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= 0.404 USER MOD Set 1.2: A 51 THR OG1 : rot -89:sc= -0.0845 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.532 USER MOD Single : A 12 GLN : amide:sc= -0.65! C(o=-0.65!,f=-0.65!) USER MOD Single : A 15 HIS : no HD1:sc= -2.03 X(o=-2,f=-1.8!) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.23 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 -3:sc= 0.452 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.86 K(o=-2.9,f=-3.4) USER MOD Single : A 27 TYR OH : rot 70:sc= -1.52! USER MOD Single : A 29 CYS SG : rot 36:sc= 0.112 USER MOD Single : A 32 SER OG : rot 84:sc= 2.02 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 37 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-4.9) USER MOD Single : A 40 THR OG1 : rot 35:sc= 0.156 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 52 CYS SG : rot -127:sc= -4.08! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -116:sc= -1.19 USER MOD Single : A 58 SER OG : rot -6:sc= -0.366 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+ -174:sc= 0.389 (180deg=0.383) USER MOD Single : A 64 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-8.1!) USER MOD Single : A 72 ASN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.580 6.835 -4.626 1.00 0.00 N ATOM 67 CA LYS A 8 -18.961 6.543 -5.913 1.00 0.00 C ATOM 68 C LYS A 8 -17.467 6.280 -5.751 1.00 0.00 C ATOM 69 O LYS A 8 -16.789 6.950 -4.972 1.00 0.00 O ATOM 70 CB LYS A 8 -19.182 7.705 -6.884 1.00 0.00 C ATOM 71 CG LYS A 8 -20.550 7.693 -7.544 1.00 0.00 C ATOM 72 CD LYS A 8 -20.508 8.324 -8.926 1.00 0.00 C ATOM 73 CE LYS A 8 -20.727 9.828 -8.860 1.00 0.00 C ATOM 74 NZ LYS A 8 -20.786 10.440 -10.216 1.00 0.00 N ATOM 0 HA LYS A 8 -19.429 5.645 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.055 8.645 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.414 7.673 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.908 6.667 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.262 8.232 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.545 8.116 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.273 7.871 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.654 10.037 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.920 10.288 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.936 11.465 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.891 10.263 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.572 10.020 -10.753 1.00 0.00 H new ATOM 88 N THR A 9 -16.960 5.300 -6.492 1.00 0.00 N ATOM 89 CA THR A 9 -15.546 4.948 -6.431 1.00 0.00 C ATOM 90 C THR A 9 -14.676 6.075 -6.975 1.00 0.00 C ATOM 91 O THR A 9 -15.107 6.883 -7.797 1.00 0.00 O ATOM 92 CB THR A 9 -15.253 3.660 -7.222 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.902 3.983 -8.572 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.460 2.733 -7.214 1.00 0.00 C ATOM 0 H THR A 9 -17.507 4.736 -7.142 1.00 0.00 H new ATOM 0 HA THR A 9 -15.306 4.782 -5.381 1.00 0.00 H new ATOM 0 HB THR A 9 -14.419 3.148 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.716 3.158 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.229 1.830 -7.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.706 2.465 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.311 3.239 -7.671 1.00 0.00 H new ATOM 102 N PRO A 10 -13.419 6.131 -6.508 1.00 0.00 N ATOM 103 CA PRO A 10 -12.461 7.155 -6.936 1.00 0.00 C ATOM 104 C PRO A 10 -12.019 6.965 -8.383 1.00 0.00 C ATOM 105 O PRO A 10 -11.416 7.858 -8.980 1.00 0.00 O ATOM 106 CB PRO A 10 -11.279 6.953 -5.985 1.00 0.00 C ATOM 107 CG PRO A 10 -11.371 5.527 -5.563 1.00 0.00 C ATOM 108 CD PRO A 10 -12.838 5.200 -5.527 1.00 0.00 C ATOM 0 HA PRO A 10 -12.890 8.156 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.331 7.158 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.341 7.624 -5.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.844 4.878 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.914 5.379 -4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.025 4.161 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.259 5.350 -4.533 1.00 0.00 H new ATOM 116 N ILE A 11 -12.323 5.799 -8.942 1.00 0.00 N ATOM 117 CA ILE A 11 -11.957 5.494 -10.320 1.00 0.00 C ATOM 118 C ILE A 11 -13.075 5.880 -11.283 1.00 0.00 C ATOM 119 O ILE A 11 -12.819 6.279 -12.419 1.00 0.00 O ATOM 120 CB ILE A 11 -11.633 4.000 -10.500 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.575 3.559 -9.486 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.160 3.727 -11.919 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.197 4.112 -9.773 1.00 0.00 C ATOM 0 H ILE A 11 -12.822 5.050 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.066 6.080 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.541 3.423 -10.324 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.884 3.875 -8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.526 2.470 -9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.935 2.666 -12.030 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.943 4.007 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.263 4.311 -12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.498 3.759 -9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.867 3.775 -10.756 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.231 5.201 -9.756 1.00 0.00 H new ATOM 135 N GLN A 12 -14.315 5.758 -10.821 1.00 0.00 N ATOM 136 CA GLN A 12 -15.473 6.095 -11.641 1.00 0.00 C ATOM 137 C GLN A 12 -15.733 7.598 -11.624 1.00 0.00 C ATOM 138 O GLN A 12 -16.257 8.159 -12.587 1.00 0.00 O ATOM 139 CB GLN A 12 -16.711 5.346 -11.146 1.00 0.00 C ATOM 140 CG GLN A 12 -16.777 3.902 -11.618 1.00 0.00 C ATOM 141 CD GLN A 12 -16.324 3.737 -13.056 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.009 4.161 -13.987 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.165 3.118 -13.243 1.00 0.00 N ATOM 0 H GLN A 12 -14.544 5.428 -9.883 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.260 5.793 -12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.725 5.364 -10.056 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.604 5.872 -11.485 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.154 3.284 -10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.800 3.538 -11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.631 2.783 -12.441 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.809 2.977 -14.188 1.00 0.00 H new ATOM 152 N VAL A 13 -15.363 8.245 -10.524 1.00 0.00 N ATOM 153 CA VAL A 13 -15.556 9.684 -10.382 1.00 0.00 C ATOM 154 C VAL A 13 -14.492 10.459 -11.150 1.00 0.00 C ATOM 155 O VAL A 13 -14.798 11.176 -12.104 1.00 0.00 O ATOM 156 CB VAL A 13 -15.519 10.112 -8.903 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.635 11.623 -8.781 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.625 9.419 -8.121 1.00 0.00 C ATOM 0 H VAL A 13 -14.928 7.796 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.538 9.914 -10.795 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.561 9.810 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.607 11.906 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.805 12.095 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.577 11.952 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.584 9.733 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.593 9.688 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.491 8.339 -8.181 1.00 0.00 H new ATOM 168 N LEU A 14 -13.241 10.311 -10.730 1.00 0.00 N ATOM 169 CA LEU A 14 -12.129 10.997 -11.379 1.00 0.00 C ATOM 170 C LEU A 14 -12.271 10.948 -12.897 1.00 0.00 C ATOM 171 O LEU A 14 -12.438 11.979 -13.549 1.00 0.00 O ATOM 172 CB LEU A 14 -10.800 10.367 -10.959 1.00 0.00 C ATOM 173 CG LEU A 14 -9.590 11.303 -10.940 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.297 10.503 -10.959 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.642 12.265 -12.118 1.00 0.00 C ATOM 0 H LEU A 14 -12.971 9.722 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.144 12.040 -11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.921 9.942 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.584 9.539 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.619 11.886 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.447 11.185 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.257 9.855 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.259 9.894 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.774 12.923 -12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.637 11.700 -13.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.552 12.862 -12.060 1.00 0.00 H new ATOM 187 N HIS A 15 -12.205 9.743 -13.454 1.00 0.00 N ATOM 188 CA HIS A 15 -12.329 9.559 -14.896 1.00 0.00 C ATOM 189 C HIS A 15 -13.545 10.305 -15.436 1.00 0.00 C ATOM 190 O HIS A 15 -13.410 11.325 -16.110 1.00 0.00 O ATOM 191 CB HIS A 15 -12.436 8.072 -15.234 1.00 0.00 C ATOM 192 CG HIS A 15 -12.377 7.786 -16.703 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.276 8.075 -17.482 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.290 7.232 -17.535 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.516 7.713 -18.730 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.731 7.198 -18.788 1.00 0.00 N ATOM 0 H HIS A 15 -12.066 8.879 -12.929 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.435 9.967 -15.368 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.629 7.535 -14.735 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.372 7.683 -14.834 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.275 6.882 -17.263 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.835 7.820 -19.561 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.181 6.834 -19.628 1.00 0.00 H new ATOM 204 N GLU A 16 -14.732 9.787 -15.135 1.00 0.00 N ATOM 205 CA GLU A 16 -15.972 10.404 -15.593 1.00 0.00 C ATOM 206 C GLU A 16 -15.864 11.926 -15.567 1.00 0.00 C ATOM 207 O GLU A 16 -16.274 12.605 -16.509 1.00 0.00 O ATOM 208 CB GLU A 16 -17.145 9.950 -14.723 1.00 0.00 C ATOM 209 CG GLU A 16 -17.641 8.551 -15.051 1.00 0.00 C ATOM 210 CD GLU A 16 -19.012 8.267 -14.468 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.090 7.945 -13.265 1.00 0.00 O ATOM 212 OE2 GLU A 16 -20.006 8.366 -15.218 1.00 0.00 O ATOM 0 H GLU A 16 -14.861 8.943 -14.577 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.148 10.087 -16.621 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.844 9.983 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.968 10.655 -14.841 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.678 8.427 -16.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.929 7.819 -14.670 1.00 0.00 H new ATOM 219 N TYR A 17 -15.310 12.455 -14.482 1.00 0.00 N ATOM 220 CA TYR A 17 -15.151 13.896 -14.330 1.00 0.00 C ATOM 221 C TYR A 17 -14.251 14.463 -15.424 1.00 0.00 C ATOM 222 O TYR A 17 -14.653 15.348 -16.178 1.00 0.00 O ATOM 223 CB TYR A 17 -14.568 14.224 -12.954 1.00 0.00 C ATOM 224 CG TYR A 17 -13.907 15.582 -12.885 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.660 16.748 -12.947 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.528 15.700 -12.756 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.060 17.991 -12.885 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.920 16.938 -12.692 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.690 18.081 -12.757 1.00 0.00 C ATOM 230 OH TYR A 17 -12.088 19.316 -12.693 1.00 0.00 O ATOM 0 H TYR A 17 -14.963 11.907 -13.695 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.135 14.356 -14.419 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.364 14.179 -12.211 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.838 13.460 -12.686 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.733 16.682 -13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.922 14.808 -12.705 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.661 18.887 -12.936 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.847 17.011 -12.592 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.119 19.203 -12.602 1.00 0.00 H new ATOM 240 N GLY A 18 -13.029 13.945 -15.504 1.00 0.00 N ATOM 241 CA GLY A 18 -12.090 14.409 -16.508 1.00 0.00 C ATOM 242 C GLY A 18 -12.772 14.783 -17.810 1.00 0.00 C ATOM 243 O GLY A 18 -12.432 15.791 -18.429 1.00 0.00 O ATOM 0 H GLY A 18 -12.673 13.212 -14.891 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.549 15.273 -16.123 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.352 13.630 -16.699 1.00 0.00 H new ATOM 247 N MET A 19 -13.734 13.967 -18.228 1.00 0.00 N ATOM 248 CA MET A 19 -14.464 14.217 -19.465 1.00 0.00 C ATOM 249 C MET A 19 -14.992 15.647 -19.505 1.00 0.00 C ATOM 250 O MET A 19 -14.826 16.354 -20.499 1.00 0.00 O ATOM 251 CB MET A 19 -15.623 13.228 -19.607 1.00 0.00 C ATOM 252 CG MET A 19 -15.174 11.786 -19.773 1.00 0.00 C ATOM 253 SD MET A 19 -16.559 10.641 -19.927 1.00 0.00 S ATOM 254 CE MET A 19 -15.714 9.067 -19.794 1.00 0.00 C ATOM 0 H MET A 19 -14.026 13.127 -17.728 1.00 0.00 H new ATOM 0 HA MET A 19 -13.775 14.080 -20.298 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.263 13.302 -18.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.229 13.512 -20.467 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.541 11.706 -20.657 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.563 11.499 -18.917 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.439 8.257 -19.871 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.983 8.977 -20.598 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.205 9.008 -18.832 1.00 0.00 H new ATOM 264 N LYS A 20 -15.630 16.068 -18.418 1.00 0.00 N ATOM 265 CA LYS A 20 -16.183 17.414 -18.327 1.00 0.00 C ATOM 266 C LYS A 20 -15.109 18.463 -18.600 1.00 0.00 C ATOM 267 O LYS A 20 -15.330 19.412 -19.353 1.00 0.00 O ATOM 268 CB LYS A 20 -16.795 17.644 -16.944 1.00 0.00 C ATOM 269 CG LYS A 20 -18.264 17.267 -16.859 1.00 0.00 C ATOM 270 CD LYS A 20 -18.443 15.785 -16.576 1.00 0.00 C ATOM 271 CE LYS A 20 -18.237 15.469 -15.102 1.00 0.00 C ATOM 272 NZ LYS A 20 -19.432 15.823 -14.287 1.00 0.00 N ATOM 0 H LYS A 20 -15.777 15.495 -17.587 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.962 17.511 -19.083 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.237 17.065 -16.208 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.682 18.694 -16.676 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.745 17.849 -16.073 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.761 17.522 -17.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.443 15.474 -16.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.735 15.211 -17.174 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.019 14.407 -14.985 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.370 16.015 -14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.252 15.593 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.625 16.841 -14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.254 15.283 -14.624 1.00 0.00 H new ATOM 286 N THR A 21 -13.944 18.284 -17.985 1.00 0.00 N ATOM 287 CA THR A 21 -12.836 19.214 -18.162 1.00 0.00 C ATOM 288 C THR A 21 -11.992 18.839 -19.375 1.00 0.00 C ATOM 289 O THR A 21 -10.780 19.057 -19.393 1.00 0.00 O ATOM 290 CB THR A 21 -11.932 19.255 -16.915 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.412 17.948 -16.644 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.702 19.761 -15.705 1.00 0.00 C ATOM 0 H THR A 21 -13.744 17.503 -17.360 1.00 0.00 H new ATOM 0 HA THR A 21 -13.273 20.200 -18.317 1.00 0.00 H new ATOM 0 HB THR A 21 -11.107 19.940 -17.113 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.788 17.307 -17.284 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.043 19.781 -14.837 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.072 20.767 -15.904 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.544 19.098 -15.506 1.00 0.00 H new ATOM 300 N LYS A 22 -12.640 18.275 -20.389 1.00 0.00 N ATOM 301 CA LYS A 22 -11.950 17.872 -21.609 1.00 0.00 C ATOM 302 C LYS A 22 -10.564 17.319 -21.293 1.00 0.00 C ATOM 303 O LYS A 22 -9.644 17.425 -22.102 1.00 0.00 O ATOM 304 CB LYS A 22 -11.831 19.058 -22.568 1.00 0.00 C ATOM 305 CG LYS A 22 -13.162 19.714 -22.893 1.00 0.00 C ATOM 306 CD LYS A 22 -13.520 20.783 -21.874 1.00 0.00 C ATOM 307 CE LYS A 22 -14.401 21.862 -22.485 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.329 23.137 -21.719 1.00 0.00 N ATOM 0 H LYS A 22 -13.642 18.087 -20.390 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.536 17.086 -22.085 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.166 19.803 -22.131 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.366 18.720 -23.494 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.117 20.158 -23.887 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.946 18.957 -22.918 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.036 20.325 -21.030 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.608 21.234 -21.483 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.095 22.040 -23.516 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.434 21.514 -22.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.943 23.847 -22.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.645 22.973 -20.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.348 23.483 -21.712 1.00 0.00 H new ATOM 322 N ASN A 23 -10.423 16.729 -20.110 1.00 0.00 N ATOM 323 CA ASN A 23 -9.149 16.159 -19.688 1.00 0.00 C ATOM 324 C ASN A 23 -9.360 14.839 -18.952 1.00 0.00 C ATOM 325 O ASN A 23 -9.903 14.814 -17.847 1.00 0.00 O ATOM 326 CB ASN A 23 -8.399 17.143 -18.788 1.00 0.00 C ATOM 327 CG ASN A 23 -8.136 18.469 -19.475 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.767 18.511 -20.649 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.324 19.562 -18.743 1.00 0.00 N ATOM 0 H ASN A 23 -11.175 16.633 -19.427 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.553 15.966 -20.580 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.978 17.315 -17.881 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.451 16.701 -18.482 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.162 20.483 -19.151 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.630 19.480 -17.774 1.00 0.00 H new ATOM 336 N ILE A 24 -8.928 13.746 -19.571 1.00 0.00 N ATOM 337 CA ILE A 24 -9.068 12.424 -18.974 1.00 0.00 C ATOM 338 C ILE A 24 -7.817 12.038 -18.193 1.00 0.00 C ATOM 339 O ILE A 24 -6.688 12.274 -18.623 1.00 0.00 O ATOM 340 CB ILE A 24 -9.344 11.350 -20.043 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.633 11.673 -20.801 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.430 9.974 -19.401 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.841 11.824 -19.901 1.00 0.00 C ATOM 0 H ILE A 24 -8.478 13.750 -20.486 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.917 12.474 -18.293 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.518 11.346 -20.755 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.492 12.595 -21.365 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.827 10.883 -21.526 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.625 9.226 -20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.488 9.745 -18.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.239 9.963 -18.670 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.719 12.052 -20.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.007 10.895 -19.356 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.668 12.634 -19.192 1.00 0.00 H new ATOM 355 N PRO A 25 -8.019 11.427 -17.016 1.00 0.00 N ATOM 356 CA PRO A 25 -6.919 10.993 -16.150 1.00 0.00 C ATOM 357 C PRO A 25 -6.148 9.816 -16.738 1.00 0.00 C ATOM 358 O PRO A 25 -6.684 8.717 -16.877 1.00 0.00 O ATOM 359 CB PRO A 25 -7.628 10.575 -14.859 1.00 0.00 C ATOM 360 CG PRO A 25 -9.008 10.209 -15.285 1.00 0.00 C ATOM 361 CD PRO A 25 -9.338 11.114 -16.440 1.00 0.00 C ATOM 0 HA PRO A 25 -6.176 11.778 -16.010 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.124 9.733 -14.385 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.640 11.388 -14.133 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.060 9.162 -15.583 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.717 10.344 -14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.986 10.621 -17.164 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.856 12.014 -16.110 1.00 0.00 H new ATOM 369 N VAL A 26 -4.887 10.055 -17.083 1.00 0.00 N ATOM 370 CA VAL A 26 -4.041 9.014 -17.655 1.00 0.00 C ATOM 371 C VAL A 26 -3.445 8.129 -16.566 1.00 0.00 C ATOM 372 O VAL A 26 -3.195 8.584 -15.449 1.00 0.00 O ATOM 373 CB VAL A 26 -2.898 9.617 -18.494 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.451 10.573 -19.540 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.893 10.322 -17.595 1.00 0.00 C ATOM 0 H VAL A 26 -4.429 10.960 -16.976 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.677 8.410 -18.302 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.384 8.807 -19.012 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.629 10.989 -20.123 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.130 10.035 -20.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.991 11.381 -19.046 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.092 10.742 -18.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.392 11.123 -17.049 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.474 9.607 -16.887 1.00 0.00 H new ATOM 385 N TYR A 27 -3.218 6.863 -16.898 1.00 0.00 N ATOM 386 CA TYR A 27 -2.653 5.913 -15.948 1.00 0.00 C ATOM 387 C TYR A 27 -1.513 5.121 -16.582 1.00 0.00 C ATOM 388 O TYR A 27 -1.721 4.370 -17.534 1.00 0.00 O ATOM 389 CB TYR A 27 -3.736 4.957 -15.445 1.00 0.00 C ATOM 390 CG TYR A 27 -4.785 5.628 -14.587 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.814 6.363 -15.162 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.747 5.525 -13.202 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.774 6.978 -14.382 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.704 6.135 -12.414 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.715 6.861 -13.009 1.00 0.00 C ATOM 396 OH TYR A 27 -7.670 7.471 -12.228 1.00 0.00 O ATOM 0 H TYR A 27 -3.417 6.471 -17.818 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.254 6.476 -15.104 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.223 4.490 -16.301 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.266 4.158 -14.871 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.864 6.455 -16.237 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.956 4.958 -12.733 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.566 7.547 -14.845 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.661 6.044 -11.339 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.528 7.012 -12.343 1.00 0.00 H new ATOM 406 N GLU A 28 -0.310 5.296 -16.045 1.00 0.00 N ATOM 407 CA GLU A 28 0.863 4.597 -16.558 1.00 0.00 C ATOM 408 C GLU A 28 1.634 3.925 -15.426 1.00 0.00 C ATOM 409 O GLU A 28 1.745 4.469 -14.327 1.00 0.00 O ATOM 410 CB GLU A 28 1.778 5.571 -17.304 1.00 0.00 C ATOM 411 CG GLU A 28 1.497 5.647 -18.796 1.00 0.00 C ATOM 412 CD GLU A 28 2.029 6.920 -19.425 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.073 7.421 -18.956 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.403 7.415 -20.385 1.00 0.00 O ATOM 0 H GLU A 28 -0.122 5.915 -15.256 1.00 0.00 H new ATOM 0 HA GLU A 28 0.522 3.827 -17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.667 6.565 -16.871 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.815 5.271 -17.153 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.946 4.786 -19.291 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.422 5.585 -18.963 1.00 0.00 H new ATOM 421 N CYS A 29 2.164 2.738 -15.702 1.00 0.00 N ATOM 422 CA CYS A 29 2.924 1.989 -14.707 1.00 0.00 C ATOM 423 C CYS A 29 4.409 2.327 -14.790 1.00 0.00 C ATOM 424 O CYS A 29 5.041 2.136 -15.827 1.00 0.00 O ATOM 425 CB CYS A 29 2.719 0.487 -14.904 1.00 0.00 C ATOM 426 SG CYS A 29 3.164 -0.110 -16.552 1.00 0.00 S ATOM 0 H CYS A 29 2.081 2.274 -16.606 1.00 0.00 H new ATOM 0 HA CYS A 29 2.560 2.272 -13.719 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.311 -0.050 -14.163 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.673 0.246 -14.712 1.00 0.00 H new ATOM 0 HG CYS A 29 4.198 0.547 -16.987 1.00 0.00 H new ATOM 432 N GLU A 30 4.957 2.833 -13.689 1.00 0.00 N ATOM 433 CA GLU A 30 6.367 3.200 -13.639 1.00 0.00 C ATOM 434 C GLU A 30 7.214 2.039 -13.125 1.00 0.00 C ATOM 435 O GLU A 30 8.141 1.588 -13.796 1.00 0.00 O ATOM 436 CB GLU A 30 6.567 4.426 -12.745 1.00 0.00 C ATOM 437 CG GLU A 30 5.819 5.658 -13.227 1.00 0.00 C ATOM 438 CD GLU A 30 6.097 5.977 -14.683 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.172 5.584 -15.181 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.239 6.620 -15.324 1.00 0.00 O ATOM 0 H GLU A 30 4.447 2.998 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 30 6.689 3.441 -14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.240 4.185 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.631 4.656 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.748 5.505 -13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.100 6.513 -12.612 1.00 0.00 H new ATOM 447 N ARG A 31 6.887 1.561 -11.928 1.00 0.00 N ATOM 448 CA ARG A 31 7.618 0.455 -11.322 1.00 0.00 C ATOM 449 C ARG A 31 6.725 -0.774 -11.181 1.00 0.00 C ATOM 450 O ARG A 31 5.612 -0.689 -10.663 1.00 0.00 O ATOM 451 CB ARG A 31 8.160 0.864 -9.951 1.00 0.00 C ATOM 452 CG ARG A 31 8.777 -0.287 -9.172 1.00 0.00 C ATOM 453 CD ARG A 31 10.255 -0.446 -9.491 1.00 0.00 C ATOM 454 NE ARG A 31 10.470 -1.081 -10.789 1.00 0.00 N ATOM 455 CZ ARG A 31 11.673 -1.323 -11.298 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.762 -0.987 -10.622 1.00 0.00 N ATOM 457 NH2 ARG A 31 11.787 -1.904 -12.485 1.00 0.00 N ATOM 0 H ARG A 31 6.121 1.922 -11.360 1.00 0.00 H new ATOM 0 HA ARG A 31 8.453 0.203 -11.975 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.909 1.645 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.350 1.296 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.651 -0.114 -8.103 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.251 -1.212 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.735 0.533 -9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.732 -1.042 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 31 9.652 -1.353 -11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.678 -0.541 -9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.684 -1.174 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.951 -2.165 -13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.711 -2.090 -12.875 1.00 0.00 H new ATOM 471 N SER A 32 7.220 -1.916 -11.648 1.00 0.00 N ATOM 472 CA SER A 32 6.465 -3.162 -11.578 1.00 0.00 C ATOM 473 C SER A 32 7.340 -4.298 -11.057 1.00 0.00 C ATOM 474 O SER A 32 8.059 -4.943 -11.820 1.00 0.00 O ATOM 475 CB SER A 32 5.908 -3.523 -12.957 1.00 0.00 C ATOM 476 OG SER A 32 5.433 -4.858 -12.981 1.00 0.00 O ATOM 0 H SER A 32 8.140 -2.004 -12.079 1.00 0.00 H new ATOM 0 HA SER A 32 5.636 -3.018 -10.885 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.098 -2.841 -13.216 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.685 -3.396 -13.711 1.00 0.00 H new ATOM 0 HG SER A 32 4.516 -4.885 -12.637 1.00 0.00 H new ATOM 482 N ASP A 33 7.271 -4.538 -9.752 1.00 0.00 N ATOM 483 CA ASP A 33 8.055 -5.597 -9.127 1.00 0.00 C ATOM 484 C ASP A 33 7.174 -6.793 -8.780 1.00 0.00 C ATOM 485 O ASP A 33 6.140 -6.647 -8.128 1.00 0.00 O ATOM 486 CB ASP A 33 8.745 -5.073 -7.867 1.00 0.00 C ATOM 487 CG ASP A 33 10.109 -4.478 -8.158 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.264 -3.844 -9.223 1.00 0.00 O ATOM 489 OD2 ASP A 33 11.021 -4.646 -7.322 1.00 0.00 O ATOM 0 H ASP A 33 6.680 -4.014 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 33 8.814 -5.922 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.115 -4.317 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.852 -5.887 -7.150 1.00 0.00 H new ATOM 494 N VAL A 34 7.590 -7.976 -9.221 1.00 0.00 N ATOM 495 CA VAL A 34 6.839 -9.197 -8.958 1.00 0.00 C ATOM 496 C VAL A 34 7.646 -10.165 -8.100 1.00 0.00 C ATOM 497 O VAL A 34 8.559 -10.829 -8.589 1.00 0.00 O ATOM 498 CB VAL A 34 6.436 -9.902 -10.267 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.345 -9.120 -10.981 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.649 -10.085 -11.167 1.00 0.00 C ATOM 0 H VAL A 34 8.443 -8.114 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 34 5.938 -8.904 -8.420 1.00 0.00 H new ATOM 0 HB VAL A 34 6.041 -10.888 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.074 -9.633 -11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.469 -9.045 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.709 -8.120 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.347 -10.585 -12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.075 -9.111 -11.406 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.395 -10.691 -10.653 1.00 0.00 H new ATOM 510 N GLN A 35 7.303 -10.238 -6.818 1.00 0.00 N ATOM 511 CA GLN A 35 7.997 -11.125 -5.891 1.00 0.00 C ATOM 512 C GLN A 35 7.009 -12.022 -5.154 1.00 0.00 C ATOM 513 O GLN A 35 7.318 -13.171 -4.834 1.00 0.00 O ATOM 514 CB GLN A 35 8.812 -10.309 -4.886 1.00 0.00 C ATOM 515 CG GLN A 35 9.915 -9.481 -5.526 1.00 0.00 C ATOM 516 CD GLN A 35 10.617 -8.576 -4.533 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.199 -8.458 -3.381 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.690 -7.931 -4.975 1.00 0.00 N ATOM 0 H GLN A 35 6.549 -9.694 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 35 8.672 -11.757 -6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.141 -9.645 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.255 -10.986 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.646 -10.148 -5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.491 -8.875 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.001 -8.059 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.203 -7.308 -4.352 1.00 0.00 H new ATOM 527 N ILE A 36 5.821 -11.491 -4.885 1.00 0.00 N ATOM 528 CA ILE A 36 4.788 -12.245 -4.186 1.00 0.00 C ATOM 529 C ILE A 36 3.493 -12.279 -4.990 1.00 0.00 C ATOM 530 O ILE A 36 3.396 -11.674 -6.058 1.00 0.00 O ATOM 531 CB ILE A 36 4.500 -11.648 -2.796 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.972 -10.218 -2.930 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.754 -11.677 -1.936 1.00 0.00 C ATOM 534 CD1 ILE A 36 5.066 -9.180 -3.051 1.00 0.00 C ATOM 0 H ILE A 36 5.550 -10.541 -5.141 1.00 0.00 H new ATOM 0 HA ILE A 36 5.165 -13.261 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 36 3.736 -12.253 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.327 -10.158 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.355 -9.984 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.534 -11.252 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.090 -12.707 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.539 -11.093 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.620 -8.190 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.698 -9.212 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.670 -9.389 -3.934 1.00 0.00 H new ATOM 546 N HIS A 37 2.498 -12.991 -4.470 1.00 0.00 N ATOM 547 CA HIS A 37 1.207 -13.103 -5.138 1.00 0.00 C ATOM 548 C HIS A 37 0.738 -11.742 -5.645 1.00 0.00 C ATOM 549 O HIS A 37 0.425 -11.582 -6.825 1.00 0.00 O ATOM 550 CB HIS A 37 0.165 -13.692 -4.187 1.00 0.00 C ATOM 551 CG HIS A 37 -0.069 -12.859 -2.964 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.917 -12.587 -2.039 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.184 -12.236 -2.518 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.418 -11.833 -1.076 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.855 -11.605 -1.343 1.00 0.00 N ATOM 0 H HIS A 37 2.562 -13.499 -3.588 1.00 0.00 H new ATOM 0 HA HIS A 37 1.325 -13.769 -5.993 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.777 -13.810 -4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.485 -14.688 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.152 -12.235 -2.997 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.959 -11.466 -0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.491 -11.050 -0.770 1.00 0.00 H new ATOM 563 N VAL A 38 0.690 -10.765 -4.745 1.00 0.00 N ATOM 564 CA VAL A 38 0.259 -9.419 -5.101 1.00 0.00 C ATOM 565 C VAL A 38 1.454 -8.490 -5.287 1.00 0.00 C ATOM 566 O VAL A 38 2.035 -7.987 -4.325 1.00 0.00 O ATOM 567 CB VAL A 38 -0.676 -8.827 -4.030 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.052 -8.696 -2.700 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.221 -7.481 -4.483 1.00 0.00 C ATOM 0 H VAL A 38 0.944 -10.881 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.285 -9.500 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.518 -9.506 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.624 -8.276 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.389 -9.679 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.913 -8.039 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.880 -7.078 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.394 -6.791 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.781 -7.608 -5.410 1.00 0.00 H new ATOM 579 N PRO A 39 1.831 -8.257 -6.552 1.00 0.00 N ATOM 580 CA PRO A 39 2.960 -7.387 -6.894 1.00 0.00 C ATOM 581 C PRO A 39 2.668 -5.918 -6.607 1.00 0.00 C ATOM 582 O PRO A 39 1.633 -5.581 -6.031 1.00 0.00 O ATOM 583 CB PRO A 39 3.139 -7.612 -8.398 1.00 0.00 C ATOM 584 CG PRO A 39 1.797 -8.045 -8.878 1.00 0.00 C ATOM 585 CD PRO A 39 1.184 -8.824 -7.747 1.00 0.00 C ATOM 0 HA PRO A 39 3.847 -7.621 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.463 -6.700 -8.899 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.895 -8.371 -8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.180 -7.185 -9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.883 -8.660 -9.774 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.101 -8.701 -7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.380 -9.892 -7.842 1.00 0.00 H new ATOM 593 N THR A 40 3.586 -5.046 -7.013 1.00 0.00 N ATOM 594 CA THR A 40 3.427 -3.614 -6.799 1.00 0.00 C ATOM 595 C THR A 40 3.542 -2.845 -8.110 1.00 0.00 C ATOM 596 O THR A 40 4.509 -3.009 -8.854 1.00 0.00 O ATOM 597 CB THR A 40 4.476 -3.074 -5.808 1.00 0.00 C ATOM 598 OG1 THR A 40 5.793 -3.408 -6.258 1.00 0.00 O ATOM 599 CG2 THR A 40 4.250 -3.646 -4.416 1.00 0.00 C ATOM 0 H THR A 40 4.448 -5.308 -7.492 1.00 0.00 H new ATOM 0 HA THR A 40 2.431 -3.467 -6.380 1.00 0.00 H new ATOM 0 HB THR A 40 4.373 -1.990 -5.760 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.822 -3.377 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.002 -3.251 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.257 -3.365 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.328 -4.733 -4.452 1.00 0.00 H new ATOM 607 N PHE A 41 2.549 -2.006 -8.388 1.00 0.00 N ATOM 608 CA PHE A 41 2.539 -1.212 -9.611 1.00 0.00 C ATOM 609 C PHE A 41 2.303 0.263 -9.300 1.00 0.00 C ATOM 610 O PHE A 41 1.348 0.619 -8.609 1.00 0.00 O ATOM 611 CB PHE A 41 1.459 -1.723 -10.567 1.00 0.00 C ATOM 612 CG PHE A 41 1.828 -3.002 -11.261 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.784 -4.211 -10.584 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.220 -2.997 -12.590 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.124 -5.390 -11.220 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.559 -4.173 -13.231 1.00 0.00 C ATOM 617 CZ PHE A 41 2.512 -5.371 -12.545 1.00 0.00 C ATOM 0 H PHE A 41 1.741 -1.859 -7.783 1.00 0.00 H new ATOM 0 HA PHE A 41 3.514 -1.313 -10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.535 -1.875 -10.010 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.257 -0.958 -11.316 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.481 -4.232 -9.548 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.261 -2.063 -13.131 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.086 -6.325 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.861 -4.156 -14.268 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.778 -6.291 -13.044 1.00 0.00 H new ATOM 627 N THR A 42 3.181 1.118 -9.815 1.00 0.00 N ATOM 628 CA THR A 42 3.071 2.554 -9.591 1.00 0.00 C ATOM 629 C THR A 42 2.328 3.233 -10.736 1.00 0.00 C ATOM 630 O THR A 42 2.852 3.358 -11.843 1.00 0.00 O ATOM 631 CB THR A 42 4.458 3.206 -9.436 1.00 0.00 C ATOM 632 OG1 THR A 42 5.176 2.583 -8.366 1.00 0.00 O ATOM 633 CG2 THR A 42 4.327 4.697 -9.165 1.00 0.00 C ATOM 0 H THR A 42 3.976 0.841 -10.390 1.00 0.00 H new ATOM 0 HA THR A 42 2.509 2.688 -8.666 1.00 0.00 H new ATOM 0 HB THR A 42 5.006 3.069 -10.368 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.057 3.002 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.319 5.136 -9.059 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.806 5.173 -9.996 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.762 4.851 -8.246 1.00 0.00 H new ATOM 641 N PHE A 43 1.103 3.671 -10.462 1.00 0.00 N ATOM 642 CA PHE A 43 0.287 4.338 -11.470 1.00 0.00 C ATOM 643 C PHE A 43 0.338 5.853 -11.296 1.00 0.00 C ATOM 644 O PHE A 43 0.034 6.375 -10.224 1.00 0.00 O ATOM 645 CB PHE A 43 -1.161 3.852 -11.387 1.00 0.00 C ATOM 646 CG PHE A 43 -1.436 2.639 -12.230 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.446 2.728 -13.613 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.684 1.411 -11.640 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.699 1.615 -14.391 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.938 0.293 -12.413 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.944 0.395 -13.790 1.00 0.00 C ATOM 0 H PHE A 43 0.654 3.576 -9.551 1.00 0.00 H new ATOM 0 HA PHE A 43 0.691 4.089 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.400 3.624 -10.348 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.825 4.659 -11.698 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.254 3.679 -14.088 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.679 1.325 -10.563 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.705 1.698 -15.468 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.131 -0.659 -11.940 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.140 -0.477 -14.396 1.00 0.00 H new ATOM 661 N ARG A 44 0.725 6.552 -12.358 1.00 0.00 N ATOM 662 CA ARG A 44 0.818 8.006 -12.323 1.00 0.00 C ATOM 663 C ARG A 44 -0.409 8.645 -12.968 1.00 0.00 C ATOM 664 O ARG A 44 -0.683 8.434 -14.149 1.00 0.00 O ATOM 665 CB ARG A 44 2.086 8.475 -13.038 1.00 0.00 C ATOM 666 CG ARG A 44 2.432 9.932 -12.774 1.00 0.00 C ATOM 667 CD ARG A 44 3.929 10.175 -12.873 1.00 0.00 C ATOM 668 NE ARG A 44 4.280 11.559 -12.565 1.00 0.00 N ATOM 669 CZ ARG A 44 5.384 12.153 -13.005 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.239 11.487 -13.768 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.633 13.416 -12.682 1.00 0.00 N ATOM 0 H ARG A 44 0.979 6.135 -13.253 1.00 0.00 H new ATOM 0 HA ARG A 44 0.862 8.317 -11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.922 7.850 -12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.963 8.328 -14.111 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.911 10.567 -13.491 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.081 10.217 -11.782 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.451 9.507 -12.187 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.270 9.930 -13.879 1.00 0.00 H new ATOM 0 HE ARG A 44 3.643 12.099 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.050 10.516 -14.019 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.086 11.945 -14.105 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.977 13.931 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.481 13.871 -13.020 1.00 0.00 H new ATOM 685 N VAL A 45 -1.144 9.427 -12.183 1.00 0.00 N ATOM 686 CA VAL A 45 -2.341 10.097 -12.677 1.00 0.00 C ATOM 687 C VAL A 45 -2.058 11.559 -13.001 1.00 0.00 C ATOM 688 O VAL A 45 -1.630 12.327 -12.139 1.00 0.00 O ATOM 689 CB VAL A 45 -3.489 10.023 -11.653 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.351 11.126 -10.615 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.835 10.106 -12.356 1.00 0.00 C ATOM 0 H VAL A 45 -0.931 9.612 -11.203 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.642 9.577 -13.587 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.432 9.064 -11.138 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.171 11.058 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.402 11.015 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.381 12.097 -11.110 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.635 10.052 -11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.905 11.049 -12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.931 9.276 -13.056 1.00 0.00 H new ATOM 701 N THR A 46 -2.299 11.940 -14.252 1.00 0.00 N ATOM 702 CA THR A 46 -2.070 13.311 -14.691 1.00 0.00 C ATOM 703 C THR A 46 -3.353 13.939 -15.224 1.00 0.00 C ATOM 704 O THR A 46 -3.822 13.593 -16.308 1.00 0.00 O ATOM 705 CB THR A 46 -0.987 13.376 -15.785 1.00 0.00 C ATOM 706 OG1 THR A 46 0.262 12.907 -15.266 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.825 14.798 -16.302 1.00 0.00 C ATOM 0 H THR A 46 -2.653 11.318 -14.979 1.00 0.00 H new ATOM 0 HA THR A 46 -1.730 13.870 -13.819 1.00 0.00 H new ATOM 0 HB THR A 46 -1.299 12.738 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.945 12.950 -15.968 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.055 14.819 -17.073 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.770 15.142 -16.723 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.534 15.453 -15.481 1.00 0.00 H new ATOM 715 N VAL A 47 -3.916 14.866 -14.455 1.00 0.00 N ATOM 716 CA VAL A 47 -5.144 15.545 -14.851 1.00 0.00 C ATOM 717 C VAL A 47 -4.920 17.046 -14.997 1.00 0.00 C ATOM 718 O VAL A 47 -4.844 17.772 -14.007 1.00 0.00 O ATOM 719 CB VAL A 47 -6.273 15.302 -13.831 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.492 16.144 -14.174 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.633 13.825 -13.777 1.00 0.00 C ATOM 0 H VAL A 47 -3.541 15.164 -13.554 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.439 15.130 -15.815 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.919 15.602 -12.845 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.279 15.959 -13.443 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.221 17.200 -14.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.850 15.877 -15.168 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.432 13.672 -13.052 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.968 13.496 -14.761 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.757 13.248 -13.480 1.00 0.00 H new ATOM 731 N GLY A 48 -4.816 17.505 -16.240 1.00 0.00 N ATOM 732 CA GLY A 48 -4.602 18.918 -16.494 1.00 0.00 C ATOM 733 C GLY A 48 -3.246 19.395 -16.011 1.00 0.00 C ATOM 734 O GLY A 48 -2.261 19.333 -16.746 1.00 0.00 O ATOM 0 H GLY A 48 -4.876 16.924 -17.076 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.691 19.109 -17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.384 19.495 -16.000 1.00 0.00 H new ATOM 738 N ASP A 49 -3.196 19.872 -14.772 1.00 0.00 N ATOM 739 CA ASP A 49 -1.951 20.362 -14.192 1.00 0.00 C ATOM 740 C ASP A 49 -1.548 19.524 -12.983 1.00 0.00 C ATOM 741 O ASP A 49 -0.378 19.490 -12.602 1.00 0.00 O ATOM 742 CB ASP A 49 -2.097 21.830 -13.784 1.00 0.00 C ATOM 743 CG ASP A 49 -2.205 22.755 -14.981 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.407 22.594 -15.929 1.00 0.00 O ATOM 745 OD2 ASP A 49 -3.087 23.638 -14.969 1.00 0.00 O ATOM 0 H ASP A 49 -4.003 19.930 -14.150 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.169 20.278 -14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.983 21.944 -13.159 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.240 22.123 -13.178 1.00 0.00 H new ATOM 750 N ILE A 50 -2.524 18.850 -12.385 1.00 0.00 N ATOM 751 CA ILE A 50 -2.271 18.011 -11.220 1.00 0.00 C ATOM 752 C ILE A 50 -1.750 16.639 -11.633 1.00 0.00 C ATOM 753 O ILE A 50 -2.345 15.964 -12.474 1.00 0.00 O ATOM 754 CB ILE A 50 -3.541 17.831 -10.368 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.170 19.191 -10.056 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.216 17.084 -9.083 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.650 19.118 -9.753 1.00 0.00 C ATOM 0 H ILE A 50 -3.498 18.868 -12.688 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.514 18.520 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.260 17.241 -10.936 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.654 19.633 -9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.014 19.858 -10.904 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.124 16.965 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.810 16.102 -9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.481 17.649 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.028 20.118 -9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.178 18.705 -10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.813 18.478 -8.886 1.00 0.00 H new ATOM 769 N THR A 51 -0.636 16.229 -11.034 1.00 0.00 N ATOM 770 CA THR A 51 -0.035 14.937 -11.338 1.00 0.00 C ATOM 771 C THR A 51 0.354 14.198 -10.063 1.00 0.00 C ATOM 772 O THR A 51 1.187 14.672 -9.289 1.00 0.00 O ATOM 773 CB THR A 51 1.211 15.093 -12.229 1.00 0.00 C ATOM 774 OG1 THR A 51 0.818 15.333 -13.585 1.00 0.00 O ATOM 775 CG2 THR A 51 2.084 13.849 -12.162 1.00 0.00 C ATOM 0 H THR A 51 -0.132 16.774 -10.335 1.00 0.00 H new ATOM 0 HA THR A 51 -0.786 14.358 -11.875 1.00 0.00 H new ATOM 0 HB THR A 51 1.787 15.943 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.711 14.477 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.958 13.983 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.407 13.686 -11.134 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.514 12.986 -12.505 1.00 0.00 H new ATOM 783 N CYS A 52 -0.251 13.035 -9.851 1.00 0.00 N ATOM 784 CA CYS A 52 0.034 12.229 -8.669 1.00 0.00 C ATOM 785 C CYS A 52 0.414 10.805 -9.060 1.00 0.00 C ATOM 786 O CYS A 52 0.339 10.429 -10.230 1.00 0.00 O ATOM 787 CB CYS A 52 -1.179 12.208 -7.737 1.00 0.00 C ATOM 788 SG CYS A 52 -1.444 13.753 -6.835 1.00 0.00 S ATOM 0 H CYS A 52 -0.942 12.629 -10.482 1.00 0.00 H new ATOM 0 HA CYS A 52 0.878 12.680 -8.147 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.070 11.985 -8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.058 11.397 -7.019 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.537 13.502 -5.563 1.00 0.00 H new ATOM 794 N THR A 53 0.825 10.016 -8.072 1.00 0.00 N ATOM 795 CA THR A 53 1.221 8.634 -8.312 1.00 0.00 C ATOM 796 C THR A 53 0.764 7.725 -7.177 1.00 0.00 C ATOM 797 O THR A 53 0.764 8.123 -6.013 1.00 0.00 O ATOM 798 CB THR A 53 2.747 8.506 -8.473 1.00 0.00 C ATOM 799 OG1 THR A 53 3.397 8.786 -7.228 1.00 0.00 O ATOM 800 CG2 THR A 53 3.260 9.458 -9.543 1.00 0.00 C ATOM 0 H THR A 53 0.892 10.311 -7.098 1.00 0.00 H new ATOM 0 HA THR A 53 0.738 8.325 -9.239 1.00 0.00 H new ATOM 0 HB THR A 53 2.973 7.484 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.367 8.701 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.340 9.350 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.786 9.224 -10.496 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.022 10.484 -9.262 1.00 0.00 H new ATOM 808 N GLY A 54 0.374 6.502 -7.524 1.00 0.00 N ATOM 809 CA GLY A 54 -0.080 5.556 -6.521 1.00 0.00 C ATOM 810 C GLY A 54 0.765 4.298 -6.487 1.00 0.00 C ATOM 811 O GLY A 54 0.535 3.368 -7.260 1.00 0.00 O ATOM 0 H GLY A 54 0.364 6.150 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.058 6.032 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.117 5.288 -6.722 1.00 0.00 H new ATOM 815 N GLU A 55 1.745 4.269 -5.589 1.00 0.00 N ATOM 816 CA GLU A 55 2.628 3.115 -5.460 1.00 0.00 C ATOM 817 C GLU A 55 2.341 2.352 -4.171 1.00 0.00 C ATOM 818 O GLU A 55 1.972 2.942 -3.156 1.00 0.00 O ATOM 819 CB GLU A 55 4.092 3.560 -5.488 1.00 0.00 C ATOM 820 CG GLU A 55 5.072 2.447 -5.160 1.00 0.00 C ATOM 821 CD GLU A 55 6.482 2.958 -4.934 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.181 3.231 -5.932 1.00 0.00 O ATOM 823 OE2 GLU A 55 6.885 3.086 -3.759 1.00 0.00 O ATOM 0 H GLU A 55 1.947 5.030 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 55 2.442 2.451 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.324 3.957 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.229 4.375 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.733 1.921 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.078 1.722 -5.974 1.00 0.00 H new ATOM 830 N GLY A 56 2.513 1.034 -4.218 1.00 0.00 N ATOM 831 CA GLY A 56 2.268 0.211 -3.049 1.00 0.00 C ATOM 832 C GLY A 56 1.683 -1.141 -3.404 1.00 0.00 C ATOM 833 O GLY A 56 2.122 -2.171 -2.891 1.00 0.00 O ATOM 0 H GLY A 56 2.818 0.522 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.203 0.068 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.587 0.733 -2.377 1.00 0.00 H new ATOM 837 N THR A 57 0.686 -1.140 -4.284 1.00 0.00 N ATOM 838 CA THR A 57 0.038 -2.376 -4.705 1.00 0.00 C ATOM 839 C THR A 57 -0.148 -2.411 -6.218 1.00 0.00 C ATOM 840 O THR A 57 0.268 -1.494 -6.926 1.00 0.00 O ATOM 841 CB THR A 57 -1.334 -2.550 -4.026 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.336 -1.897 -2.752 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.665 -4.024 -3.847 1.00 0.00 C ATOM 0 H THR A 57 0.310 -0.297 -4.719 1.00 0.00 H new ATOM 0 HA THR A 57 0.691 -3.195 -4.403 1.00 0.00 H new ATOM 0 HB THR A 57 -2.092 -2.099 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.455 -2.563 -2.043 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.638 -4.123 -3.366 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.691 -4.512 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.903 -4.495 -3.226 1.00 0.00 H new ATOM 851 N SER A 58 -0.777 -3.475 -6.708 1.00 0.00 N ATOM 852 CA SER A 58 -1.016 -3.631 -8.138 1.00 0.00 C ATOM 853 C SER A 58 -2.308 -2.933 -8.552 1.00 0.00 C ATOM 854 O SER A 58 -3.005 -2.348 -7.723 1.00 0.00 O ATOM 855 CB SER A 58 -1.084 -5.114 -8.506 1.00 0.00 C ATOM 856 OG SER A 58 -0.089 -5.855 -7.822 1.00 0.00 O ATOM 0 H SER A 58 -1.130 -4.242 -6.135 1.00 0.00 H new ATOM 0 HA SER A 58 -0.186 -3.169 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.070 -5.508 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.954 -5.231 -9.582 1.00 0.00 H new ATOM 0 HG SER A 58 0.499 -5.241 -7.334 1.00 0.00 H new ATOM 862 N LYS A 59 -2.620 -2.997 -9.842 1.00 0.00 N ATOM 863 CA LYS A 59 -3.828 -2.374 -10.369 1.00 0.00 C ATOM 864 C LYS A 59 -4.960 -2.430 -9.348 1.00 0.00 C ATOM 865 O LYS A 59 -5.798 -1.530 -9.285 1.00 0.00 O ATOM 866 CB LYS A 59 -4.261 -3.066 -11.664 1.00 0.00 C ATOM 867 CG LYS A 59 -3.097 -3.526 -12.525 1.00 0.00 C ATOM 868 CD LYS A 59 -2.746 -4.980 -12.257 1.00 0.00 C ATOM 869 CE LYS A 59 -1.478 -5.391 -12.989 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.745 -5.722 -14.417 1.00 0.00 N ATOM 0 H LYS A 59 -2.052 -3.474 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.604 -1.328 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.882 -3.927 -11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.882 -2.382 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.350 -3.400 -13.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.228 -2.899 -12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.615 -5.132 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.572 -5.619 -12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.748 -4.583 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.036 -6.255 -12.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.856 -5.997 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.422 -6.510 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.144 -4.890 -14.897 1.00 0.00 H new ATOM 884 N LYS A 60 -4.977 -3.491 -8.548 1.00 0.00 N ATOM 885 CA LYS A 60 -6.004 -3.664 -7.528 1.00 0.00 C ATOM 886 C LYS A 60 -6.164 -2.394 -6.697 1.00 0.00 C ATOM 887 O LYS A 60 -7.162 -1.683 -6.819 1.00 0.00 O ATOM 888 CB LYS A 60 -5.652 -4.841 -6.616 1.00 0.00 C ATOM 889 CG LYS A 60 -6.156 -6.179 -7.129 1.00 0.00 C ATOM 890 CD LYS A 60 -5.124 -6.862 -8.010 1.00 0.00 C ATOM 891 CE LYS A 60 -5.229 -8.377 -7.920 1.00 0.00 C ATOM 892 NZ LYS A 60 -4.368 -8.930 -6.839 1.00 0.00 N ATOM 0 H LYS A 60 -4.290 -4.244 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.949 -3.871 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.569 -4.890 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.070 -4.660 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.400 -6.825 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.076 -6.030 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.262 -6.548 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.124 -6.547 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.266 -8.659 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.942 -8.818 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.468 -9.965 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.375 -8.683 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.658 -8.529 -5.924 1.00 0.00 H new ATOM 906 N LEU A 61 -5.176 -2.115 -5.855 1.00 0.00 N ATOM 907 CA LEU A 61 -5.207 -0.930 -5.005 1.00 0.00 C ATOM 908 C LEU A 61 -4.485 0.237 -5.671 1.00 0.00 C ATOM 909 O LEU A 61 -5.037 1.329 -5.800 1.00 0.00 O ATOM 910 CB LEU A 61 -4.567 -1.233 -3.649 1.00 0.00 C ATOM 911 CG LEU A 61 -3.860 -0.063 -2.963 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.682 1.209 -3.097 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.601 -0.381 -1.498 1.00 0.00 C ATOM 0 H LEU A 61 -4.343 -2.693 -5.742 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.249 -0.650 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.342 -1.606 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.846 -2.039 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.900 0.095 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.164 2.031 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.816 1.446 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.657 1.063 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.097 0.463 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.549 -0.567 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.971 -1.267 -1.424 1.00 0.00 H new ATOM 925 N ALA A 62 -3.248 -0.003 -6.095 1.00 0.00 N ATOM 926 CA ALA A 62 -2.453 1.026 -6.752 1.00 0.00 C ATOM 927 C ALA A 62 -3.337 1.976 -7.552 1.00 0.00 C ATOM 928 O ALA A 62 -3.269 3.194 -7.384 1.00 0.00 O ATOM 929 CB ALA A 62 -1.407 0.388 -7.654 1.00 0.00 C ATOM 0 H ALA A 62 -2.775 -0.901 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.947 1.607 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.820 1.168 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.749 -0.244 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.902 -0.218 -8.413 1.00 0.00 H new ATOM 935 N LYS A 63 -4.165 1.412 -8.424 1.00 0.00 N ATOM 936 CA LYS A 63 -5.064 2.208 -9.252 1.00 0.00 C ATOM 937 C LYS A 63 -5.981 3.068 -8.387 1.00 0.00 C ATOM 938 O LYS A 63 -6.031 4.289 -8.541 1.00 0.00 O ATOM 939 CB LYS A 63 -5.901 1.298 -10.153 1.00 0.00 C ATOM 940 CG LYS A 63 -6.286 1.939 -11.476 1.00 0.00 C ATOM 941 CD LYS A 63 -5.246 1.667 -12.550 1.00 0.00 C ATOM 942 CE LYS A 63 -5.626 2.319 -13.871 1.00 0.00 C ATOM 943 NZ LYS A 63 -5.096 1.560 -15.037 1.00 0.00 N ATOM 0 H LYS A 63 -4.233 0.406 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.458 2.866 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.342 0.383 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.808 1.009 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.254 1.555 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.399 3.015 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.277 2.043 -12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.140 0.591 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.712 2.386 -13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.242 3.339 -13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.288 2.089 -15.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.070 1.430 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.559 0.630 -15.086 1.00 0.00 H new ATOM 957 N HIS A 64 -6.704 2.423 -7.477 1.00 0.00 N ATOM 958 CA HIS A 64 -7.618 3.130 -6.586 1.00 0.00 C ATOM 959 C HIS A 64 -6.949 4.365 -5.990 1.00 0.00 C ATOM 960 O HIS A 64 -7.526 5.452 -5.983 1.00 0.00 O ATOM 961 CB HIS A 64 -8.092 2.202 -5.467 1.00 0.00 C ATOM 962 CG HIS A 64 -9.468 2.520 -4.968 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.614 2.035 -5.560 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.877 3.278 -3.924 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.670 2.482 -4.904 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.250 3.239 -3.906 1.00 0.00 N ATOM 0 H HIS A 64 -6.675 1.413 -7.337 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.480 3.452 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.074 1.173 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.390 2.261 -4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.242 3.814 -3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.701 2.266 -5.143 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.848 3.717 -3.232 1.00 0.00 H new ATOM 974 N ARG A 65 -5.730 4.189 -5.491 1.00 0.00 N ATOM 975 CA ARG A 65 -4.985 5.289 -4.891 1.00 0.00 C ATOM 976 C ARG A 65 -4.676 6.365 -5.928 1.00 0.00 C ATOM 977 O ARG A 65 -4.917 7.550 -5.698 1.00 0.00 O ATOM 978 CB ARG A 65 -3.684 4.774 -4.272 1.00 0.00 C ATOM 979 CG ARG A 65 -3.825 4.356 -2.817 1.00 0.00 C ATOM 980 CD ARG A 65 -2.575 3.650 -2.317 1.00 0.00 C ATOM 981 NE ARG A 65 -2.388 3.823 -0.879 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.457 3.186 -0.177 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.633 2.338 -0.778 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.349 3.396 1.129 1.00 0.00 N ATOM 0 H ARG A 65 -5.238 3.296 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.603 5.729 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.327 3.923 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.924 5.552 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.019 5.235 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.685 3.695 -2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.642 2.587 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.704 4.037 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.006 4.468 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.713 2.174 -1.781 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.081 1.850 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.981 4.047 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.634 2.906 1.667 1.00 0.00 H new ATOM 998 N ALA A 66 -4.141 5.944 -7.069 1.00 0.00 N ATOM 999 CA ALA A 66 -3.800 6.871 -8.141 1.00 0.00 C ATOM 1000 C ALA A 66 -4.948 7.835 -8.418 1.00 0.00 C ATOM 1001 O ALA A 66 -4.752 9.049 -8.477 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.434 6.106 -9.404 1.00 0.00 C ATOM 0 H ALA A 66 -3.934 4.967 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.938 7.456 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.182 6.811 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.577 5.463 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.281 5.495 -9.718 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.147 7.287 -8.589 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.327 8.099 -8.859 1.00 0.00 C ATOM 1010 C ALA A 67 -7.756 8.874 -7.618 1.00 0.00 C ATOM 1011 O ALA A 67 -8.248 9.997 -7.716 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.467 7.224 -9.358 1.00 0.00 C ATOM 0 H ALA A 67 -6.326 6.284 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.071 8.820 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.342 7.844 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.164 6.720 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.713 6.480 -8.600 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.568 8.264 -6.451 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.938 8.898 -5.191 1.00 0.00 C ATOM 1020 C GLU A 68 -7.193 10.216 -5.005 1.00 0.00 C ATOM 1021 O GLU A 68 -7.791 11.237 -4.668 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.641 7.962 -4.018 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.805 7.056 -3.652 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.658 6.445 -2.272 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.764 5.592 -2.092 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.438 6.821 -1.372 1.00 0.00 O ATOM 0 H GLU A 68 -7.162 7.333 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.007 9.107 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.776 7.346 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.369 8.559 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.732 7.627 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.886 6.259 -4.391 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.883 10.185 -5.227 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.055 11.376 -5.086 1.00 0.00 C ATOM 1035 C ALA A 69 -5.654 12.554 -5.848 1.00 0.00 C ATOM 1036 O ALA A 69 -6.091 13.535 -5.248 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.640 11.096 -5.570 1.00 0.00 C ATOM 0 H ALA A 69 -5.372 9.347 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.019 11.641 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.033 11.994 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.206 10.289 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.666 10.803 -6.620 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.669 12.449 -7.173 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.215 13.505 -8.016 1.00 0.00 C ATOM 1045 C ALA A 70 -7.470 14.109 -7.396 1.00 0.00 C ATOM 1046 O ALA A 70 -7.474 15.270 -6.985 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.517 12.967 -9.407 1.00 0.00 C ATOM 0 H ALA A 70 -5.309 11.644 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.467 14.294 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.924 13.767 -10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.599 12.590 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.244 12.158 -9.334 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.534 13.315 -7.332 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.795 13.772 -6.762 1.00 0.00 C ATOM 1055 C ILE A 71 -9.557 14.688 -5.566 1.00 0.00 C ATOM 1056 O ILE A 71 -9.820 15.888 -5.628 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.675 12.588 -6.320 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.951 11.660 -7.505 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.979 13.093 -5.720 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.771 10.442 -7.140 1.00 0.00 C ATOM 0 H ILE A 71 -8.547 12.352 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.313 14.327 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.142 12.022 -5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.473 12.220 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.002 11.335 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.590 12.245 -5.412 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.763 13.718 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.519 13.679 -6.464 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.928 9.830 -8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.241 9.859 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.735 10.758 -6.742 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.055 14.113 -4.477 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.780 14.878 -3.267 1.00 0.00 C ATOM 1074 C ASN A 72 -8.205 16.250 -3.608 1.00 0.00 C ATOM 1075 O ASN A 72 -8.510 17.243 -2.948 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.808 14.115 -2.366 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.521 13.204 -1.385 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -8.798 13.592 -0.250 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.821 11.986 -1.820 1.00 0.00 N ATOM 0 H ASN A 72 -8.831 13.120 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.721 15.021 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.134 13.522 -2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.193 14.827 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.301 11.329 -1.205 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.572 11.708 -2.769 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.373 16.295 -4.643 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.757 17.544 -5.074 1.00 0.00 C ATOM 1088 C ILE A 73 -7.727 18.378 -5.903 1.00 0.00 C ATOM 1089 O ILE A 73 -7.728 19.607 -5.828 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.483 17.287 -5.899 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.420 16.602 -5.038 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -4.949 18.593 -6.469 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.465 15.737 -5.830 1.00 0.00 C ATOM 0 H ILE A 73 -7.110 15.481 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.491 18.093 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.733 16.626 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.851 17.363 -4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.914 15.988 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.048 18.395 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.704 19.045 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.712 19.276 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.739 15.283 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.023 14.953 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.943 16.350 -6.565 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.555 17.702 -6.693 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.533 18.381 -7.536 1.00 0.00 C ATOM 1107 C LEU A 74 -10.566 19.116 -6.688 1.00 0.00 C ATOM 1108 O LEU A 74 -11.132 20.123 -7.114 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.231 17.374 -8.452 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.503 17.033 -9.752 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.031 16.762 -9.484 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.153 15.835 -10.429 1.00 0.00 C ATOM 0 H LEU A 74 -8.568 16.685 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.005 19.113 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.386 16.451 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.217 17.764 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.578 17.889 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.529 16.521 -10.421 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.572 17.647 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.935 15.923 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.622 15.607 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.110 14.973 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.194 16.066 -10.657 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.805 18.607 -5.484 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.767 19.217 -4.573 1.00 0.00 C ATOM 1126 C LYS A 75 -11.162 20.429 -3.874 1.00 0.00 C ATOM 1127 O LYS A 75 -11.628 21.555 -4.048 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.234 18.195 -3.534 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.696 16.880 -4.137 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.491 15.722 -3.175 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.611 15.645 -2.149 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.549 14.388 -1.354 1.00 0.00 N ATOM 0 H LYS A 75 -10.346 17.774 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.624 19.549 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.418 17.999 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.051 18.626 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.751 16.951 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.147 16.689 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.443 14.787 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.535 15.837 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.549 16.502 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.574 15.707 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.329 14.374 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.634 13.570 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.641 14.341 -0.849 1.00 0.00 H new