H LEU A 74 -8.532 16.673 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.146 19.060 -8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.405 16.344 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.329 17.620 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.744 17.868 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.610 16.638 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.695 17.739 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.939 15.991 -8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.661 15.602 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.069 14.915 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.243 15.947 -10.668 1.00 0.00 H new ATOM 1124 N LYS A 75 -11.007 18.463 -5.535 1.00 0.00 N ATOM 1125 CA LYS A 75 -12.002 19.039 -4.638 1.00 0.00 C ATOM 1126 C LYS A 75 -11.463 20.296 -3.963 1.00 0.00 C ATOM 1127 O LYS A 75 -12.056 21.370 -4.066 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.417 18.016 -3.578 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.702 16.636 -4.144 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.423 15.546 -3.122 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.591 15.365 -2.166 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.276 14.394 -1.082 1.00 0.00 N ATOM 0 H LYS A 75 -10.564 17.614 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.875 19.312 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.626 17.937 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.306 18.379 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.743 16.580 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.089 16.471 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.224 14.606 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.525 15.797 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.853 16.327 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.464 15.020 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.098 14.299 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.051 13.469 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.459 14.736 -0.537 1.00 0.00 H new