USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 Single : A 1 LEU N :NH3+ -103:sc= -0.0073 (180deg=-0.714) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.7) USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= -0.513 (180deg=-1.03) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 19 ASN : amide:sc= -1.73! C(o=-1.7!,f=-6.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0.0348 (180deg=0.031) USER MOD Single : A 24 MET CE :methyl -123:sc= -2.06! (180deg=-3.35!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -142:sc= -0.43 (180deg=-2.04!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.121 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.305 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.27) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 60 ASN : amide:sc= -9.89! C(o=-9.9!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.897 12.012 -1.306 1.00 0.00 N ATOM 2 CA LEU A 1 6.500 10.895 -0.466 1.00 0.00 C ATOM 3 C LEU A 1 7.033 9.594 -1.068 1.00 0.00 C ATOM 4 O LEU A 1 6.802 9.309 -2.243 1.00 0.00 O ATOM 5 CB LEU A 1 4.984 10.899 -0.253 1.00 0.00 C ATOM 6 CG LEU A 1 4.485 11.627 0.997 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.089 11.019 2.264 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.751 13.130 0.898 1.00 0.00 C ATOM 0 H1 LEU A 1 7.694 12.513 -0.863 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.187 11.658 -2.240 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.095 12.665 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 1 6.939 10.989 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.515 11.354 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.640 9.866 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 1 3.405 11.495 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.718 11.555 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.805 9.969 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.175 11.099 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.387 13.624 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.822 13.304 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.234 13.535 0.028 1.00 0.00 H new ATOM 20 N LYS A 2 7.737 8.839 -0.238 1.00 0.00 N ATOM 21 CA LYS A 2 8.305 7.574 -0.674 1.00 0.00 C ATOM 22 C LYS A 2 7.874 6.468 0.291 1.00 0.00 C ATOM 23 O LYS A 2 7.750 6.700 1.493 1.00 0.00 O ATOM 24 CB LYS A 2 9.821 7.696 -0.833 1.00 0.00 C ATOM 25 CG LYS A 2 10.179 8.690 -1.939 1.00 0.00 C ATOM 26 CD LYS A 2 11.451 9.464 -1.590 1.00 0.00 C ATOM 27 CE LYS A 2 12.453 9.421 -2.746 1.00 0.00 C ATOM 28 NZ LYS A 2 12.759 10.790 -3.219 1.00 0.00 N ATOM 0 H LYS A 2 7.927 9.079 0.735 1.00 0.00 H new ATOM 0 HA LYS A 2 7.925 7.303 -1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.264 8.020 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.245 6.719 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.320 8.158 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.354 9.387 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.200 10.499 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.905 9.040 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.370 8.929 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.046 8.829 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.440 10.742 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.885 11.247 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.167 11.344 -2.439 1.00 0.00 H new ATOM 42 N CYS A 3 7.658 5.287 -0.272 1.00 0.00 N ATOM 43 CA CYS A 3 7.245 4.144 0.523 1.00 0.00 C ATOM 44 C CYS A 3 8.066 2.930 0.082 1.00 0.00 C ATOM 45 O CYS A 3 8.700 2.954 -0.972 1.00 0.00 O ATOM 46 CB CYS A 3 5.741 3.888 0.406 1.00 0.00 C ATOM 47 SG CYS A 3 4.693 4.999 1.415 1.00 0.00 S ATOM 0 H CYS A 3 7.762 5.098 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 3 7.432 4.345 1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.450 3.987 -0.640 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.538 2.857 0.697 1.00 0.00 H new ATOM 52 N ASN A 4 8.029 1.898 0.912 1.00 0.00 N ATOM 53 CA ASN A 4 8.761 0.677 0.621 1.00 0.00 C ATOM 54 C ASN A 4 8.042 -0.092 -0.489 1.00 0.00 C ATOM 55 O ASN A 4 6.899 0.218 -0.825 1.00 0.00 O ATOM 56 CB ASN A 4 8.834 -0.228 1.852 1.00 0.00 C ATOM 57 CG ASN A 4 9.030 0.595 3.127 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.995 1.325 3.282 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.065 0.436 4.027 1.00 0.00 N ATOM 0 H ASN A 4 7.503 1.882 1.786 1.00 0.00 H new ATOM 0 HA ASN A 4 9.770 0.954 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.919 -0.815 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.657 -0.934 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.105 0.942 4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.285 -0.192 3.833 1.00 0.00 H new ATOM 66 N LYS A 5 8.741 -1.081 -1.030 1.00 0.00 N ATOM 67 CA LYS A 5 8.183 -1.896 -2.094 1.00 0.00 C ATOM 68 C LYS A 5 7.570 -3.162 -1.494 1.00 0.00 C ATOM 69 O LYS A 5 7.298 -3.216 -0.296 1.00 0.00 O ATOM 70 CB LYS A 5 9.239 -2.173 -3.166 1.00 0.00 C ATOM 71 CG LYS A 5 9.669 -0.878 -3.861 1.00 0.00 C ATOM 72 CD LYS A 5 8.955 -0.714 -5.205 1.00 0.00 C ATOM 73 CE LYS A 5 7.472 -0.399 -5.003 1.00 0.00 C ATOM 74 NZ LYS A 5 7.308 0.796 -4.146 1.00 0.00 N ATOM 0 H LYS A 5 9.688 -1.335 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 5 7.379 -1.362 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.107 -2.651 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.840 -2.870 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.445 -0.025 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.748 -0.885 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.426 0.086 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.060 -1.627 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.995 -0.230 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.972 -1.253 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.566 1.408 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.038 0.500 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.205 1.321 -4.107 1.00 0.00 H new ATOM 88 N LEU A 6 7.370 -4.149 -2.355 1.00 0.00 N ATOM 89 CA LEU A 6 6.794 -5.413 -1.924 1.00 0.00 C ATOM 90 C LEU A 6 7.427 -5.829 -0.594 1.00 0.00 C ATOM 91 O LEU A 6 6.759 -6.412 0.259 1.00 0.00 O ATOM 92 CB LEU A 6 6.928 -6.466 -3.025 1.00 0.00 C ATOM 93 CG LEU A 6 5.760 -7.445 -3.163 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.782 -8.485 -2.041 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.425 -6.699 -3.227 1.00 0.00 C ATOM 0 H LEU A 6 7.596 -4.100 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 6 5.724 -5.304 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.060 -5.952 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.837 -7.039 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 6 5.874 -7.983 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.942 -9.169 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.715 -9.046 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.705 -7.982 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.611 -7.417 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.289 -6.118 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.423 -6.029 -4.087 1.00 0.00 H new ATOM 107 N VAL A 7 8.707 -5.514 -0.459 1.00 0.00 N ATOM 108 CA VAL A 7 9.436 -5.848 0.752 1.00 0.00 C ATOM 109 C VAL A 7 10.259 -4.637 1.198 1.00 0.00 C ATOM 110 O VAL A 7 10.784 -3.899 0.365 1.00 0.00 O ATOM 111 CB VAL A 7 10.288 -7.098 0.521 1.00 0.00 C ATOM 112 CG1 VAL A 7 10.580 -7.813 1.842 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.616 -8.043 -0.477 1.00 0.00 C ATOM 0 H VAL A 7 9.258 -5.031 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 7 8.745 -6.086 1.561 1.00 0.00 H new ATOM 0 HB VAL A 7 11.239 -6.781 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.187 -8.698 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.120 -7.140 2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.642 -8.111 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.242 -8.923 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.644 -8.349 -0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.482 -7.531 -1.430 1.00 0.00 H new ATOM 123 N PRO A 8 10.346 -4.471 2.509 1.00 0.00 N ATOM 124 CA PRO A 8 11.118 -3.328 3.092 1.00 0.00 C ATOM 125 C PRO A 8 12.659 -3.205 2.829 1.00 0.00 C ATOM 126 O PRO A 8 13.332 -2.373 3.436 1.00 0.00 O ATOM 127 CB PRO A 8 10.781 -3.435 4.597 1.00 0.00 C ATOM 128 CG PRO A 8 9.554 -4.344 4.686 1.00 0.00 C ATOM 129 CD PRO A 8 9.739 -5.342 3.545 1.00 0.00 C ATOM 0 HA PRO A 8 10.815 -2.411 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.618 -3.852 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.572 -2.453 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.502 -4.848 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.630 -3.777 4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.391 -6.170 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.794 -5.776 3.218 1.00 0.00 H new ATOM 137 N ILE A 9 13.142 -4.048 1.928 1.00 0.00 N ATOM 138 CA ILE A 9 14.554 -4.047 1.585 1.00 0.00 C ATOM 139 C ILE A 9 14.773 -3.170 0.350 1.00 0.00 C ATOM 140 O ILE A 9 15.909 -2.949 -0.066 1.00 0.00 O ATOM 141 CB ILE A 9 15.067 -5.479 1.419 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.913 -5.901 2.622 1.00 0.00 C ATOM 143 CG2 ILE A 9 15.824 -5.642 0.100 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.089 -6.726 3.611 1.00 0.00 C ATOM 0 H ILE A 9 12.581 -4.736 1.425 1.00 0.00 H new ATOM 0 HA ILE A 9 15.142 -3.614 2.394 1.00 0.00 H new ATOM 0 HB ILE A 9 14.207 -6.147 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.769 -6.484 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.308 -5.016 3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.177 -6.669 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.159 -5.411 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.676 -4.962 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.715 -7.012 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.247 -6.132 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.716 -7.622 3.115 1.00 0.00 H new ATOM 156 N ALA A 10 13.666 -2.693 -0.201 1.00 0.00 N ATOM 157 CA ALA A 10 13.723 -1.845 -1.380 1.00 0.00 C ATOM 158 C ALA A 10 12.490 -0.939 -1.410 1.00 0.00 C ATOM 159 O ALA A 10 11.360 -1.421 -1.361 1.00 0.00 O ATOM 160 CB ALA A 10 13.837 -2.717 -2.632 1.00 0.00 C ATOM 0 H ALA A 10 12.725 -2.877 0.147 1.00 0.00 H new ATOM 0 HA ALA A 10 14.604 -1.203 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.880 -2.081 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.744 -3.319 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.969 -3.373 -2.699 1.00 0.00 H new ATOM 166 N TYR A 11 12.750 0.358 -1.491 1.00 0.00 N ATOM 167 CA TYR A 11 11.676 1.335 -1.528 1.00 0.00 C ATOM 168 C TYR A 11 11.852 2.298 -2.705 1.00 0.00 C ATOM 169 O TYR A 11 12.972 2.544 -3.149 1.00 0.00 O ATOM 170 CB TYR A 11 11.776 2.123 -0.221 1.00 0.00 C ATOM 171 CG TYR A 11 13.067 2.933 -0.080 1.00 0.00 C ATOM 172 CD1 TYR A 11 13.175 4.170 -0.684 1.00 0.00 C ATOM 173 CD2 TYR A 11 14.122 2.428 0.652 1.00 0.00 C ATOM 174 CE1 TYR A 11 14.389 4.931 -0.552 1.00 0.00 C ATOM 175 CE2 TYR A 11 15.337 3.190 0.783 1.00 0.00 C ATOM 176 CZ TYR A 11 15.410 4.405 0.176 1.00 0.00 C ATOM 177 OH TYR A 11 16.557 5.124 0.301 1.00 0.00 O ATOM 0 H TYR A 11 13.689 0.754 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 11 10.712 0.841 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.925 2.800 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.701 1.429 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.349 4.566 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.037 1.462 1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.487 5.899 -1.021 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.171 2.805 1.350 1.00 0.00 H new ATOM 0 HH TYR A 11 17.198 4.625 0.849 1.00 0.00 H new ATOM 187 N LYS A 12 10.727 2.818 -3.175 1.00 0.00 N ATOM 188 CA LYS A 12 10.743 3.748 -4.292 1.00 0.00 C ATOM 189 C LYS A 12 9.791 4.908 -3.996 1.00 0.00 C ATOM 190 O LYS A 12 9.176 4.955 -2.932 1.00 0.00 O ATOM 191 CB LYS A 12 10.437 3.019 -5.601 1.00 0.00 C ATOM 192 CG LYS A 12 11.561 2.048 -5.965 1.00 0.00 C ATOM 193 CD LYS A 12 12.568 2.705 -6.910 1.00 0.00 C ATOM 194 CE LYS A 12 13.935 2.854 -6.238 1.00 0.00 C ATOM 195 NZ LYS A 12 14.837 3.676 -7.075 1.00 0.00 N ATOM 0 H LYS A 12 9.800 2.613 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 12 11.738 4.175 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.498 2.474 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.305 3.745 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.069 1.718 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.141 1.160 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.667 2.106 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.200 3.685 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.817 3.316 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.376 1.871 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.760 3.767 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.964 3.219 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.422 4.620 -7.209 1.00 0.00 H new ATOM 209 N THR A 13 9.699 5.816 -4.957 1.00 0.00 N ATOM 210 CA THR A 13 8.833 6.973 -4.813 1.00 0.00 C ATOM 211 C THR A 13 7.421 6.648 -5.304 1.00 0.00 C ATOM 212 O THR A 13 7.244 5.798 -6.176 1.00 0.00 O ATOM 213 CB THR A 13 9.479 8.144 -5.555 1.00 0.00 C ATOM 214 OG1 THR A 13 10.876 7.956 -5.351 1.00 0.00 O ATOM 215 CG2 THR A 13 9.184 9.492 -4.895 1.00 0.00 C ATOM 0 H THR A 13 10.210 5.773 -5.839 1.00 0.00 H new ATOM 0 HA THR A 13 8.722 7.255 -3.766 1.00 0.00 H new ATOM 0 HB THR A 13 9.124 8.160 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.372 8.672 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.666 10.288 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.107 9.660 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.568 9.489 -3.875 1.00 0.00 H new ATOM 223 N CYS A 14 6.451 7.339 -4.723 1.00 0.00 N ATOM 224 CA CYS A 14 5.061 7.133 -5.091 1.00 0.00 C ATOM 225 C CYS A 14 4.844 7.712 -6.491 1.00 0.00 C ATOM 226 O CYS A 14 4.850 8.929 -6.670 1.00 0.00 O ATOM 227 CB CYS A 14 4.107 7.747 -4.064 1.00 0.00 C ATOM 228 SG CYS A 14 4.162 6.973 -2.407 1.00 0.00 S ATOM 0 H CYS A 14 6.601 8.042 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 14 4.839 6.066 -5.102 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.339 8.807 -3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.089 7.679 -4.448 1.00 0.00 H new ATOM 233 N PRO A 15 4.657 6.813 -7.445 1.00 0.00 N ATOM 234 CA PRO A 15 4.431 7.232 -8.865 1.00 0.00 C ATOM 235 C PRO A 15 3.384 8.351 -9.199 1.00 0.00 C ATOM 236 O PRO A 15 2.580 8.728 -8.347 1.00 0.00 O ATOM 237 CB PRO A 15 4.105 5.890 -9.558 1.00 0.00 C ATOM 238 CG PRO A 15 3.739 4.918 -8.435 1.00 0.00 C ATOM 239 CD PRO A 15 4.626 5.339 -7.266 1.00 0.00 C ATOM 0 HA PRO A 15 5.317 7.762 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.280 6.004 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.961 5.526 -10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.682 4.988 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.929 3.885 -8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.203 5.050 -6.304 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.620 4.896 -7.323 1.00 0.00 H new ATOM 247 N GLU A 16 3.448 8.827 -10.434 1.00 0.00 N ATOM 248 CA GLU A 16 2.538 9.867 -10.883 1.00 0.00 C ATOM 249 C GLU A 16 1.091 9.378 -10.801 1.00 0.00 C ATOM 250 O GLU A 16 0.792 8.247 -11.181 1.00 0.00 O ATOM 251 CB GLU A 16 2.884 10.325 -12.300 1.00 0.00 C ATOM 252 CG GLU A 16 4.275 10.958 -12.348 1.00 0.00 C ATOM 253 CD GLU A 16 4.217 12.366 -12.946 1.00 0.00 C ATOM 254 OE1 GLU A 16 4.008 12.452 -14.174 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.382 13.323 -12.159 1.00 0.00 O ATOM 0 H GLU A 16 4.116 8.512 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 16 2.647 10.728 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.844 9.475 -12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.141 11.044 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.693 11.003 -11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.942 10.334 -12.942 1.00 0.00 H new ATOM 262 N GLY A 17 0.230 10.254 -10.305 1.00 0.00 N ATOM 263 CA GLY A 17 -1.179 9.925 -10.171 1.00 0.00 C ATOM 264 C GLY A 17 -1.512 9.520 -8.733 1.00 0.00 C ATOM 265 O GLY A 17 -2.651 9.666 -8.291 1.00 0.00 O ATOM 0 H GLY A 17 0.481 11.191 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.786 10.783 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.432 9.111 -10.850 1.00 0.00 H new ATOM 269 N LYS A 18 -0.498 9.019 -8.043 1.00 0.00 N ATOM 270 CA LYS A 18 -0.670 8.591 -6.665 1.00 0.00 C ATOM 271 C LYS A 18 -0.272 9.734 -5.728 1.00 0.00 C ATOM 272 O LYS A 18 0.434 10.656 -6.132 1.00 0.00 O ATOM 273 CB LYS A 18 0.096 7.291 -6.408 1.00 0.00 C ATOM 274 CG LYS A 18 -0.465 6.148 -7.257 1.00 0.00 C ATOM 275 CD LYS A 18 0.153 6.151 -8.658 1.00 0.00 C ATOM 276 CE LYS A 18 -0.932 6.140 -9.735 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.349 5.810 -11.055 1.00 0.00 N ATOM 0 H LYS A 18 0.445 8.900 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.717 8.362 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.152 7.435 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.032 7.030 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.263 5.195 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.548 6.244 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.783 7.032 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.798 5.280 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.701 5.411 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.419 7.114 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.111 5.707 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.293 6.573 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.182 4.918 -10.987 1.00 0.00 H new ATOM 291 N ASN A 19 -0.743 9.636 -4.494 1.00 0.00 N ATOM 292 CA ASN A 19 -0.446 10.649 -3.496 1.00 0.00 C ATOM 293 C ASN A 19 -0.317 9.986 -2.124 1.00 0.00 C ATOM 294 O ASN A 19 0.599 10.295 -1.364 1.00 0.00 O ATOM 295 CB ASN A 19 -1.566 11.688 -3.416 1.00 0.00 C ATOM 296 CG ASN A 19 -1.387 12.594 -2.196 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.435 12.160 -1.057 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.182 13.872 -2.497 1.00 0.00 N ATOM 0 H ASN A 19 -1.329 8.870 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 19 0.483 11.142 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.573 12.291 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.531 11.184 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.053 14.557 -1.752 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.153 14.168 -3.473 1.00 0.00 H new ATOM 305 N LEU A 20 -1.248 9.085 -1.847 1.00 0.00 N ATOM 306 CA LEU A 20 -1.250 8.375 -0.579 1.00 0.00 C ATOM 307 C LEU A 20 -0.648 6.983 -0.779 1.00 0.00 C ATOM 308 O LEU A 20 -0.545 6.502 -1.906 1.00 0.00 O ATOM 309 CB LEU A 20 -2.657 8.355 0.022 1.00 0.00 C ATOM 310 CG LEU A 20 -3.191 9.699 0.523 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.694 9.821 0.270 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.838 9.914 1.996 1.00 0.00 C ATOM 0 H LEU A 20 -2.007 8.830 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.625 8.893 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.346 7.970 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.666 7.650 0.853 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.704 10.493 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.047 10.785 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.890 9.744 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.217 9.021 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.229 10.876 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.278 9.118 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.755 9.902 2.116 1.00 0.00 H new ATOM 324 N CYS A 21 -0.265 6.374 0.334 1.00 0.00 N ATOM 325 CA CYS A 21 0.324 5.046 0.296 1.00 0.00 C ATOM 326 C CYS A 21 -0.723 4.042 0.781 1.00 0.00 C ATOM 327 O CYS A 21 -1.535 4.357 1.648 1.00 0.00 O ATOM 328 CB CYS A 21 1.610 4.975 1.122 1.00 0.00 C ATOM 329 SG CYS A 21 3.123 5.496 0.235 1.00 0.00 S ATOM 0 H CYS A 21 -0.351 6.776 1.268 1.00 0.00 H new ATOM 0 HA CYS A 21 0.613 4.802 -0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.491 5.600 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.745 3.951 1.471 1.00 0.00 H new ATOM 334 N TYR A 22 -0.668 2.852 0.199 1.00 0.00 N ATOM 335 CA TYR A 22 -1.602 1.800 0.561 1.00 0.00 C ATOM 336 C TYR A 22 -0.870 0.476 0.799 1.00 0.00 C ATOM 337 O TYR A 22 0.036 0.120 0.048 1.00 0.00 O ATOM 338 CB TYR A 22 -2.542 1.641 -0.634 1.00 0.00 C ATOM 339 CG TYR A 22 -1.982 0.763 -1.755 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.185 1.320 -2.734 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.274 -0.585 -1.787 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.657 0.493 -3.789 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.747 -1.412 -2.842 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.964 -0.831 -3.791 1.00 0.00 C ATOM 345 OH TYR A 22 -0.465 -1.611 -4.787 1.00 0.00 O ATOM 0 H TYR A 22 0.008 2.594 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.132 2.056 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.483 1.214 -0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.769 2.628 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.957 2.375 -2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.898 -1.020 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.031 0.916 -4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.968 -2.468 -2.879 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.765 -2.535 -4.660 1.00 0.00 H new ATOM 355 N LYS A 23 -1.292 -0.216 1.847 1.00 0.00 N ATOM 356 CA LYS A 23 -0.689 -1.493 2.193 1.00 0.00 C ATOM 357 C LYS A 23 -1.792 -2.523 2.440 1.00 0.00 C ATOM 358 O LYS A 23 -2.511 -2.443 3.435 1.00 0.00 O ATOM 359 CB LYS A 23 0.274 -1.328 3.371 1.00 0.00 C ATOM 360 CG LYS A 23 -0.358 -0.484 4.481 1.00 0.00 C ATOM 361 CD LYS A 23 0.714 0.090 5.410 1.00 0.00 C ATOM 362 CE LYS A 23 1.090 -0.914 6.501 1.00 0.00 C ATOM 363 NZ LYS A 23 1.531 -0.210 7.725 1.00 0.00 N ATOM 0 H LYS A 23 -2.044 0.083 2.468 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.085 -1.866 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.545 -2.308 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.195 -0.855 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.936 0.329 4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.054 -1.095 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.600 0.352 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.349 1.010 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.234 -1.550 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.886 -1.567 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.685 -0.901 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.418 0.297 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.800 0.470 8.017 1.00 0.00 H new ATOM 377 N MET A 24 -1.892 -3.468 1.516 1.00 0.00 N ATOM 378 CA MET A 24 -2.896 -4.514 1.621 1.00 0.00 C ATOM 379 C MET A 24 -2.306 -5.780 2.245 1.00 0.00 C ATOM 380 O MET A 24 -1.103 -6.019 2.151 1.00 0.00 O ATOM 381 CB MET A 24 -3.443 -4.837 0.229 1.00 0.00 C ATOM 382 CG MET A 24 -3.688 -3.558 -0.574 1.00 0.00 C ATOM 383 SD MET A 24 -4.518 -3.949 -2.106 1.00 0.00 S ATOM 384 CE MET A 24 -5.279 -2.374 -2.457 1.00 0.00 C ATOM 0 H MET A 24 -1.295 -3.531 0.692 1.00 0.00 H new ATOM 0 HA MET A 24 -3.701 -4.157 2.264 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.738 -5.476 -0.303 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.374 -5.397 0.321 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.292 -2.863 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.740 -3.061 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.357 -2.505 -2.556 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.071 -1.680 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.875 -1.974 -3.387 1.00 0.00 H new ATOM 394 N PHE A 25 -3.180 -6.556 2.868 1.00 0.00 N ATOM 395 CA PHE A 25 -2.761 -7.792 3.506 1.00 0.00 C ATOM 396 C PHE A 25 -3.845 -8.864 3.391 1.00 0.00 C ATOM 397 O PHE A 25 -5.027 -8.580 3.577 1.00 0.00 O ATOM 398 CB PHE A 25 -2.529 -7.475 4.985 1.00 0.00 C ATOM 399 CG PHE A 25 -1.472 -6.397 5.233 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.721 -5.106 4.884 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.282 -6.729 5.801 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.741 -4.105 5.113 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.700 -5.729 6.030 1.00 0.00 C ATOM 404 CZ PHE A 25 0.449 -4.438 5.681 1.00 0.00 C ATOM 0 H PHE A 25 -4.177 -6.353 2.945 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.860 -8.172 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.471 -7.154 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.229 -8.388 5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.666 -4.842 4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.084 -7.754 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.940 -3.080 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.645 -5.993 6.481 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.195 -3.677 5.855 1.00 0.00 H new ATOM 414 N MET A 26 -3.404 -10.076 3.086 1.00 0.00 N ATOM 415 CA MET A 26 -4.322 -11.193 2.943 1.00 0.00 C ATOM 416 C MET A 26 -4.823 -11.669 4.308 1.00 0.00 C ATOM 417 O MET A 26 -4.160 -11.460 5.323 1.00 0.00 O ATOM 418 CB MET A 26 -3.618 -12.346 2.226 1.00 0.00 C ATOM 419 CG MET A 26 -3.241 -11.954 0.796 1.00 0.00 C ATOM 420 SD MET A 26 -1.866 -12.944 0.234 1.00 0.00 S ATOM 421 CE MET A 26 -2.663 -13.872 -1.065 1.00 0.00 C ATOM 0 H MET A 26 -2.423 -10.309 2.934 1.00 0.00 H new ATOM 0 HA MET A 26 -5.180 -10.861 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.721 -12.629 2.778 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.270 -13.220 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.096 -12.095 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.979 -10.897 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.941 -14.546 -1.527 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.485 -14.453 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.051 -13.185 -1.817 1.00 0.00 H new ATOM 431 N MET A 27 -5.986 -12.303 4.289 1.00 0.00 N ATOM 432 CA MET A 27 -6.583 -12.811 5.513 1.00 0.00 C ATOM 433 C MET A 27 -5.713 -13.906 6.133 1.00 0.00 C ATOM 434 O MET A 27 -5.629 -14.020 7.355 1.00 0.00 O ATOM 435 CB MET A 27 -7.973 -13.373 5.209 1.00 0.00 C ATOM 436 CG MET A 27 -9.033 -12.272 5.261 1.00 0.00 C ATOM 437 SD MET A 27 -9.665 -12.110 6.923 1.00 0.00 S ATOM 438 CE MET A 27 -10.368 -13.736 7.146 1.00 0.00 C ATOM 0 H MET A 27 -6.531 -12.477 3.445 1.00 0.00 H new ATOM 0 HA MET A 27 -6.662 -11.989 6.225 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.974 -13.837 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.219 -14.154 5.929 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.603 -11.326 4.933 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.847 -12.507 4.575 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.298 -13.656 7.709 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.570 -14.182 6.172 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.665 -14.364 7.693 1.00 0.00 H new ATOM 448 N SER A 28 -5.086 -14.683 5.261 1.00 0.00 N ATOM 449 CA SER A 28 -4.225 -15.766 5.708 1.00 0.00 C ATOM 450 C SER A 28 -3.022 -15.199 6.463 1.00 0.00 C ATOM 451 O SER A 28 -3.068 -15.039 7.682 1.00 0.00 O ATOM 452 CB SER A 28 -3.759 -16.620 4.528 1.00 0.00 C ATOM 453 OG SER A 28 -2.639 -17.433 4.868 1.00 0.00 O ATOM 0 H SER A 28 -5.157 -14.584 4.248 1.00 0.00 H new ATOM 0 HA SER A 28 -4.798 -16.405 6.380 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.580 -17.255 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.496 -15.971 3.692 1.00 0.00 H new ATOM 0 HG SER A 28 -2.372 -17.965 4.089 1.00 0.00 H new ATOM 459 N ASP A 29 -1.972 -14.911 5.708 1.00 0.00 N ATOM 460 CA ASP A 29 -0.758 -14.366 6.291 1.00 0.00 C ATOM 461 C ASP A 29 -0.982 -12.894 6.641 1.00 0.00 C ATOM 462 O ASP A 29 -0.427 -12.007 5.993 1.00 0.00 O ATOM 463 CB ASP A 29 0.410 -14.445 5.306 1.00 0.00 C ATOM 464 CG ASP A 29 1.798 -14.472 5.949 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.859 -14.793 7.155 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.767 -14.170 5.219 1.00 0.00 O ATOM 0 H ASP A 29 -1.937 -15.045 4.697 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.520 -14.950 7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.291 -15.341 4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.355 -13.590 4.632 1.00 0.00 H new ATOM 471 N LEU A 30 -1.796 -12.678 7.664 1.00 0.00 N ATOM 472 CA LEU A 30 -2.100 -11.329 8.108 1.00 0.00 C ATOM 473 C LEU A 30 -0.885 -10.751 8.836 1.00 0.00 C ATOM 474 O LEU A 30 -0.872 -9.572 9.190 1.00 0.00 O ATOM 475 CB LEU A 30 -3.381 -11.316 8.943 1.00 0.00 C ATOM 476 CG LEU A 30 -4.692 -11.452 8.164 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.794 -12.043 9.044 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.105 -10.114 7.548 1.00 0.00 C ATOM 0 H LEU A 30 -2.255 -13.416 8.198 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.298 -10.682 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.327 -12.128 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.413 -10.385 9.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.530 -12.148 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.714 -12.129 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.491 -13.030 9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.963 -11.392 9.901 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.039 -10.238 7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.243 -9.377 8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.327 -9.772 6.865 1.00 0.00 H new ATOM 490 N THR A 31 0.106 -11.606 9.038 1.00 0.00 N ATOM 491 CA THR A 31 1.323 -11.194 9.718 1.00 0.00 C ATOM 492 C THR A 31 2.306 -10.573 8.723 1.00 0.00 C ATOM 493 O THR A 31 3.194 -9.816 9.113 1.00 0.00 O ATOM 494 CB THR A 31 1.889 -12.412 10.451 1.00 0.00 C ATOM 495 OG1 THR A 31 1.766 -12.073 11.831 1.00 0.00 O ATOM 496 CG2 THR A 31 3.396 -12.574 10.240 1.00 0.00 C ATOM 0 H THR A 31 0.092 -12.582 8.743 1.00 0.00 H new ATOM 0 HA THR A 31 1.121 -10.417 10.455 1.00 0.00 H new ATOM 0 HB THR A 31 1.376 -13.312 10.111 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.108 -12.809 12.380 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.747 -13.453 10.781 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.604 -12.696 9.177 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.913 -11.689 10.611 1.00 0.00 H new ATOM 504 N ILE A 32 2.114 -10.916 7.458 1.00 0.00 N ATOM 505 CA ILE A 32 2.972 -10.402 6.404 1.00 0.00 C ATOM 506 C ILE A 32 2.107 -9.906 5.244 1.00 0.00 C ATOM 507 O ILE A 32 1.185 -10.598 4.812 1.00 0.00 O ATOM 508 CB ILE A 32 4.006 -11.452 5.995 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.241 -12.460 7.122 1.00 0.00 C ATOM 510 CG2 ILE A 32 5.308 -10.791 5.539 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.311 -13.480 6.733 1.00 0.00 C ATOM 0 H ILE A 32 1.376 -11.544 7.139 1.00 0.00 H new ATOM 0 HA ILE A 32 3.545 -9.547 6.763 1.00 0.00 H new ATOM 0 HB ILE A 32 3.610 -12.006 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.547 -11.934 8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.309 -12.976 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.026 -11.560 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.108 -10.146 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.719 -10.196 6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.458 -14.184 7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.991 -14.021 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.248 -12.963 6.527 1.00 0.00 H new ATOM 523 N PRO A 33 2.434 -8.712 4.772 1.00 0.00 N ATOM 524 CA PRO A 33 1.676 -8.098 3.636 1.00 0.00 C ATOM 525 C PRO A 33 1.522 -8.873 2.281 1.00 0.00 C ATOM 526 O PRO A 33 2.189 -9.882 2.061 1.00 0.00 O ATOM 527 CB PRO A 33 2.385 -6.736 3.463 1.00 0.00 C ATOM 528 CG PRO A 33 3.757 -6.893 4.121 1.00 0.00 C ATOM 529 CD PRO A 33 3.513 -7.862 5.276 1.00 0.00 C ATOM 0 HA PRO A 33 0.619 -8.070 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.484 -6.478 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.815 -5.936 3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.492 -7.288 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.139 -5.937 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.406 -8.441 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.222 -7.339 6.187 1.00 0.00 H new ATOM 537 N VAL A 34 0.643 -8.354 1.436 1.00 0.00 N ATOM 538 CA VAL A 34 0.398 -8.967 0.143 1.00 0.00 C ATOM 539 C VAL A 34 0.638 -7.935 -0.961 1.00 0.00 C ATOM 540 O VAL A 34 1.126 -8.273 -2.038 1.00 0.00 O ATOM 541 CB VAL A 34 -1.009 -9.566 0.105 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.063 -8.508 0.440 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.295 -10.213 -1.252 1.00 0.00 C ATOM 0 H VAL A 34 0.092 -7.516 1.622 1.00 0.00 H new ATOM 0 HA VAL A 34 1.092 -9.790 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.061 -10.346 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.055 -8.959 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.878 -8.113 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.008 -7.697 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.302 -10.631 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.215 -9.462 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.572 -11.008 -1.435 1.00 0.00 H new ATOM 553 N LYS A 35 0.285 -6.695 -0.654 1.00 0.00 N ATOM 554 CA LYS A 35 0.456 -5.611 -1.605 1.00 0.00 C ATOM 555 C LYS A 35 1.009 -4.383 -0.880 1.00 0.00 C ATOM 556 O LYS A 35 0.586 -4.072 0.232 1.00 0.00 O ATOM 557 CB LYS A 35 -0.851 -5.344 -2.355 1.00 0.00 C ATOM 558 CG LYS A 35 -1.512 -6.654 -2.789 1.00 0.00 C ATOM 559 CD LYS A 35 -2.169 -6.508 -4.163 1.00 0.00 C ATOM 560 CE LYS A 35 -2.353 -7.872 -4.831 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.651 -7.912 -6.133 1.00 0.00 N ATOM 0 H LYS A 35 -0.119 -6.418 0.241 1.00 0.00 H new ATOM 0 HA LYS A 35 1.184 -5.887 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.533 -4.783 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.652 -4.725 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.766 -7.448 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.261 -6.949 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.137 -6.018 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.555 -5.868 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.968 -8.657 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.415 -8.071 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.787 -8.845 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.037 -7.176 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.635 -7.743 -5.985 1.00 0.00 H new ATOM 575 N ARG A 36 1.949 -3.721 -1.538 1.00 0.00 N ATOM 576 CA ARG A 36 2.566 -2.534 -0.969 1.00 0.00 C ATOM 577 C ARG A 36 2.972 -1.562 -2.080 1.00 0.00 C ATOM 578 O ARG A 36 3.791 -1.898 -2.934 1.00 0.00 O ATOM 579 CB ARG A 36 3.801 -2.898 -0.142 1.00 0.00 C ATOM 580 CG ARG A 36 3.401 -3.416 1.240 1.00 0.00 C ATOM 581 CD ARG A 36 4.604 -3.435 2.187 1.00 0.00 C ATOM 582 NE ARG A 36 4.142 -3.433 3.593 1.00 0.00 N ATOM 583 CZ ARG A 36 4.958 -3.362 4.652 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.285 -3.287 4.472 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.451 -3.366 5.892 1.00 0.00 N ATOM 0 H ARG A 36 2.299 -3.984 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 36 1.833 -2.059 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.382 -3.657 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.442 -2.023 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.616 -2.785 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.988 -4.421 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.213 -4.319 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.236 -2.567 2.002 1.00 0.00 H new ATOM 0 HE ARG A 36 3.138 -3.489 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.672 -3.284 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.907 -3.233 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.442 -3.423 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.074 -3.312 6.698 1.00 0.00 H new ATOM 599 N GLY A 37 2.381 -0.379 -2.032 1.00 0.00 N ATOM 600 CA GLY A 37 2.670 0.644 -3.022 1.00 0.00 C ATOM 601 C GLY A 37 1.936 1.947 -2.697 1.00 0.00 C ATOM 602 O GLY A 37 1.536 2.170 -1.556 1.00 0.00 O ATOM 0 H GLY A 37 1.702 -0.105 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.744 0.827 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.373 0.292 -4.010 1.00 0.00 H new ATOM 606 N CYS A 38 1.780 2.772 -3.722 1.00 0.00 N ATOM 607 CA CYS A 38 1.101 4.046 -3.560 1.00 0.00 C ATOM 608 C CYS A 38 -0.129 4.054 -4.470 1.00 0.00 C ATOM 609 O CYS A 38 -0.186 3.313 -5.450 1.00 0.00 O ATOM 610 CB CYS A 38 2.032 5.225 -3.850 1.00 0.00 C ATOM 611 SG CYS A 38 3.658 5.142 -3.013 1.00 0.00 S ATOM 0 H CYS A 38 2.112 2.583 -4.668 1.00 0.00 H new ATOM 0 HA CYS A 38 0.786 4.163 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.195 5.285 -4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.532 6.147 -3.552 1.00 0.00 H new ATOM 616 N ILE A 39 -1.085 4.900 -4.112 1.00 0.00 N ATOM 617 CA ILE A 39 -2.311 5.013 -4.884 1.00 0.00 C ATOM 618 C ILE A 39 -2.929 6.393 -4.651 1.00 0.00 C ATOM 619 O ILE A 39 -2.546 7.099 -3.719 1.00 0.00 O ATOM 620 CB ILE A 39 -3.256 3.854 -4.563 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.226 3.600 -5.718 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.989 4.094 -3.242 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.303 2.109 -6.053 1.00 0.00 C ATOM 0 H ILE A 39 -1.035 5.513 -3.298 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.098 4.934 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.658 2.951 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.217 3.968 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.904 4.158 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.654 3.255 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.263 4.186 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.573 5.012 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.000 1.957 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.315 1.749 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.649 1.557 -5.179 1.00 0.00 H new ATOM 635 N ASP A 40 -3.875 6.736 -5.512 1.00 0.00 N ATOM 636 CA ASP A 40 -4.550 8.018 -5.412 1.00 0.00 C ATOM 637 C ASP A 40 -5.669 7.921 -4.373 1.00 0.00 C ATOM 638 O ASP A 40 -5.806 8.796 -3.520 1.00 0.00 O ATOM 639 CB ASP A 40 -5.179 8.417 -6.748 1.00 0.00 C ATOM 640 CG ASP A 40 -6.099 9.638 -6.692 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.936 10.427 -5.737 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.944 9.754 -7.606 1.00 0.00 O ATOM 0 H ASP A 40 -4.190 6.147 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.811 8.766 -5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.381 8.615 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.748 7.570 -7.132 1.00 0.00 H new ATOM 647 N VAL A 41 -6.440 6.849 -4.480 1.00 0.00 N ATOM 648 CA VAL A 41 -7.544 6.625 -3.561 1.00 0.00 C ATOM 649 C VAL A 41 -7.397 5.243 -2.923 1.00 0.00 C ATOM 650 O VAL A 41 -7.199 4.251 -3.622 1.00 0.00 O ATOM 651 CB VAL A 41 -8.876 6.810 -4.289 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.929 7.417 -3.359 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.700 7.662 -5.548 1.00 0.00 C ATOM 0 H VAL A 41 -6.322 6.125 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.526 7.358 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.228 5.826 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.867 7.538 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.086 6.756 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.586 8.389 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.662 7.778 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.314 8.643 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.998 7.173 -6.223 1.00 0.00 H new ATOM 663 N CYS A 42 -7.500 5.222 -1.602 1.00 0.00 N ATOM 664 CA CYS A 42 -7.383 3.977 -0.861 1.00 0.00 C ATOM 665 C CYS A 42 -8.642 3.146 -1.117 1.00 0.00 C ATOM 666 O CYS A 42 -9.757 3.653 -1.013 1.00 0.00 O ATOM 667 CB CYS A 42 -7.156 4.227 0.631 1.00 0.00 C ATOM 668 SG CYS A 42 -6.144 2.957 1.475 1.00 0.00 S ATOM 0 H CYS A 42 -7.663 6.047 -1.025 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.509 3.425 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.674 5.197 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.125 4.288 1.127 1.00 0.00 H new ATOM 673 N PRO A 43 -8.420 1.881 -1.446 1.00 0.00 N ATOM 674 CA PRO A 43 -9.556 0.946 -1.725 1.00 0.00 C ATOM 675 C PRO A 43 -10.401 0.359 -0.542 1.00 0.00 C ATOM 676 O PRO A 43 -9.982 0.417 0.613 1.00 0.00 O ATOM 677 CB PRO A 43 -8.878 -0.155 -2.571 1.00 0.00 C ATOM 678 CG PRO A 43 -7.441 0.318 -2.798 1.00 0.00 C ATOM 679 CD PRO A 43 -7.136 1.195 -1.585 1.00 0.00 C ATOM 0 HA PRO A 43 -10.357 1.509 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.897 -1.114 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.398 -0.295 -3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.751 -0.523 -2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.349 0.879 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.877 0.611 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.311 1.885 -1.765 1.00 0.00 H new ATOM 687 N LYS A 44 -11.559 -0.179 -0.894 1.00 0.00 N ATOM 688 CA LYS A 44 -12.447 -0.762 0.099 1.00 0.00 C ATOM 689 C LYS A 44 -11.890 -2.116 0.540 1.00 0.00 C ATOM 690 O LYS A 44 -11.300 -2.840 -0.260 1.00 0.00 O ATOM 691 CB LYS A 44 -13.878 -0.828 -0.436 1.00 0.00 C ATOM 692 CG LYS A 44 -14.454 0.575 -0.639 1.00 0.00 C ATOM 693 CD LYS A 44 -15.401 0.610 -1.841 1.00 0.00 C ATOM 694 CE LYS A 44 -16.452 1.711 -1.678 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.626 2.452 -2.947 1.00 0.00 N ATOM 0 H LYS A 44 -11.904 -0.224 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.494 -0.132 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.892 -1.371 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.505 -1.385 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.988 0.886 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.643 1.287 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.830 0.779 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.894 -0.356 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.402 1.273 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.149 2.398 -0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.342 3.195 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.722 2.886 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.936 1.796 -3.692 1.00 0.00 H new ATOM 709 N ASN A 45 -12.100 -2.420 1.813 1.00 0.00 N ATOM 710 CA ASN A 45 -11.627 -3.675 2.371 1.00 0.00 C ATOM 711 C ASN A 45 -12.653 -4.774 2.085 1.00 0.00 C ATOM 712 O ASN A 45 -13.850 -4.503 2.001 1.00 0.00 O ATOM 713 CB ASN A 45 -11.452 -3.573 3.888 1.00 0.00 C ATOM 714 CG ASN A 45 -10.751 -2.270 4.272 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.644 -1.981 3.847 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.453 -1.500 5.099 1.00 0.00 N ATOM 0 H ASN A 45 -12.592 -1.818 2.474 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.666 -3.907 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.426 -3.623 4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.872 -4.422 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.070 -0.609 5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.374 -1.801 5.417 1.00 0.00 H new ATOM 723 N SER A 46 -12.147 -5.990 1.945 1.00 0.00 N ATOM 724 CA SER A 46 -13.005 -7.130 1.671 1.00 0.00 C ATOM 725 C SER A 46 -12.856 -8.175 2.778 1.00 0.00 C ATOM 726 O SER A 46 -12.020 -8.026 3.669 1.00 0.00 O ATOM 727 CB SER A 46 -12.680 -7.750 0.310 1.00 0.00 C ATOM 728 OG SER A 46 -11.329 -8.196 0.236 1.00 0.00 O ATOM 0 H SER A 46 -11.154 -6.211 2.016 1.00 0.00 H new ATOM 0 HA SER A 46 -14.038 -6.782 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.350 -8.590 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.863 -7.017 -0.476 1.00 0.00 H new ATOM 0 HG SER A 46 -11.161 -8.587 -0.647 1.00 0.00 H new ATOM 734 N LEU A 47 -13.680 -9.209 2.687 1.00 0.00 N ATOM 735 CA LEU A 47 -13.650 -10.278 3.671 1.00 0.00 C ATOM 736 C LEU A 47 -12.563 -11.284 3.292 1.00 0.00 C ATOM 737 O LEU A 47 -12.458 -12.348 3.899 1.00 0.00 O ATOM 738 CB LEU A 47 -15.039 -10.902 3.824 1.00 0.00 C ATOM 739 CG LEU A 47 -16.126 -9.990 4.395 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.521 -10.521 4.059 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.938 -9.787 5.900 1.00 0.00 C ATOM 0 H LEU A 47 -14.372 -9.329 1.947 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.391 -9.885 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.366 -11.255 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.953 -11.778 4.467 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.032 -9.012 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.275 -9.854 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.640 -10.571 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.643 -11.517 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.724 -9.135 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.990 -10.751 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.966 -9.331 6.087 1.00 0.00 H new ATOM 753 N LEU A 48 -11.779 -10.911 2.290 1.00 0.00 N ATOM 754 CA LEU A 48 -10.702 -11.767 1.824 1.00 0.00 C ATOM 755 C LEU A 48 -9.358 -11.127 2.175 1.00 0.00 C ATOM 756 O LEU A 48 -8.500 -11.768 2.779 1.00 0.00 O ATOM 757 CB LEU A 48 -10.867 -12.072 0.333 1.00 0.00 C ATOM 758 CG LEU A 48 -12.222 -12.645 -0.088 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.745 -11.949 -1.346 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.143 -14.163 -0.264 1.00 0.00 C ATOM 0 H LEU A 48 -11.869 -10.027 1.788 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.737 -12.732 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.694 -11.153 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.089 -12.777 0.038 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.939 -12.449 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.709 -12.375 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.862 -10.883 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.037 -12.092 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.119 -14.546 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.408 -14.402 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.846 -14.624 0.678 1.00 0.00 H new ATOM 772 N VAL A 49 -9.217 -9.869 1.783 1.00 0.00 N ATOM 773 CA VAL A 49 -7.992 -9.135 2.049 1.00 0.00 C ATOM 774 C VAL A 49 -8.337 -7.799 2.711 1.00 0.00 C ATOM 775 O VAL A 49 -9.428 -7.269 2.515 1.00 0.00 O ATOM 776 CB VAL A 49 -7.188 -8.972 0.757 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.117 -10.291 -0.016 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.772 -7.857 -0.114 1.00 0.00 C ATOM 0 H VAL A 49 -9.931 -9.340 1.283 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.358 -9.688 2.742 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.171 -8.689 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.540 -10.147 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.635 -11.049 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.125 -10.618 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.183 -7.761 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.803 -8.099 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.747 -6.916 0.435 1.00 0.00 H new ATOM 788 N LYS A 50 -7.384 -7.294 3.481 1.00 0.00 N ATOM 789 CA LYS A 50 -7.573 -6.031 4.174 1.00 0.00 C ATOM 790 C LYS A 50 -6.628 -4.984 3.581 1.00 0.00 C ATOM 791 O LYS A 50 -5.538 -5.317 3.118 1.00 0.00 O ATOM 792 CB LYS A 50 -7.415 -6.218 5.684 1.00 0.00 C ATOM 793 CG LYS A 50 -7.923 -4.993 6.445 1.00 0.00 C ATOM 794 CD LYS A 50 -7.695 -5.148 7.950 1.00 0.00 C ATOM 795 CE LYS A 50 -9.015 -5.058 8.717 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.428 -3.646 8.875 1.00 0.00 N ATOM 0 H LYS A 50 -6.479 -7.737 3.640 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.589 -5.664 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.965 -7.103 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.366 -6.391 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.411 -4.100 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.986 -4.853 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.218 -6.107 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.014 -4.373 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.789 -5.612 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.905 -5.523 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.326 -3.603 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.696 -3.127 9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.553 -3.214 7.937 1.00 0.00 H new ATOM 810 N TYR A 51 -7.080 -3.738 3.616 1.00 0.00 N ATOM 811 CA TYR A 51 -6.288 -2.640 3.089 1.00 0.00 C ATOM 812 C TYR A 51 -6.046 -1.575 4.160 1.00 0.00 C ATOM 813 O TYR A 51 -6.903 -1.341 5.012 1.00 0.00 O ATOM 814 CB TYR A 51 -7.117 -2.029 1.956 1.00 0.00 C ATOM 815 CG TYR A 51 -7.440 -3.006 0.824 1.00 0.00 C ATOM 816 CD1 TYR A 51 -6.603 -4.076 0.576 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.567 -2.819 0.051 1.00 0.00 C ATOM 818 CE1 TYR A 51 -6.907 -4.996 -0.489 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.871 -3.738 -1.014 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.026 -4.782 -1.232 1.00 0.00 C ATOM 821 OH TYR A 51 -8.314 -5.651 -2.238 1.00 0.00 O ATOM 0 H TYR A 51 -7.984 -3.465 4.001 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.315 -2.996 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.050 -1.646 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.577 -1.177 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.720 -4.223 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.222 -1.982 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.261 -5.837 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.750 -3.602 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.143 -5.374 -2.682 1.00 0.00 H new ATOM 831 N VAL A 52 -4.877 -0.957 4.081 1.00 0.00 N ATOM 832 CA VAL A 52 -4.511 0.077 5.034 1.00 0.00 C ATOM 833 C VAL A 52 -3.914 1.268 4.281 1.00 0.00 C ATOM 834 O VAL A 52 -3.073 1.092 3.401 1.00 0.00 O ATOM 835 CB VAL A 52 -3.568 -0.495 6.093 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.650 0.591 6.655 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.352 -1.182 7.213 1.00 0.00 C ATOM 0 H VAL A 52 -4.171 -1.152 3.372 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.392 0.436 5.566 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.942 -1.247 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.990 0.157 7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.052 1.015 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.252 1.376 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.657 -1.580 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.015 -0.459 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.944 -1.997 6.796 1.00 0.00 H new ATOM 847 N CYS A 53 -4.371 2.454 4.657 1.00 0.00 N ATOM 848 CA CYS A 53 -3.891 3.673 4.029 1.00 0.00 C ATOM 849 C CYS A 53 -2.776 4.256 4.900 1.00 0.00 C ATOM 850 O CYS A 53 -2.683 3.945 6.087 1.00 0.00 O ATOM 851 CB CYS A 53 -5.023 4.677 3.804 1.00 0.00 C ATOM 852 SG CYS A 53 -6.572 3.954 3.151 1.00 0.00 S ATOM 0 H CYS A 53 -5.068 2.596 5.388 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.495 3.443 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.241 5.175 4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.677 5.444 3.112 1.00 0.00 H new ATOM 857 N CYS A 54 -1.958 5.091 4.277 1.00 0.00 N ATOM 858 CA CYS A 54 -0.853 5.721 4.981 1.00 0.00 C ATOM 859 C CYS A 54 -0.337 6.879 4.126 1.00 0.00 C ATOM 860 O CYS A 54 -0.130 6.723 2.923 1.00 0.00 O ATOM 861 CB CYS A 54 0.253 4.717 5.310 1.00 0.00 C ATOM 862 SG CYS A 54 0.830 3.717 3.889 1.00 0.00 S ATOM 0 H CYS A 54 -2.038 5.346 3.293 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.201 6.106 5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.104 5.258 5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.107 4.044 6.088 1.00 0.00 H new ATOM 867 N ASN A 55 -0.142 8.015 4.780 1.00 0.00 N ATOM 868 CA ASN A 55 0.347 9.199 4.094 1.00 0.00 C ATOM 869 C ASN A 55 1.796 9.462 4.510 1.00 0.00 C ATOM 870 O ASN A 55 2.393 10.454 4.096 1.00 0.00 O ATOM 871 CB ASN A 55 -0.482 10.432 4.464 1.00 0.00 C ATOM 872 CG ASN A 55 -0.846 10.421 5.951 1.00 0.00 C ATOM 873 OD1 ASN A 55 -1.994 10.266 6.334 1.00 0.00 O ATOM 874 ND2 ASN A 55 0.192 10.595 6.763 1.00 0.00 N ATOM 0 H ASN A 55 -0.314 8.140 5.778 1.00 0.00 H new ATOM 0 HA ASN A 55 0.272 9.022 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.080 11.336 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.391 10.457 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.053 10.604 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.127 10.719 6.376 1.00 0.00 H new ATOM 881 N THR A 56 2.319 8.556 5.322 1.00 0.00 N ATOM 882 CA THR A 56 3.686 8.677 5.799 1.00 0.00 C ATOM 883 C THR A 56 4.636 7.882 4.901 1.00 0.00 C ATOM 884 O THR A 56 4.195 7.054 4.104 1.00 0.00 O ATOM 885 CB THR A 56 3.718 8.233 7.262 1.00 0.00 C ATOM 886 OG1 THR A 56 3.453 6.835 7.206 1.00 0.00 O ATOM 887 CG2 THR A 56 2.552 8.802 8.073 1.00 0.00 C ATOM 0 H THR A 56 1.820 7.734 5.662 1.00 0.00 H new ATOM 0 HA THR A 56 4.032 9.710 5.751 1.00 0.00 H new ATOM 0 HB THR A 56 4.660 8.543 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.457 6.465 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.623 8.456 9.104 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.592 9.891 8.052 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.610 8.465 7.641 1.00 0.00 H new ATOM 895 N ASP A 57 5.921 8.160 5.060 1.00 0.00 N ATOM 896 CA ASP A 57 6.937 7.480 4.273 1.00 0.00 C ATOM 897 C ASP A 57 7.200 6.099 4.873 1.00 0.00 C ATOM 898 O ASP A 57 6.855 5.842 6.027 1.00 0.00 O ATOM 899 CB ASP A 57 8.253 8.260 4.283 1.00 0.00 C ATOM 900 CG ASP A 57 8.269 9.516 3.409 1.00 0.00 C ATOM 901 OD1 ASP A 57 8.022 9.364 2.195 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.528 10.598 3.977 1.00 0.00 O ATOM 0 H ASP A 57 6.283 8.847 5.722 1.00 0.00 H new ATOM 0 HA ASP A 57 6.574 7.399 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.479 8.548 5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.053 7.597 3.954 1.00 0.00 H new ATOM 907 N ARG A 58 7.808 5.244 4.065 1.00 0.00 N ATOM 908 CA ARG A 58 8.122 3.894 4.502 1.00 0.00 C ATOM 909 C ARG A 58 6.993 3.342 5.375 1.00 0.00 C ATOM 910 O ARG A 58 7.247 2.668 6.372 1.00 0.00 O ATOM 911 CB ARG A 58 9.431 3.861 5.293 1.00 0.00 C ATOM 912 CG ARG A 58 10.626 4.166 4.388 1.00 0.00 C ATOM 913 CD ARG A 58 11.924 3.624 4.990 1.00 0.00 C ATOM 914 NE ARG A 58 12.701 4.727 5.599 1.00 0.00 N ATOM 915 CZ ARG A 58 13.809 4.552 6.330 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.277 3.315 6.550 1.00 0.00 N ATOM 917 NH2 ARG A 58 14.448 5.612 6.843 1.00 0.00 N ATOM 0 H ARG A 58 8.092 5.460 3.109 1.00 0.00 H new ATOM 0 HA ARG A 58 8.233 3.275 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.389 4.589 6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.558 2.880 5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.464 3.723 3.405 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.711 5.243 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.697 2.869 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.516 3.135 4.217 1.00 0.00 H new ATOM 0 HE ARG A 58 12.371 5.681 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.789 2.508 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.121 3.181 7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.090 6.553 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.292 5.478 7.400 1.00 0.00 H new ATOM 931 N CYS A 59 5.770 3.650 4.969 1.00 0.00 N ATOM 932 CA CYS A 59 4.601 3.195 5.702 1.00 0.00 C ATOM 933 C CYS A 59 4.257 1.782 5.226 1.00 0.00 C ATOM 934 O CYS A 59 4.063 0.879 6.039 1.00 0.00 O ATOM 935 CB CYS A 59 3.421 4.155 5.540 1.00 0.00 C ATOM 936 SG CYS A 59 2.750 4.265 3.841 1.00 0.00 S ATOM 0 H CYS A 59 5.563 4.209 4.141 1.00 0.00 H new ATOM 0 HA CYS A 59 4.823 3.175 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.622 3.843 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.734 5.150 5.857 1.00 0.00 H new ATOM 941 N ASN A 60 4.191 1.634 3.911 1.00 0.00 N ATOM 942 CA ASN A 60 3.873 0.346 3.318 1.00 0.00 C ATOM 943 C ASN A 60 5.163 -0.319 2.833 1.00 0.00 C ATOM 944 O ASN A 60 6.031 0.342 2.264 1.00 0.00 O ATOM 945 CB ASN A 60 2.944 0.509 2.113 1.00 0.00 C ATOM 946 CG ASN A 60 3.592 1.382 1.035 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.268 2.545 0.864 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.523 0.756 0.321 1.00 0.00 N ATOM 0 H ASN A 60 4.352 2.385 3.239 1.00 0.00 H new ATOM 0 HA ASN A 60 3.378 -0.261 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.705 -0.470 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.003 0.958 2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.015 1.252 -0.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.746 -0.220 0.517 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.728 -11.505 3.090 1.00 0.00 O