USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 641 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 8 ASN : amide:sc= -9.11! C(o=-8.5!,f=-14!) USER MOD Set 1.2: A 10 LYS NZ :NH3+ 155:sc= 0.645 (180deg=0) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.218 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.565 (180deg=0.553) USER MOD Single : A 3 SER OG : rot 0:sc= 0.368 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= -0.0739 (180deg=-0.993) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0391) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00353 USER MOD Single : A 22 ASN : amide:sc= -0.0915 K(o=-0.091,f=-4.5!) USER MOD Single : A 23 THR OG1 : rot 88:sc= 1.04 USER MOD Single : A 27 THR OG1 : rot -56:sc= -2.39! USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= -1.5 (180deg=-3.2) USER MOD Single : A 29 THR OG1 : rot -170:sc= -2.86! USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.0685 (180deg=-0.466) USER MOD Single : A 33 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.23) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 160:sc= -1.41 USER MOD Single : A 40 SER OG : rot 114:sc= -0.196 USER MOD Single : A 41 GLN : amide:sc= -6.53! C(o=-6.5!,f=-7.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -60:sc= 0.67 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 54 SER OG : rot 59:sc= 1.15 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.00737) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -26:sc= -3.25! USER MOD Single : A 63 LYS NZ :NH3+ 140:sc= -0.962 (180deg=-4.32!) USER MOD Single : A 67 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 71 MET CE :methyl -145:sc= 0 (180deg=-0.087) USER MOD Single : A 73 SER OG : rot 92:sc= -0.311 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0842) USER MOD Single : A 77 SER OG : rot 21:sc= 1.58 USER MOD Single : A 78 THR OG1 : rot 17:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.892 -18.251 4.230 1.00 0.00 N ATOM 2 CA MET A 1 -1.629 -19.501 3.462 1.00 0.00 C ATOM 3 C MET A 1 -0.815 -19.167 2.216 1.00 0.00 C ATOM 4 O MET A 1 -0.042 -19.992 1.730 1.00 0.00 O ATOM 5 CB MET A 1 -2.963 -20.140 3.061 1.00 0.00 C ATOM 6 CG MET A 1 -3.527 -20.938 4.239 1.00 0.00 C ATOM 7 SD MET A 1 -5.225 -21.444 3.868 1.00 0.00 S ATOM 8 CE MET A 1 -4.857 -22.415 2.387 1.00 0.00 C ATOM 0 H1 MET A 1 -2.358 -18.488 5.129 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.992 -17.766 4.423 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.510 -17.626 3.674 1.00 0.00 H new ATOM 0 HA MET A 1 -1.067 -20.202 4.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.671 -19.368 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.820 -20.794 2.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.908 -21.815 4.427 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.506 -20.333 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.654 -23.140 2.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.783 -21.751 1.526 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.912 -22.940 2.522 1.00 0.00 H new ATOM 20 N VAL A 2 -0.999 -17.954 1.701 1.00 0.00 N ATOM 21 CA VAL A 2 -0.280 -17.519 0.505 1.00 0.00 C ATOM 22 C VAL A 2 0.828 -16.541 0.870 1.00 0.00 C ATOM 23 O VAL A 2 0.616 -15.581 1.608 1.00 0.00 O ATOM 24 CB VAL A 2 -1.264 -16.879 -0.498 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.645 -16.740 0.145 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.777 -15.489 -0.937 1.00 0.00 C ATOM 0 H VAL A 2 -1.636 -17.258 2.090 1.00 0.00 H new ATOM 0 HA VAL A 2 0.180 -18.389 0.037 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.321 -17.527 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.334 -16.288 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.014 -17.725 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.572 -16.108 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.488 -15.061 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.696 -14.840 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.199 -15.579 -1.414 1.00 0.00 H new ATOM 36 N SER A 3 2.005 -16.797 0.319 1.00 0.00 N ATOM 37 CA SER A 3 3.165 -15.947 0.548 1.00 0.00 C ATOM 38 C SER A 3 3.402 -15.084 -0.682 1.00 0.00 C ATOM 39 O SER A 3 3.280 -15.557 -1.810 1.00 0.00 O ATOM 40 CB SER A 3 4.403 -16.803 0.829 1.00 0.00 C ATOM 41 OG SER A 3 5.271 -16.096 1.705 1.00 0.00 O ATOM 0 H SER A 3 2.183 -17.592 -0.294 1.00 0.00 H new ATOM 0 HA SER A 3 2.979 -15.311 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.109 -17.752 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.918 -17.036 -0.103 1.00 0.00 H new ATOM 0 HG SER A 3 4.875 -15.227 1.927 1.00 0.00 H new ATOM 47 N LEU A 4 3.722 -13.815 -0.468 1.00 0.00 N ATOM 48 CA LEU A 4 3.950 -12.908 -1.588 1.00 0.00 C ATOM 49 C LEU A 4 5.194 -12.067 -1.383 1.00 0.00 C ATOM 50 O LEU A 4 5.819 -12.096 -0.324 1.00 0.00 O ATOM 51 CB LEU A 4 2.746 -11.981 -1.763 1.00 0.00 C ATOM 52 CG LEU A 4 1.485 -12.819 -1.954 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.253 -11.914 -1.874 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.526 -13.527 -3.318 1.00 0.00 C ATOM 0 H LEU A 4 3.829 -13.394 0.455 1.00 0.00 H new ATOM 0 HA LEU A 4 4.089 -13.518 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.639 -11.337 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.897 -11.329 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 4 1.432 -13.572 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.648 -12.513 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.221 -11.428 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.307 -11.156 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.622 -14.123 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.586 -12.783 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.399 -14.178 -3.364 1.00 0.00 H new ATOM 66 N THR A 5 5.534 -11.311 -2.417 1.00 0.00 N ATOM 67 CA THR A 5 6.707 -10.438 -2.372 1.00 0.00 C ATOM 68 C THR A 5 6.374 -9.056 -2.914 1.00 0.00 C ATOM 69 O THR A 5 6.085 -8.896 -4.099 1.00 0.00 O ATOM 70 CB THR A 5 7.855 -11.030 -3.198 1.00 0.00 C ATOM 71 OG1 THR A 5 8.513 -12.035 -2.439 1.00 0.00 O ATOM 72 CG2 THR A 5 8.856 -9.922 -3.563 1.00 0.00 C ATOM 0 H THR A 5 5.019 -11.282 -3.297 1.00 0.00 H new ATOM 0 HA THR A 5 7.013 -10.354 -1.329 1.00 0.00 H new ATOM 0 HB THR A 5 7.455 -11.468 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.246 -12.416 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.671 -10.346 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.350 -9.153 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.258 -9.480 -2.651 1.00 0.00 H new ATOM 80 N PHE A 6 6.445 -8.055 -2.047 1.00 0.00 N ATOM 81 CA PHE A 6 6.177 -6.686 -2.461 1.00 0.00 C ATOM 82 C PHE A 6 7.498 -5.975 -2.744 1.00 0.00 C ATOM 83 O PHE A 6 8.330 -5.824 -1.849 1.00 0.00 O ATOM 84 CB PHE A 6 5.406 -5.951 -1.365 1.00 0.00 C ATOM 85 CG PHE A 6 4.036 -6.571 -1.232 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.858 -7.712 -0.441 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.945 -6.007 -1.903 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.589 -8.288 -0.319 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.676 -6.584 -1.781 1.00 0.00 C ATOM 90 CZ PHE A 6 1.497 -7.724 -0.990 1.00 0.00 C ATOM 0 H PHE A 6 6.684 -8.164 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 6 5.572 -6.692 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.943 -6.016 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.319 -4.893 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.701 -8.148 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.082 -5.127 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.452 -9.167 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.834 -6.149 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.517 -8.169 -0.897 1.00 0.00 H new ATOM 100 N LYS A 7 7.698 -5.561 -3.997 1.00 0.00 N ATOM 101 CA LYS A 7 8.940 -4.893 -4.382 1.00 0.00 C ATOM 102 C LYS A 7 8.681 -3.455 -4.820 1.00 0.00 C ATOM 103 O LYS A 7 7.604 -3.127 -5.318 1.00 0.00 O ATOM 104 CB LYS A 7 9.616 -5.672 -5.517 1.00 0.00 C ATOM 105 CG LYS A 7 8.832 -5.484 -6.825 1.00 0.00 C ATOM 106 CD LYS A 7 9.268 -4.185 -7.533 1.00 0.00 C ATOM 107 CE LYS A 7 9.756 -4.504 -8.950 1.00 0.00 C ATOM 108 NZ LYS A 7 10.870 -5.492 -8.881 1.00 0.00 N ATOM 0 H LYS A 7 7.024 -5.675 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 7 9.598 -4.868 -3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.642 -5.326 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.666 -6.731 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.999 -6.337 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.763 -5.449 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.433 -3.485 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.062 -3.700 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.937 -4.905 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.094 -3.593 -9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.560 -5.290 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.337 -5.424 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.491 -6.452 -9.008 1.00 0.00 H new ATOM 122 N ASN A 8 9.686 -2.602 -4.628 1.00 0.00 N ATOM 123 CA ASN A 8 9.580 -1.192 -4.997 1.00 0.00 C ATOM 124 C ASN A 8 10.608 -0.841 -6.072 1.00 0.00 C ATOM 125 O ASN A 8 11.188 -1.725 -6.702 1.00 0.00 O ATOM 126 CB ASN A 8 9.806 -0.319 -3.762 1.00 0.00 C ATOM 127 CG ASN A 8 11.017 -0.824 -2.983 1.00 0.00 C ATOM 128 OD1 ASN A 8 11.132 -0.573 -1.784 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.931 -1.524 -3.597 1.00 0.00 N ATOM 0 H ASN A 8 10.583 -2.863 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 8 8.582 -1.008 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.962 0.717 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.921 -0.337 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.743 -1.865 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.833 -1.731 -4.591 1.00 0.00 H new ATOM 136 N PHE A 9 10.828 0.454 -6.278 1.00 0.00 N ATOM 137 CA PHE A 9 11.786 0.907 -7.283 1.00 0.00 C ATOM 138 C PHE A 9 13.215 0.812 -6.752 1.00 0.00 C ATOM 139 O PHE A 9 14.170 1.150 -7.452 1.00 0.00 O ATOM 140 CB PHE A 9 11.475 2.356 -7.680 1.00 0.00 C ATOM 141 CG PHE A 9 11.671 2.532 -9.168 1.00 0.00 C ATOM 142 CD1 PHE A 9 12.933 2.866 -9.674 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.590 2.360 -10.041 1.00 0.00 C ATOM 144 CE1 PHE A 9 13.114 3.028 -11.053 1.00 0.00 C ATOM 145 CE2 PHE A 9 10.770 2.522 -11.420 1.00 0.00 C ATOM 146 CZ PHE A 9 12.033 2.856 -11.926 1.00 0.00 C ATOM 0 H PHE A 9 10.361 1.203 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 9 11.699 0.263 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.450 2.606 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.126 3.040 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.767 2.999 -9.001 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.617 2.102 -9.650 1.00 0.00 H new ATOM 0 HE1 PHE A 9 14.088 3.286 -11.443 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.936 2.390 -12.093 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.173 2.981 -12.990 1.00 0.00 H new ATOM 156 N LYS A 10 13.356 0.343 -5.517 1.00 0.00 N ATOM 157 CA LYS A 10 14.675 0.198 -4.909 1.00 0.00 C ATOM 158 C LYS A 10 15.206 -1.202 -5.174 1.00 0.00 C ATOM 159 O LYS A 10 16.261 -1.589 -4.673 1.00 0.00 O ATOM 160 CB LYS A 10 14.589 0.446 -3.399 1.00 0.00 C ATOM 161 CG LYS A 10 14.525 1.958 -3.123 1.00 0.00 C ATOM 162 CD LYS A 10 13.553 2.235 -1.969 1.00 0.00 C ATOM 163 CE LYS A 10 12.113 2.237 -2.495 1.00 0.00 C ATOM 164 NZ LYS A 10 11.185 1.830 -1.401 1.00 0.00 N ATOM 0 H LYS A 10 12.579 0.058 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 10 15.353 0.930 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.706 -0.045 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.455 0.012 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.517 2.334 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.200 2.487 -4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.667 1.476 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.784 3.196 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.849 3.229 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.021 1.552 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.238 2.218 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.131 0.792 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.537 2.195 -0.493 1.00 0.00 H new ATOM 178 N LYS A 11 14.457 -1.952 -5.973 1.00 0.00 N ATOM 179 CA LYS A 11 14.837 -3.314 -6.321 1.00 0.00 C ATOM 180 C LYS A 11 14.859 -4.205 -5.083 1.00 0.00 C ATOM 181 O LYS A 11 15.476 -5.271 -5.087 1.00 0.00 O ATOM 182 CB LYS A 11 16.214 -3.327 -6.991 1.00 0.00 C ATOM 183 CG LYS A 11 16.280 -2.235 -8.068 1.00 0.00 C ATOM 184 CD LYS A 11 15.295 -2.553 -9.207 1.00 0.00 C ATOM 185 CE LYS A 11 14.079 -1.623 -9.121 1.00 0.00 C ATOM 186 NZ LYS A 11 13.166 -1.895 -10.269 1.00 0.00 N ATOM 0 H LYS A 11 13.582 -1.639 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 11 14.095 -3.704 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.992 -3.163 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.402 -4.303 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.040 -1.266 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.293 -2.164 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.789 -2.432 -10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.974 -3.593 -9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.553 -1.779 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.401 -0.582 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.340 -1.265 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.671 -1.725 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.849 -2.885 -10.234 1.00 0.00 H new ATOM 200 N GLU A 12 14.176 -3.769 -4.029 1.00 0.00 N ATOM 201 CA GLU A 12 14.117 -4.544 -2.792 1.00 0.00 C ATOM 202 C GLU A 12 12.778 -5.261 -2.681 1.00 0.00 C ATOM 203 O GLU A 12 11.730 -4.670 -2.925 1.00 0.00 O ATOM 204 CB GLU A 12 14.297 -3.628 -1.582 1.00 0.00 C ATOM 205 CG GLU A 12 15.676 -2.968 -1.633 1.00 0.00 C ATOM 206 CD GLU A 12 16.743 -3.949 -1.159 1.00 0.00 C ATOM 207 OE1 GLU A 12 17.113 -4.814 -1.936 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.175 -3.821 -0.025 1.00 0.00 O ATOM 0 H GLU A 12 13.659 -2.890 -4.005 1.00 0.00 H new ATOM 0 HA GLU A 12 14.921 -5.279 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.519 -2.865 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.192 -4.202 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.895 -2.643 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.685 -2.077 -1.005 1.00 0.00 H new ATOM 215 N LYS A 13 12.824 -6.537 -2.314 1.00 0.00 N ATOM 216 CA LYS A 13 11.611 -7.333 -2.174 1.00 0.00 C ATOM 217 C LYS A 13 11.294 -7.571 -0.701 1.00 0.00 C ATOM 218 O LYS A 13 12.185 -7.849 0.101 1.00 0.00 O ATOM 219 CB LYS A 13 11.778 -8.683 -2.891 1.00 0.00 C ATOM 220 CG LYS A 13 13.265 -9.049 -2.995 1.00 0.00 C ATOM 221 CD LYS A 13 13.885 -8.375 -4.229 1.00 0.00 C ATOM 222 CE LYS A 13 13.690 -9.265 -5.459 1.00 0.00 C ATOM 223 NZ LYS A 13 14.698 -10.361 -5.444 1.00 0.00 N ATOM 0 H LYS A 13 13.687 -7.041 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 13 10.786 -6.784 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.242 -9.461 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.339 -8.631 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.790 -8.732 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.378 -10.131 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.421 -7.403 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.947 -8.197 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.683 -9.683 -5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.793 -8.674 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.963 -10.602 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.542 -10.049 -4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.293 -11.198 -4.978 1.00 0.00 H new ATOM 237 N VAL A 14 10.013 -7.467 -0.358 1.00 0.00 N ATOM 238 CA VAL A 14 9.568 -7.679 1.017 1.00 0.00 C ATOM 239 C VAL A 14 8.598 -8.861 1.071 1.00 0.00 C ATOM 240 O VAL A 14 7.506 -8.791 0.507 1.00 0.00 O ATOM 241 CB VAL A 14 8.868 -6.420 1.533 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.666 -6.530 3.046 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.731 -5.195 1.224 1.00 0.00 C ATOM 0 H VAL A 14 9.265 -7.237 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 14 10.434 -7.894 1.643 1.00 0.00 H new ATOM 0 HB VAL A 14 7.899 -6.318 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.167 -5.633 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.052 -7.403 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.634 -6.633 3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.233 -4.297 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.699 -5.299 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.876 -5.115 0.147 1.00 0.00 H new ATOM 253 N PRO A 15 8.966 -9.944 1.717 1.00 0.00 N ATOM 254 CA PRO A 15 8.091 -11.147 1.807 1.00 0.00 C ATOM 255 C PRO A 15 6.968 -10.982 2.828 1.00 0.00 C ATOM 256 O PRO A 15 7.157 -10.384 3.888 1.00 0.00 O ATOM 257 CB PRO A 15 9.053 -12.258 2.224 1.00 0.00 C ATOM 258 CG PRO A 15 10.133 -11.570 2.994 1.00 0.00 C ATOM 259 CD PRO A 15 10.242 -10.148 2.429 1.00 0.00 C ATOM 0 HA PRO A 15 7.578 -11.348 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.549 -13.007 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.458 -12.776 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.895 -11.546 4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.080 -12.101 2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.377 -9.413 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.094 -10.051 1.756 1.00 0.00 H new ATOM 267 N LEU A 16 5.804 -11.526 2.492 1.00 0.00 N ATOM 268 CA LEU A 16 4.641 -11.451 3.372 1.00 0.00 C ATOM 269 C LEU A 16 3.765 -12.686 3.200 1.00 0.00 C ATOM 270 O LEU A 16 3.915 -13.439 2.239 1.00 0.00 O ATOM 271 CB LEU A 16 3.809 -10.206 3.040 1.00 0.00 C ATOM 272 CG LEU A 16 4.439 -8.964 3.674 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.690 -7.718 3.187 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.352 -9.046 5.206 1.00 0.00 C ATOM 0 H LEU A 16 5.639 -12.024 1.617 1.00 0.00 H new ATOM 0 HA LEU A 16 4.995 -11.396 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.746 -10.079 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.790 -10.333 3.406 1.00 0.00 H new ATOM 0 HG LEU A 16 5.488 -8.907 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.133 -6.829 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.761 -7.652 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.642 -7.787 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.804 -8.156 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.307 -9.108 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.884 -9.932 5.554 1.00 0.00 H new ATOM 286 N ASP A 17 2.836 -12.870 4.132 1.00 0.00 N ATOM 287 CA ASP A 17 1.912 -13.998 4.084 1.00 0.00 C ATOM 288 C ASP A 17 0.514 -13.529 4.458 1.00 0.00 C ATOM 289 O ASP A 17 0.333 -12.826 5.452 1.00 0.00 O ATOM 290 CB ASP A 17 2.354 -15.092 5.048 1.00 0.00 C ATOM 291 CG ASP A 17 2.247 -14.596 6.486 1.00 0.00 C ATOM 292 OD1 ASP A 17 2.541 -13.434 6.715 1.00 0.00 O ATOM 293 OD2 ASP A 17 1.873 -15.386 7.338 1.00 0.00 O ATOM 0 H ASP A 17 2.703 -12.251 4.932 1.00 0.00 H new ATOM 0 HA ASP A 17 1.907 -14.402 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.734 -15.978 4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.381 -15.385 4.832 1.00 0.00 H new ATOM 298 N LEU A 18 -0.469 -13.909 3.652 1.00 0.00 N ATOM 299 CA LEU A 18 -1.850 -13.499 3.903 1.00 0.00 C ATOM 300 C LEU A 18 -2.832 -14.633 3.645 1.00 0.00 C ATOM 301 O LEU A 18 -2.441 -15.764 3.355 1.00 0.00 O ATOM 302 CB LEU A 18 -2.209 -12.324 2.995 1.00 0.00 C ATOM 303 CG LEU A 18 -1.432 -11.071 3.430 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.536 -10.592 2.285 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.424 -9.968 3.802 1.00 0.00 C ATOM 0 H LEU A 18 -0.341 -14.494 2.826 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.922 -13.212 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.973 -12.568 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.281 -12.132 3.041 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.810 -11.311 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.012 -9.704 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.170 -11.380 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.151 -10.351 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.878 -9.077 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.046 -9.731 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.056 -10.309 4.622 1.00 0.00 H new ATOM 317 N GLU A 19 -4.119 -14.306 3.752 1.00 0.00 N ATOM 318 CA GLU A 19 -5.180 -15.281 3.529 1.00 0.00 C ATOM 319 C GLU A 19 -6.141 -14.776 2.452 1.00 0.00 C ATOM 320 O GLU A 19 -6.303 -13.569 2.277 1.00 0.00 O ATOM 321 CB GLU A 19 -5.943 -15.512 4.835 1.00 0.00 C ATOM 322 CG GLU A 19 -5.057 -16.290 5.810 1.00 0.00 C ATOM 323 CD GLU A 19 -5.811 -16.547 7.109 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.757 -17.319 7.081 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.432 -15.970 8.116 1.00 0.00 O ATOM 0 H GLU A 19 -4.450 -13.372 3.992 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.738 -16.219 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.234 -14.557 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.861 -16.066 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.754 -17.237 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.146 -15.728 6.014 1.00 0.00 H new ATOM 332 N PRO A 20 -6.779 -15.664 1.736 1.00 0.00 N ATOM 333 CA PRO A 20 -7.742 -15.282 0.665 1.00 0.00 C ATOM 334 C PRO A 20 -8.751 -14.252 1.157 1.00 0.00 C ATOM 335 O PRO A 20 -9.282 -13.461 0.377 1.00 0.00 O ATOM 336 CB PRO A 20 -8.450 -16.597 0.292 1.00 0.00 C ATOM 337 CG PRO A 20 -7.949 -17.646 1.241 1.00 0.00 C ATOM 338 CD PRO A 20 -6.660 -17.119 1.865 1.00 0.00 C ATOM 0 HA PRO A 20 -7.237 -14.821 -0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.532 -16.489 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.232 -16.874 -0.740 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.692 -17.853 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.766 -18.583 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.567 -17.422 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.780 -17.496 1.344 1.00 0.00 H new ATOM 346 N SER A 21 -9.014 -14.276 2.457 1.00 0.00 N ATOM 347 CA SER A 21 -9.972 -13.343 3.047 1.00 0.00 C ATOM 348 C SER A 21 -9.307 -12.009 3.363 1.00 0.00 C ATOM 349 O SER A 21 -9.955 -10.963 3.321 1.00 0.00 O ATOM 350 CB SER A 21 -10.563 -13.937 4.325 1.00 0.00 C ATOM 351 OG SER A 21 -9.509 -14.296 5.208 1.00 0.00 O ATOM 0 H SER A 21 -8.584 -14.922 3.119 1.00 0.00 H new ATOM 0 HA SER A 21 -10.769 -13.172 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.224 -13.214 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.167 -14.812 4.087 1.00 0.00 H new ATOM 0 HG SER A 21 -9.885 -14.676 6.029 1.00 0.00 H new ATOM 357 N ASN A 22 -8.012 -12.041 3.657 1.00 0.00 N ATOM 358 CA ASN A 22 -7.292 -10.812 3.948 1.00 0.00 C ATOM 359 C ASN A 22 -7.327 -9.927 2.714 1.00 0.00 C ATOM 360 O ASN A 22 -7.227 -10.421 1.590 1.00 0.00 O ATOM 361 CB ASN A 22 -5.845 -11.119 4.332 1.00 0.00 C ATOM 362 CG ASN A 22 -5.763 -11.510 5.804 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.257 -12.581 6.137 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.235 -10.698 6.711 1.00 0.00 N ATOM 0 H ASN A 22 -7.449 -12.890 3.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.764 -10.301 4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.460 -11.928 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.218 -10.247 4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.185 -10.951 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.654 -9.811 6.433 1.00 0.00 H new ATOM 371 N THR A 23 -7.495 -8.629 2.916 1.00 0.00 N ATOM 372 CA THR A 23 -7.569 -7.708 1.792 1.00 0.00 C ATOM 373 C THR A 23 -6.507 -6.624 1.869 1.00 0.00 C ATOM 374 O THR A 23 -5.950 -6.341 2.930 1.00 0.00 O ATOM 375 CB THR A 23 -8.963 -7.072 1.728 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.846 -5.697 1.390 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.648 -7.209 3.085 1.00 0.00 C ATOM 0 H THR A 23 -7.582 -8.194 3.834 1.00 0.00 H new ATOM 0 HA THR A 23 -7.384 -8.283 0.885 1.00 0.00 H new ATOM 0 HB THR A 23 -9.558 -7.580 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.838 -5.599 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.639 -6.757 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.742 -8.265 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.053 -6.703 3.846 1.00 0.00 H new ATOM 385 N ILE A 24 -6.246 -6.028 0.715 1.00 0.00 N ATOM 386 CA ILE A 24 -5.267 -4.971 0.583 1.00 0.00 C ATOM 387 C ILE A 24 -5.235 -4.090 1.820 1.00 0.00 C ATOM 388 O ILE A 24 -4.170 -3.690 2.280 1.00 0.00 O ATOM 389 CB ILE A 24 -5.636 -4.125 -0.635 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.925 -5.021 -1.848 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.504 -3.164 -0.961 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.920 -6.171 -1.918 1.00 0.00 C ATOM 0 H ILE A 24 -6.713 -6.269 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.279 -5.415 0.463 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.536 -3.556 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.937 -5.419 -1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.875 -4.431 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.775 -2.565 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.327 -2.508 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.598 -3.729 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.141 -6.795 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.911 -5.768 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.990 -6.771 -1.011 1.00 0.00 H new ATOM 404 N LEU A 25 -6.402 -3.788 2.354 1.00 0.00 N ATOM 405 CA LEU A 25 -6.483 -2.955 3.535 1.00 0.00 C ATOM 406 C LEU A 25 -5.498 -3.451 4.585 1.00 0.00 C ATOM 407 O LEU A 25 -4.764 -2.668 5.186 1.00 0.00 O ATOM 408 CB LEU A 25 -7.913 -3.001 4.084 1.00 0.00 C ATOM 409 CG LEU A 25 -8.042 -2.190 5.382 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.402 -2.935 6.564 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.381 -0.814 5.217 1.00 0.00 C ATOM 0 H LEU A 25 -7.301 -4.105 1.991 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.229 -1.927 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.604 -2.608 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.200 -4.036 4.270 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.103 -2.057 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.508 -2.338 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.900 -3.895 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.344 -3.101 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.480 -0.249 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.325 -0.944 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.869 -0.271 4.408 1.00 0.00 H new ATOM 423 N GLU A 26 -5.503 -4.759 4.807 1.00 0.00 N ATOM 424 CA GLU A 26 -4.622 -5.364 5.802 1.00 0.00 C ATOM 425 C GLU A 26 -3.201 -5.562 5.279 1.00 0.00 C ATOM 426 O GLU A 26 -2.241 -5.339 6.016 1.00 0.00 O ATOM 427 CB GLU A 26 -5.185 -6.715 6.250 1.00 0.00 C ATOM 428 CG GLU A 26 -6.511 -6.507 6.985 1.00 0.00 C ATOM 429 CD GLU A 26 -6.879 -7.767 7.760 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.477 -7.873 8.906 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.560 -8.609 7.195 1.00 0.00 O ATOM 0 H GLU A 26 -6.104 -5.420 4.315 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.575 -4.675 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.336 -7.361 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.472 -7.218 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.430 -5.661 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.298 -6.266 6.271 1.00 0.00 H new ATOM 438 N THR A 27 -3.047 -5.975 4.021 1.00 0.00 N ATOM 439 CA THR A 27 -1.707 -6.171 3.493 1.00 0.00 C ATOM 440 C THR A 27 -0.964 -4.846 3.550 1.00 0.00 C ATOM 441 O THR A 27 0.186 -4.781 3.979 1.00 0.00 O ATOM 442 CB THR A 27 -1.783 -6.737 2.065 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.989 -7.911 1.987 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.274 -5.718 1.051 1.00 0.00 C ATOM 0 H THR A 27 -3.808 -6.173 3.371 1.00 0.00 H new ATOM 0 HA THR A 27 -1.158 -6.897 4.093 1.00 0.00 H new ATOM 0 HB THR A 27 -2.823 -6.968 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.072 -7.705 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.337 -6.140 0.048 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.884 -4.816 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.237 -5.469 1.275 1.00 0.00 H new ATOM 452 N LYS A 28 -1.650 -3.789 3.147 1.00 0.00 N ATOM 453 CA LYS A 28 -1.069 -2.458 3.189 1.00 0.00 C ATOM 454 C LYS A 28 -0.653 -2.119 4.615 1.00 0.00 C ATOM 455 O LYS A 28 0.424 -1.570 4.837 1.00 0.00 O ATOM 456 CB LYS A 28 -2.079 -1.434 2.695 1.00 0.00 C ATOM 457 CG LYS A 28 -2.196 -1.535 1.177 1.00 0.00 C ATOM 458 CD LYS A 28 -2.852 -0.267 0.648 1.00 0.00 C ATOM 459 CE LYS A 28 -2.981 -0.336 -0.879 1.00 0.00 C ATOM 460 NZ LYS A 28 -2.110 0.704 -1.492 1.00 0.00 N ATOM 0 H LYS A 28 -2.604 -3.826 2.789 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.191 -2.436 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.050 -1.610 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.766 -0.430 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.210 -1.664 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.787 -2.408 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.837 -0.143 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.260 0.603 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.693 -1.325 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.018 -0.180 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.560 1.068 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.973 1.484 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.187 0.287 -1.731 1.00 0.00 H new ATOM 474 N THR A 29 -1.510 -2.454 5.585 1.00 0.00 N ATOM 475 CA THR A 29 -1.202 -2.179 6.980 1.00 0.00 C ATOM 476 C THR A 29 0.106 -2.853 7.373 1.00 0.00 C ATOM 477 O THR A 29 1.041 -2.198 7.833 1.00 0.00 O ATOM 478 CB THR A 29 -2.338 -2.687 7.874 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.557 -2.658 7.148 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.461 -1.795 9.107 1.00 0.00 C ATOM 0 H THR A 29 -2.409 -2.910 5.427 1.00 0.00 H new ATOM 0 HA THR A 29 -1.097 -1.102 7.111 1.00 0.00 H new ATOM 0 HB THR A 29 -2.122 -3.708 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.305 -2.829 7.758 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.270 -2.159 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.525 -1.815 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.676 -0.773 8.796 1.00 0.00 H new ATOM 488 N LYS A 30 0.167 -4.167 7.183 1.00 0.00 N ATOM 489 CA LYS A 30 1.369 -4.919 7.514 1.00 0.00 C ATOM 490 C LYS A 30 2.554 -4.385 6.719 1.00 0.00 C ATOM 491 O LYS A 30 3.541 -3.926 7.293 1.00 0.00 O ATOM 492 CB LYS A 30 1.161 -6.403 7.199 1.00 0.00 C ATOM 493 CG LYS A 30 2.417 -7.198 7.575 1.00 0.00 C ATOM 494 CD LYS A 30 2.476 -7.393 9.093 1.00 0.00 C ATOM 495 CE LYS A 30 3.463 -8.513 9.426 1.00 0.00 C ATOM 496 NZ LYS A 30 2.878 -9.825 9.028 1.00 0.00 N ATOM 0 H LYS A 30 -0.596 -4.728 6.805 1.00 0.00 H new ATOM 0 HA LYS A 30 1.574 -4.805 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.301 -6.783 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.943 -6.531 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.408 -8.167 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.308 -6.671 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.784 -6.466 9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.486 -7.640 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.405 -8.349 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.686 -8.511 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.303 -10.582 9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.850 -9.808 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.073 -10.001 8.022 1.00 0.00 H new ATOM 510 N LEU A 31 2.449 -4.448 5.396 1.00 0.00 N ATOM 511 CA LEU A 31 3.522 -3.967 4.538 1.00 0.00 C ATOM 512 C LEU A 31 4.053 -2.631 5.049 1.00 0.00 C ATOM 513 O LEU A 31 5.209 -2.280 4.811 1.00 0.00 O ATOM 514 CB LEU A 31 3.001 -3.806 3.106 1.00 0.00 C ATOM 515 CG LEU A 31 4.132 -3.347 2.182 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.276 -4.367 2.211 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.592 -3.226 0.755 1.00 0.00 C ATOM 0 H LEU A 31 1.641 -4.823 4.900 1.00 0.00 H new ATOM 0 HA LEU A 31 4.335 -4.692 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.593 -4.752 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.188 -3.080 3.086 1.00 0.00 H new ATOM 0 HG LEU A 31 4.508 -2.381 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.077 -4.034 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.657 -4.457 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.908 -5.336 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.391 -2.899 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.218 -4.195 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.782 -2.497 0.733 1.00 0.00 H new ATOM 529 N ALA A 32 3.205 -1.897 5.763 1.00 0.00 N ATOM 530 CA ALA A 32 3.605 -0.606 6.316 1.00 0.00 C ATOM 531 C ALA A 32 4.394 -0.814 7.606 1.00 0.00 C ATOM 532 O ALA A 32 5.392 -0.141 7.856 1.00 0.00 O ATOM 533 CB ALA A 32 2.366 0.263 6.593 1.00 0.00 C ATOM 0 H ALA A 32 2.245 -2.170 5.971 1.00 0.00 H new ATOM 0 HA ALA A 32 4.237 -0.094 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.679 1.222 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.822 0.428 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.718 -0.245 7.308 1.00 0.00 H new ATOM 539 N GLN A 33 3.934 -1.757 8.417 1.00 0.00 N ATOM 540 CA GLN A 33 4.593 -2.061 9.683 1.00 0.00 C ATOM 541 C GLN A 33 5.840 -2.904 9.446 1.00 0.00 C ATOM 542 O GLN A 33 6.687 -3.042 10.329 1.00 0.00 O ATOM 543 CB GLN A 33 3.633 -2.813 10.608 1.00 0.00 C ATOM 544 CG GLN A 33 2.559 -1.852 11.123 1.00 0.00 C ATOM 545 CD GLN A 33 3.142 -0.949 12.205 1.00 0.00 C ATOM 546 OE1 GLN A 33 3.520 0.189 11.929 1.00 0.00 O ATOM 547 NE2 GLN A 33 3.237 -1.392 13.429 1.00 0.00 N ATOM 0 H GLN A 33 3.109 -2.324 8.223 1.00 0.00 H new ATOM 0 HA GLN A 33 4.885 -1.122 10.153 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.168 -3.640 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.182 -3.244 11.445 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.176 -1.247 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.717 -2.416 11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.923 -2.336 13.656 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.625 -0.795 14.159 1.00 0.00 H new ATOM 556 N SER A 34 5.945 -3.460 8.247 1.00 0.00 N ATOM 557 CA SER A 34 7.091 -4.287 7.896 1.00 0.00 C ATOM 558 C SER A 34 8.291 -3.400 7.616 1.00 0.00 C ATOM 559 O SER A 34 9.379 -3.615 8.151 1.00 0.00 O ATOM 560 CB SER A 34 6.775 -5.130 6.660 1.00 0.00 C ATOM 561 OG SER A 34 7.878 -5.981 6.378 1.00 0.00 O ATOM 0 H SER A 34 5.254 -3.354 7.504 1.00 0.00 H new ATOM 0 HA SER A 34 7.316 -4.953 8.729 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.877 -5.724 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.572 -4.483 5.806 1.00 0.00 H new ATOM 0 HG SER A 34 7.678 -6.524 5.587 1.00 0.00 H new ATOM 567 N ILE A 35 8.077 -2.387 6.784 1.00 0.00 N ATOM 568 CA ILE A 35 9.129 -1.453 6.446 1.00 0.00 C ATOM 569 C ILE A 35 9.000 -0.211 7.315 1.00 0.00 C ATOM 570 O ILE A 35 9.883 0.646 7.328 1.00 0.00 O ATOM 571 CB ILE A 35 9.039 -1.088 4.966 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.785 -0.244 4.711 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.969 -2.368 4.130 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.553 -0.107 3.201 1.00 0.00 C ATOM 0 H ILE A 35 7.182 -2.197 6.334 1.00 0.00 H new ATOM 0 HA ILE A 35 10.101 -1.911 6.630 1.00 0.00 H new ATOM 0 HB ILE A 35 9.921 -0.513 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.919 -0.710 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.900 0.742 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.905 -2.109 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.864 -2.965 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.088 -2.942 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.661 0.493 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.415 0.379 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.418 -1.096 2.762 1.00 0.00 H new ATOM 586 N SER A 36 7.892 -0.133 8.058 1.00 0.00 N ATOM 587 CA SER A 36 7.652 0.999 8.954 1.00 0.00 C ATOM 588 C SER A 36 7.023 2.174 8.209 1.00 0.00 C ATOM 589 O SER A 36 7.112 3.319 8.651 1.00 0.00 O ATOM 590 CB SER A 36 8.963 1.445 9.611 1.00 0.00 C ATOM 591 OG SER A 36 8.684 1.967 10.904 1.00 0.00 O ATOM 0 H SER A 36 7.153 -0.836 8.056 1.00 0.00 H new ATOM 0 HA SER A 36 6.955 0.670 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.651 0.603 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.452 2.202 8.998 1.00 0.00 H new ATOM 0 HG SER A 36 9.520 2.252 11.329 1.00 0.00 H new ATOM 597 N CYS A 37 6.372 1.880 7.091 1.00 0.00 N ATOM 598 CA CYS A 37 5.711 2.916 6.304 1.00 0.00 C ATOM 599 C CYS A 37 4.234 2.966 6.664 1.00 0.00 C ATOM 600 O CYS A 37 3.784 2.243 7.550 1.00 0.00 O ATOM 601 CB CYS A 37 5.868 2.625 4.810 1.00 0.00 C ATOM 602 SG CYS A 37 7.487 3.212 4.247 1.00 0.00 S ATOM 0 H CYS A 37 6.287 0.938 6.709 1.00 0.00 H new ATOM 0 HA CYS A 37 6.172 3.878 6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.773 1.555 4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.075 3.118 4.247 1.00 0.00 H new ATOM 0 HG CYS A 37 7.804 2.613 3.138 1.00 0.00 H new ATOM 608 N GLU A 38 3.482 3.819 5.977 1.00 0.00 N ATOM 609 CA GLU A 38 2.052 3.941 6.240 1.00 0.00 C ATOM 610 C GLU A 38 1.247 3.393 5.061 1.00 0.00 C ATOM 611 O GLU A 38 1.697 3.429 3.916 1.00 0.00 O ATOM 612 CB GLU A 38 1.690 5.408 6.506 1.00 0.00 C ATOM 613 CG GLU A 38 1.293 6.094 5.200 1.00 0.00 C ATOM 614 CD GLU A 38 1.221 7.605 5.405 1.00 0.00 C ATOM 615 OE1 GLU A 38 2.124 8.142 6.025 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.265 8.201 4.938 1.00 0.00 O ATOM 0 H GLU A 38 3.834 4.431 5.241 1.00 0.00 H new ATOM 0 HA GLU A 38 1.804 3.356 7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.869 5.465 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.538 5.925 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.018 5.859 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.328 5.718 4.861 1.00 0.00 H new ATOM 623 N GLU A 39 0.056 2.889 5.358 1.00 0.00 N ATOM 624 CA GLU A 39 -0.819 2.331 4.327 1.00 0.00 C ATOM 625 C GLU A 39 -1.513 3.439 3.545 1.00 0.00 C ATOM 626 O GLU A 39 -2.012 3.220 2.441 1.00 0.00 O ATOM 627 CB GLU A 39 -1.878 1.410 4.956 1.00 0.00 C ATOM 628 CG GLU A 39 -2.527 2.080 6.173 1.00 0.00 C ATOM 629 CD GLU A 39 -3.246 3.359 5.755 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.868 3.347 4.705 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.164 4.328 6.490 1.00 0.00 O ATOM 0 H GLU A 39 -0.329 2.854 6.302 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.198 1.751 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.642 1.169 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.417 0.469 5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.234 1.394 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.766 2.310 6.919 1.00 0.00 H new ATOM 638 N SER A 40 -1.567 4.616 4.146 1.00 0.00 N ATOM 639 CA SER A 40 -2.238 5.760 3.526 1.00 0.00 C ATOM 640 C SER A 40 -1.389 6.410 2.431 1.00 0.00 C ATOM 641 O SER A 40 -1.858 7.318 1.744 1.00 0.00 O ATOM 642 CB SER A 40 -2.587 6.800 4.595 1.00 0.00 C ATOM 643 OG SER A 40 -1.559 6.835 5.575 1.00 0.00 O ATOM 0 H SER A 40 -1.157 4.810 5.060 1.00 0.00 H new ATOM 0 HA SER A 40 -3.148 5.387 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.702 7.783 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.540 6.552 5.061 1.00 0.00 H new ATOM 0 HG SER A 40 -1.108 7.705 5.545 1.00 0.00 H new ATOM 649 N GLN A 41 -0.155 5.946 2.256 1.00 0.00 N ATOM 650 CA GLN A 41 0.717 6.504 1.223 1.00 0.00 C ATOM 651 C GLN A 41 1.141 5.402 0.264 1.00 0.00 C ATOM 652 O GLN A 41 1.418 5.643 -0.910 1.00 0.00 O ATOM 653 CB GLN A 41 1.947 7.155 1.867 1.00 0.00 C ATOM 654 CG GLN A 41 3.065 6.125 1.993 1.00 0.00 C ATOM 655 CD GLN A 41 4.118 6.608 2.983 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.882 5.806 3.519 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.202 7.879 3.260 1.00 0.00 N ATOM 0 H GLN A 41 0.261 5.195 2.807 1.00 0.00 H new ATOM 0 HA GLN A 41 0.174 7.268 0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.282 7.998 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.689 7.549 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.655 5.171 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.523 5.954 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.567 8.541 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.903 8.211 3.923 1.00 0.00 H new ATOM 666 N ILE A 42 1.190 4.193 0.795 1.00 0.00 N ATOM 667 CA ILE A 42 1.580 3.030 0.034 1.00 0.00 C ATOM 668 C ILE A 42 0.567 2.720 -1.064 1.00 0.00 C ATOM 669 O ILE A 42 -0.642 2.860 -0.877 1.00 0.00 O ATOM 670 CB ILE A 42 1.709 1.854 1.011 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.185 1.582 1.294 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.056 0.597 0.446 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.300 0.716 2.544 1.00 0.00 C ATOM 0 H ILE A 42 0.959 3.995 1.769 1.00 0.00 H new ATOM 0 HA ILE A 42 2.532 3.214 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 42 1.198 2.120 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.645 1.078 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.720 2.521 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.163 -0.220 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.002 0.786 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.540 0.325 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.351 0.517 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.854 1.238 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.777 -0.227 2.383 1.00 0.00 H new ATOM 685 N LYS A 43 1.086 2.284 -2.205 1.00 0.00 N ATOM 686 CA LYS A 43 0.255 1.926 -3.349 1.00 0.00 C ATOM 687 C LYS A 43 0.687 0.563 -3.880 1.00 0.00 C ATOM 688 O LYS A 43 1.840 0.381 -4.267 1.00 0.00 O ATOM 689 CB LYS A 43 0.392 2.981 -4.451 1.00 0.00 C ATOM 690 CG LYS A 43 0.246 4.385 -3.846 1.00 0.00 C ATOM 691 CD LYS A 43 -0.499 5.294 -4.827 1.00 0.00 C ATOM 692 CE LYS A 43 -0.325 6.756 -4.408 1.00 0.00 C ATOM 693 NZ LYS A 43 -1.378 7.587 -5.056 1.00 0.00 N ATOM 0 H LYS A 43 2.087 2.169 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.788 1.881 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.361 2.885 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.369 2.823 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.296 4.330 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.229 4.800 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.116 5.147 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.557 5.035 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.392 6.845 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.664 7.113 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.260 8.580 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.293 7.510 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.317 7.251 -4.760 1.00 0.00 H new ATOM 707 N LEU A 44 -0.234 -0.397 -3.878 1.00 0.00 N ATOM 708 CA LEU A 44 0.084 -1.746 -4.346 1.00 0.00 C ATOM 709 C LEU A 44 -0.304 -1.933 -5.805 1.00 0.00 C ATOM 710 O LEU A 44 -1.480 -1.901 -6.163 1.00 0.00 O ATOM 711 CB LEU A 44 -0.632 -2.784 -3.480 1.00 0.00 C ATOM 712 CG LEU A 44 0.238 -3.113 -2.269 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.563 -1.824 -1.514 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.506 -4.075 -1.344 1.00 0.00 C ATOM 0 H LEU A 44 -1.196 -0.270 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 44 1.162 -1.884 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.599 -2.399 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.827 -3.687 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 44 1.163 -3.583 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.184 -2.056 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.099 -1.142 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.362 -1.354 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.119 -4.307 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.433 -3.611 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.735 -4.994 -1.883 1.00 0.00 H new ATOM 726 N ILE A 45 0.712 -2.119 -6.641 1.00 0.00 N ATOM 727 CA ILE A 45 0.512 -2.304 -8.068 1.00 0.00 C ATOM 728 C ILE A 45 0.557 -3.781 -8.423 1.00 0.00 C ATOM 729 O ILE A 45 1.544 -4.468 -8.159 1.00 0.00 O ATOM 730 CB ILE A 45 1.622 -1.589 -8.844 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.661 -0.072 -8.552 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.405 -1.807 -10.342 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.782 0.316 -7.367 1.00 0.00 C ATOM 0 H ILE A 45 1.689 -2.145 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.462 -1.892 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 45 2.574 -2.010 -8.523 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.689 0.230 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.334 0.474 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.192 -1.301 -10.901 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.433 -2.874 -10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.436 -1.402 -10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.845 1.392 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.252 0.041 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.124 -0.207 -6.474 1.00 0.00 H new ATOM 745 N TYR A 46 -0.514 -4.253 -9.043 1.00 0.00 N ATOM 746 CA TYR A 46 -0.600 -5.645 -9.464 1.00 0.00 C ATOM 747 C TYR A 46 -0.845 -5.692 -10.962 1.00 0.00 C ATOM 748 O TYR A 46 -1.927 -5.348 -11.437 1.00 0.00 O ATOM 749 CB TYR A 46 -1.736 -6.350 -8.714 1.00 0.00 C ATOM 750 CG TYR A 46 -1.745 -7.834 -9.030 1.00 0.00 C ATOM 751 CD1 TYR A 46 -0.596 -8.612 -8.821 1.00 0.00 C ATOM 752 CD2 TYR A 46 -2.912 -8.435 -9.522 1.00 0.00 C ATOM 753 CE1 TYR A 46 -0.618 -9.983 -9.106 1.00 0.00 C ATOM 754 CE2 TYR A 46 -2.931 -9.806 -9.806 1.00 0.00 C ATOM 755 CZ TYR A 46 -1.784 -10.579 -9.598 1.00 0.00 C ATOM 756 OH TYR A 46 -1.803 -11.931 -9.877 1.00 0.00 O ATOM 0 H TYR A 46 -1.337 -3.693 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 46 0.333 -6.159 -9.234 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.617 -6.202 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.692 -5.908 -8.993 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.305 -8.154 -8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.798 -7.839 -9.682 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.267 -10.581 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.831 -10.267 -10.186 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.690 -12.184 -10.209 1.00 0.00 H new ATOM 766 N SER A 47 0.176 -6.094 -11.703 1.00 0.00 N ATOM 767 CA SER A 47 0.074 -6.156 -13.150 1.00 0.00 C ATOM 768 C SER A 47 -0.040 -4.749 -13.727 1.00 0.00 C ATOM 769 O SER A 47 -0.625 -4.551 -14.792 1.00 0.00 O ATOM 770 CB SER A 47 -1.145 -6.988 -13.557 1.00 0.00 C ATOM 771 OG SER A 47 -2.219 -6.120 -13.894 1.00 0.00 O ATOM 0 H SER A 47 1.080 -6.381 -11.327 1.00 0.00 H new ATOM 0 HA SER A 47 0.973 -6.629 -13.545 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.897 -7.624 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.438 -7.647 -12.740 1.00 0.00 H new ATOM 0 HG SER A 47 -2.452 -5.571 -13.117 1.00 0.00 H new ATOM 777 N GLY A 48 0.520 -3.775 -13.013 1.00 0.00 N ATOM 778 CA GLY A 48 0.468 -2.392 -13.467 1.00 0.00 C ATOM 779 C GLY A 48 -0.887 -1.781 -13.141 1.00 0.00 C ATOM 780 O GLY A 48 -1.365 -0.893 -13.849 1.00 0.00 O ATOM 0 H GLY A 48 1.009 -3.917 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.260 -1.815 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.646 -2.348 -14.541 1.00 0.00 H new ATOM 784 N LYS A 49 -1.506 -2.270 -12.069 1.00 0.00 N ATOM 785 CA LYS A 49 -2.817 -1.774 -11.661 1.00 0.00 C ATOM 786 C LYS A 49 -2.798 -1.364 -10.194 1.00 0.00 C ATOM 787 O LYS A 49 -2.494 -2.172 -9.318 1.00 0.00 O ATOM 788 CB LYS A 49 -3.870 -2.866 -11.880 1.00 0.00 C ATOM 789 CG LYS A 49 -5.273 -2.343 -11.525 1.00 0.00 C ATOM 790 CD LYS A 49 -5.757 -1.321 -12.567 1.00 0.00 C ATOM 791 CE LYS A 49 -5.739 -1.940 -13.970 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.799 -1.306 -14.804 1.00 0.00 N ATOM 0 H LYS A 49 -1.124 -3.003 -11.472 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.066 -0.901 -12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.850 -3.195 -12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.634 -3.735 -11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.974 -3.176 -11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.254 -1.881 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.766 -0.991 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.118 -0.438 -12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.762 -1.794 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.905 -3.015 -13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.788 -1.725 -15.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.728 -1.467 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.621 -0.284 -14.873 1.00 0.00 H new ATOM 806 N VAL A 50 -3.126 -0.103 -9.935 1.00 0.00 N ATOM 807 CA VAL A 50 -3.143 0.404 -8.570 1.00 0.00 C ATOM 808 C VAL A 50 -4.281 -0.235 -7.773 1.00 0.00 C ATOM 809 O VAL A 50 -5.419 0.233 -7.816 1.00 0.00 O ATOM 810 CB VAL A 50 -3.317 1.924 -8.581 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.326 2.449 -7.145 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.157 2.563 -9.349 1.00 0.00 C ATOM 0 H VAL A 50 -3.382 0.581 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.195 0.149 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.260 2.178 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.450 3.532 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.151 1.994 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.384 2.196 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.279 3.646 -9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.215 2.308 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.150 2.190 -10.373 1.00 0.00 H new ATOM 822 N LEU A 51 -3.967 -1.306 -7.049 1.00 0.00 N ATOM 823 CA LEU A 51 -4.968 -2.002 -6.252 1.00 0.00 C ATOM 824 C LEU A 51 -5.740 -1.027 -5.372 1.00 0.00 C ATOM 825 O LEU A 51 -5.380 0.144 -5.254 1.00 0.00 O ATOM 826 CB LEU A 51 -4.292 -3.052 -5.365 1.00 0.00 C ATOM 827 CG LEU A 51 -3.917 -4.285 -6.200 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.737 -5.010 -5.543 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.120 -5.235 -6.287 1.00 0.00 C ATOM 0 H LEU A 51 -3.031 -1.708 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.665 -2.487 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.399 -2.630 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.962 -3.341 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.634 -3.968 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.472 -5.885 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.882 -4.337 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.017 -5.325 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.851 -6.109 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.407 -5.551 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.957 -4.720 -6.759 1.00 0.00 H new ATOM 841 N GLN A 52 -6.801 -1.530 -4.750 1.00 0.00 N ATOM 842 CA GLN A 52 -7.631 -0.714 -3.864 1.00 0.00 C ATOM 843 C GLN A 52 -7.684 -1.335 -2.471 1.00 0.00 C ATOM 844 O GLN A 52 -7.243 -2.464 -2.267 1.00 0.00 O ATOM 845 CB GLN A 52 -9.057 -0.587 -4.423 1.00 0.00 C ATOM 846 CG GLN A 52 -9.044 -0.815 -5.935 1.00 0.00 C ATOM 847 CD GLN A 52 -10.270 -0.170 -6.574 1.00 0.00 C ATOM 848 OE1 GLN A 52 -11.314 -0.051 -5.934 1.00 0.00 O ATOM 849 NE2 GLN A 52 -10.205 0.256 -7.806 1.00 0.00 N ATOM 0 H GLN A 52 -7.108 -2.498 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.186 0.279 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.712 -1.314 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.459 0.401 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.136 -0.394 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.033 -1.884 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.339 0.156 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.021 0.688 -8.240 1.00 0.00 H new ATOM 858 N ASP A 53 -8.222 -0.582 -1.522 1.00 0.00 N ATOM 859 CA ASP A 53 -8.329 -1.050 -0.144 1.00 0.00 C ATOM 860 C ASP A 53 -9.535 -1.968 0.042 1.00 0.00 C ATOM 861 O ASP A 53 -9.665 -2.630 1.072 1.00 0.00 O ATOM 862 CB ASP A 53 -8.481 0.151 0.784 1.00 0.00 C ATOM 863 CG ASP A 53 -7.250 1.045 0.688 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.207 0.639 1.171 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.370 2.125 0.132 1.00 0.00 O ATOM 0 H ASP A 53 -8.592 0.356 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.425 -1.611 0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.373 0.717 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.615 -0.188 1.811 1.00 0.00 H new ATOM 870 N SER A 54 -10.429 -1.981 -0.940 1.00 0.00 N ATOM 871 CA SER A 54 -11.640 -2.796 -0.848 1.00 0.00 C ATOM 872 C SER A 54 -11.510 -4.123 -1.599 1.00 0.00 C ATOM 873 O SER A 54 -12.507 -4.817 -1.796 1.00 0.00 O ATOM 874 CB SER A 54 -12.830 -2.007 -1.407 1.00 0.00 C ATOM 875 OG SER A 54 -13.436 -2.744 -2.462 1.00 0.00 O ATOM 0 H SER A 54 -10.342 -1.443 -1.802 1.00 0.00 H new ATOM 0 HA SER A 54 -11.797 -3.031 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.557 -1.818 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.496 -1.036 -1.773 1.00 0.00 H new ATOM 0 HG SER A 54 -13.731 -3.615 -2.125 1.00 0.00 H new ATOM 881 N LYS A 55 -10.298 -4.483 -2.018 1.00 0.00 N ATOM 882 CA LYS A 55 -10.108 -5.738 -2.741 1.00 0.00 C ATOM 883 C LYS A 55 -9.485 -6.803 -1.848 1.00 0.00 C ATOM 884 O LYS A 55 -8.654 -6.504 -0.992 1.00 0.00 O ATOM 885 CB LYS A 55 -9.199 -5.520 -3.949 1.00 0.00 C ATOM 886 CG LYS A 55 -9.913 -4.642 -4.976 1.00 0.00 C ATOM 887 CD LYS A 55 -9.092 -4.592 -6.269 1.00 0.00 C ATOM 888 CE LYS A 55 -9.964 -4.067 -7.414 1.00 0.00 C ATOM 889 NZ LYS A 55 -9.093 -3.482 -8.472 1.00 0.00 N ATOM 0 H LYS A 55 -9.449 -3.936 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.091 -6.078 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.268 -5.047 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.935 -6.478 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.908 -5.039 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.047 -3.636 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.224 -3.947 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.716 -5.586 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.565 -4.876 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.658 -3.314 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.612 -3.453 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.817 -2.517 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.240 -4.067 -8.583 1.00 0.00 H new ATOM 903 N THR A 56 -9.876 -8.053 -2.071 1.00 0.00 N ATOM 904 CA THR A 56 -9.326 -9.163 -1.302 1.00 0.00 C ATOM 905 C THR A 56 -8.336 -9.937 -2.154 1.00 0.00 C ATOM 906 O THR A 56 -8.507 -10.061 -3.366 1.00 0.00 O ATOM 907 CB THR A 56 -10.431 -10.097 -0.815 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.257 -10.476 -1.907 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.267 -9.392 0.246 1.00 0.00 C ATOM 0 H THR A 56 -10.566 -8.322 -2.772 1.00 0.00 H new ATOM 0 HA THR A 56 -8.817 -8.754 -0.429 1.00 0.00 H new ATOM 0 HB THR A 56 -9.982 -10.991 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.963 -11.077 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.055 -10.061 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.630 -9.116 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.714 -8.494 -0.181 1.00 0.00 H new ATOM 917 N VAL A 57 -7.300 -10.459 -1.520 1.00 0.00 N ATOM 918 CA VAL A 57 -6.291 -11.222 -2.251 1.00 0.00 C ATOM 919 C VAL A 57 -6.978 -12.194 -3.198 1.00 0.00 C ATOM 920 O VAL A 57 -6.447 -12.540 -4.253 1.00 0.00 O ATOM 921 CB VAL A 57 -5.387 -11.988 -1.273 1.00 0.00 C ATOM 922 CG1 VAL A 57 -4.968 -13.336 -1.875 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.133 -11.156 -0.987 1.00 0.00 C ATOM 0 H VAL A 57 -7.132 -10.374 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.672 -10.534 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.939 -12.167 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.328 -13.866 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.856 -13.934 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.422 -13.166 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.489 -11.696 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.595 -10.977 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.422 -10.202 -0.546 1.00 0.00 H new ATOM 933 N SER A 58 -8.164 -12.622 -2.806 1.00 0.00 N ATOM 934 CA SER A 58 -8.932 -13.551 -3.612 1.00 0.00 C ATOM 935 C SER A 58 -9.406 -12.873 -4.890 1.00 0.00 C ATOM 936 O SER A 58 -9.449 -13.492 -5.953 1.00 0.00 O ATOM 937 CB SER A 58 -10.131 -14.049 -2.813 1.00 0.00 C ATOM 938 OG SER A 58 -10.768 -15.102 -3.525 1.00 0.00 O ATOM 0 H SER A 58 -8.615 -12.341 -1.935 1.00 0.00 H new ATOM 0 HA SER A 58 -8.299 -14.397 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.808 -14.401 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.833 -13.233 -2.643 1.00 0.00 H new ATOM 0 HG SER A 58 -11.538 -15.425 -3.012 1.00 0.00 H new ATOM 944 N GLU A 59 -9.758 -11.594 -4.783 1.00 0.00 N ATOM 945 CA GLU A 59 -10.219 -10.847 -5.942 1.00 0.00 C ATOM 946 C GLU A 59 -9.027 -10.273 -6.705 1.00 0.00 C ATOM 947 O GLU A 59 -9.077 -10.118 -7.925 1.00 0.00 O ATOM 948 CB GLU A 59 -11.188 -9.740 -5.498 1.00 0.00 C ATOM 949 CG GLU A 59 -10.441 -8.424 -5.262 1.00 0.00 C ATOM 950 CD GLU A 59 -10.272 -7.675 -6.581 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.223 -7.037 -7.001 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.196 -7.749 -7.149 1.00 0.00 O ATOM 0 H GLU A 59 -9.732 -11.061 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.755 -11.516 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.956 -9.596 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.698 -10.043 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.991 -7.807 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.465 -8.625 -4.821 1.00 0.00 H new ATOM 959 N CYS A 60 -7.950 -9.966 -5.979 1.00 0.00 N ATOM 960 CA CYS A 60 -6.753 -9.421 -6.608 1.00 0.00 C ATOM 961 C CYS A 60 -6.159 -10.439 -7.574 1.00 0.00 C ATOM 962 O CYS A 60 -5.495 -10.076 -8.544 1.00 0.00 O ATOM 963 CB CYS A 60 -5.716 -9.062 -5.543 1.00 0.00 C ATOM 964 SG CYS A 60 -4.285 -8.284 -6.331 1.00 0.00 S ATOM 0 H CYS A 60 -7.885 -10.085 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.028 -8.521 -7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.153 -8.385 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.406 -9.958 -5.006 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.202 -8.680 -7.567 1.00 0.00 H new ATOM 970 N GLY A 61 -6.414 -11.715 -7.305 1.00 0.00 N ATOM 971 CA GLY A 61 -5.912 -12.785 -8.159 1.00 0.00 C ATOM 972 C GLY A 61 -4.569 -13.311 -7.662 1.00 0.00 C ATOM 973 O GLY A 61 -3.926 -14.118 -8.333 1.00 0.00 O ATOM 0 H GLY A 61 -6.963 -12.032 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.636 -13.600 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.805 -12.418 -9.180 1.00 0.00 H new ATOM 977 N LEU A 62 -4.144 -12.852 -6.487 1.00 0.00 N ATOM 978 CA LEU A 62 -2.875 -13.296 -5.932 1.00 0.00 C ATOM 979 C LEU A 62 -2.965 -14.740 -5.471 1.00 0.00 C ATOM 980 O LEU A 62 -4.011 -15.196 -5.011 1.00 0.00 O ATOM 981 CB LEU A 62 -2.470 -12.416 -4.748 1.00 0.00 C ATOM 982 CG LEU A 62 -2.084 -11.029 -5.247 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.266 -10.010 -4.122 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.621 -11.033 -5.702 1.00 0.00 C ATOM 0 H LEU A 62 -4.654 -12.183 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.123 -13.217 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.295 -12.341 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.633 -12.868 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.723 -10.759 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.989 -9.019 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.308 -10.003 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.630 -10.281 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.348 -10.040 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.020 -11.307 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.493 -11.755 -6.508 1.00 0.00 H new ATOM 996 N LYS A 63 -1.851 -15.445 -5.590 1.00 0.00 N ATOM 997 CA LYS A 63 -1.785 -16.840 -5.176 1.00 0.00 C ATOM 998 C LYS A 63 -0.658 -17.036 -4.170 1.00 0.00 C ATOM 999 O LYS A 63 -0.170 -16.073 -3.578 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.590 -17.746 -6.396 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.339 -17.325 -7.176 1.00 0.00 C ATOM 1002 CD LYS A 63 0.917 -17.869 -6.484 1.00 0.00 C ATOM 1003 CE LYS A 63 2.031 -18.076 -7.516 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.356 -17.994 -6.836 1.00 0.00 N ATOM 0 H LYS A 63 -0.980 -15.075 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.725 -17.112 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.495 -18.784 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.466 -17.691 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.393 -17.701 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.288 -16.238 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.248 -17.174 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.690 -18.812 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.918 -19.046 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.963 -17.319 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.992 -18.718 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.768 -17.051 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.233 -18.156 -5.816 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.255 -18.281 -3.971 1.00 0.00 N ATOM 1019 CA ASP A 64 0.807 -18.590 -3.019 1.00 0.00 C ATOM 1020 C ASP A 64 2.187 -18.419 -3.644 1.00 0.00 C ATOM 1021 O ASP A 64 2.528 -19.083 -4.623 1.00 0.00 O ATOM 1022 CB ASP A 64 0.650 -20.026 -2.515 1.00 0.00 C ATOM 1023 CG ASP A 64 0.819 -21.006 -3.671 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.160 -21.267 -4.349 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.927 -21.483 -3.859 1.00 0.00 O ATOM 0 H ASP A 64 -0.643 -19.092 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 64 0.722 -17.892 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.390 -20.232 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.332 -20.155 -2.059 1.00 0.00 H new ATOM 1030 N GLY A 65 2.987 -17.545 -3.043 1.00 0.00 N ATOM 1031 CA GLY A 65 4.349 -17.306 -3.519 1.00 0.00 C ATOM 1032 C GLY A 65 4.414 -16.284 -4.658 1.00 0.00 C ATOM 1033 O GLY A 65 5.482 -16.063 -5.228 1.00 0.00 O ATOM 0 H GLY A 65 2.720 -16.992 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.962 -16.956 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.780 -18.248 -3.858 1.00 0.00 H new ATOM 1037 N ASP A 66 3.286 -15.664 -4.996 1.00 0.00 N ATOM 1038 CA ASP A 66 3.278 -14.681 -6.080 1.00 0.00 C ATOM 1039 C ASP A 66 4.131 -13.467 -5.715 1.00 0.00 C ATOM 1040 O ASP A 66 4.782 -13.436 -4.670 1.00 0.00 O ATOM 1041 CB ASP A 66 1.839 -14.231 -6.385 1.00 0.00 C ATOM 1042 CG ASP A 66 1.615 -14.147 -7.895 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.071 -15.036 -8.595 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.990 -13.194 -8.327 1.00 0.00 O ATOM 0 H ASP A 66 2.383 -15.819 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 66 3.700 -15.153 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.131 -14.933 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.651 -13.259 -5.928 1.00 0.00 H new ATOM 1049 N GLN A 67 4.110 -12.465 -6.585 1.00 0.00 N ATOM 1050 CA GLN A 67 4.871 -11.240 -6.359 1.00 0.00 C ATOM 1051 C GLN A 67 4.030 -10.032 -6.750 1.00 0.00 C ATOM 1052 O GLN A 67 3.333 -10.056 -7.764 1.00 0.00 O ATOM 1053 CB GLN A 67 6.158 -11.260 -7.185 1.00 0.00 C ATOM 1054 CG GLN A 67 6.878 -12.594 -6.977 1.00 0.00 C ATOM 1055 CD GLN A 67 8.313 -12.495 -7.482 1.00 0.00 C ATOM 1056 OE1 GLN A 67 9.232 -13.010 -6.846 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.561 -11.860 -8.594 1.00 0.00 N ATOM 0 H GLN A 67 3.575 -12.475 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 67 5.129 -11.174 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.927 -11.120 -8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.806 -10.435 -6.888 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.873 -12.859 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.351 -13.388 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.797 -11.434 -9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.519 -11.789 -8.938 1.00 0.00 H new ATOM 1066 N VAL A 68 4.086 -8.981 -5.937 1.00 0.00 N ATOM 1067 CA VAL A 68 3.308 -7.779 -6.211 1.00 0.00 C ATOM 1068 C VAL A 68 4.200 -6.548 -6.247 1.00 0.00 C ATOM 1069 O VAL A 68 5.134 -6.419 -5.461 1.00 0.00 O ATOM 1070 CB VAL A 68 2.243 -7.601 -5.123 1.00 0.00 C ATOM 1071 CG1 VAL A 68 1.072 -6.778 -5.670 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.742 -8.978 -4.677 1.00 0.00 C ATOM 0 H VAL A 68 4.656 -8.937 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 68 2.833 -7.892 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 68 2.678 -7.077 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.319 -6.655 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.432 -5.798 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.632 -7.294 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.984 -8.856 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.309 -9.501 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.576 -9.558 -4.281 1.00 0.00 H new ATOM 1082 N VAL A 69 3.885 -5.631 -7.150 1.00 0.00 N ATOM 1083 CA VAL A 69 4.641 -4.398 -7.257 1.00 0.00 C ATOM 1084 C VAL A 69 3.993 -3.360 -6.355 1.00 0.00 C ATOM 1085 O VAL A 69 2.780 -3.373 -6.173 1.00 0.00 O ATOM 1086 CB VAL A 69 4.646 -3.908 -8.707 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.399 -2.578 -8.797 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.341 -4.946 -9.591 1.00 0.00 C ATOM 0 H VAL A 69 3.116 -5.719 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 69 5.674 -4.565 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 69 3.620 -3.767 -9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.402 -2.231 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.907 -1.838 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.426 -2.718 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.346 -4.599 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.367 -5.086 -9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.806 -5.894 -9.529 1.00 0.00 H new ATOM 1098 N PHE A 70 4.796 -2.483 -5.776 1.00 0.00 N ATOM 1099 CA PHE A 70 4.256 -1.462 -4.880 1.00 0.00 C ATOM 1100 C PHE A 70 5.165 -0.237 -4.821 1.00 0.00 C ATOM 1101 O PHE A 70 6.288 -0.256 -5.324 1.00 0.00 O ATOM 1102 CB PHE A 70 4.079 -2.051 -3.476 1.00 0.00 C ATOM 1103 CG PHE A 70 5.365 -1.926 -2.698 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.366 -2.893 -2.841 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.555 -0.844 -1.834 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.557 -2.776 -2.118 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.745 -0.725 -1.111 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.748 -1.692 -1.252 1.00 0.00 C ATOM 0 H PHE A 70 5.808 -2.452 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 70 3.289 -1.143 -5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.276 -1.531 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.787 -3.099 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.219 -3.729 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.781 -0.099 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.330 -3.522 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.891 0.112 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.668 -1.602 -0.693 1.00 0.00 H new ATOM 1118 N MET A 71 4.664 0.826 -4.197 1.00 0.00 N ATOM 1119 CA MET A 71 5.427 2.064 -4.066 1.00 0.00 C ATOM 1120 C MET A 71 4.940 2.864 -2.858 1.00 0.00 C ATOM 1121 O MET A 71 3.774 2.776 -2.475 1.00 0.00 O ATOM 1122 CB MET A 71 5.274 2.911 -5.333 1.00 0.00 C ATOM 1123 CG MET A 71 6.054 2.272 -6.485 1.00 0.00 C ATOM 1124 SD MET A 71 6.167 3.446 -7.859 1.00 0.00 S ATOM 1125 CE MET A 71 7.626 4.344 -7.278 1.00 0.00 C ATOM 0 H MET A 71 3.736 0.855 -3.775 1.00 0.00 H new ATOM 0 HA MET A 71 6.477 1.809 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.220 2.996 -5.599 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.640 3.922 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.052 1.990 -6.150 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.557 1.359 -6.813 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.537 5.396 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.702 4.252 -6.195 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.519 3.925 -7.741 1.00 0.00 H new ATOM 1135 N VAL A 72 5.840 3.647 -2.264 1.00 0.00 N ATOM 1136 CA VAL A 72 5.487 4.460 -1.101 1.00 0.00 C ATOM 1137 C VAL A 72 5.399 5.934 -1.482 1.00 0.00 C ATOM 1138 O VAL A 72 6.350 6.506 -2.015 1.00 0.00 O ATOM 1139 CB VAL A 72 6.529 4.282 0.006 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.994 4.879 1.310 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.807 2.791 0.205 1.00 0.00 C ATOM 0 H VAL A 72 6.810 3.735 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 72 4.514 4.129 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 72 7.451 4.791 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.735 4.753 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.792 5.941 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.073 4.369 1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.549 2.661 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.885 2.283 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.186 2.364 -0.724 1.00 0.00 H new ATOM 1151 N SER A 73 4.250 6.543 -1.204 1.00 0.00 N ATOM 1152 CA SER A 73 4.043 7.954 -1.519 1.00 0.00 C ATOM 1153 C SER A 73 4.337 8.820 -0.299 1.00 0.00 C ATOM 1154 O SER A 73 4.633 8.308 0.781 1.00 0.00 O ATOM 1155 CB SER A 73 2.600 8.179 -1.970 1.00 0.00 C ATOM 1156 OG SER A 73 2.311 7.318 -3.063 1.00 0.00 O ATOM 0 H SER A 73 3.452 6.085 -0.764 1.00 0.00 H new ATOM 0 HA SER A 73 4.723 8.234 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.914 7.982 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.456 9.219 -2.263 1.00 0.00 H new ATOM 0 HG SER A 73 1.925 6.482 -2.728 1.00 0.00 H new ATOM 1162 N GLN A 74 4.252 10.136 -0.476 1.00 0.00 N ATOM 1163 CA GLN A 74 4.511 11.062 0.621 1.00 0.00 C ATOM 1164 C GLN A 74 3.241 11.277 1.442 1.00 0.00 C ATOM 1165 O GLN A 74 2.138 10.977 0.987 1.00 0.00 O ATOM 1166 CB GLN A 74 5.007 12.406 0.068 1.00 0.00 C ATOM 1167 CG GLN A 74 6.115 12.965 0.964 1.00 0.00 C ATOM 1168 CD GLN A 74 6.652 14.266 0.379 1.00 0.00 C ATOM 1169 OE1 GLN A 74 7.632 14.256 -0.365 1.00 0.00 O ATOM 1170 NE2 GLN A 74 6.063 15.394 0.670 1.00 0.00 N ATOM 0 H GLN A 74 4.008 10.581 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 74 5.280 10.635 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.381 12.275 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.180 13.114 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.728 13.140 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.922 12.238 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.251 15.401 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.415 16.268 0.280 1.00 0.00 H new ATOM 1179 N LYS A 75 3.407 11.796 2.654 1.00 0.00 N ATOM 1180 CA LYS A 75 2.268 12.045 3.531 1.00 0.00 C ATOM 1181 C LYS A 75 1.607 13.376 3.188 1.00 0.00 C ATOM 1182 O LYS A 75 1.384 14.212 4.063 1.00 0.00 O ATOM 1183 CB LYS A 75 2.730 12.060 4.990 1.00 0.00 C ATOM 1184 CG LYS A 75 3.745 13.191 5.199 1.00 0.00 C ATOM 1185 CD LYS A 75 4.756 12.785 6.274 1.00 0.00 C ATOM 1186 CE LYS A 75 4.022 12.494 7.585 1.00 0.00 C ATOM 1187 NZ LYS A 75 4.994 12.515 8.714 1.00 0.00 N ATOM 0 H LYS A 75 4.312 12.051 3.050 1.00 0.00 H new ATOM 0 HA LYS A 75 1.540 11.247 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.875 12.199 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.180 11.102 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.261 13.407 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.230 14.104 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.310 11.903 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.484 13.582 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.241 13.237 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.531 11.522 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.495 12.317 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.724 11.791 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.442 13.452 8.769 1.00 0.00 H new ATOM 1201 N LYS A 76 1.294 13.564 1.911 1.00 0.00 N ATOM 1202 CA LYS A 76 0.658 14.799 1.465 1.00 0.00 C ATOM 1203 C LYS A 76 -0.508 15.155 2.383 1.00 0.00 C ATOM 1204 O LYS A 76 -0.622 16.292 2.844 1.00 0.00 O ATOM 1205 CB LYS A 76 0.153 14.636 0.027 1.00 0.00 C ATOM 1206 CG LYS A 76 1.319 14.816 -0.957 1.00 0.00 C ATOM 1207 CD LYS A 76 1.466 16.298 -1.320 1.00 0.00 C ATOM 1208 CE LYS A 76 2.847 16.543 -1.931 1.00 0.00 C ATOM 1209 NZ LYS A 76 2.966 15.790 -3.211 1.00 0.00 N ATOM 0 H LYS A 76 1.468 12.884 1.171 1.00 0.00 H new ATOM 0 HA LYS A 76 1.393 15.603 1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.295 13.651 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.626 15.370 -0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.243 14.448 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.142 14.227 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.688 16.589 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.336 16.915 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.994 17.608 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.625 16.226 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.812 16.110 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.048 14.773 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.122 15.960 -3.794 1.00 0.00 H new ATOM 1223 N SER A 77 -1.370 14.179 2.644 1.00 0.00 N ATOM 1224 CA SER A 77 -2.524 14.400 3.508 1.00 0.00 C ATOM 1225 C SER A 77 -3.215 15.712 3.156 1.00 0.00 C ATOM 1226 O SER A 77 -2.976 16.741 3.790 1.00 0.00 O ATOM 1227 CB SER A 77 -2.083 14.430 4.972 1.00 0.00 C ATOM 1228 OG SER A 77 -1.250 15.562 5.187 1.00 0.00 O ATOM 0 H SER A 77 -1.293 13.232 2.272 1.00 0.00 H new ATOM 0 HA SER A 77 -3.227 13.581 3.358 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.954 14.475 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.545 13.515 5.221 1.00 0.00 H new ATOM 0 HG SER A 77 -1.414 16.227 4.486 1.00 0.00 H new ATOM 1234 N THR A 78 -4.073 15.670 2.142 1.00 0.00 N ATOM 1235 CA THR A 78 -4.795 16.863 1.713 1.00 0.00 C ATOM 1236 C THR A 78 -3.834 18.033 1.523 1.00 0.00 C ATOM 1237 O THR A 78 -3.973 19.010 2.239 1.00 0.00 O ATOM 1238 CB THR A 78 -5.853 17.234 2.753 1.00 0.00 C ATOM 1239 OG1 THR A 78 -5.211 17.656 3.949 1.00 0.00 O ATOM 1240 CG2 THR A 78 -6.732 16.017 3.045 1.00 0.00 C ATOM 0 H THR A 78 -4.285 14.829 1.605 1.00 0.00 H new ATOM 0 HA THR A 78 -5.280 16.648 0.761 1.00 0.00 H new ATOM 0 HB THR A 78 -6.474 18.043 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.274 17.871 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.486 16.282 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.223 15.694 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.114 15.206 3.430 1.00 0.00 H new TER 1248 THR A 78