USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -141:sc= -0.719 (180deg=-3.07!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 LEU N :NH3+ -107:sc= 0.758 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.312 K(o=0.45,f=-5.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.23 K(o=-3.2,f=-9.9!) USER MOD Single : A 5 LYS NZ :NH3+ -115:sc= -0.748 (180deg=-4.34!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0247) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 9:sc= 0.256 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00514 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= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 46 SER OG : rot -38:sc= 0.776 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.223 K(o=-0.22,f=-3.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 60 ASN : amide:sc= -2.51! C(o=-2.5!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.619 12.124 -2.192 1.00 0.00 N ATOM 2 CA LEU A 1 5.663 11.180 -1.089 1.00 0.00 C ATOM 3 C LEU A 1 6.564 10.002 -1.468 1.00 0.00 C ATOM 4 O LEU A 1 6.786 9.741 -2.648 1.00 0.00 O ATOM 5 CB LEU A 1 4.248 10.765 -0.682 1.00 0.00 C ATOM 6 CG LEU A 1 3.814 11.158 0.732 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.626 12.122 0.693 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.518 9.919 1.579 1.00 0.00 C ATOM 0 H1 LEU A 1 6.173 12.970 -1.948 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.020 11.682 -3.044 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.633 12.398 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 1 6.100 11.646 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.545 11.202 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.167 9.682 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 1 4.641 11.684 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.338 12.385 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.907 13.025 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.786 11.644 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.212 10.226 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.717 9.344 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.414 9.302 1.648 1.00 0.00 H new ATOM 20 N LYS A 2 7.058 9.324 -0.442 1.00 0.00 N ATOM 21 CA LYS A 2 7.930 8.181 -0.652 1.00 0.00 C ATOM 22 C LYS A 2 7.196 6.902 -0.242 1.00 0.00 C ATOM 23 O LYS A 2 6.888 6.710 0.933 1.00 0.00 O ATOM 24 CB LYS A 2 9.264 8.384 0.071 1.00 0.00 C ATOM 25 CG LYS A 2 9.966 9.651 -0.420 1.00 0.00 C ATOM 26 CD LYS A 2 11.404 9.717 0.101 1.00 0.00 C ATOM 27 CE LYS A 2 11.533 10.745 1.226 1.00 0.00 C ATOM 28 NZ LYS A 2 12.957 10.990 1.544 1.00 0.00 N ATOM 0 H LYS A 2 6.871 9.544 0.536 1.00 0.00 H new ATOM 0 HA LYS A 2 8.179 8.081 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.093 8.452 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.907 7.520 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.969 9.671 -1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.414 10.530 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.708 8.735 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.078 9.979 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.055 11.679 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.012 10.388 2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.026 11.690 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.403 10.101 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.444 11.351 0.699 1.00 0.00 H new ATOM 42 N CYS A 3 6.938 6.062 -1.233 1.00 0.00 N ATOM 43 CA CYS A 3 6.246 4.808 -0.990 1.00 0.00 C ATOM 44 C CYS A 3 7.247 3.664 -1.170 1.00 0.00 C ATOM 45 O CYS A 3 8.155 3.754 -1.995 1.00 0.00 O ATOM 46 CB CYS A 3 5.028 4.649 -1.902 1.00 0.00 C ATOM 47 SG CYS A 3 4.018 6.161 -2.106 1.00 0.00 S ATOM 0 H CYS A 3 7.196 6.225 -2.206 1.00 0.00 H new ATOM 0 HA CYS A 3 5.859 4.794 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.368 4.321 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.394 3.857 -1.503 1.00 0.00 H new ATOM 52 N ASN A 4 7.047 2.616 -0.385 1.00 0.00 N ATOM 53 CA ASN A 4 7.920 1.457 -0.447 1.00 0.00 C ATOM 54 C ASN A 4 7.185 0.308 -1.140 1.00 0.00 C ATOM 55 O ASN A 4 5.964 0.339 -1.278 1.00 0.00 O ATOM 56 CB ASN A 4 8.314 0.988 0.955 1.00 0.00 C ATOM 57 CG ASN A 4 8.756 2.168 1.823 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.811 3.306 1.388 1.00 0.00 O ATOM 59 ND2 ASN A 4 9.068 1.834 3.072 1.00 0.00 N ATOM 0 H ASN A 4 6.293 2.545 0.298 1.00 0.00 H new ATOM 0 HA ASN A 4 8.817 1.740 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.470 0.483 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.122 0.260 0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.375 2.550 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.000 0.861 3.372 1.00 0.00 H new ATOM 66 N LYS A 5 7.962 -0.681 -1.559 1.00 0.00 N ATOM 67 CA LYS A 5 7.401 -1.839 -2.234 1.00 0.00 C ATOM 68 C LYS A 5 6.987 -2.882 -1.193 1.00 0.00 C ATOM 69 O LYS A 5 6.788 -2.552 -0.025 1.00 0.00 O ATOM 70 CB LYS A 5 8.377 -2.372 -3.284 1.00 0.00 C ATOM 71 CG LYS A 5 8.977 -1.229 -4.105 1.00 0.00 C ATOM 72 CD LYS A 5 10.456 -1.029 -3.769 1.00 0.00 C ATOM 73 CE LYS A 5 11.352 -1.625 -4.857 1.00 0.00 C ATOM 74 NZ LYS A 5 12.395 -0.655 -5.258 1.00 0.00 N ATOM 0 H LYS A 5 8.975 -0.704 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 5 6.500 -1.561 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.175 -2.930 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.861 -3.068 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.868 -1.444 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.428 -0.308 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.667 0.035 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.681 -1.497 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.819 -2.540 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.749 -1.899 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.247 -0.376 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.339 0.187 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.333 -1.093 -5.158 1.00 0.00 H new ATOM 88 N LEU A 6 6.871 -4.118 -1.654 1.00 0.00 N ATOM 89 CA LEU A 6 6.485 -5.211 -0.778 1.00 0.00 C ATOM 90 C LEU A 6 7.362 -5.187 0.475 1.00 0.00 C ATOM 91 O LEU A 6 6.908 -5.545 1.561 1.00 0.00 O ATOM 92 CB LEU A 6 6.527 -6.542 -1.531 1.00 0.00 C ATOM 93 CG LEU A 6 5.858 -7.728 -0.832 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.930 -8.477 -1.792 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.902 -8.654 -0.205 1.00 0.00 C ATOM 0 H LEU A 6 7.038 -4.387 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 6 5.453 -5.089 -0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.052 -6.403 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.570 -6.798 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 6 5.240 -7.343 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.467 -9.315 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.155 -7.800 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.507 -8.850 -2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.401 -9.488 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.564 -9.035 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.486 -8.099 0.530 1.00 0.00 H new ATOM 107 N VAL A 7 8.603 -4.761 0.284 1.00 0.00 N ATOM 108 CA VAL A 7 9.546 -4.685 1.386 1.00 0.00 C ATOM 109 C VAL A 7 9.894 -3.219 1.654 1.00 0.00 C ATOM 110 O VAL A 7 10.283 -2.493 0.742 1.00 0.00 O ATOM 111 CB VAL A 7 10.775 -5.545 1.082 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.869 -5.328 2.130 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.398 -7.024 0.982 1.00 0.00 C ATOM 0 H VAL A 7 8.976 -4.465 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 7 9.102 -5.085 2.297 1.00 0.00 H new ATOM 0 HB VAL A 7 11.171 -5.234 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.731 -5.951 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.168 -4.280 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.488 -5.599 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.289 -7.613 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.966 -7.354 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.670 -7.161 0.183 1.00 0.00 H new ATOM 123 N PRO A 8 9.742 -2.829 2.911 1.00 0.00 N ATOM 124 CA PRO A 8 10.359 -1.557 3.405 1.00 0.00 C ATOM 125 C PRO A 8 11.913 -1.365 3.351 1.00 0.00 C ATOM 126 O PRO A 8 12.510 -0.836 4.288 1.00 0.00 O ATOM 127 CB PRO A 8 9.797 -1.452 4.841 1.00 0.00 C ATOM 128 CG PRO A 8 8.596 -2.398 4.890 1.00 0.00 C ATOM 129 CD PRO A 8 8.973 -3.537 3.945 1.00 0.00 C ATOM 0 HA PRO A 8 10.095 -0.754 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.549 -1.737 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.498 -0.429 5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.418 -2.763 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.683 -1.898 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.567 -4.302 4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.095 -4.034 3.533 1.00 0.00 H new ATOM 137 N ILE A 9 12.495 -1.809 2.247 1.00 0.00 N ATOM 138 CA ILE A 9 13.931 -1.697 2.060 1.00 0.00 C ATOM 139 C ILE A 9 14.217 -0.770 0.876 1.00 0.00 C ATOM 140 O ILE A 9 15.218 -0.055 0.870 1.00 0.00 O ATOM 141 CB ILE A 9 14.564 -3.083 1.922 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.077 -3.020 2.142 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.206 -3.718 0.577 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.769 -2.301 0.982 1.00 0.00 C ATOM 0 H ILE A 9 11.997 -2.247 1.472 1.00 0.00 H new ATOM 0 HA ILE A 9 14.394 -1.246 2.938 1.00 0.00 H new ATOM 0 HB ILE A 9 14.152 -3.725 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.291 -2.501 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.477 -4.029 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.669 -4.702 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.124 -3.819 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.570 -3.086 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.843 -2.270 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.573 -2.836 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.384 -1.284 0.903 1.00 0.00 H new ATOM 156 N ALA A 10 13.320 -0.813 -0.098 1.00 0.00 N ATOM 157 CA ALA A 10 13.462 0.013 -1.284 1.00 0.00 C ATOM 158 C ALA A 10 12.163 0.786 -1.522 1.00 0.00 C ATOM 159 O ALA A 10 11.077 0.210 -1.474 1.00 0.00 O ATOM 160 CB ALA A 10 13.845 -0.865 -2.477 1.00 0.00 C ATOM 0 H ALA A 10 12.491 -1.408 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 10 14.260 0.743 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.951 -0.244 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.790 -1.368 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.067 -1.610 -2.645 1.00 0.00 H new ATOM 166 N TYR A 11 12.317 2.078 -1.773 1.00 0.00 N ATOM 167 CA TYR A 11 11.170 2.934 -2.018 1.00 0.00 C ATOM 168 C TYR A 11 11.550 4.121 -2.906 1.00 0.00 C ATOM 169 O TYR A 11 12.714 4.517 -2.952 1.00 0.00 O ATOM 170 CB TYR A 11 10.733 3.457 -0.649 1.00 0.00 C ATOM 171 CG TYR A 11 11.858 4.114 0.155 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.747 3.332 0.863 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.984 5.488 0.170 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.805 3.950 1.619 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.043 6.105 0.925 1.00 0.00 C ATOM 176 CZ TYR A 11 13.901 5.307 1.612 1.00 0.00 C ATOM 177 OH TYR A 11 14.901 5.890 2.326 1.00 0.00 O ATOM 0 H TYR A 11 13.219 2.552 -1.812 1.00 0.00 H new ATOM 0 HA TYR A 11 10.380 2.380 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.929 4.180 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.322 2.630 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.649 2.256 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.288 6.100 -0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.507 3.350 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.153 7.179 0.945 1.00 0.00 H new ATOM 0 HH TYR A 11 14.848 6.864 2.228 1.00 0.00 H new ATOM 187 N LYS A 12 10.549 4.655 -3.588 1.00 0.00 N ATOM 188 CA LYS A 12 10.764 5.788 -4.471 1.00 0.00 C ATOM 189 C LYS A 12 9.679 6.837 -4.222 1.00 0.00 C ATOM 190 O LYS A 12 8.876 6.698 -3.301 1.00 0.00 O ATOM 191 CB LYS A 12 10.849 5.325 -5.927 1.00 0.00 C ATOM 192 CG LYS A 12 12.225 4.731 -6.234 1.00 0.00 C ATOM 193 CD LYS A 12 13.125 5.760 -6.922 1.00 0.00 C ATOM 194 CE LYS A 12 12.793 5.871 -8.411 1.00 0.00 C ATOM 195 NZ LYS A 12 13.386 4.741 -9.159 1.00 0.00 N ATOM 0 H LYS A 12 9.585 4.324 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 12 11.722 6.262 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.076 4.581 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.656 6.167 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.694 4.393 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.113 3.855 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.002 6.732 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.170 5.474 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.712 5.879 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.172 6.814 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.254 4.893 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.402 4.680 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.919 3.855 -8.877 1.00 0.00 H new ATOM 209 N THR A 13 9.690 7.865 -5.059 1.00 0.00 N ATOM 210 CA THR A 13 8.717 8.937 -4.942 1.00 0.00 C ATOM 211 C THR A 13 7.438 8.582 -5.703 1.00 0.00 C ATOM 212 O THR A 13 7.482 8.295 -6.898 1.00 0.00 O ATOM 213 CB THR A 13 9.376 10.229 -5.428 1.00 0.00 C ATOM 214 OG1 THR A 13 9.870 10.837 -4.238 1.00 0.00 O ATOM 215 CG2 THR A 13 8.359 11.237 -5.968 1.00 0.00 C ATOM 0 H THR A 13 10.358 7.978 -5.821 1.00 0.00 H new ATOM 0 HA THR A 13 8.411 9.082 -3.906 1.00 0.00 H new ATOM 0 HB THR A 13 10.103 9.995 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.315 11.681 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.879 12.136 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.822 10.797 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.651 11.497 -5.181 1.00 0.00 H new ATOM 223 N CYS A 14 6.328 8.614 -4.979 1.00 0.00 N ATOM 224 CA CYS A 14 5.040 8.299 -5.571 1.00 0.00 C ATOM 225 C CYS A 14 4.679 9.413 -6.557 1.00 0.00 C ATOM 226 O CYS A 14 4.281 10.502 -6.149 1.00 0.00 O ATOM 227 CB CYS A 14 3.959 8.108 -4.505 1.00 0.00 C ATOM 228 SG CYS A 14 4.194 6.648 -3.427 1.00 0.00 S ATOM 0 H CYS A 14 6.295 8.853 -3.988 1.00 0.00 H new ATOM 0 HA CYS A 14 5.104 7.350 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.922 9.001 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.991 8.025 -5.000 1.00 0.00 H new ATOM 233 N PRO A 15 4.832 9.100 -7.835 1.00 0.00 N ATOM 234 CA PRO A 15 4.852 10.161 -8.892 1.00 0.00 C ATOM 235 C PRO A 15 3.621 11.117 -9.070 1.00 0.00 C ATOM 236 O PRO A 15 2.671 11.063 -8.291 1.00 0.00 O ATOM 237 CB PRO A 15 5.162 9.350 -10.170 1.00 0.00 C ATOM 238 CG PRO A 15 4.707 7.919 -9.878 1.00 0.00 C ATOM 239 CD PRO A 15 4.992 7.728 -8.390 1.00 0.00 C ATOM 0 HA PRO A 15 5.579 10.921 -8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.634 9.760 -11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.226 9.382 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.648 7.785 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.254 7.196 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.295 7.025 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.996 7.339 -8.219 1.00 0.00 H new ATOM 247 N GLU A 16 3.703 11.949 -10.098 1.00 0.00 N ATOM 248 CA GLU A 16 2.634 12.892 -10.384 1.00 0.00 C ATOM 249 C GLU A 16 1.302 12.155 -10.531 1.00 0.00 C ATOM 250 O GLU A 16 1.185 11.228 -11.330 1.00 0.00 O ATOM 251 CB GLU A 16 2.948 13.712 -11.636 1.00 0.00 C ATOM 252 CG GLU A 16 1.928 14.837 -11.825 1.00 0.00 C ATOM 253 CD GLU A 16 2.544 16.015 -12.582 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.135 16.881 -11.900 1.00 0.00 O ATOM 255 OE2 GLU A 16 2.412 16.023 -13.825 1.00 0.00 O ATOM 0 H GLU A 16 4.492 11.990 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 16 2.553 13.585 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.950 14.134 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.944 13.062 -12.511 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.064 14.461 -12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.568 15.173 -10.853 1.00 0.00 H new ATOM 262 N GLY A 17 0.329 12.595 -9.745 1.00 0.00 N ATOM 263 CA GLY A 17 -0.991 11.989 -9.778 1.00 0.00 C ATOM 264 C GLY A 17 -1.215 11.097 -8.555 1.00 0.00 C ATOM 265 O GLY A 17 -2.310 11.067 -7.996 1.00 0.00 O ATOM 0 H GLY A 17 0.429 13.364 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.752 12.768 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.102 11.399 -10.688 1.00 0.00 H new ATOM 269 N LYS A 18 -0.159 10.392 -8.175 1.00 0.00 N ATOM 270 CA LYS A 18 -0.227 9.502 -7.029 1.00 0.00 C ATOM 271 C LYS A 18 0.704 10.020 -5.931 1.00 0.00 C ATOM 272 O LYS A 18 1.923 9.904 -6.040 1.00 0.00 O ATOM 273 CB LYS A 18 0.064 8.060 -7.453 1.00 0.00 C ATOM 274 CG LYS A 18 -1.103 7.477 -8.251 1.00 0.00 C ATOM 275 CD LYS A 18 -0.848 6.010 -8.602 1.00 0.00 C ATOM 276 CE LYS A 18 -0.086 5.887 -9.924 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.030 5.828 -11.063 1.00 0.00 N ATOM 0 H LYS A 18 0.748 10.419 -8.641 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.235 9.491 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.972 8.031 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.247 7.448 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.023 7.562 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.248 8.054 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.278 5.535 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.797 5.479 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.585 6.737 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.534 4.991 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.497 5.745 -11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.654 5.003 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.604 6.695 -11.084 1.00 0.00 H new ATOM 291 N ASN A 19 0.093 10.579 -4.897 1.00 0.00 N ATOM 292 CA ASN A 19 0.851 11.115 -3.780 1.00 0.00 C ATOM 293 C ASN A 19 0.440 10.393 -2.496 1.00 0.00 C ATOM 294 O ASN A 19 0.802 10.815 -1.399 1.00 0.00 O ATOM 295 CB ASN A 19 0.574 12.609 -3.592 1.00 0.00 C ATOM 296 CG ASN A 19 1.687 13.275 -2.783 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.830 12.848 -2.781 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.292 14.344 -2.096 1.00 0.00 N ATOM 0 H ASN A 19 -0.919 10.672 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 19 1.910 10.968 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.488 13.092 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.381 12.744 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.962 14.859 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.320 14.649 -2.141 1.00 0.00 H new ATOM 305 N LEU A 20 -0.312 9.317 -2.676 1.00 0.00 N ATOM 306 CA LEU A 20 -0.777 8.531 -1.545 1.00 0.00 C ATOM 307 C LEU A 20 -0.218 7.111 -1.651 1.00 0.00 C ATOM 308 O LEU A 20 -0.134 6.554 -2.745 1.00 0.00 O ATOM 309 CB LEU A 20 -2.303 8.586 -1.445 1.00 0.00 C ATOM 310 CG LEU A 20 -2.912 9.973 -1.236 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.439 9.920 -1.313 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.426 10.593 0.076 1.00 0.00 C ATOM 0 H LEU A 20 -0.611 8.971 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.404 8.951 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.722 8.161 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.617 7.945 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.572 10.620 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.846 10.920 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.741 9.550 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.819 9.252 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.874 11.579 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.717 9.954 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.340 10.688 0.053 1.00 0.00 H new ATOM 324 N CYS A 21 0.149 6.566 -0.501 1.00 0.00 N ATOM 325 CA CYS A 21 0.697 5.221 -0.452 1.00 0.00 C ATOM 326 C CYS A 21 -0.273 4.336 0.334 1.00 0.00 C ATOM 327 O CYS A 21 -0.646 4.664 1.459 1.00 0.00 O ATOM 328 CB CYS A 21 2.102 5.205 0.153 1.00 0.00 C ATOM 329 SG CYS A 21 3.173 6.599 -0.358 1.00 0.00 S ATOM 0 H CYS A 21 0.078 7.031 0.404 1.00 0.00 H new ATOM 0 HA CYS A 21 0.804 4.831 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.015 5.211 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.590 4.270 -0.122 1.00 0.00 H new ATOM 334 N TYR A 22 -0.653 3.231 -0.289 1.00 0.00 N ATOM 335 CA TYR A 22 -1.572 2.295 0.337 1.00 0.00 C ATOM 336 C TYR A 22 -0.954 0.899 0.429 1.00 0.00 C ATOM 337 O TYR A 22 0.030 0.605 -0.249 1.00 0.00 O ATOM 338 CB TYR A 22 -2.800 2.238 -0.572 1.00 0.00 C ATOM 339 CG TYR A 22 -2.565 1.496 -1.890 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.462 0.120 -1.898 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.456 2.204 -3.070 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.242 -0.578 -3.139 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.235 1.506 -4.310 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.138 0.150 -4.283 1.00 0.00 C ATOM 345 OH TYR A 22 -1.930 -0.509 -5.454 1.00 0.00 O ATOM 0 H TYR A 22 -0.341 2.962 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.817 2.616 1.350 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.615 1.753 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.124 3.255 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.546 -0.433 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.536 3.281 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.162 -1.655 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.148 2.047 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.877 0.138 -6.188 1.00 0.00 H new ATOM 355 N LYS A 23 -1.557 0.075 1.274 1.00 0.00 N ATOM 356 CA LYS A 23 -1.078 -1.284 1.463 1.00 0.00 C ATOM 357 C LYS A 23 -2.269 -2.206 1.733 1.00 0.00 C ATOM 358 O LYS A 23 -2.931 -2.086 2.762 1.00 0.00 O ATOM 359 CB LYS A 23 -0.006 -1.328 2.555 1.00 0.00 C ATOM 360 CG LYS A 23 -0.477 -0.598 3.814 1.00 0.00 C ATOM 361 CD LYS A 23 0.084 0.826 3.864 1.00 0.00 C ATOM 362 CE LYS A 23 0.780 1.094 5.200 1.00 0.00 C ATOM 363 NZ LYS A 23 -0.217 1.326 6.267 1.00 0.00 N ATOM 0 H LYS A 23 -2.372 0.322 1.835 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.592 -1.646 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.229 -2.364 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.912 -0.871 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.566 -0.565 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.159 -1.149 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.790 0.972 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.723 1.544 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.413 0.246 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.432 1.962 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.273 1.506 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.803 2.149 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.823 0.486 6.365 1.00 0.00 H new ATOM 377 N MET A 24 -2.505 -3.107 0.789 1.00 0.00 N ATOM 378 CA MET A 24 -3.604 -4.049 0.913 1.00 0.00 C ATOM 379 C MET A 24 -3.154 -5.327 1.624 1.00 0.00 C ATOM 380 O MET A 24 -2.150 -5.929 1.249 1.00 0.00 O ATOM 381 CB MET A 24 -4.135 -4.398 -0.478 1.00 0.00 C ATOM 382 CG MET A 24 -5.177 -3.379 -0.941 1.00 0.00 C ATOM 383 SD MET A 24 -4.444 -2.239 -2.102 1.00 0.00 S ATOM 384 CE MET A 24 -4.918 -3.016 -3.639 1.00 0.00 C ATOM 0 H MET A 24 -1.954 -3.204 -0.064 1.00 0.00 H new ATOM 0 HA MET A 24 -4.391 -3.584 1.507 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.309 -4.427 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.578 -5.394 -0.462 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.019 -3.893 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.571 -2.834 -0.083 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.098 -2.941 -4.353 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.148 -4.066 -3.460 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.798 -2.516 -4.043 1.00 0.00 H new ATOM 394 N PHE A 25 -3.920 -5.703 2.637 1.00 0.00 N ATOM 395 CA PHE A 25 -3.613 -6.898 3.404 1.00 0.00 C ATOM 396 C PHE A 25 -4.672 -7.979 3.182 1.00 0.00 C ATOM 397 O PHE A 25 -5.854 -7.757 3.439 1.00 0.00 O ATOM 398 CB PHE A 25 -3.614 -6.495 4.880 1.00 0.00 C ATOM 399 CG PHE A 25 -2.621 -5.382 5.222 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.913 -4.091 4.911 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.446 -5.684 5.838 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.992 -3.058 5.228 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.525 -4.651 6.155 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.817 -3.360 5.843 1.00 0.00 C ATOM 0 H PHE A 25 -4.753 -5.201 2.945 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.649 -7.302 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.617 -6.171 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.384 -7.372 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.846 -3.851 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.214 -6.709 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.224 -2.033 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.408 -4.891 6.644 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.116 -2.574 6.084 1.00 0.00 H new ATOM 414 N MET A 26 -4.210 -9.127 2.708 1.00 0.00 N ATOM 415 CA MET A 26 -5.103 -10.243 2.448 1.00 0.00 C ATOM 416 C MET A 26 -5.350 -11.056 3.722 1.00 0.00 C ATOM 417 O MET A 26 -4.523 -11.053 4.633 1.00 0.00 O ATOM 418 CB MET A 26 -4.493 -11.147 1.376 1.00 0.00 C ATOM 419 CG MET A 26 -5.561 -11.633 0.394 1.00 0.00 C ATOM 420 SD MET A 26 -5.826 -13.386 0.597 1.00 0.00 S ATOM 421 CE MET A 26 -4.619 -14.018 -0.557 1.00 0.00 C ATOM 0 H MET A 26 -3.229 -9.308 2.497 1.00 0.00 H new ATOM 0 HA MET A 26 -6.057 -9.847 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.718 -10.604 0.836 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.012 -12.003 1.848 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.493 -11.094 0.562 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.250 -11.420 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.651 -15.108 -0.556 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.844 -13.649 -1.558 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.624 -13.684 -0.263 1.00 0.00 H new ATOM 431 N MET A 27 -6.490 -11.730 3.744 1.00 0.00 N ATOM 432 CA MET A 27 -6.856 -12.545 4.889 1.00 0.00 C ATOM 433 C MET A 27 -7.000 -11.687 6.148 1.00 0.00 C ATOM 434 O MET A 27 -8.106 -11.498 6.651 1.00 0.00 O ATOM 435 CB MET A 27 -5.784 -13.612 5.119 1.00 0.00 C ATOM 436 CG MET A 27 -6.049 -14.850 4.260 1.00 0.00 C ATOM 437 SD MET A 27 -4.504 -15.553 3.708 1.00 0.00 S ATOM 438 CE MET A 27 -4.868 -17.290 3.897 1.00 0.00 C ATOM 0 H MET A 27 -7.173 -11.728 2.986 1.00 0.00 H new ATOM 0 HA MET A 27 -7.815 -13.019 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.802 -13.203 4.881 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.765 -13.893 6.172 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.609 -15.588 4.834 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.663 -14.582 3.401 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.002 -17.878 3.594 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.103 -17.501 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 27 -5.722 -17.553 3.273 1.00 0.00 H new ATOM 448 N SER A 28 -5.867 -11.191 6.621 1.00 0.00 N ATOM 449 CA SER A 28 -5.853 -10.358 7.811 1.00 0.00 C ATOM 450 C SER A 28 -4.697 -9.358 7.738 1.00 0.00 C ATOM 451 O SER A 28 -3.668 -9.638 7.125 1.00 0.00 O ATOM 452 CB SER A 28 -5.740 -11.208 9.079 1.00 0.00 C ATOM 453 OG SER A 28 -6.967 -11.857 9.397 1.00 0.00 O ATOM 0 H SER A 28 -4.951 -11.350 6.201 1.00 0.00 H new ATOM 0 HA SER A 28 -6.795 -9.812 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.958 -11.956 8.946 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.437 -10.576 9.914 1.00 0.00 H new ATOM 0 HG SER A 28 -7.600 -11.740 8.658 1.00 0.00 H new ATOM 459 N ASP A 29 -4.906 -8.213 8.371 1.00 0.00 N ATOM 460 CA ASP A 29 -3.894 -7.171 8.386 1.00 0.00 C ATOM 461 C ASP A 29 -3.051 -7.301 9.656 1.00 0.00 C ATOM 462 O ASP A 29 -1.920 -6.821 9.706 1.00 0.00 O ATOM 463 CB ASP A 29 -4.534 -5.781 8.383 1.00 0.00 C ATOM 464 CG ASP A 29 -5.888 -5.691 9.091 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.856 -6.255 8.537 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.923 -5.062 10.170 1.00 0.00 O ATOM 0 H ASP A 29 -5.761 -7.984 8.877 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.279 -7.287 7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.846 -5.080 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.659 -5.457 7.350 1.00 0.00 H new ATOM 471 N LEU A 30 -3.635 -7.952 10.651 1.00 0.00 N ATOM 472 CA LEU A 30 -2.952 -8.151 11.917 1.00 0.00 C ATOM 473 C LEU A 30 -1.518 -8.614 11.651 1.00 0.00 C ATOM 474 O LEU A 30 -0.628 -8.391 12.471 1.00 0.00 O ATOM 475 CB LEU A 30 -3.749 -9.102 12.812 1.00 0.00 C ATOM 476 CG LEU A 30 -5.018 -8.524 13.442 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.840 -9.620 14.124 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.682 -7.380 14.401 1.00 0.00 C ATOM 0 H LEU A 30 -4.574 -8.348 10.606 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.887 -7.212 12.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.025 -9.977 12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.096 -9.449 13.612 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.635 -8.107 12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.736 -9.182 14.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.126 -10.371 13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.243 -10.088 14.907 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.601 -6.987 14.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.035 -7.750 15.196 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.170 -6.587 13.856 1.00 0.00 H new ATOM 490 N THR A 31 -1.339 -9.251 10.503 1.00 0.00 N ATOM 491 CA THR A 31 -0.028 -9.748 10.120 1.00 0.00 C ATOM 492 C THR A 31 0.618 -8.810 9.099 1.00 0.00 C ATOM 493 O THR A 31 0.269 -7.633 9.023 1.00 0.00 O ATOM 494 CB THR A 31 -0.197 -11.179 9.608 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.046 -11.044 8.471 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.001 -12.056 10.571 1.00 0.00 C ATOM 0 H THR A 31 -2.079 -9.434 9.826 1.00 0.00 H new ATOM 0 HA THR A 31 0.652 -9.770 10.971 1.00 0.00 H new ATOM 0 HB THR A 31 0.785 -11.624 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.206 -11.926 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.091 -13.061 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.491 -12.103 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.995 -11.630 10.708 1.00 0.00 H new ATOM 504 N ILE A 32 1.552 -9.367 8.340 1.00 0.00 N ATOM 505 CA ILE A 32 2.251 -8.594 7.327 1.00 0.00 C ATOM 506 C ILE A 32 1.441 -8.609 6.030 1.00 0.00 C ATOM 507 O ILE A 32 0.755 -9.586 5.735 1.00 0.00 O ATOM 508 CB ILE A 32 3.686 -9.102 7.162 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.687 -8.132 7.792 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.003 -9.379 5.692 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.706 -8.277 9.316 1.00 0.00 C ATOM 0 H ILE A 32 1.840 -10.343 8.407 1.00 0.00 H new ATOM 0 HA ILE A 32 2.339 -7.552 7.636 1.00 0.00 H new ATOM 0 HB ILE A 32 3.777 -10.049 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.683 -8.322 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.425 -7.108 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.028 -9.739 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.318 -10.135 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.889 -8.461 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.426 -7.576 9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.714 -8.063 9.714 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.992 -9.295 9.581 1.00 0.00 H new ATOM 523 N PRO A 33 1.546 -7.514 5.291 1.00 0.00 N ATOM 524 CA PRO A 33 0.730 -7.342 4.048 1.00 0.00 C ATOM 525 C PRO A 33 0.946 -8.299 2.825 1.00 0.00 C ATOM 526 O PRO A 33 1.697 -9.269 2.917 1.00 0.00 O ATOM 527 CB PRO A 33 0.982 -5.859 3.691 1.00 0.00 C ATOM 528 CG PRO A 33 2.350 -5.512 4.282 1.00 0.00 C ATOM 529 CD PRO A 33 2.434 -6.353 5.555 1.00 0.00 C ATOM 0 HA PRO A 33 -0.299 -7.627 4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.974 -5.710 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.203 -5.219 4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.156 -5.756 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.430 -4.447 4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.457 -6.672 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.102 -5.789 6.426 1.00 0.00 H new ATOM 537 N VAL A 34 0.269 -7.975 1.733 1.00 0.00 N ATOM 538 CA VAL A 34 0.371 -8.773 0.524 1.00 0.00 C ATOM 539 C VAL A 34 0.856 -7.888 -0.626 1.00 0.00 C ATOM 540 O VAL A 34 1.722 -8.291 -1.402 1.00 0.00 O ATOM 541 CB VAL A 34 -0.966 -9.455 0.231 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.197 -10.637 1.174 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.121 -8.454 0.314 1.00 0.00 C ATOM 0 H VAL A 34 -0.353 -7.170 1.661 1.00 0.00 H new ATOM 0 HA VAL A 34 1.104 -9.569 0.653 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.929 -9.841 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.155 -11.104 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.397 -11.367 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.204 -10.284 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.061 -8.964 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.159 -8.025 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.967 -7.659 -0.416 1.00 0.00 H new ATOM 553 N LYS A 35 0.278 -6.699 -0.700 1.00 0.00 N ATOM 554 CA LYS A 35 0.640 -5.754 -1.743 1.00 0.00 C ATOM 555 C LYS A 35 0.476 -4.328 -1.212 1.00 0.00 C ATOM 556 O LYS A 35 -0.331 -4.085 -0.316 1.00 0.00 O ATOM 557 CB LYS A 35 -0.158 -6.031 -3.018 1.00 0.00 C ATOM 558 CG LYS A 35 -1.615 -5.594 -2.859 1.00 0.00 C ATOM 559 CD LYS A 35 -2.311 -5.500 -4.219 1.00 0.00 C ATOM 560 CE LYS A 35 -3.549 -6.400 -4.265 1.00 0.00 C ATOM 561 NZ LYS A 35 -4.138 -6.402 -5.622 1.00 0.00 N ATOM 0 H LYS A 35 -0.439 -6.368 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 35 1.688 -5.874 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.295 -5.502 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.117 -7.095 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.144 -6.304 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.656 -4.627 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.600 -4.467 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.617 -5.790 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.278 -7.416 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.287 -6.051 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.976 -7.017 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.415 -5.434 -5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.437 -6.757 -6.304 1.00 0.00 H new ATOM 575 N ARG A 36 1.253 -3.423 -1.788 1.00 0.00 N ATOM 576 CA ARG A 36 1.203 -2.028 -1.385 1.00 0.00 C ATOM 577 C ARG A 36 1.918 -1.152 -2.415 1.00 0.00 C ATOM 578 O ARG A 36 3.014 -1.486 -2.865 1.00 0.00 O ATOM 579 CB ARG A 36 1.852 -1.827 -0.015 1.00 0.00 C ATOM 580 CG ARG A 36 3.288 -2.357 -0.006 1.00 0.00 C ATOM 581 CD ARG A 36 3.407 -3.602 0.875 1.00 0.00 C ATOM 582 NE ARG A 36 4.415 -3.375 1.937 1.00 0.00 N ATOM 583 CZ ARG A 36 4.169 -2.712 3.075 1.00 0.00 C ATOM 584 NH1 ARG A 36 2.951 -2.206 3.307 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.143 -2.555 3.982 1.00 0.00 N ATOM 0 H ARG A 36 1.921 -3.629 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 36 0.154 -1.738 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.850 -0.767 0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.266 -2.340 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.598 -2.596 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.963 -1.583 0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.441 -3.835 1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.693 -4.461 0.268 1.00 0.00 H new ATOM 0 HE ARG A 36 5.354 -3.746 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.209 -2.325 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.765 -1.701 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.071 -2.940 3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.956 -2.050 4.849 1.00 0.00 H new ATOM 599 N GLY A 37 1.271 -0.048 -2.757 1.00 0.00 N ATOM 600 CA GLY A 37 1.833 0.879 -3.726 1.00 0.00 C ATOM 601 C GLY A 37 1.292 2.293 -3.510 1.00 0.00 C ATOM 602 O GLY A 37 0.819 2.621 -2.422 1.00 0.00 O ATOM 0 H GLY A 37 0.363 0.226 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.920 0.885 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.594 0.545 -4.736 1.00 0.00 H new ATOM 606 N CYS A 38 1.378 3.093 -4.563 1.00 0.00 N ATOM 607 CA CYS A 38 0.901 4.465 -4.501 1.00 0.00 C ATOM 608 C CYS A 38 -0.454 4.535 -5.206 1.00 0.00 C ATOM 609 O CYS A 38 -0.816 3.629 -5.955 1.00 0.00 O ATOM 610 CB CYS A 38 1.912 5.440 -5.108 1.00 0.00 C ATOM 611 SG CYS A 38 3.655 5.129 -4.646 1.00 0.00 S ATOM 0 H CYS A 38 1.771 2.818 -5.463 1.00 0.00 H new ATOM 0 HA CYS A 38 0.782 4.766 -3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.826 5.400 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.646 6.452 -4.804 1.00 0.00 H new ATOM 616 N ILE A 39 -1.167 5.620 -4.941 1.00 0.00 N ATOM 617 CA ILE A 39 -2.476 5.819 -5.540 1.00 0.00 C ATOM 618 C ILE A 39 -2.876 7.289 -5.400 1.00 0.00 C ATOM 619 O ILE A 39 -2.174 8.069 -4.759 1.00 0.00 O ATOM 620 CB ILE A 39 -3.494 4.845 -4.945 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.727 4.724 -5.840 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.860 5.242 -3.513 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.242 3.284 -5.874 1.00 0.00 C ATOM 0 H ILE A 39 -0.863 6.370 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.445 5.596 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.035 3.858 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.512 5.386 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.480 5.050 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.585 4.533 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.964 5.233 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.292 6.243 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.120 3.227 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.463 2.628 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.511 2.970 -4.865 1.00 0.00 H new ATOM 635 N ASP A 40 -4.005 7.622 -6.009 1.00 0.00 N ATOM 636 CA ASP A 40 -4.508 8.985 -5.960 1.00 0.00 C ATOM 637 C ASP A 40 -5.776 9.025 -5.103 1.00 0.00 C ATOM 638 O ASP A 40 -6.015 9.996 -4.386 1.00 0.00 O ATOM 639 CB ASP A 40 -4.867 9.491 -7.358 1.00 0.00 C ATOM 640 CG ASP A 40 -5.882 8.633 -8.116 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.497 7.509 -8.506 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.020 9.120 -8.289 1.00 0.00 O ATOM 0 H ASP A 40 -4.586 6.972 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.727 9.617 -5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.262 10.503 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.954 9.555 -7.950 1.00 0.00 H new ATOM 647 N VAL A 41 -6.556 7.959 -5.206 1.00 0.00 N ATOM 648 CA VAL A 41 -7.792 7.860 -4.450 1.00 0.00 C ATOM 649 C VAL A 41 -7.922 6.448 -3.874 1.00 0.00 C ATOM 650 O VAL A 41 -7.817 5.464 -4.606 1.00 0.00 O ATOM 651 CB VAL A 41 -8.978 8.257 -5.333 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.306 7.915 -4.654 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.916 9.741 -5.698 1.00 0.00 C ATOM 0 H VAL A 41 -6.355 7.156 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.782 8.554 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.916 7.681 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.132 8.207 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.353 6.842 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.380 8.452 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.770 9.997 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.941 10.341 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.993 9.944 -6.241 1.00 0.00 H new ATOM 663 N CYS A 42 -8.149 6.394 -2.571 1.00 0.00 N ATOM 664 CA CYS A 42 -8.295 5.119 -1.889 1.00 0.00 C ATOM 665 C CYS A 42 -9.540 4.419 -2.438 1.00 0.00 C ATOM 666 O CYS A 42 -10.652 4.929 -2.303 1.00 0.00 O ATOM 667 CB CYS A 42 -8.360 5.293 -0.371 1.00 0.00 C ATOM 668 SG CYS A 42 -7.940 3.796 0.593 1.00 0.00 S ATOM 0 H CYS A 42 -8.236 7.212 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.418 4.500 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.682 6.096 -0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.366 5.613 -0.099 1.00 0.00 H new ATOM 673 N PRO A 43 -9.313 3.264 -3.044 1.00 0.00 N ATOM 674 CA PRO A 43 -10.437 2.327 -3.366 1.00 0.00 C ATOM 675 C PRO A 43 -11.298 1.706 -2.213 1.00 0.00 C ATOM 676 O PRO A 43 -10.972 1.861 -1.037 1.00 0.00 O ATOM 677 CB PRO A 43 -9.734 1.252 -4.226 1.00 0.00 C ATOM 678 CG PRO A 43 -8.399 1.864 -4.653 1.00 0.00 C ATOM 679 CD PRO A 43 -8.002 2.759 -3.480 1.00 0.00 C ATOM 0 HA PRO A 43 -11.235 2.894 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.579 0.336 -3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.339 0.989 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.650 1.094 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.501 2.437 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.494 2.203 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.333 3.563 -3.785 1.00 0.00 H new ATOM 687 N LYS A 44 -12.364 1.030 -2.613 1.00 0.00 N ATOM 688 CA LYS A 44 -13.254 0.399 -1.653 1.00 0.00 C ATOM 689 C LYS A 44 -12.592 -0.867 -1.105 1.00 0.00 C ATOM 690 O LYS A 44 -12.170 -1.731 -1.871 1.00 0.00 O ATOM 691 CB LYS A 44 -14.629 0.154 -2.278 1.00 0.00 C ATOM 692 CG LYS A 44 -15.183 1.434 -2.907 1.00 0.00 C ATOM 693 CD LYS A 44 -15.946 1.126 -4.196 1.00 0.00 C ATOM 694 CE LYS A 44 -15.034 1.253 -5.418 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.802 1.031 -6.663 1.00 0.00 N ATOM 0 H LYS A 44 -12.632 0.905 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.429 1.060 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.554 -0.625 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.319 -0.209 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.844 1.934 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.365 2.122 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.356 0.117 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.790 1.809 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.577 2.243 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.222 0.529 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.168 1.121 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.217 0.078 -6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.561 1.738 -6.733 1.00 0.00 H new ATOM 709 N ASN A 45 -12.524 -0.937 0.216 1.00 0.00 N ATOM 710 CA ASN A 45 -11.921 -2.082 0.876 1.00 0.00 C ATOM 711 C ASN A 45 -12.886 -3.268 0.811 1.00 0.00 C ATOM 712 O ASN A 45 -14.067 -3.096 0.514 1.00 0.00 O ATOM 713 CB ASN A 45 -11.637 -1.784 2.348 1.00 0.00 C ATOM 714 CG ASN A 45 -11.032 -3.003 3.048 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.333 -3.808 2.456 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.340 -3.093 4.339 1.00 0.00 N ATOM 0 H ASN A 45 -12.877 -0.218 0.848 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.984 -2.309 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.953 -0.939 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.561 -1.494 2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.985 -3.871 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.931 -2.384 4.773 1.00 0.00 H new ATOM 723 N SER A 46 -12.347 -4.445 1.094 1.00 0.00 N ATOM 724 CA SER A 46 -13.145 -5.659 1.072 1.00 0.00 C ATOM 725 C SER A 46 -13.064 -6.363 2.428 1.00 0.00 C ATOM 726 O SER A 46 -12.376 -5.895 3.334 1.00 0.00 O ATOM 727 CB SER A 46 -12.686 -6.600 -0.042 1.00 0.00 C ATOM 728 OG SER A 46 -11.389 -7.133 0.209 1.00 0.00 O ATOM 0 H SER A 46 -11.367 -4.584 1.340 1.00 0.00 H new ATOM 0 HA SER A 46 -14.181 -5.383 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.400 -7.417 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.680 -6.063 -0.990 1.00 0.00 H new ATOM 0 HG SER A 46 -10.824 -6.442 0.614 1.00 0.00 H new ATOM 734 N LEU A 47 -13.778 -7.475 2.525 1.00 0.00 N ATOM 735 CA LEU A 47 -13.794 -8.249 3.755 1.00 0.00 C ATOM 736 C LEU A 47 -12.680 -9.296 3.710 1.00 0.00 C ATOM 737 O LEU A 47 -12.309 -9.858 4.739 1.00 0.00 O ATOM 738 CB LEU A 47 -15.185 -8.839 3.997 1.00 0.00 C ATOM 739 CG LEU A 47 -16.349 -8.118 3.313 1.00 0.00 C ATOM 740 CD1 LEU A 47 -16.169 -6.600 3.380 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.529 -8.611 1.876 1.00 0.00 C ATOM 0 H LEU A 47 -14.350 -7.858 1.772 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.591 -7.607 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.181 -9.877 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.371 -8.850 5.071 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.265 -8.357 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -17.010 -6.112 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.127 -6.284 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.242 -6.321 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.362 -8.083 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.618 -8.420 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.735 -9.681 1.882 1.00 0.00 H new ATOM 753 N LEU A 48 -12.179 -9.527 2.506 1.00 0.00 N ATOM 754 CA LEU A 48 -11.114 -10.498 2.313 1.00 0.00 C ATOM 755 C LEU A 48 -9.760 -9.792 2.421 1.00 0.00 C ATOM 756 O LEU A 48 -8.783 -10.386 2.871 1.00 0.00 O ATOM 757 CB LEU A 48 -11.310 -11.253 0.997 1.00 0.00 C ATOM 758 CG LEU A 48 -10.862 -12.716 0.990 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.381 -12.837 1.355 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.748 -13.566 1.901 1.00 0.00 C ATOM 0 H LEU A 48 -12.490 -9.059 1.654 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.143 -11.256 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.367 -11.216 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.768 -10.724 0.213 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.977 -13.103 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.088 -13.887 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.782 -12.284 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.217 -12.426 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.407 -14.601 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.689 -13.188 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.780 -13.516 1.555 1.00 0.00 H new ATOM 772 N VAL A 49 -9.749 -8.536 2.001 1.00 0.00 N ATOM 773 CA VAL A 49 -8.532 -7.743 2.045 1.00 0.00 C ATOM 774 C VAL A 49 -8.787 -6.471 2.854 1.00 0.00 C ATOM 775 O VAL A 49 -9.935 -6.120 3.122 1.00 0.00 O ATOM 776 CB VAL A 49 -8.040 -7.460 0.624 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.654 -6.811 0.643 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.036 -8.737 -0.219 1.00 0.00 C ATOM 0 H VAL A 49 -10.563 -8.048 1.629 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.736 -8.293 2.546 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.733 -6.756 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.327 -6.620 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.700 -5.870 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.946 -7.480 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.682 -8.508 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.376 -9.473 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.047 -9.140 -0.273 1.00 0.00 H new ATOM 788 N LYS A 50 -7.696 -5.813 3.221 1.00 0.00 N ATOM 789 CA LYS A 50 -7.787 -4.586 3.995 1.00 0.00 C ATOM 790 C LYS A 50 -6.989 -3.486 3.293 1.00 0.00 C ATOM 791 O LYS A 50 -5.765 -3.566 3.200 1.00 0.00 O ATOM 792 CB LYS A 50 -7.356 -4.832 5.442 1.00 0.00 C ATOM 793 CG LYS A 50 -7.717 -3.641 6.332 1.00 0.00 C ATOM 794 CD LYS A 50 -9.080 -3.846 6.996 1.00 0.00 C ATOM 795 CE LYS A 50 -9.050 -3.401 8.459 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.398 -3.503 9.061 1.00 0.00 N ATOM 0 H LYS A 50 -6.745 -6.106 2.997 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.821 -4.245 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.839 -5.733 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.281 -5.006 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.952 -3.509 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.732 -2.729 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.840 -3.281 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.362 -4.897 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.348 -4.019 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.693 -2.373 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.359 -3.197 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.059 -2.895 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.725 -4.489 9.015 1.00 0.00 H new ATOM 810 N TYR A 51 -7.713 -2.483 2.818 1.00 0.00 N ATOM 811 CA TYR A 51 -7.088 -1.368 2.129 1.00 0.00 C ATOM 812 C TYR A 51 -6.696 -0.265 3.112 1.00 0.00 C ATOM 813 O TYR A 51 -7.548 0.495 3.570 1.00 0.00 O ATOM 814 CB TYR A 51 -8.143 -0.824 1.163 1.00 0.00 C ATOM 815 CG TYR A 51 -8.176 -1.537 -0.190 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.315 -2.909 -0.243 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.067 -0.809 -1.357 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.348 -3.581 -1.516 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.098 -1.481 -2.630 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.236 -2.833 -2.647 1.00 0.00 C ATOM 821 OH TYR A 51 -8.267 -3.467 -3.850 1.00 0.00 O ATOM 0 H TYR A 51 -8.728 -2.420 2.897 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.181 -1.693 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.125 -0.907 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.957 0.237 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.399 -3.479 0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.958 0.265 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.459 -4.654 -1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.013 -0.923 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.178 -2.808 -4.570 1.00 0.00 H new ATOM 831 N VAL A 52 -5.406 -0.211 3.409 1.00 0.00 N ATOM 832 CA VAL A 52 -4.891 0.787 4.331 1.00 0.00 C ATOM 833 C VAL A 52 -4.133 1.859 3.544 1.00 0.00 C ATOM 834 O VAL A 52 -2.989 1.648 3.144 1.00 0.00 O ATOM 835 CB VAL A 52 -4.033 0.115 5.403 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.955 0.978 6.665 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.557 -1.286 5.728 1.00 0.00 C ATOM 0 H VAL A 52 -4.702 -0.842 3.027 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.709 1.284 4.852 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.023 0.011 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.339 0.476 7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.513 1.943 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.958 1.129 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.928 -1.741 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.581 -1.215 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.535 -1.900 4.828 1.00 0.00 H new ATOM 847 N CYS A 53 -4.802 2.985 3.346 1.00 0.00 N ATOM 848 CA CYS A 53 -4.207 4.090 2.614 1.00 0.00 C ATOM 849 C CYS A 53 -3.565 5.044 3.624 1.00 0.00 C ATOM 850 O CYS A 53 -3.993 5.116 4.775 1.00 0.00 O ATOM 851 CB CYS A 53 -5.232 4.801 1.730 1.00 0.00 C ATOM 852 SG CYS A 53 -5.857 3.806 0.326 1.00 0.00 S ATOM 0 H CYS A 53 -5.751 3.156 3.680 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.442 3.711 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.078 5.102 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.782 5.714 1.339 1.00 0.00 H new ATOM 857 N CYS A 54 -2.548 5.753 3.156 1.00 0.00 N ATOM 858 CA CYS A 54 -1.843 6.699 4.003 1.00 0.00 C ATOM 859 C CYS A 54 -1.214 7.770 3.108 1.00 0.00 C ATOM 860 O CYS A 54 -1.161 7.612 1.889 1.00 0.00 O ATOM 861 CB CYS A 54 -0.801 6.005 4.881 1.00 0.00 C ATOM 862 SG CYS A 54 -0.245 4.373 4.268 1.00 0.00 S ATOM 0 H CYS A 54 -2.196 5.691 2.201 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.546 7.169 4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.067 6.657 4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.215 5.880 5.882 1.00 0.00 H new ATOM 867 N ASN A 55 -0.752 8.834 3.748 1.00 0.00 N ATOM 868 CA ASN A 55 -0.128 9.930 3.026 1.00 0.00 C ATOM 869 C ASN A 55 1.205 10.278 3.689 1.00 0.00 C ATOM 870 O ASN A 55 1.692 11.401 3.559 1.00 0.00 O ATOM 871 CB ASN A 55 -1.010 11.179 3.051 1.00 0.00 C ATOM 872 CG ASN A 55 -0.985 11.840 4.431 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.957 11.187 5.461 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.995 13.170 4.394 1.00 0.00 N ATOM 0 H ASN A 55 -0.797 8.961 4.759 1.00 0.00 H new ATOM 0 HA ASN A 55 0.018 9.613 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.665 11.888 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.034 10.911 2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.979 13.704 5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.019 13.655 3.497 1.00 0.00 H new ATOM 881 N THR A 56 1.760 9.296 4.384 1.00 0.00 N ATOM 882 CA THR A 56 3.027 9.486 5.068 1.00 0.00 C ATOM 883 C THR A 56 4.147 8.752 4.327 1.00 0.00 C ATOM 884 O THR A 56 3.972 7.613 3.901 1.00 0.00 O ATOM 885 CB THR A 56 2.855 9.027 6.518 1.00 0.00 C ATOM 886 OG1 THR A 56 2.150 7.794 6.411 1.00 0.00 O ATOM 887 CG2 THR A 56 1.908 9.930 7.310 1.00 0.00 C ATOM 0 H THR A 56 1.355 8.366 4.488 1.00 0.00 H new ATOM 0 HA THR A 56 3.319 10.536 5.077 1.00 0.00 H new ATOM 0 HB THR A 56 3.828 9.003 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.998 7.426 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.822 9.560 8.332 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.302 10.946 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.925 9.928 6.839 1.00 0.00 H new ATOM 895 N ASP A 57 5.274 9.437 4.197 1.00 0.00 N ATOM 896 CA ASP A 57 6.423 8.866 3.516 1.00 0.00 C ATOM 897 C ASP A 57 6.894 7.623 4.274 1.00 0.00 C ATOM 898 O ASP A 57 7.278 7.710 5.439 1.00 0.00 O ATOM 899 CB ASP A 57 7.585 9.859 3.468 1.00 0.00 C ATOM 900 CG ASP A 57 7.223 11.256 2.962 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.991 11.375 1.739 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.184 12.174 3.810 1.00 0.00 O ATOM 0 H ASP A 57 5.416 10.383 4.552 1.00 0.00 H new ATOM 0 HA ASP A 57 6.121 8.615 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.007 9.950 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.367 9.449 2.829 1.00 0.00 H new ATOM 907 N ARG A 58 6.848 6.494 3.581 1.00 0.00 N ATOM 908 CA ARG A 58 7.265 5.234 4.174 1.00 0.00 C ATOM 909 C ARG A 58 6.177 4.702 5.110 1.00 0.00 C ATOM 910 O ARG A 58 6.479 4.100 6.138 1.00 0.00 O ATOM 911 CB ARG A 58 8.568 5.401 4.960 1.00 0.00 C ATOM 912 CG ARG A 58 9.506 6.389 4.264 1.00 0.00 C ATOM 913 CD ARG A 58 10.966 6.095 4.612 1.00 0.00 C ATOM 914 NE ARG A 58 11.633 7.330 5.081 1.00 0.00 N ATOM 915 CZ ARG A 58 11.496 7.835 6.315 1.00 0.00 C ATOM 916 NH1 ARG A 58 10.718 7.213 7.211 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.139 8.961 6.654 1.00 0.00 N ATOM 0 H ARG A 58 6.528 6.426 2.615 1.00 0.00 H new ATOM 0 HA ARG A 58 7.431 4.524 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.346 5.753 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.062 4.435 5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.367 6.330 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.255 7.407 4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.017 5.328 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.485 5.701 3.738 1.00 0.00 H new ATOM 0 HE ARG A 58 12.234 7.828 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.230 6.355 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.614 7.597 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.733 9.434 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.034 9.345 7.593 1.00 0.00 H new ATOM 931 N CYS A 59 4.935 4.944 4.718 1.00 0.00 N ATOM 932 CA CYS A 59 3.801 4.497 5.509 1.00 0.00 C ATOM 933 C CYS A 59 3.635 2.990 5.301 1.00 0.00 C ATOM 934 O CYS A 59 3.285 2.266 6.231 1.00 0.00 O ATOM 935 CB CYS A 59 2.526 5.266 5.155 1.00 0.00 C ATOM 936 SG CYS A 59 1.643 4.650 3.675 1.00 0.00 S ATOM 0 H CYS A 59 4.689 5.444 3.863 1.00 0.00 H new ATOM 0 HA CYS A 59 3.987 4.699 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.848 5.228 6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.782 6.314 4.998 1.00 0.00 H new ATOM 941 N ASN A 60 3.893 2.562 4.073 1.00 0.00 N ATOM 942 CA ASN A 60 3.776 1.155 3.731 1.00 0.00 C ATOM 943 C ASN A 60 5.135 0.477 3.913 1.00 0.00 C ATOM 944 O ASN A 60 6.002 0.993 4.616 1.00 0.00 O ATOM 945 CB ASN A 60 3.350 0.977 2.272 1.00 0.00 C ATOM 946 CG ASN A 60 4.434 1.483 1.318 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.570 1.715 1.696 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.020 1.640 0.065 1.00 0.00 N ATOM 0 H ASN A 60 4.183 3.165 3.303 1.00 0.00 H new ATOM 0 HA ASN A 60 3.024 0.710 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.149 -0.076 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.421 1.518 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.668 1.974 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.054 1.427 -0.183 1.00 0.00 H new