USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=19 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= 0.0112 USER MOD Set 1.2: A 51 THR OG1 : rot -80:sc= -0.145 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.7) USER MOD Set 2.2: A 19 MET CE :methyl -139:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0767) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.481 USER MOD Single : A 12 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.7) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= -0.58 (180deg=-0.619) USER MOD Single : A 21 THR OG1 : rot -2:sc= 0.646 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0318) USER MOD Single : A 23 ASN : amide:sc= -4.38! C(o=-4.4!,f=-4.7!) USER MOD Single : A 27 TYR OH : rot 90:sc= -0.63 USER MOD Single : A 29 CYS SG : rot 31:sc= 0.152 USER MOD Single : A 32 SER OG : rot -124:sc= 1.64 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 37 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-3.7!) USER MOD Single : A 40 THR OG1 : rot 23:sc= 0.234 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -120:sc= -1.14 USER MOD Single : A 53 THR OG1 : rot 22:sc= 0.217 USER MOD Single : A 57 THR OG1 : rot -121:sc= -4.87! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.639) 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= -6.71! C(o=-6.7!,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.682 6.601 -4.697 1.00 0.00 N ATOM 67 CA LYS A 8 -19.028 6.403 -5.985 1.00 0.00 C ATOM 68 C LYS A 8 -17.536 6.141 -5.803 1.00 0.00 C ATOM 69 O LYS A 8 -16.881 6.770 -4.971 1.00 0.00 O ATOM 70 CB LYS A 8 -19.236 7.626 -6.880 1.00 0.00 C ATOM 71 CG LYS A 8 -20.634 7.719 -7.468 1.00 0.00 C ATOM 72 CD LYS A 8 -20.763 6.887 -8.733 1.00 0.00 C ATOM 73 CE LYS A 8 -22.180 6.928 -9.284 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.553 8.290 -9.755 1.00 0.00 N ATOM 0 HA LYS A 8 -19.477 5.532 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.033 8.528 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.510 7.599 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.363 7.379 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.868 8.760 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.068 7.258 -9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.483 5.855 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.269 6.221 -10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.879 6.607 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.470 8.249 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.624 8.932 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.826 8.642 -10.410 1.00 0.00 H new ATOM 88 N THR A 9 -17.003 5.209 -6.588 1.00 0.00 N ATOM 89 CA THR A 9 -15.589 4.865 -6.513 1.00 0.00 C ATOM 90 C THR A 9 -14.717 6.009 -7.018 1.00 0.00 C ATOM 91 O THR A 9 -15.140 6.831 -7.831 1.00 0.00 O ATOM 92 CB THR A 9 -15.276 3.597 -7.330 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.913 3.954 -8.668 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.474 2.660 -7.356 1.00 0.00 C ATOM 0 H THR A 9 -17.530 4.679 -7.283 1.00 0.00 H new ATOM 0 HA THR A 9 -15.365 4.677 -5.463 1.00 0.00 H new ATOM 0 HB THR A 9 -14.442 3.081 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.714 3.143 -9.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.229 1.772 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.729 2.367 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.324 3.169 -7.810 1.00 0.00 H new ATOM 102 N PRO A 10 -13.470 6.065 -6.527 1.00 0.00 N ATOM 103 CA PRO A 10 -12.512 7.104 -6.916 1.00 0.00 C ATOM 104 C PRO A 10 -12.042 6.949 -8.358 1.00 0.00 C ATOM 105 O PRO A 10 -11.443 7.861 -8.927 1.00 0.00 O ATOM 106 CB PRO A 10 -11.346 6.891 -5.948 1.00 0.00 C ATOM 107 CG PRO A 10 -11.434 5.456 -5.557 1.00 0.00 C ATOM 108 CD PRO A 10 -12.899 5.118 -5.555 1.00 0.00 C ATOM 0 HA PRO A 10 -12.949 8.101 -6.866 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.391 7.114 -6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.429 7.544 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.889 4.826 -6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.994 5.292 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.073 4.084 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.339 5.244 -4.566 1.00 0.00 H new ATOM 116 N ILE A 11 -12.319 5.788 -8.944 1.00 0.00 N ATOM 117 CA ILE A 11 -11.925 5.516 -10.320 1.00 0.00 C ATOM 118 C ILE A 11 -13.019 5.931 -11.298 1.00 0.00 C ATOM 119 O ILE A 11 -12.736 6.364 -12.414 1.00 0.00 O ATOM 120 CB ILE A 11 -11.606 4.023 -10.529 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.524 3.569 -9.548 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.167 3.771 -11.964 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.132 4.018 -9.933 1.00 0.00 C ATOM 0 H ILE A 11 -12.814 5.022 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.027 6.103 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.509 3.443 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.760 3.954 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.540 2.481 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.945 2.712 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.966 4.062 -12.645 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.274 4.358 -12.180 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.417 3.660 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.876 3.611 -10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.099 5.107 -9.973 1.00 0.00 H new ATOM 135 N GLN A 12 -14.270 5.798 -10.868 1.00 0.00 N ATOM 136 CA GLN A 12 -15.407 6.162 -11.706 1.00 0.00 C ATOM 137 C GLN A 12 -15.646 7.668 -11.676 1.00 0.00 C ATOM 138 O GLN A 12 -16.014 8.268 -12.686 1.00 0.00 O ATOM 139 CB GLN A 12 -16.665 5.425 -11.242 1.00 0.00 C ATOM 140 CG GLN A 12 -16.752 3.993 -11.745 1.00 0.00 C ATOM 141 CD GLN A 12 -16.290 3.851 -13.182 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.976 4.276 -14.112 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.122 3.249 -13.372 1.00 0.00 N ATOM 0 H GLN A 12 -14.522 5.442 -9.946 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.179 5.869 -12.731 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.692 5.421 -10.152 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.543 5.974 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.145 3.350 -11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.781 3.645 -11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.586 2.912 -12.572 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.761 3.124 -14.318 1.00 0.00 H new ATOM 152 N VAL A 13 -15.434 8.273 -10.512 1.00 0.00 N ATOM 153 CA VAL A 13 -15.626 9.709 -10.351 1.00 0.00 C ATOM 154 C VAL A 13 -14.561 10.494 -11.110 1.00 0.00 C ATOM 155 O VAL A 13 -14.872 11.260 -12.023 1.00 0.00 O ATOM 156 CB VAL A 13 -15.587 10.118 -8.866 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.646 11.631 -8.727 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.727 9.459 -8.103 1.00 0.00 C ATOM 0 H VAL A 13 -15.129 7.791 -9.666 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.609 9.945 -10.760 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.646 9.775 -8.437 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.617 11.901 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.793 12.077 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.570 12.001 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.685 9.758 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.680 9.771 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.634 8.375 -8.175 1.00 0.00 H new ATOM 168 N LEU A 14 -13.305 10.298 -10.727 1.00 0.00 N ATOM 169 CA LEU A 14 -12.192 10.987 -11.372 1.00 0.00 C ATOM 170 C LEU A 14 -12.345 10.967 -12.890 1.00 0.00 C ATOM 171 O LEU A 14 -12.512 12.010 -13.522 1.00 0.00 O ATOM 172 CB LEU A 14 -10.865 10.340 -10.973 1.00 0.00 C ATOM 173 CG LEU A 14 -9.650 11.267 -10.937 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.363 10.459 -10.869 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.642 12.183 -12.152 1.00 0.00 C ATOM 0 H LEU A 14 -13.031 9.668 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.197 12.025 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.984 9.892 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.656 9.527 -11.669 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.715 11.884 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.509 11.136 -10.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.366 9.845 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.290 9.816 -11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.770 12.836 -12.110 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.602 11.582 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.549 12.788 -12.157 1.00 0.00 H new ATOM 187 N HIS A 15 -12.289 9.771 -13.469 1.00 0.00 N ATOM 188 CA HIS A 15 -12.425 9.614 -14.912 1.00 0.00 C ATOM 189 C HIS A 15 -13.669 10.334 -15.423 1.00 0.00 C ATOM 190 O HIS A 15 -13.572 11.351 -16.108 1.00 0.00 O ATOM 191 CB HIS A 15 -12.491 8.132 -15.281 1.00 0.00 C ATOM 192 CG HIS A 15 -12.512 7.882 -16.758 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.428 8.119 -17.577 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.494 7.413 -17.563 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.743 7.807 -18.821 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.991 7.376 -18.840 1.00 0.00 N ATOM 0 H HIS A 15 -12.150 8.898 -12.961 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.550 10.060 -15.385 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.633 7.619 -14.846 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.384 7.694 -14.834 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.488 7.122 -17.258 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.090 7.890 -19.678 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.499 7.066 -19.669 1.00 0.00 H new ATOM 204 N GLU A 16 -14.838 9.797 -15.085 1.00 0.00 N ATOM 205 CA GLU A 16 -16.101 10.388 -15.512 1.00 0.00 C ATOM 206 C GLU A 16 -16.042 11.911 -15.434 1.00 0.00 C ATOM 207 O GLU A 16 -16.565 12.608 -16.305 1.00 0.00 O ATOM 208 CB GLU A 16 -17.251 9.867 -14.648 1.00 0.00 C ATOM 209 CG GLU A 16 -17.565 8.397 -14.874 1.00 0.00 C ATOM 210 CD GLU A 16 -18.606 7.868 -13.908 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.450 8.085 -12.689 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.578 7.235 -14.373 1.00 0.00 O ATOM 0 H GLU A 16 -14.936 8.955 -14.518 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.276 10.100 -16.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.003 10.020 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.145 10.456 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.919 8.258 -15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.650 7.814 -14.771 1.00 0.00 H new ATOM 219 N TYR A 17 -15.404 12.420 -14.387 1.00 0.00 N ATOM 220 CA TYR A 17 -15.279 13.860 -14.193 1.00 0.00 C ATOM 221 C TYR A 17 -14.390 14.479 -15.267 1.00 0.00 C ATOM 222 O TYR A 17 -14.821 15.351 -16.020 1.00 0.00 O ATOM 223 CB TYR A 17 -14.709 14.162 -12.806 1.00 0.00 C ATOM 224 CG TYR A 17 -14.013 15.501 -12.716 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.742 16.682 -12.642 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.626 15.586 -12.703 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.111 17.908 -12.561 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.986 16.808 -12.620 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.733 17.966 -12.550 1.00 0.00 C ATOM 230 OH TYR A 17 -12.100 19.185 -12.467 1.00 0.00 O ATOM 0 H TYR A 17 -14.965 11.857 -13.659 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.273 14.299 -14.273 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.518 14.132 -12.076 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.004 13.377 -12.533 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.821 16.640 -12.648 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.038 14.682 -12.759 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.693 18.816 -12.507 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.907 16.856 -12.610 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.129 19.050 -12.470 1.00 0.00 H new ATOM 240 N GLY A 18 -13.143 14.020 -15.331 1.00 0.00 N ATOM 241 CA GLY A 18 -12.211 14.538 -16.315 1.00 0.00 C ATOM 242 C GLY A 18 -12.890 14.904 -17.620 1.00 0.00 C ATOM 243 O GLY A 18 -12.541 15.901 -18.251 1.00 0.00 O ATOM 0 H GLY A 18 -12.762 13.299 -14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.711 15.418 -15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.439 13.793 -16.507 1.00 0.00 H new ATOM 247 N MET A 19 -13.862 14.094 -18.027 1.00 0.00 N ATOM 248 CA MET A 19 -14.591 14.338 -19.266 1.00 0.00 C ATOM 249 C MET A 19 -15.081 15.781 -19.334 1.00 0.00 C ATOM 250 O MET A 19 -14.848 16.481 -20.320 1.00 0.00 O ATOM 251 CB MET A 19 -15.777 13.378 -19.383 1.00 0.00 C ATOM 252 CG MET A 19 -15.368 11.928 -19.584 1.00 0.00 C ATOM 253 SD MET A 19 -16.781 10.810 -19.647 1.00 0.00 S ATOM 254 CE MET A 19 -15.962 9.222 -19.531 1.00 0.00 C ATOM 0 H MET A 19 -14.163 13.263 -17.517 1.00 0.00 H new ATOM 0 HA MET A 19 -13.909 14.165 -20.099 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.385 13.454 -18.482 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.405 13.689 -20.218 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.799 11.840 -20.509 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.706 11.625 -18.773 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.434 8.518 -20.217 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.910 9.335 -19.794 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.043 8.845 -18.512 1.00 0.00 H new ATOM 264 N LYS A 20 -15.760 16.220 -18.280 1.00 0.00 N ATOM 265 CA LYS A 20 -16.283 17.580 -18.219 1.00 0.00 C ATOM 266 C LYS A 20 -15.189 18.597 -18.528 1.00 0.00 C ATOM 267 O LYS A 20 -15.385 19.512 -19.329 1.00 0.00 O ATOM 268 CB LYS A 20 -16.877 17.858 -16.836 1.00 0.00 C ATOM 269 CG LYS A 20 -18.351 17.509 -16.726 1.00 0.00 C ATOM 270 CD LYS A 20 -18.551 16.074 -16.267 1.00 0.00 C ATOM 271 CE LYS A 20 -18.264 15.920 -14.781 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.702 14.592 -14.267 1.00 0.00 N ATOM 0 H LYS A 20 -15.961 15.654 -17.456 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.067 17.676 -18.970 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.321 17.290 -16.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.743 18.913 -16.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.835 18.188 -16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.833 17.653 -17.693 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.575 15.763 -16.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.896 15.414 -16.836 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.196 16.044 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.774 16.710 -14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.444 14.506 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.733 14.504 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.235 13.838 -14.811 1.00 0.00 H new ATOM 286 N THR A 21 -14.035 18.432 -17.889 1.00 0.00 N ATOM 287 CA THR A 21 -12.910 19.335 -18.096 1.00 0.00 C ATOM 288 C THR A 21 -12.101 18.933 -19.324 1.00 0.00 C ATOM 289 O THR A 21 -10.901 19.199 -19.405 1.00 0.00 O ATOM 290 CB THR A 21 -11.980 19.364 -16.869 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.496 18.046 -16.590 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.708 19.912 -15.651 1.00 0.00 C ATOM 0 H THR A 21 -13.855 17.680 -17.223 1.00 0.00 H new ATOM 0 HA THR A 21 -13.327 20.330 -18.249 1.00 0.00 H new ATOM 0 HB THR A 21 -11.138 20.019 -17.094 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.889 17.412 -17.225 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.031 19.923 -14.797 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.049 20.927 -15.857 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.567 19.280 -15.425 1.00 0.00 H new ATOM 300 N LYS A 22 -12.764 18.290 -20.279 1.00 0.00 N ATOM 301 CA LYS A 22 -12.107 17.852 -21.505 1.00 0.00 C ATOM 302 C LYS A 22 -10.711 17.313 -21.212 1.00 0.00 C ATOM 303 O LYS A 22 -9.802 17.438 -22.032 1.00 0.00 O ATOM 304 CB LYS A 22 -12.019 19.009 -22.503 1.00 0.00 C ATOM 305 CG LYS A 22 -13.364 19.640 -22.823 1.00 0.00 C ATOM 306 CD LYS A 22 -14.246 18.695 -23.623 1.00 0.00 C ATOM 307 CE LYS A 22 -15.202 19.457 -24.527 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.509 20.022 -25.718 1.00 0.00 N ATOM 0 H LYS A 22 -13.757 18.060 -20.228 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.703 17.050 -21.940 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.354 19.774 -22.102 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.568 18.647 -23.427 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.869 19.913 -21.896 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.211 20.561 -23.386 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.622 18.035 -24.226 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.814 18.062 -22.942 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.001 18.791 -24.854 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.670 20.264 -23.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.215 20.370 -26.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.896 20.809 -25.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.931 19.283 -26.166 1.00 0.00 H new ATOM 322 N ASN A 23 -10.548 16.712 -20.037 1.00 0.00 N ATOM 323 CA ASN A 23 -9.262 16.153 -19.637 1.00 0.00 C ATOM 324 C ASN A 23 -9.448 14.813 -18.931 1.00 0.00 C ATOM 325 O ASN A 23 -9.986 14.753 -17.825 1.00 0.00 O ATOM 326 CB ASN A 23 -8.522 17.128 -18.718 1.00 0.00 C ATOM 327 CG ASN A 23 -8.404 18.514 -19.322 1.00 0.00 C ATOM 328 OD1 ASN A 23 -8.104 18.663 -20.507 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.639 19.536 -18.508 1.00 0.00 N ATOM 0 H ASN A 23 -11.290 16.600 -19.346 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.668 15.991 -20.537 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.046 17.193 -17.765 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.525 16.740 -18.508 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.574 20.492 -18.858 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.885 19.365 -17.533 1.00 0.00 H new ATOM 336 N ILE A 24 -8.998 13.743 -19.577 1.00 0.00 N ATOM 337 CA ILE A 24 -9.113 12.405 -19.010 1.00 0.00 C ATOM 338 C ILE A 24 -7.866 12.036 -18.215 1.00 0.00 C ATOM 339 O ILE A 24 -6.736 12.292 -18.631 1.00 0.00 O ATOM 340 CB ILE A 24 -9.341 11.347 -20.106 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.546 11.727 -20.969 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.540 9.973 -19.483 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.795 12.020 -20.167 1.00 0.00 C ATOM 0 H ILE A 24 -8.551 13.776 -20.493 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.975 12.418 -18.343 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.458 11.310 -20.744 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.293 12.603 -21.566 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.754 10.915 -21.666 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.700 9.236 -20.270 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.655 9.703 -18.908 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.408 9.994 -18.824 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.609 12.282 -20.843 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.073 11.138 -19.590 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.605 12.852 -19.489 1.00 0.00 H new ATOM 355 N PRO A 25 -8.073 11.417 -17.043 1.00 0.00 N ATOM 356 CA PRO A 25 -6.977 10.997 -16.165 1.00 0.00 C ATOM 357 C PRO A 25 -6.179 9.835 -16.749 1.00 0.00 C ATOM 358 O PRO A 25 -6.706 8.738 -16.932 1.00 0.00 O ATOM 359 CB PRO A 25 -7.694 10.563 -14.884 1.00 0.00 C ATOM 360 CG PRO A 25 -9.062 10.176 -15.330 1.00 0.00 C ATOM 361 CD PRO A 25 -9.393 11.080 -16.485 1.00 0.00 C ATOM 0 HA PRO A 25 -6.249 11.794 -16.013 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.182 9.728 -14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.729 11.373 -14.156 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.092 9.129 -15.633 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.784 10.295 -14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.024 10.579 -17.219 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.930 11.970 -16.158 1.00 0.00 H new ATOM 369 N VAL A 26 -4.906 10.084 -17.038 1.00 0.00 N ATOM 370 CA VAL A 26 -4.035 9.058 -17.600 1.00 0.00 C ATOM 371 C VAL A 26 -3.482 8.150 -16.508 1.00 0.00 C ATOM 372 O VAL A 26 -3.267 8.582 -15.376 1.00 0.00 O ATOM 373 CB VAL A 26 -2.861 9.683 -18.377 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.368 10.716 -19.372 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.857 10.302 -17.417 1.00 0.00 C ATOM 0 H VAL A 26 -4.455 10.987 -16.892 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.642 8.468 -18.287 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.356 8.894 -18.935 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.524 11.146 -19.911 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.045 10.238 -20.080 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.898 11.505 -18.839 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.034 10.739 -17.983 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.346 11.079 -16.830 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.470 9.532 -16.749 1.00 0.00 H new ATOM 385 N TYR A 27 -3.252 6.889 -16.857 1.00 0.00 N ATOM 386 CA TYR A 27 -2.725 5.917 -15.906 1.00 0.00 C ATOM 387 C TYR A 27 -1.575 5.124 -16.519 1.00 0.00 C ATOM 388 O TYR A 27 -1.787 4.254 -17.363 1.00 0.00 O ATOM 389 CB TYR A 27 -3.832 4.964 -15.452 1.00 0.00 C ATOM 390 CG TYR A 27 -4.931 5.642 -14.667 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.904 6.400 -15.307 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.997 5.525 -13.284 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.909 7.022 -14.593 1.00 0.00 C ATOM 394 CE2 TYR A 27 -6.000 6.143 -12.562 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.953 6.891 -13.221 1.00 0.00 C ATOM 396 OH TYR A 27 -7.954 7.508 -12.506 1.00 0.00 O ATOM 0 H TYR A 27 -3.422 6.516 -17.791 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.347 6.461 -15.041 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.267 4.482 -16.328 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.393 4.176 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.874 6.504 -16.382 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.252 4.941 -12.765 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.657 7.608 -15.107 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.037 6.041 -11.487 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.720 6.902 -12.426 1.00 0.00 H new ATOM 406 N GLU A 28 -0.356 5.431 -16.086 1.00 0.00 N ATOM 407 CA GLU A 28 0.829 4.747 -16.592 1.00 0.00 C ATOM 408 C GLU A 28 1.626 4.123 -15.450 1.00 0.00 C ATOM 409 O GLU A 28 1.813 4.739 -14.400 1.00 0.00 O ATOM 410 CB GLU A 28 1.713 5.722 -17.373 1.00 0.00 C ATOM 411 CG GLU A 28 2.776 5.038 -18.216 1.00 0.00 C ATOM 412 CD GLU A 28 3.884 5.983 -18.638 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.609 6.899 -19.442 1.00 0.00 O ATOM 414 OE2 GLU A 28 5.026 5.808 -18.164 1.00 0.00 O ATOM 0 H GLU A 28 -0.163 6.148 -15.387 1.00 0.00 H new ATOM 0 HA GLU A 28 0.501 3.951 -17.260 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.083 6.331 -18.022 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.198 6.401 -16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.205 4.210 -17.651 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.310 4.610 -19.104 1.00 0.00 H new ATOM 421 N CYS A 29 2.092 2.898 -15.663 1.00 0.00 N ATOM 422 CA CYS A 29 2.868 2.189 -14.652 1.00 0.00 C ATOM 423 C CYS A 29 4.355 2.503 -14.788 1.00 0.00 C ATOM 424 O CYS A 29 4.937 2.344 -15.860 1.00 0.00 O ATOM 425 CB CYS A 29 2.641 0.681 -14.770 1.00 0.00 C ATOM 426 SG CYS A 29 3.056 -0.004 -16.391 1.00 0.00 S ATOM 0 H CYS A 29 1.946 2.375 -16.526 1.00 0.00 H new ATOM 0 HA CYS A 29 2.532 2.525 -13.671 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.236 0.174 -14.010 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.595 0.464 -14.553 1.00 0.00 H new ATOM 0 HG CYS A 29 4.023 0.686 -16.919 1.00 0.00 H new ATOM 432 N GLU A 30 4.961 2.953 -13.693 1.00 0.00 N ATOM 433 CA GLU A 30 6.379 3.292 -13.692 1.00 0.00 C ATOM 434 C GLU A 30 7.222 2.107 -13.229 1.00 0.00 C ATOM 435 O GLU A 30 8.022 1.565 -13.993 1.00 0.00 O ATOM 436 CB GLU A 30 6.636 4.499 -12.786 1.00 0.00 C ATOM 437 CG GLU A 30 5.905 5.756 -13.225 1.00 0.00 C ATOM 438 CD GLU A 30 6.489 6.360 -14.488 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.703 6.653 -14.497 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.733 6.540 -15.465 1.00 0.00 O ATOM 0 H GLU A 30 4.493 3.091 -12.797 1.00 0.00 H new ATOM 0 HA GLU A 30 6.667 3.544 -14.713 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.334 4.250 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.707 4.702 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.854 5.521 -13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.944 6.493 -12.423 1.00 0.00 H new ATOM 447 N ARG A 31 7.037 1.710 -11.975 1.00 0.00 N ATOM 448 CA ARG A 31 7.781 0.591 -11.409 1.00 0.00 C ATOM 449 C ARG A 31 6.869 -0.613 -11.191 1.00 0.00 C ATOM 450 O ARG A 31 5.742 -0.473 -10.715 1.00 0.00 O ATOM 451 CB ARG A 31 8.430 0.999 -10.086 1.00 0.00 C ATOM 452 CG ARG A 31 9.672 1.858 -10.257 1.00 0.00 C ATOM 453 CD ARG A 31 10.835 1.051 -10.814 1.00 0.00 C ATOM 454 NE ARG A 31 12.126 1.581 -10.382 1.00 0.00 N ATOM 455 CZ ARG A 31 12.550 1.546 -9.124 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.790 1.010 -8.179 1.00 0.00 N ATOM 457 NH2 ARG A 31 13.737 2.049 -8.809 1.00 0.00 N ATOM 0 H ARG A 31 6.378 2.147 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 31 8.561 0.311 -12.117 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.701 1.544 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.694 0.101 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.451 2.690 -10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.953 2.288 -9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.743 0.014 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.789 1.053 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 31 12.735 2.001 -11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.877 0.623 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.118 0.985 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.324 2.463 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.062 2.022 -7.843 1.00 0.00 H new ATOM 471 N SER A 32 7.364 -1.795 -11.543 1.00 0.00 N ATOM 472 CA SER A 32 6.592 -3.023 -11.390 1.00 0.00 C ATOM 473 C SER A 32 7.444 -4.126 -10.768 1.00 0.00 C ATOM 474 O SER A 32 8.384 -4.623 -11.387 1.00 0.00 O ATOM 475 CB SER A 32 6.052 -3.484 -12.745 1.00 0.00 C ATOM 476 OG SER A 32 5.150 -2.533 -13.285 1.00 0.00 O ATOM 0 H SER A 32 8.296 -1.929 -11.936 1.00 0.00 H new ATOM 0 HA SER A 32 5.754 -2.815 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.880 -3.638 -13.437 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.548 -4.444 -12.632 1.00 0.00 H new ATOM 0 HG SER A 32 4.290 -2.965 -13.468 1.00 0.00 H new ATOM 482 N ASP A 33 7.107 -4.502 -9.539 1.00 0.00 N ATOM 483 CA ASP A 33 7.839 -5.546 -8.832 1.00 0.00 C ATOM 484 C ASP A 33 6.967 -6.782 -8.634 1.00 0.00 C ATOM 485 O ASP A 33 5.892 -6.708 -8.039 1.00 0.00 O ATOM 486 CB ASP A 33 8.327 -5.029 -7.478 1.00 0.00 C ATOM 487 CG ASP A 33 9.307 -5.977 -6.815 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.258 -6.416 -7.494 1.00 0.00 O ATOM 489 OD2 ASP A 33 9.122 -6.279 -5.617 1.00 0.00 O ATOM 0 H ASP A 33 6.332 -4.099 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 33 8.701 -5.825 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.801 -4.057 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.471 -4.877 -6.820 1.00 0.00 H new ATOM 494 N VAL A 34 7.438 -7.919 -9.137 1.00 0.00 N ATOM 495 CA VAL A 34 6.701 -9.172 -9.016 1.00 0.00 C ATOM 496 C VAL A 34 7.458 -10.172 -8.149 1.00 0.00 C ATOM 497 O VAL A 34 8.360 -10.861 -8.624 1.00 0.00 O ATOM 498 CB VAL A 34 6.435 -9.802 -10.396 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.389 -9.001 -11.156 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.727 -9.901 -11.194 1.00 0.00 C ATOM 0 H VAL A 34 8.326 -7.998 -9.632 1.00 0.00 H new ATOM 0 HA VAL A 34 5.747 -8.935 -8.544 1.00 0.00 H new ATOM 0 HB VAL A 34 6.048 -10.810 -10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.214 -9.461 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.458 -8.987 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.744 -7.980 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.521 -10.348 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.145 -8.904 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.442 -10.521 -10.653 1.00 0.00 H new ATOM 510 N GLN A 35 7.083 -10.246 -6.876 1.00 0.00 N ATOM 511 CA GLN A 35 7.727 -11.163 -5.943 1.00 0.00 C ATOM 512 C GLN A 35 6.698 -12.063 -5.267 1.00 0.00 C ATOM 513 O GLN A 35 6.991 -13.209 -4.924 1.00 0.00 O ATOM 514 CB GLN A 35 8.511 -10.382 -4.888 1.00 0.00 C ATOM 515 CG GLN A 35 9.622 -9.522 -5.468 1.00 0.00 C ATOM 516 CD GLN A 35 10.441 -8.827 -4.399 1.00 0.00 C ATOM 517 OE1 GLN A 35 9.904 -8.365 -3.392 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.750 -8.749 -4.612 1.00 0.00 N ATOM 0 H GLN A 35 6.337 -9.683 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 35 8.417 -11.791 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.822 -9.745 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.942 -11.084 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.279 -10.145 -6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.188 -8.774 -6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.153 -9.146 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.352 -8.292 -3.927 1.00 0.00 H new ATOM 527 N ILE A 36 5.493 -11.536 -5.076 1.00 0.00 N ATOM 528 CA ILE A 36 4.421 -12.292 -4.441 1.00 0.00 C ATOM 529 C ILE A 36 3.148 -12.254 -5.282 1.00 0.00 C ATOM 530 O ILE A 36 3.041 -11.476 -6.230 1.00 0.00 O ATOM 531 CB ILE A 36 4.109 -11.752 -3.033 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.334 -10.436 -3.128 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.394 -11.561 -2.242 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.107 -9.328 -3.808 1.00 0.00 C ATOM 0 H ILE A 36 5.235 -10.589 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 36 4.768 -13.322 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 36 3.489 -12.480 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.406 -10.609 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.058 -10.113 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.157 -11.179 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.910 -12.517 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.038 -10.850 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.497 -8.425 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.022 -9.128 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.360 -9.631 -4.824 1.00 0.00 H new ATOM 546 N HIS A 37 2.185 -13.099 -4.926 1.00 0.00 N ATOM 547 CA HIS A 37 0.918 -13.160 -5.646 1.00 0.00 C ATOM 548 C HIS A 37 0.492 -11.772 -6.115 1.00 0.00 C ATOM 549 O HIS A 37 0.227 -11.560 -7.299 1.00 0.00 O ATOM 550 CB HIS A 37 -0.168 -13.767 -4.757 1.00 0.00 C ATOM 551 CG HIS A 37 -0.516 -12.918 -3.573 1.00 0.00 C ATOM 552 ND1 HIS A 37 0.312 -12.776 -2.480 1.00 0.00 N ATOM 553 CD2 HIS A 37 -1.610 -12.164 -3.315 1.00 0.00 C ATOM 554 CE1 HIS A 37 -0.258 -11.972 -1.600 1.00 0.00 C ATOM 555 NE2 HIS A 37 -1.425 -11.586 -2.083 1.00 0.00 N ATOM 0 H HIS A 37 2.258 -13.750 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 37 1.056 -13.793 -6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.066 -13.930 -5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.164 -14.745 -4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.469 -12.040 -3.958 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.159 -11.680 -0.648 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.082 -10.960 -1.617 1.00 0.00 H new ATOM 563 N VAL A 38 0.428 -10.830 -5.180 1.00 0.00 N ATOM 564 CA VAL A 38 0.035 -9.463 -5.498 1.00 0.00 C ATOM 565 C VAL A 38 1.252 -8.551 -5.602 1.00 0.00 C ATOM 566 O VAL A 38 1.803 -8.093 -4.600 1.00 0.00 O ATOM 567 CB VAL A 38 -0.929 -8.895 -4.439 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.231 -8.771 -3.093 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.482 -7.551 -4.888 1.00 0.00 C ATOM 0 H VAL A 38 0.643 -10.989 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.474 -9.496 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.764 -9.586 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.928 -8.368 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.111 -9.754 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.624 -8.102 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.161 -7.165 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.661 -6.849 -5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.021 -7.675 -5.827 1.00 0.00 H new ATOM 579 N PRO A 39 1.684 -8.279 -6.842 1.00 0.00 N ATOM 580 CA PRO A 39 2.840 -7.418 -7.107 1.00 0.00 C ATOM 581 C PRO A 39 2.562 -5.955 -6.778 1.00 0.00 C ATOM 582 O PRO A 39 1.531 -5.625 -6.189 1.00 0.00 O ATOM 583 CB PRO A 39 3.075 -7.592 -8.609 1.00 0.00 C ATOM 584 CG PRO A 39 1.747 -7.983 -9.158 1.00 0.00 C ATOM 585 CD PRO A 39 1.075 -8.790 -8.082 1.00 0.00 C ATOM 0 HA PRO A 39 3.699 -7.689 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.435 -6.669 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.826 -8.357 -8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.156 -7.103 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.859 -8.567 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.006 -8.647 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.256 -9.857 -8.208 1.00 0.00 H new ATOM 593 N THR A 40 3.487 -5.080 -7.161 1.00 0.00 N ATOM 594 CA THR A 40 3.341 -3.653 -6.905 1.00 0.00 C ATOM 595 C THR A 40 3.536 -2.843 -8.182 1.00 0.00 C ATOM 596 O THR A 40 4.561 -2.963 -8.854 1.00 0.00 O ATOM 597 CB THR A 40 4.346 -3.167 -5.844 1.00 0.00 C ATOM 598 OG1 THR A 40 5.676 -3.215 -6.370 1.00 0.00 O ATOM 599 CG2 THR A 40 4.261 -4.020 -4.587 1.00 0.00 C ATOM 0 H THR A 40 4.345 -5.335 -7.650 1.00 0.00 H new ATOM 0 HA THR A 40 2.328 -3.501 -6.532 1.00 0.00 H new ATOM 0 HB THR A 40 4.096 -2.138 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.642 -3.192 -7.349 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.980 -3.658 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.255 -3.957 -4.172 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.487 -5.057 -4.835 1.00 0.00 H new ATOM 607 N PHE A 41 2.548 -2.018 -8.511 1.00 0.00 N ATOM 608 CA PHE A 41 2.611 -1.188 -9.708 1.00 0.00 C ATOM 609 C PHE A 41 2.390 0.281 -9.364 1.00 0.00 C ATOM 610 O PHE A 41 1.416 0.636 -8.699 1.00 0.00 O ATOM 611 CB PHE A 41 1.568 -1.648 -10.729 1.00 0.00 C ATOM 612 CG PHE A 41 1.960 -2.896 -11.467 1.00 0.00 C ATOM 613 CD1 PHE A 41 2.010 -4.116 -10.813 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.278 -2.848 -12.815 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.370 -5.267 -11.489 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.638 -3.995 -13.496 1.00 0.00 C ATOM 617 CZ PHE A 41 2.686 -5.206 -12.833 1.00 0.00 C ATOM 0 H PHE A 41 1.694 -1.906 -7.965 1.00 0.00 H new ATOM 0 HA PHE A 41 3.605 -1.295 -10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.622 -1.821 -10.217 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.399 -0.848 -11.449 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.765 -4.169 -9.763 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.244 -1.904 -13.339 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.404 -6.212 -10.968 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.882 -3.945 -14.547 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.970 -6.103 -13.364 1.00 0.00 H new ATOM 627 N THR A 42 3.302 1.134 -9.820 1.00 0.00 N ATOM 628 CA THR A 42 3.208 2.565 -9.560 1.00 0.00 C ATOM 629 C THR A 42 2.517 3.289 -10.709 1.00 0.00 C ATOM 630 O THR A 42 3.138 3.594 -11.728 1.00 0.00 O ATOM 631 CB THR A 42 4.600 3.188 -9.339 1.00 0.00 C ATOM 632 OG1 THR A 42 5.264 2.530 -8.255 1.00 0.00 O ATOM 633 CG2 THR A 42 4.486 4.676 -9.043 1.00 0.00 C ATOM 0 H THR A 42 4.115 0.858 -10.372 1.00 0.00 H new ATOM 0 HA THR A 42 2.616 2.683 -8.652 1.00 0.00 H new ATOM 0 HB THR A 42 5.181 3.059 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.148 2.930 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.481 5.094 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.006 5.178 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.889 4.823 -8.143 1.00 0.00 H new ATOM 641 N PHE A 43 1.227 3.563 -10.539 1.00 0.00 N ATOM 642 CA PHE A 43 0.451 4.252 -11.563 1.00 0.00 C ATOM 643 C PHE A 43 0.450 5.759 -11.323 1.00 0.00 C ATOM 644 O PHE A 43 0.206 6.221 -10.208 1.00 0.00 O ATOM 645 CB PHE A 43 -0.986 3.727 -11.583 1.00 0.00 C ATOM 646 CG PHE A 43 -1.172 2.523 -12.461 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.317 2.665 -13.832 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.201 1.249 -11.917 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.488 1.558 -14.642 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.372 0.139 -12.722 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.515 0.294 -14.087 1.00 0.00 C ATOM 0 H PHE A 43 0.698 3.318 -9.702 1.00 0.00 H new ATOM 0 HA PHE A 43 0.916 4.056 -12.529 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.286 3.475 -10.566 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.650 4.521 -11.924 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.296 3.651 -14.272 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.089 1.122 -10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.600 1.682 -15.709 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.394 -0.848 -12.285 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.648 -0.572 -14.719 1.00 0.00 H new ATOM 661 N ARG A 44 0.725 6.520 -12.377 1.00 0.00 N ATOM 662 CA ARG A 44 0.758 7.975 -12.282 1.00 0.00 C ATOM 663 C ARG A 44 -0.496 8.589 -12.898 1.00 0.00 C ATOM 664 O ARG A 44 -0.822 8.331 -14.057 1.00 0.00 O ATOM 665 CB ARG A 44 2.003 8.525 -12.979 1.00 0.00 C ATOM 666 CG ARG A 44 2.234 10.007 -12.733 1.00 0.00 C ATOM 667 CD ARG A 44 3.583 10.457 -13.272 1.00 0.00 C ATOM 668 NE ARG A 44 4.680 10.081 -12.384 1.00 0.00 N ATOM 669 CZ ARG A 44 5.934 10.486 -12.553 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.248 11.276 -13.571 1.00 0.00 N ATOM 671 NH2 ARG A 44 6.877 10.100 -11.703 1.00 0.00 N ATOM 0 H ARG A 44 0.928 6.153 -13.307 1.00 0.00 H new ATOM 0 HA ARG A 44 0.792 8.244 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.876 7.968 -12.638 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.914 8.353 -14.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.440 10.584 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.181 10.212 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.746 10.017 -14.256 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.578 11.539 -13.404 1.00 0.00 H new ATOM 0 HE ARG A 44 4.472 9.474 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.526 11.574 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.212 11.585 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.639 9.492 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.840 10.411 -11.833 1.00 0.00 H new ATOM 685 N VAL A 45 -1.197 9.402 -12.114 1.00 0.00 N ATOM 686 CA VAL A 45 -2.415 10.053 -12.582 1.00 0.00 C ATOM 687 C VAL A 45 -2.159 11.517 -12.921 1.00 0.00 C ATOM 688 O VAL A 45 -1.761 12.306 -12.063 1.00 0.00 O ATOM 689 CB VAL A 45 -3.536 9.970 -11.529 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.326 11.012 -10.442 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.897 10.140 -12.187 1.00 0.00 C ATOM 0 H VAL A 45 -0.942 9.625 -11.152 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.732 9.524 -13.481 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.503 8.985 -11.064 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.128 10.938 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.368 10.839 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.332 12.007 -10.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.678 10.079 -11.429 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.944 11.111 -12.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.045 9.352 -12.925 1.00 0.00 H new ATOM 701 N THR A 46 -2.392 11.877 -14.180 1.00 0.00 N ATOM 702 CA THR A 46 -2.187 13.246 -14.634 1.00 0.00 C ATOM 703 C THR A 46 -3.492 13.866 -15.120 1.00 0.00 C ATOM 704 O THR A 46 -4.054 13.442 -16.130 1.00 0.00 O ATOM 705 CB THR A 46 -1.147 13.312 -15.769 1.00 0.00 C ATOM 706 OG1 THR A 46 0.083 12.717 -15.341 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.899 14.752 -16.193 1.00 0.00 C ATOM 0 H THR A 46 -2.723 11.238 -14.903 1.00 0.00 H new ATOM 0 HA THR A 46 -1.817 13.810 -13.778 1.00 0.00 H new ATOM 0 HB THR A 46 -1.539 12.761 -16.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.738 12.761 -16.068 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.161 14.773 -16.995 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.831 15.193 -16.546 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.526 15.323 -15.342 1.00 0.00 H new ATOM 715 N VAL A 47 -3.970 14.873 -14.396 1.00 0.00 N ATOM 716 CA VAL A 47 -5.209 15.552 -14.754 1.00 0.00 C ATOM 717 C VAL A 47 -4.998 17.058 -14.863 1.00 0.00 C ATOM 718 O VAL A 47 -4.904 17.757 -13.854 1.00 0.00 O ATOM 719 CB VAL A 47 -6.320 15.273 -13.725 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.560 16.096 -14.041 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.650 13.789 -13.688 1.00 0.00 C ATOM 0 H VAL A 47 -3.517 15.237 -13.557 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.516 15.160 -15.723 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.960 15.567 -12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.334 15.885 -13.303 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.310 17.157 -14.012 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.926 15.836 -15.035 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.437 13.609 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.990 13.467 -14.672 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.760 13.225 -13.410 1.00 0.00 H new ATOM 731 N GLY A 48 -4.924 17.553 -16.095 1.00 0.00 N ATOM 732 CA GLY A 48 -4.725 18.974 -16.313 1.00 0.00 C ATOM 733 C GLY A 48 -3.356 19.444 -15.862 1.00 0.00 C ATOM 734 O GLY A 48 -2.420 19.503 -16.660 1.00 0.00 O ATOM 0 H GLY A 48 -4.998 16.995 -16.946 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.851 19.197 -17.372 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.492 19.532 -15.776 1.00 0.00 H new ATOM 738 N ASP A 49 -3.239 19.780 -14.583 1.00 0.00 N ATOM 739 CA ASP A 49 -1.974 20.247 -14.027 1.00 0.00 C ATOM 740 C ASP A 49 -1.560 19.400 -12.829 1.00 0.00 C ATOM 741 O ASP A 49 -0.404 19.427 -12.406 1.00 0.00 O ATOM 742 CB ASP A 49 -2.086 21.716 -13.615 1.00 0.00 C ATOM 743 CG ASP A 49 -2.104 22.652 -14.807 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.385 22.375 -15.791 1.00 0.00 O ATOM 745 OD2 ASP A 49 -2.837 23.662 -14.757 1.00 0.00 O ATOM 0 H ASP A 49 -4.005 19.738 -13.911 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.209 20.150 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.996 21.858 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.248 21.974 -12.967 1.00 0.00 H new ATOM 750 N ILE A 50 -2.512 18.649 -12.285 1.00 0.00 N ATOM 751 CA ILE A 50 -2.246 17.793 -11.135 1.00 0.00 C ATOM 752 C ILE A 50 -1.660 16.454 -11.570 1.00 0.00 C ATOM 753 O ILE A 50 -2.162 15.814 -12.495 1.00 0.00 O ATOM 754 CB ILE A 50 -3.524 17.539 -10.315 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.118 18.864 -9.831 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.224 16.626 -9.136 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.578 18.767 -9.447 1.00 0.00 C ATOM 0 H ILE A 50 -3.474 18.616 -12.622 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.522 18.318 -10.512 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.256 17.046 -10.955 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.547 19.216 -8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.006 19.612 -10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.137 16.456 -8.566 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.842 15.673 -9.502 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.478 17.094 -8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.932 19.743 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.161 18.445 -10.310 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.695 18.044 -8.640 1.00 0.00 H new ATOM 769 N THR A 51 -0.594 16.034 -10.896 1.00 0.00 N ATOM 770 CA THR A 51 0.061 14.771 -11.211 1.00 0.00 C ATOM 771 C THR A 51 0.437 14.014 -9.942 1.00 0.00 C ATOM 772 O THR A 51 1.229 14.497 -9.132 1.00 0.00 O ATOM 773 CB THR A 51 1.329 14.992 -12.058 1.00 0.00 C ATOM 774 OG1 THR A 51 0.969 15.246 -13.420 1.00 0.00 O ATOM 775 CG2 THR A 51 2.244 13.779 -11.988 1.00 0.00 C ATOM 0 H THR A 51 -0.166 16.551 -10.128 1.00 0.00 H new ATOM 0 HA THR A 51 -0.653 14.180 -11.785 1.00 0.00 H new ATOM 0 HB THR A 51 1.863 15.854 -11.657 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.764 14.399 -13.868 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.132 13.958 -12.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.539 13.605 -10.953 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.717 12.903 -12.367 1.00 0.00 H new ATOM 783 N CYS A 52 -0.136 12.827 -9.775 1.00 0.00 N ATOM 784 CA CYS A 52 0.140 12.004 -8.604 1.00 0.00 C ATOM 785 C CYS A 52 0.526 10.586 -9.014 1.00 0.00 C ATOM 786 O CYS A 52 0.468 10.231 -10.192 1.00 0.00 O ATOM 787 CB CYS A 52 -1.081 11.966 -7.683 1.00 0.00 C ATOM 788 SG CYS A 52 -1.658 13.597 -7.156 1.00 0.00 S ATOM 0 H CYS A 52 -0.794 12.414 -10.436 1.00 0.00 H new ATOM 0 HA CYS A 52 0.978 12.449 -8.068 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.894 11.453 -8.196 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.838 11.375 -6.800 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.607 13.677 -5.859 1.00 0.00 H new ATOM 794 N THR A 53 0.922 9.779 -8.034 1.00 0.00 N ATOM 795 CA THR A 53 1.321 8.401 -8.293 1.00 0.00 C ATOM 796 C THR A 53 0.922 7.488 -7.140 1.00 0.00 C ATOM 797 O THR A 53 1.195 7.784 -5.978 1.00 0.00 O ATOM 798 CB THR A 53 2.840 8.290 -8.521 1.00 0.00 C ATOM 799 OG1 THR A 53 3.542 8.638 -7.322 1.00 0.00 O ATOM 800 CG2 THR A 53 3.285 9.198 -9.657 1.00 0.00 C ATOM 0 H THR A 53 0.975 10.056 -7.054 1.00 0.00 H new ATOM 0 HA THR A 53 0.802 8.086 -9.198 1.00 0.00 H new ATOM 0 HB THR A 53 3.070 7.259 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.945 8.534 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.361 9.102 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.771 8.911 -10.574 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.042 10.232 -9.413 1.00 0.00 H new ATOM 808 N GLY A 54 0.275 6.374 -7.470 1.00 0.00 N ATOM 809 CA GLY A 54 -0.150 5.433 -6.450 1.00 0.00 C ATOM 810 C GLY A 54 0.757 4.222 -6.365 1.00 0.00 C ATOM 811 O GLY A 54 0.633 3.290 -7.159 1.00 0.00 O ATOM 0 H GLY A 54 0.038 6.107 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.172 5.935 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.168 5.107 -6.663 1.00 0.00 H new ATOM 815 N GLU A 55 1.671 4.235 -5.400 1.00 0.00 N ATOM 816 CA GLU A 55 2.604 3.129 -5.217 1.00 0.00 C ATOM 817 C GLU A 55 2.245 2.315 -3.977 1.00 0.00 C ATOM 818 O GLU A 55 1.831 2.866 -2.958 1.00 0.00 O ATOM 819 CB GLU A 55 4.036 3.654 -5.099 1.00 0.00 C ATOM 820 CG GLU A 55 5.077 2.557 -4.953 1.00 0.00 C ATOM 821 CD GLU A 55 6.494 3.072 -5.112 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.838 4.073 -4.448 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.258 2.476 -5.899 1.00 0.00 O ATOM 0 H GLU A 55 1.785 4.998 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 55 2.534 2.480 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.269 4.249 -5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.100 4.320 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.972 2.090 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.890 1.783 -5.697 1.00 0.00 H new ATOM 830 N GLY A 56 2.408 0.999 -4.072 1.00 0.00 N ATOM 831 CA GLY A 56 2.097 0.130 -2.953 1.00 0.00 C ATOM 832 C GLY A 56 1.592 -1.229 -3.396 1.00 0.00 C ATOM 833 O GLY A 56 2.068 -2.262 -2.924 1.00 0.00 O ATOM 0 H GLY A 56 2.750 0.519 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.988 0.000 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.344 0.607 -2.325 1.00 0.00 H new ATOM 837 N THR A 57 0.623 -1.230 -4.306 1.00 0.00 N ATOM 838 CA THR A 57 0.051 -2.472 -4.812 1.00 0.00 C ATOM 839 C THR A 57 -0.086 -2.436 -6.330 1.00 0.00 C ATOM 840 O THR A 57 0.321 -1.471 -6.977 1.00 0.00 O ATOM 841 CB THR A 57 -1.331 -2.748 -4.190 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.406 -2.163 -2.885 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.593 -4.243 -4.096 1.00 0.00 C ATOM 0 H THR A 57 0.218 -0.385 -4.708 1.00 0.00 H new ATOM 0 HA THR A 57 0.735 -3.273 -4.530 1.00 0.00 H new ATOM 0 HB THR A 57 -2.090 -2.302 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.593 -2.861 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.575 -4.413 -3.654 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.564 -4.681 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.829 -4.708 -3.473 1.00 0.00 H new ATOM 851 N SER A 58 -0.662 -3.494 -6.892 1.00 0.00 N ATOM 852 CA SER A 58 -0.850 -3.585 -8.335 1.00 0.00 C ATOM 853 C SER A 58 -2.142 -2.893 -8.760 1.00 0.00 C ATOM 854 O SER A 58 -2.863 -2.336 -7.932 1.00 0.00 O ATOM 855 CB SER A 58 -0.873 -5.049 -8.777 1.00 0.00 C ATOM 856 OG SER A 58 -1.983 -5.732 -8.219 1.00 0.00 O ATOM 0 H SER A 58 -1.006 -4.300 -6.370 1.00 0.00 H new ATOM 0 HA SER A 58 -0.013 -3.081 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.918 -5.103 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.051 -5.539 -8.471 1.00 0.00 H new ATOM 0 HG SER A 58 -1.977 -6.665 -8.518 1.00 0.00 H new ATOM 862 N LYS A 59 -2.428 -2.933 -10.056 1.00 0.00 N ATOM 863 CA LYS A 59 -3.633 -2.312 -10.594 1.00 0.00 C ATOM 864 C LYS A 59 -4.792 -2.431 -9.609 1.00 0.00 C ATOM 865 O LYS A 59 -5.679 -1.578 -9.570 1.00 0.00 O ATOM 866 CB LYS A 59 -4.014 -2.959 -11.927 1.00 0.00 C ATOM 867 CG LYS A 59 -2.937 -2.838 -12.991 1.00 0.00 C ATOM 868 CD LYS A 59 -2.968 -4.015 -13.952 1.00 0.00 C ATOM 869 CE LYS A 59 -1.725 -4.051 -14.828 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.776 -3.024 -15.905 1.00 0.00 N ATOM 0 H LYS A 59 -1.841 -3.389 -10.755 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.425 -1.255 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.231 -4.014 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.931 -2.499 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.075 -1.910 -13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.958 -2.782 -12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.044 -4.945 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.856 -3.950 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.841 -3.887 -14.211 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.623 -5.040 -15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.494 -3.454 -16.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.744 -2.653 -15.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.126 -2.246 -15.674 1.00 0.00 H new ATOM 884 N LYS A 60 -4.779 -3.496 -8.814 1.00 0.00 N ATOM 885 CA LYS A 60 -5.827 -3.726 -7.826 1.00 0.00 C ATOM 886 C LYS A 60 -6.050 -2.485 -6.969 1.00 0.00 C ATOM 887 O LYS A 60 -7.063 -1.798 -7.104 1.00 0.00 O ATOM 888 CB LYS A 60 -5.464 -4.916 -6.935 1.00 0.00 C ATOM 889 CG LYS A 60 -5.745 -6.264 -7.576 1.00 0.00 C ATOM 890 CD LYS A 60 -7.236 -6.547 -7.649 1.00 0.00 C ATOM 891 CE LYS A 60 -7.521 -7.852 -8.375 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.524 -7.675 -9.854 1.00 0.00 N ATOM 0 H LYS A 60 -4.054 -4.213 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.751 -3.948 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.406 -4.858 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.022 -4.844 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.320 -6.286 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.252 -7.050 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.648 -6.593 -6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.738 -5.727 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.770 -8.592 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.487 -8.243 -8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.722 -8.587 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.258 -6.988 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.594 -7.326 -10.164 1.00 0.00 H new ATOM 906 N LEU A 61 -5.097 -2.201 -6.088 1.00 0.00 N ATOM 907 CA LEU A 61 -5.188 -1.040 -5.209 1.00 0.00 C ATOM 908 C LEU A 61 -4.467 0.160 -5.815 1.00 0.00 C ATOM 909 O LEU A 61 -5.029 1.250 -5.912 1.00 0.00 O ATOM 910 CB LEU A 61 -4.595 -1.367 -3.837 1.00 0.00 C ATOM 911 CG LEU A 61 -3.956 -0.198 -3.087 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.960 0.929 -2.900 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.414 -0.660 -1.742 1.00 0.00 C ATOM 0 H LEU A 61 -4.252 -2.759 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.241 -0.786 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.384 -1.785 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.843 -2.146 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.124 0.179 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.487 1.752 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.301 1.278 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.813 0.565 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.963 0.185 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.229 -1.063 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.662 -1.433 -1.899 1.00 0.00 H new ATOM 925 N ALA A 62 -3.220 -0.050 -6.223 1.00 0.00 N ATOM 926 CA ALA A 62 -2.423 1.013 -6.823 1.00 0.00 C ATOM 927 C ALA A 62 -3.300 1.968 -7.626 1.00 0.00 C ATOM 928 O ALA A 62 -3.231 3.185 -7.452 1.00 0.00 O ATOM 929 CB ALA A 62 -1.335 0.422 -7.708 1.00 0.00 C ATOM 0 H ALA A 62 -2.740 -0.947 -6.149 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.953 1.580 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.748 1.227 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.685 -0.215 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.792 -0.170 -8.501 1.00 0.00 H new ATOM 935 N LYS A 63 -4.123 1.410 -8.507 1.00 0.00 N ATOM 936 CA LYS A 63 -5.014 2.212 -9.337 1.00 0.00 C ATOM 937 C LYS A 63 -5.951 3.052 -8.476 1.00 0.00 C ATOM 938 O LYS A 63 -6.054 4.266 -8.655 1.00 0.00 O ATOM 939 CB LYS A 63 -5.830 1.309 -10.265 1.00 0.00 C ATOM 940 CG LYS A 63 -6.214 1.973 -11.576 1.00 0.00 C ATOM 941 CD LYS A 63 -5.155 1.753 -12.644 1.00 0.00 C ATOM 942 CE LYS A 63 -5.600 2.303 -13.991 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.442 1.327 -14.737 1.00 0.00 N ATOM 0 H LYS A 63 -4.192 0.405 -8.665 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.402 2.884 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.256 0.408 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.736 0.994 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.168 1.575 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.354 3.042 -11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.226 2.236 -12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.945 0.687 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.161 3.225 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.724 2.557 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.725 1.739 -15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.899 0.456 -14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.291 1.104 -14.180 1.00 0.00 H new ATOM 957 N HIS A 64 -6.632 2.399 -7.539 1.00 0.00 N ATOM 958 CA HIS A 64 -7.559 3.088 -6.648 1.00 0.00 C ATOM 959 C HIS A 64 -6.909 4.327 -6.040 1.00 0.00 C ATOM 960 O HIS A 64 -7.488 5.414 -6.056 1.00 0.00 O ATOM 961 CB HIS A 64 -8.026 2.146 -5.537 1.00 0.00 C ATOM 962 CG HIS A 64 -9.412 2.437 -5.049 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.545 1.957 -5.672 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.844 3.161 -3.991 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.614 2.376 -5.019 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.216 3.108 -3.994 1.00 0.00 N ATOM 0 H HIS A 64 -6.559 1.395 -7.377 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.422 3.403 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.986 1.119 -5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.333 2.214 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.225 3.683 -3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.639 2.157 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.828 3.560 -3.315 1.00 0.00 H new ATOM 974 N ARG A 65 -5.705 4.156 -5.505 1.00 0.00 N ATOM 975 CA ARG A 65 -4.978 5.260 -4.890 1.00 0.00 C ATOM 976 C ARG A 65 -4.644 6.333 -5.923 1.00 0.00 C ATOM 977 O ARG A 65 -4.813 7.525 -5.670 1.00 0.00 O ATOM 978 CB ARG A 65 -3.693 4.751 -4.235 1.00 0.00 C ATOM 979 CG ARG A 65 -3.837 4.471 -2.748 1.00 0.00 C ATOM 980 CD ARG A 65 -2.591 3.807 -2.183 1.00 0.00 C ATOM 981 NE ARG A 65 -2.366 4.166 -0.785 1.00 0.00 N ATOM 982 CZ ARG A 65 -3.093 3.694 0.222 1.00 0.00 C ATOM 983 NH1 ARG A 65 -4.085 2.847 -0.013 1.00 0.00 N ATOM 984 NH2 ARG A 65 -2.826 4.068 1.467 1.00 0.00 N ATOM 0 H ARG A 65 -5.212 3.263 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.617 5.702 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.375 3.838 -4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.903 5.488 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.026 5.404 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.701 3.828 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.687 2.725 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.724 4.098 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.609 4.815 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.292 2.556 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.642 2.486 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.062 4.718 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.385 3.705 2.239 1.00 0.00 H new ATOM 998 N ALA A 66 -4.169 5.900 -7.086 1.00 0.00 N ATOM 999 CA ALA A 66 -3.814 6.823 -8.157 1.00 0.00 C ATOM 1000 C ALA A 66 -4.950 7.800 -8.440 1.00 0.00 C ATOM 1001 O ALA A 66 -4.742 9.012 -8.482 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.451 6.053 -9.418 1.00 0.00 C ATOM 0 H ALA A 66 -4.021 4.916 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.947 7.399 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.188 6.755 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.602 5.401 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.303 5.451 -9.735 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.150 7.264 -8.633 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.319 8.089 -8.911 1.00 0.00 C ATOM 1010 C ALA A 67 -7.742 8.877 -7.675 1.00 0.00 C ATOM 1011 O ALA A 67 -8.156 10.031 -7.776 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.469 7.225 -9.407 1.00 0.00 C ATOM 0 H ALA A 67 -6.338 6.262 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.052 8.802 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.335 7.854 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.170 6.712 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.726 6.489 -8.645 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.634 8.244 -6.511 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.006 8.887 -5.256 1.00 0.00 C ATOM 1020 C GLU A 68 -7.239 10.192 -5.064 1.00 0.00 C ATOM 1021 O GLU A 68 -7.827 11.234 -4.777 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.740 7.948 -4.078 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.923 7.063 -3.724 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.689 6.250 -2.466 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.512 6.032 -2.111 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.684 5.834 -1.836 1.00 0.00 O ATOM 0 H GLU A 68 -7.293 7.288 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.071 9.115 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.883 7.317 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.468 8.542 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.809 7.684 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.128 6.388 -4.555 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.921 10.126 -5.225 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.073 11.302 -5.072 1.00 0.00 C ATOM 1035 C ALA A 69 -5.649 12.496 -5.824 1.00 0.00 C ATOM 1036 O ALA A 69 -6.158 13.438 -5.216 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.662 11.001 -5.555 1.00 0.00 C ATOM 0 H ALA A 69 -5.418 9.271 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.036 11.558 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.039 11.888 -5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.244 10.182 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.690 10.717 -6.607 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.565 12.452 -7.150 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.079 13.530 -7.985 1.00 0.00 C ATOM 1045 C ALA A 70 -7.346 14.132 -7.385 1.00 0.00 C ATOM 1046 O ALA A 70 -7.354 15.288 -6.961 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.349 13.023 -9.394 1.00 0.00 C ATOM 0 H ALA A 70 -5.145 11.681 -7.669 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.322 14.313 -8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.733 13.839 -10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.423 12.647 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.085 12.220 -9.357 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.413 13.342 -7.354 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.685 13.798 -6.806 1.00 0.00 C ATOM 1055 C ILE A 71 -9.470 14.690 -5.588 1.00 0.00 C ATOM 1056 O ILE A 71 -9.698 15.897 -5.641 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.585 12.613 -6.409 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.861 11.725 -7.624 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.888 13.116 -5.807 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.606 10.453 -7.286 1.00 0.00 C ATOM 0 H ILE A 71 -8.423 12.383 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.179 14.371 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.066 12.018 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.439 12.292 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.914 11.467 -8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.513 12.267 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.673 13.711 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.413 13.731 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.767 9.873 -8.195 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.020 9.865 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.569 10.703 -6.840 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.028 14.085 -4.490 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.781 14.824 -3.257 1.00 0.00 C ATOM 1074 C ASN A 72 -8.231 16.215 -3.558 1.00 0.00 C ATOM 1075 O ASN A 72 -8.539 17.180 -2.857 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.800 14.058 -2.367 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.503 13.110 -1.414 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.242 13.539 -0.527 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.276 11.814 -1.594 1.00 0.00 N ATOM 0 H ASN A 72 -8.834 13.086 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.730 14.933 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.110 13.493 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.203 14.768 -1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.722 11.129 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.656 11.504 -2.342 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.418 16.311 -4.604 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.828 17.584 -4.999 1.00 0.00 C ATOM 1088 C ILE A 73 -7.800 18.403 -5.841 1.00 0.00 C ATOM 1089 O ILE A 73 -7.910 19.619 -5.676 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.525 17.378 -5.793 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.471 16.697 -4.918 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.007 18.710 -6.316 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.498 15.842 -5.699 1.00 0.00 C ATOM 0 H ILE A 73 -7.153 15.522 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.602 18.126 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.735 16.732 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.915 17.460 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.973 16.076 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.085 18.548 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.754 19.159 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.810 19.378 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.780 15.391 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.043 15.057 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.969 16.462 -6.423 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.504 17.729 -6.744 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.470 18.394 -7.612 1.00 0.00 C ATOM 1107 C LEU A 74 -10.500 19.165 -6.792 1.00 0.00 C ATOM 1108 O LEU A 74 -11.021 20.189 -7.234 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.174 17.369 -8.503 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.456 17.004 -9.803 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -7.972 16.791 -9.551 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.077 15.762 -10.425 1.00 0.00 C ATOM 0 H LEU A 74 -8.424 16.723 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.930 19.102 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.323 16.457 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.163 17.753 -8.753 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.570 17.832 -10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.477 16.532 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.536 17.706 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.837 15.982 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.553 15.517 -11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.995 14.927 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.128 15.951 -10.643 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.787 18.667 -5.594 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.751 19.310 -4.709 1.00 0.00 C ATOM 1126 C LYS A 75 -11.191 20.613 -4.148 1.00 0.00 C ATOM 1127 O LYS A 75 -11.759 21.684 -4.357 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.128 18.369 -3.563 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.510 16.972 -4.022 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.322 15.950 -2.914 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.510 15.932 -1.964 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.294 15.002 -0.822 1.00 0.00 N ATOM 0 H LYS A 75 -10.365 17.820 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.643 19.540 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.288 18.298 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.962 18.801 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.550 16.967 -4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.903 16.692 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.188 14.960 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.413 16.178 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.686 16.938 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.406 15.635 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.126 15.019 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.151 14.037 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.454 15.299 -0.286 1.00 0.00 H new