USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 10 SER OG : rot 109:sc= 1.33 USER MOD Set 1.2: A 40 ASN : amide:sc= 1.61 K(o=2.9,f=-1.8) USER MOD Set 1.3: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl -139:sc= -0.232 (180deg=-1.06) USER MOD Single : A 0 MET N :NH3+ -178:sc= 0.936 (180deg=0.895) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.17) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= -0.0363 (180deg=-0.483) USER MOD Single : A 9 THR OG1 : rot -30:sc= 0.394 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0152 K(o=-0.015,f=-0.58) USER MOD Single : A 16 CYS SG : rot 54:sc= 0.386 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 152:sc= -0.231 (180deg=-1.39!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.478 X(o=0.48,f=0.37) USER MOD Single : A 46 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -115:sc= 0 (180deg=-0.0382) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 72 THR OG1 : rot 140:sc= 0.0855 USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -1.69 (180deg=-2.53) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 8.724 -8.170 13.552 1.00 0.00 N ATOM 2 CA MET A 0 7.775 -8.618 14.587 1.00 0.00 C ATOM 3 C MET A 0 6.846 -7.457 14.918 1.00 0.00 C ATOM 4 O MET A 0 6.877 -6.905 16.015 1.00 0.00 O ATOM 5 CB MET A 0 8.516 -9.207 15.802 1.00 0.00 C ATOM 6 CG MET A 0 8.901 -10.676 15.600 1.00 0.00 C ATOM 7 SD MET A 0 9.618 -11.112 13.991 1.00 0.00 S ATOM 8 CE MET A 0 8.148 -11.841 13.212 1.00 0.00 C ATOM 0 H1 MET A 0 9.347 -8.960 13.287 1.00 0.00 H new ATOM 0 H2 MET A 0 8.198 -7.848 12.715 1.00 0.00 H new ATOM 0 H3 MET A 0 9.298 -7.386 13.923 1.00 0.00 H new ATOM 0 HA MET A 0 7.157 -9.438 14.222 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.416 -8.622 15.993 1.00 0.00 H new ATOM 0 HB3 MET A 0 7.885 -9.119 16.686 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.614 -10.952 16.377 1.00 0.00 H new ATOM 0 HG3 MET A 0 8.011 -11.286 15.753 1.00 0.00 H new ATOM 0 HE1 MET A 0 8.436 -12.732 12.654 1.00 0.00 H new ATOM 0 HE2 MET A 0 7.425 -12.113 13.982 1.00 0.00 H new ATOM 0 HE3 MET A 0 7.699 -11.116 12.533 1.00 0.00 H new ATOM 20 N SER A 1 6.040 -7.078 13.929 1.00 0.00 N ATOM 21 CA SER A 1 5.161 -5.918 13.929 1.00 0.00 C ATOM 22 C SER A 1 3.888 -6.186 13.107 1.00 0.00 C ATOM 23 O SER A 1 3.061 -5.289 12.966 1.00 0.00 O ATOM 24 CB SER A 1 5.921 -4.724 13.333 1.00 0.00 C ATOM 25 OG SER A 1 7.195 -4.549 13.927 1.00 0.00 O ATOM 0 H SER A 1 5.982 -7.605 13.057 1.00 0.00 H new ATOM 0 HA SER A 1 4.859 -5.703 14.954 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.040 -4.871 12.259 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.332 -3.817 13.468 1.00 0.00 H new ATOM 0 HG SER A 1 7.644 -3.780 13.517 1.00 0.00 H new ATOM 31 N LYS A 2 3.720 -7.401 12.561 1.00 0.00 N ATOM 32 CA LYS A 2 2.763 -7.796 11.522 1.00 0.00 C ATOM 33 C LYS A 2 3.063 -7.120 10.183 1.00 0.00 C ATOM 34 O LYS A 2 3.867 -6.187 10.117 1.00 0.00 O ATOM 35 CB LYS A 2 1.315 -7.697 12.033 1.00 0.00 C ATOM 36 CG LYS A 2 0.495 -6.493 11.546 1.00 0.00 C ATOM 37 CD LYS A 2 -0.742 -6.287 12.441 1.00 0.00 C ATOM 38 CE LYS A 2 -0.587 -5.149 13.462 1.00 0.00 C ATOM 39 NZ LYS A 2 0.601 -5.289 14.329 1.00 0.00 N ATOM 0 H LYS A 2 4.294 -8.190 12.859 1.00 0.00 H new ATOM 0 HA LYS A 2 2.889 -8.855 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.789 -8.607 11.744 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.339 -7.675 13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.113 -5.595 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.182 -6.652 10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.606 -6.080 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.952 -7.214 12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.528 -4.200 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.479 -5.109 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.580 -4.557 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.598 -6.229 14.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.463 -5.179 13.757 1.00 0.00 H new ATOM 53 N VAL A 3 2.511 -7.646 9.095 1.00 0.00 N ATOM 54 CA VAL A 3 2.774 -7.147 7.749 1.00 0.00 C ATOM 55 C VAL A 3 2.032 -5.805 7.607 1.00 0.00 C ATOM 56 O VAL A 3 0.803 -5.776 7.502 1.00 0.00 O ATOM 57 CB VAL A 3 2.384 -8.221 6.702 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.896 -7.870 5.302 1.00 0.00 C ATOM 59 CG2 VAL A 3 2.991 -9.602 7.030 1.00 0.00 C ATOM 0 H VAL A 3 1.865 -8.435 9.122 1.00 0.00 H new ATOM 0 HA VAL A 3 3.832 -6.958 7.570 1.00 0.00 H new ATOM 0 HB VAL A 3 1.295 -8.252 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.600 -8.650 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.470 -6.917 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.983 -7.793 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.690 -10.322 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.078 -9.526 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.634 -9.934 8.005 1.00 0.00 H new ATOM 69 N LYS A 4 2.763 -4.685 7.684 1.00 0.00 N ATOM 70 CA LYS A 4 2.206 -3.341 7.565 1.00 0.00 C ATOM 71 C LYS A 4 2.110 -2.940 6.103 1.00 0.00 C ATOM 72 O LYS A 4 3.106 -2.941 5.377 1.00 0.00 O ATOM 73 CB LYS A 4 3.058 -2.329 8.343 1.00 0.00 C ATOM 74 CG LYS A 4 2.617 -2.232 9.812 1.00 0.00 C ATOM 75 CD LYS A 4 3.755 -2.495 10.803 1.00 0.00 C ATOM 76 CE LYS A 4 3.325 -2.265 12.262 1.00 0.00 C ATOM 77 NZ LYS A 4 2.722 -0.937 12.492 1.00 0.00 N ATOM 0 H LYS A 4 3.772 -4.693 7.833 1.00 0.00 H new ATOM 0 HA LYS A 4 1.204 -3.344 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.107 -2.622 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.980 -1.349 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.206 -1.240 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.815 -2.948 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.104 -3.521 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.596 -1.843 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.609 -3.036 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.193 -2.379 12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.054 -0.558 13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.001 -0.292 11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.686 -1.025 12.510 1.00 0.00 H new ATOM 91 N ILE A 5 0.905 -2.586 5.682 1.00 0.00 N ATOM 92 CA ILE A 5 0.595 -2.010 4.394 1.00 0.00 C ATOM 93 C ILE A 5 0.094 -0.600 4.704 1.00 0.00 C ATOM 94 O ILE A 5 -0.676 -0.389 5.646 1.00 0.00 O ATOM 95 CB ILE A 5 -0.447 -2.884 3.662 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.162 -4.160 3.044 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.167 -2.117 2.535 1.00 0.00 C ATOM 98 CD1 ILE A 5 0.618 -5.206 4.066 1.00 0.00 C ATOM 0 H ILE A 5 0.077 -2.702 6.266 1.00 0.00 H new ATOM 0 HA ILE A 5 1.451 -1.964 3.720 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.159 -3.163 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.575 -4.615 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.015 -3.878 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.889 -2.775 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.686 -1.255 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.436 -1.778 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.032 -6.068 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.380 -4.773 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.234 -5.522 4.668 1.00 0.00 H new ATOM 110 N GLU A 6 0.466 0.368 3.873 1.00 0.00 N ATOM 111 CA GLU A 6 -0.130 1.697 3.933 1.00 0.00 C ATOM 112 C GLU A 6 -0.450 2.124 2.508 1.00 0.00 C ATOM 113 O GLU A 6 0.261 1.760 1.566 1.00 0.00 O ATOM 114 CB GLU A 6 0.760 2.728 4.648 1.00 0.00 C ATOM 115 CG GLU A 6 1.282 2.284 6.027 1.00 0.00 C ATOM 116 CD GLU A 6 2.022 3.396 6.778 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.660 4.588 6.662 1.00 0.00 O ATOM 118 OE2 GLU A 6 2.970 3.089 7.540 1.00 0.00 O ATOM 0 H GLU A 6 1.177 0.257 3.150 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.039 1.651 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.613 2.957 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.196 3.653 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.443 1.941 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.951 1.433 5.898 1.00 0.00 H new ATOM 125 N LEU A 7 -1.526 2.888 2.357 1.00 0.00 N ATOM 126 CA LEU A 7 -2.096 3.298 1.093 1.00 0.00 C ATOM 127 C LEU A 7 -2.269 4.809 1.153 1.00 0.00 C ATOM 128 O LEU A 7 -3.313 5.300 1.582 1.00 0.00 O ATOM 129 CB LEU A 7 -3.427 2.560 0.850 1.00 0.00 C ATOM 130 CG LEU A 7 -3.806 2.434 -0.634 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.606 3.723 -1.445 1.00 0.00 C ATOM 132 CD2 LEU A 7 -3.076 1.228 -1.244 1.00 0.00 C ATOM 0 H LEU A 7 -2.045 3.252 3.156 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.449 3.042 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.363 1.562 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.224 3.086 1.375 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.881 2.262 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.896 3.550 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.222 4.517 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.557 4.018 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.343 1.136 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.999 1.371 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.367 0.321 -0.715 1.00 0.00 H new ATOM 144 N PHE A 8 -1.228 5.533 0.760 1.00 0.00 N ATOM 145 CA PHE A 8 -1.150 6.975 0.834 1.00 0.00 C ATOM 146 C PHE A 8 -1.309 7.526 -0.581 1.00 0.00 C ATOM 147 O PHE A 8 -0.348 7.681 -1.335 1.00 0.00 O ATOM 148 CB PHE A 8 0.168 7.365 1.527 1.00 0.00 C ATOM 149 CG PHE A 8 0.213 8.798 2.009 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.427 9.861 1.113 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.046 9.062 3.378 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.342 11.185 1.576 1.00 0.00 C ATOM 153 CE2 PHE A 8 -0.044 10.383 3.835 1.00 0.00 C ATOM 154 CZ PHE A 8 0.063 11.446 2.926 1.00 0.00 C ATOM 0 H PHE A 8 -0.387 5.110 0.367 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.947 7.412 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.329 6.702 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.993 7.200 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.655 9.661 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.013 8.244 4.081 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.492 12.005 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.196 10.583 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.069 12.463 3.265 1.00 0.00 H new ATOM 164 N THR A 9 -2.530 7.876 -0.966 1.00 0.00 N ATOM 165 CA THR A 9 -2.940 8.397 -2.272 1.00 0.00 C ATOM 166 C THR A 9 -4.439 8.685 -2.148 1.00 0.00 C ATOM 167 O THR A 9 -5.119 8.126 -1.293 1.00 0.00 O ATOM 168 CB THR A 9 -2.750 7.366 -3.426 1.00 0.00 C ATOM 169 OG1 THR A 9 -1.585 6.593 -3.312 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.778 8.025 -4.811 1.00 0.00 C ATOM 0 H THR A 9 -3.322 7.799 -0.328 1.00 0.00 H new ATOM 0 HA THR A 9 -2.333 9.269 -2.517 1.00 0.00 H new ATOM 0 HB THR A 9 -3.605 6.697 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.889 7.115 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.641 7.264 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.737 8.521 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.975 8.759 -4.881 1.00 0.00 H new ATOM 178 N SER A 10 -4.973 9.571 -2.977 1.00 0.00 N ATOM 179 CA SER A 10 -6.388 9.667 -3.271 1.00 0.00 C ATOM 180 C SER A 10 -6.460 9.648 -4.803 1.00 0.00 C ATOM 181 O SER A 10 -6.374 10.709 -5.433 1.00 0.00 O ATOM 182 CB SER A 10 -6.967 10.898 -2.564 1.00 0.00 C ATOM 183 OG SER A 10 -8.316 11.132 -2.894 1.00 0.00 O ATOM 0 H SER A 10 -4.413 10.262 -3.476 1.00 0.00 H new ATOM 0 HA SER A 10 -7.008 8.853 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.879 10.767 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.376 11.775 -2.828 1.00 0.00 H new ATOM 0 HG SER A 10 -8.882 10.926 -2.121 1.00 0.00 H new ATOM 189 N PRO A 11 -6.487 8.451 -5.426 1.00 0.00 N ATOM 190 CA PRO A 11 -6.598 8.335 -6.872 1.00 0.00 C ATOM 191 C PRO A 11 -8.000 8.806 -7.265 1.00 0.00 C ATOM 192 O PRO A 11 -8.978 8.519 -6.568 1.00 0.00 O ATOM 193 CB PRO A 11 -6.343 6.859 -7.183 1.00 0.00 C ATOM 194 CG PRO A 11 -6.854 6.140 -5.935 1.00 0.00 C ATOM 195 CD PRO A 11 -6.544 7.128 -4.808 1.00 0.00 C ATOM 0 HA PRO A 11 -5.889 8.943 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.877 6.539 -8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.285 6.662 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.921 5.928 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.348 5.186 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.314 7.092 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.598 6.883 -4.326 1.00 0.00 H new ATOM 203 N MET A 12 -8.098 9.575 -8.344 1.00 0.00 N ATOM 204 CA MET A 12 -9.281 10.370 -8.648 1.00 0.00 C ATOM 205 C MET A 12 -9.685 10.234 -10.113 1.00 0.00 C ATOM 206 O MET A 12 -10.884 10.268 -10.402 1.00 0.00 O ATOM 207 CB MET A 12 -9.010 11.817 -8.202 1.00 0.00 C ATOM 208 CG MET A 12 -10.113 12.814 -8.567 1.00 0.00 C ATOM 209 SD MET A 12 -10.023 13.438 -10.269 1.00 0.00 S ATOM 210 CE MET A 12 -11.333 14.677 -10.191 1.00 0.00 C ATOM 0 H MET A 12 -7.354 9.664 -9.036 1.00 0.00 H new ATOM 0 HA MET A 12 -10.146 10.004 -8.096 1.00 0.00 H new ATOM 0 HB2 MET A 12 -8.870 11.830 -7.121 1.00 0.00 H new ATOM 0 HB3 MET A 12 -8.074 12.152 -8.649 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.082 12.337 -8.418 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.065 13.659 -7.880 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.425 15.171 -11.158 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.277 14.193 -9.939 1.00 0.00 H new ATOM 0 HE3 MET A 12 -11.089 15.416 -9.428 1.00 0.00 H new ATOM 220 N CYS A 13 -8.741 10.025 -11.033 1.00 0.00 N ATOM 221 CA CYS A 13 -9.056 9.620 -12.392 1.00 0.00 C ATOM 222 C CYS A 13 -9.399 8.120 -12.388 1.00 0.00 C ATOM 223 O CYS A 13 -10.593 7.821 -12.406 1.00 0.00 O ATOM 224 CB CYS A 13 -7.967 10.078 -13.364 1.00 0.00 C ATOM 225 SG CYS A 13 -8.057 11.879 -13.561 1.00 0.00 S ATOM 0 H CYS A 13 -7.743 10.133 -10.852 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.946 10.120 -12.774 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.985 9.790 -12.989 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.096 9.588 -14.329 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.131 12.272 -14.385 1.00 0.00 H new ATOM 231 N PRO A 14 -8.466 7.147 -12.355 1.00 0.00 N ATOM 232 CA PRO A 14 -8.838 5.746 -12.189 1.00 0.00 C ATOM 233 C PRO A 14 -9.246 5.500 -10.733 1.00 0.00 C ATOM 234 O PRO A 14 -8.398 5.534 -9.838 1.00 0.00 O ATOM 235 CB PRO A 14 -7.602 4.942 -12.594 1.00 0.00 C ATOM 236 CG PRO A 14 -6.443 5.868 -12.223 1.00 0.00 C ATOM 237 CD PRO A 14 -7.016 7.268 -12.451 1.00 0.00 C ATOM 0 HA PRO A 14 -9.691 5.453 -12.801 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.546 3.994 -12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.605 4.708 -13.659 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.131 5.726 -11.188 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.568 5.686 -12.847 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.636 7.968 -11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.723 7.652 -13.428 1.00 0.00 H new ATOM 245 N HIS A 15 -10.529 5.235 -10.469 1.00 0.00 N ATOM 246 CA HIS A 15 -11.002 4.834 -9.142 1.00 0.00 C ATOM 247 C HIS A 15 -10.564 3.400 -8.856 1.00 0.00 C ATOM 248 O HIS A 15 -11.364 2.462 -8.894 1.00 0.00 O ATOM 249 CB HIS A 15 -12.517 5.039 -9.006 1.00 0.00 C ATOM 250 CG HIS A 15 -12.839 6.497 -8.811 1.00 0.00 C ATOM 251 ND1 HIS A 15 -13.123 7.100 -7.599 1.00 0.00 N ATOM 252 CD2 HIS A 15 -12.711 7.477 -9.757 1.00 0.00 C ATOM 253 CE1 HIS A 15 -13.167 8.426 -7.813 1.00 0.00 C ATOM 254 NE2 HIS A 15 -12.919 8.677 -9.111 1.00 0.00 N ATOM 0 H HIS A 15 -11.268 5.293 -11.169 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.549 5.474 -8.385 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.021 4.666 -9.897 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.893 4.462 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.490 7.338 -10.805 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.370 9.173 -7.060 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.890 9.600 -9.544 1.00 0.00 H new ATOM 263 N CYS A 16 -9.269 3.226 -8.608 1.00 0.00 N ATOM 264 CA CYS A 16 -8.652 1.950 -8.307 1.00 0.00 C ATOM 265 C CYS A 16 -9.239 1.403 -6.998 1.00 0.00 C ATOM 266 O CYS A 16 -9.583 2.198 -6.120 1.00 0.00 O ATOM 267 CB CYS A 16 -7.134 2.150 -8.154 1.00 0.00 C ATOM 268 SG CYS A 16 -6.401 2.912 -9.635 1.00 0.00 S ATOM 0 H CYS A 16 -8.603 3.999 -8.613 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.845 1.242 -9.113 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.936 2.778 -7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.658 1.188 -7.966 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.032 4.014 -9.913 1.00 0.00 H new ATOM 274 N PRO A 17 -9.260 0.075 -6.794 1.00 0.00 N ATOM 275 CA PRO A 17 -9.589 -0.527 -5.506 1.00 0.00 C ATOM 276 C PRO A 17 -8.590 -0.141 -4.414 1.00 0.00 C ATOM 277 O PRO A 17 -8.938 -0.191 -3.236 1.00 0.00 O ATOM 278 CB PRO A 17 -9.617 -2.040 -5.758 1.00 0.00 C ATOM 279 CG PRO A 17 -8.688 -2.215 -6.958 1.00 0.00 C ATOM 280 CD PRO A 17 -8.976 -0.960 -7.770 1.00 0.00 C ATOM 0 HA PRO A 17 -10.549 -0.168 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -9.264 -2.599 -4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.625 -2.393 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.642 -2.275 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.912 -3.123 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.122 -0.690 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.823 -1.111 -8.440 1.00 0.00 H new ATOM 288 N ALA A 18 -7.374 0.276 -4.788 1.00 0.00 N ATOM 289 CA ALA A 18 -6.340 0.767 -3.892 1.00 0.00 C ATOM 290 C ALA A 18 -6.194 -0.173 -2.687 1.00 0.00 C ATOM 291 O ALA A 18 -5.891 -1.355 -2.878 1.00 0.00 O ATOM 292 CB ALA A 18 -6.643 2.238 -3.553 1.00 0.00 C ATOM 0 H ALA A 18 -7.080 0.277 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.357 0.761 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.876 2.622 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.651 2.828 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.617 2.307 -3.069 1.00 0.00 H new ATOM 298 N ALA A 19 -6.435 0.310 -1.461 1.00 0.00 N ATOM 299 CA ALA A 19 -6.263 -0.493 -0.260 1.00 0.00 C ATOM 300 C ALA A 19 -7.123 -1.748 -0.286 1.00 0.00 C ATOM 301 O ALA A 19 -6.703 -2.734 0.296 1.00 0.00 O ATOM 302 CB ALA A 19 -6.594 0.308 0.996 1.00 0.00 C ATOM 0 H ALA A 19 -6.752 1.263 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.214 -0.787 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.455 -0.321 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.934 1.173 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.630 0.645 0.950 1.00 0.00 H new ATOM 308 N LYS A 20 -8.274 -1.754 -0.966 1.00 0.00 N ATOM 309 CA LYS A 20 -9.108 -2.945 -1.067 1.00 0.00 C ATOM 310 C LYS A 20 -8.354 -4.065 -1.782 1.00 0.00 C ATOM 311 O LYS A 20 -8.380 -5.197 -1.306 1.00 0.00 O ATOM 312 CB LYS A 20 -10.457 -2.633 -1.731 1.00 0.00 C ATOM 313 CG LYS A 20 -11.245 -1.568 -0.942 1.00 0.00 C ATOM 314 CD LYS A 20 -12.650 -1.303 -1.497 1.00 0.00 C ATOM 315 CE LYS A 20 -13.491 -2.578 -1.423 1.00 0.00 C ATOM 316 NZ LYS A 20 -14.928 -2.349 -1.653 1.00 0.00 N ATOM 0 H LYS A 20 -8.647 -0.940 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.335 -3.293 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.289 -2.282 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.048 -3.546 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.329 -1.887 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.681 -0.635 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.131 -0.507 -0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.583 -0.961 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.122 -3.290 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.357 -3.036 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.438 -3.253 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.294 -1.693 -0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.067 -1.939 -2.599 1.00 0.00 H new ATOM 330 N ARG A 21 -7.649 -3.781 -2.890 1.00 0.00 N ATOM 331 CA ARG A 21 -6.805 -4.819 -3.483 1.00 0.00 C ATOM 332 C ARG A 21 -5.678 -5.152 -2.537 1.00 0.00 C ATOM 333 O ARG A 21 -5.456 -6.333 -2.307 1.00 0.00 O ATOM 334 CB ARG A 21 -6.193 -4.467 -4.851 1.00 0.00 C ATOM 335 CG ARG A 21 -6.894 -5.223 -5.987 1.00 0.00 C ATOM 336 CD ARG A 21 -6.017 -5.292 -7.245 1.00 0.00 C ATOM 337 NE ARG A 21 -5.054 -6.409 -7.169 1.00 0.00 N ATOM 338 CZ ARG A 21 -4.163 -6.738 -8.111 1.00 0.00 C ATOM 339 NH1 ARG A 21 -3.885 -5.896 -9.103 1.00 0.00 N ATOM 340 NH2 ARG A 21 -3.544 -7.911 -8.039 1.00 0.00 N ATOM 0 H ARG A 21 -7.646 -2.882 -3.372 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.473 -5.663 -3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.273 -3.394 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.131 -4.711 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.138 -6.233 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.836 -4.730 -6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.649 -5.413 -8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.478 -4.352 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.070 -6.980 -6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.353 -4.991 -9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.204 -6.156 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.750 -8.550 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.863 -8.173 -8.752 1.00 0.00 H new ATOM 354 N VAL A 22 -4.930 -4.148 -2.070 1.00 0.00 N ATOM 355 CA VAL A 22 -3.700 -4.444 -1.348 1.00 0.00 C ATOM 356 C VAL A 22 -4.030 -5.275 -0.089 1.00 0.00 C ATOM 357 O VAL A 22 -3.343 -6.269 0.139 1.00 0.00 O ATOM 358 CB VAL A 22 -2.838 -3.173 -1.130 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.433 -3.554 -0.637 1.00 0.00 C ATOM 360 CG2 VAL A 22 -2.604 -2.369 -2.429 1.00 0.00 C ATOM 0 H VAL A 22 -5.148 -3.157 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.045 -5.076 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.395 -2.575 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.842 -2.650 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.512 -4.094 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.947 -4.188 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.995 -1.492 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.089 -2.996 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.563 -2.051 -2.838 1.00 0.00 H new ATOM 370 N VAL A 23 -5.105 -4.959 0.656 1.00 0.00 N ATOM 371 CA VAL A 23 -5.563 -5.761 1.788 1.00 0.00 C ATOM 372 C VAL A 23 -5.972 -7.152 1.323 1.00 0.00 C ATOM 373 O VAL A 23 -5.477 -8.106 1.908 1.00 0.00 O ATOM 374 CB VAL A 23 -6.662 -5.075 2.639 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.067 -5.057 2.038 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.769 -5.746 4.021 1.00 0.00 C ATOM 0 H VAL A 23 -5.679 -4.134 0.482 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.715 -5.861 2.466 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.327 -4.039 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.749 -4.552 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.049 -4.526 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.407 -6.080 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.545 -5.252 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.023 -6.799 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.815 -5.663 4.541 1.00 0.00 H new ATOM 386 N GLU A 24 -6.824 -7.308 0.298 1.00 0.00 N ATOM 387 CA GLU A 24 -7.291 -8.646 -0.065 1.00 0.00 C ATOM 388 C GLU A 24 -6.101 -9.531 -0.456 1.00 0.00 C ATOM 389 O GLU A 24 -6.029 -10.711 -0.093 1.00 0.00 O ATOM 390 CB GLU A 24 -8.313 -8.575 -1.218 1.00 0.00 C ATOM 391 CG GLU A 24 -9.667 -9.191 -0.854 1.00 0.00 C ATOM 392 CD GLU A 24 -10.551 -8.268 -0.004 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.142 -7.829 1.090 1.00 0.00 O ATOM 394 OE2 GLU A 24 -11.712 -8.015 -0.413 1.00 0.00 O ATOM 0 H GLU A 24 -7.191 -6.549 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.787 -9.086 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.459 -7.533 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.907 -9.091 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.199 -9.447 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.500 -10.122 -0.312 1.00 0.00 H new ATOM 401 N GLU A 25 -5.171 -8.948 -1.212 1.00 0.00 N ATOM 402 CA GLU A 25 -4.003 -9.614 -1.742 1.00 0.00 C ATOM 403 C GLU A 25 -3.120 -10.116 -0.596 1.00 0.00 C ATOM 404 O GLU A 25 -2.760 -11.296 -0.591 1.00 0.00 O ATOM 405 CB GLU A 25 -3.263 -8.658 -2.699 1.00 0.00 C ATOM 406 CG GLU A 25 -2.288 -9.411 -3.610 1.00 0.00 C ATOM 407 CD GLU A 25 -3.041 -10.150 -4.718 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.274 -9.540 -5.788 1.00 0.00 O ATOM 409 OE2 GLU A 25 -3.377 -11.343 -4.525 1.00 0.00 O ATOM 0 H GLU A 25 -5.221 -7.964 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.293 -10.492 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.989 -8.120 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.718 -7.913 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.580 -8.710 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.708 -10.122 -3.021 1.00 0.00 H new ATOM 416 N VAL A 26 -2.783 -9.264 0.380 1.00 0.00 N ATOM 417 CA VAL A 26 -1.937 -9.696 1.493 1.00 0.00 C ATOM 418 C VAL A 26 -2.717 -10.522 2.512 1.00 0.00 C ATOM 419 O VAL A 26 -2.126 -11.402 3.122 1.00 0.00 O ATOM 420 CB VAL A 26 -1.194 -8.526 2.162 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.369 -7.759 1.126 1.00 0.00 C ATOM 422 CG2 VAL A 26 -2.122 -7.593 2.938 1.00 0.00 C ATOM 0 H VAL A 26 -3.078 -8.289 0.420 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.173 -10.344 1.063 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.519 -8.957 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.151 -6.934 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.360 -8.430 0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.030 -7.365 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.538 -6.789 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.862 -7.169 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.629 -8.154 3.723 1.00 0.00 H new ATOM 432 N ALA A 27 -4.023 -10.309 2.694 1.00 0.00 N ATOM 433 CA ALA A 27 -4.836 -11.131 3.581 1.00 0.00 C ATOM 434 C ALA A 27 -4.993 -12.539 3.015 1.00 0.00 C ATOM 435 O ALA A 27 -5.282 -13.464 3.770 1.00 0.00 O ATOM 436 CB ALA A 27 -6.225 -10.525 3.784 1.00 0.00 C ATOM 0 H ALA A 27 -4.541 -9.563 2.230 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.322 -11.174 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.806 -11.162 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.128 -9.532 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.732 -10.448 2.822 1.00 0.00 H new ATOM 442 N ASN A 28 -4.838 -12.727 1.700 1.00 0.00 N ATOM 443 CA ASN A 28 -4.732 -14.073 1.135 1.00 0.00 C ATOM 444 C ASN A 28 -3.544 -14.818 1.745 1.00 0.00 C ATOM 445 O ASN A 28 -3.639 -15.999 2.079 1.00 0.00 O ATOM 446 CB ASN A 28 -4.556 -14.047 -0.390 1.00 0.00 C ATOM 447 CG ASN A 28 -5.217 -15.277 -0.985 1.00 0.00 C ATOM 448 OD1 ASN A 28 -4.587 -16.299 -1.249 1.00 0.00 O ATOM 449 ND2 ASN A 28 -6.523 -15.222 -1.155 1.00 0.00 N ATOM 0 H ASN A 28 -4.784 -11.973 1.015 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.665 -14.585 1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.001 -13.143 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.497 -14.028 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.026 -16.035 -1.510 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.031 -14.366 -0.931 1.00 0.00 H new ATOM 456 N GLU A 29 -2.415 -14.124 1.852 1.00 0.00 N ATOM 457 CA GLU A 29 -1.155 -14.593 2.406 1.00 0.00 C ATOM 458 C GLU A 29 -1.268 -14.753 3.926 1.00 0.00 C ATOM 459 O GLU A 29 -0.997 -15.830 4.460 1.00 0.00 O ATOM 460 CB GLU A 29 -0.061 -13.576 2.010 1.00 0.00 C ATOM 461 CG GLU A 29 0.844 -14.090 0.885 1.00 0.00 C ATOM 462 CD GLU A 29 2.074 -14.811 1.444 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.931 -15.589 2.420 1.00 0.00 O ATOM 464 OE2 GLU A 29 3.204 -14.621 0.941 1.00 0.00 O ATOM 0 H GLU A 29 -2.355 -13.157 1.533 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.895 -15.574 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.533 -12.645 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.548 -13.345 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.281 -14.770 0.245 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.162 -13.255 0.261 1.00 0.00 H new ATOM 471 N MET A 30 -1.671 -13.681 4.610 1.00 0.00 N ATOM 472 CA MET A 30 -1.616 -13.479 6.050 1.00 0.00 C ATOM 473 C MET A 30 -2.954 -12.911 6.532 1.00 0.00 C ATOM 474 O MET A 30 -3.117 -11.693 6.637 1.00 0.00 O ATOM 475 CB MET A 30 -0.437 -12.564 6.395 1.00 0.00 C ATOM 476 CG MET A 30 0.873 -13.355 6.359 1.00 0.00 C ATOM 477 SD MET A 30 1.341 -14.224 7.887 1.00 0.00 S ATOM 478 CE MET A 30 0.646 -15.873 7.587 1.00 0.00 C ATOM 0 H MET A 30 -2.073 -12.875 4.132 1.00 0.00 H new ATOM 0 HA MET A 30 -1.454 -14.427 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.390 -11.736 5.687 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.581 -12.130 7.384 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.806 -14.089 5.556 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.678 -12.669 6.097 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.229 -16.618 8.129 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.388 -15.900 7.931 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.679 -16.093 6.520 1.00 0.00 H new ATOM 488 N PRO A 31 -3.939 -13.777 6.807 1.00 0.00 N ATOM 489 CA PRO A 31 -5.311 -13.399 7.119 1.00 0.00 C ATOM 490 C PRO A 31 -5.460 -12.950 8.585 1.00 0.00 C ATOM 491 O PRO A 31 -6.462 -13.274 9.227 1.00 0.00 O ATOM 492 CB PRO A 31 -6.118 -14.661 6.785 1.00 0.00 C ATOM 493 CG PRO A 31 -5.166 -15.783 7.197 1.00 0.00 C ATOM 494 CD PRO A 31 -3.805 -15.225 6.774 1.00 0.00 C ATOM 0 HA PRO A 31 -5.659 -12.536 6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.056 -14.701 7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.371 -14.712 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.210 -15.981 8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.397 -16.720 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.018 -15.560 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.535 -15.569 5.776 1.00 0.00 H new ATOM 502 N ASP A 32 -4.487 -12.215 9.135 1.00 0.00 N ATOM 503 CA ASP A 32 -4.423 -11.873 10.557 1.00 0.00 C ATOM 504 C ASP A 32 -3.215 -10.990 10.845 1.00 0.00 C ATOM 505 O ASP A 32 -3.378 -9.934 11.454 1.00 0.00 O ATOM 506 CB ASP A 32 -4.306 -13.127 11.445 1.00 0.00 C ATOM 507 CG ASP A 32 -4.255 -12.739 12.921 1.00 0.00 C ATOM 508 OD1 ASP A 32 -5.269 -12.221 13.445 1.00 0.00 O ATOM 509 OD2 ASP A 32 -3.212 -12.938 13.583 1.00 0.00 O ATOM 0 H ASP A 32 -3.710 -11.836 8.594 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.350 -11.348 10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.155 -13.786 11.266 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.408 -13.685 11.179 1.00 0.00 H new ATOM 514 N ALA A 33 -2.017 -11.369 10.386 1.00 0.00 N ATOM 515 CA ALA A 33 -0.812 -10.556 10.520 1.00 0.00 C ATOM 516 C ALA A 33 -0.797 -9.423 9.487 1.00 0.00 C ATOM 517 O ALA A 33 0.211 -9.232 8.809 1.00 0.00 O ATOM 518 CB ALA A 33 0.455 -11.420 10.389 1.00 0.00 C ATOM 0 H ALA A 33 -1.860 -12.256 9.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.821 -10.112 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.338 -10.789 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.459 -12.181 11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.467 -11.903 9.412 1.00 0.00 H new ATOM 524 N VAL A 34 -1.888 -8.680 9.341 1.00 0.00 N ATOM 525 CA VAL A 34 -2.051 -7.653 8.327 1.00 0.00 C ATOM 526 C VAL A 34 -2.500 -6.376 9.036 1.00 0.00 C ATOM 527 O VAL A 34 -3.371 -6.414 9.905 1.00 0.00 O ATOM 528 CB VAL A 34 -3.002 -8.168 7.219 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.357 -8.681 7.717 1.00 0.00 C ATOM 530 CG2 VAL A 34 -3.271 -7.075 6.173 1.00 0.00 C ATOM 0 H VAL A 34 -2.705 -8.781 9.943 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.123 -7.415 7.806 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.469 -9.016 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.952 -9.020 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.201 -9.512 8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.884 -7.877 8.232 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.942 -7.463 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.732 -6.214 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.330 -6.772 5.713 1.00 0.00 H new ATOM 540 N GLU A 35 -1.893 -5.245 8.693 1.00 0.00 N ATOM 541 CA GLU A 35 -2.300 -3.910 9.117 1.00 0.00 C ATOM 542 C GLU A 35 -2.404 -3.092 7.838 1.00 0.00 C ATOM 543 O GLU A 35 -1.493 -3.153 7.012 1.00 0.00 O ATOM 544 CB GLU A 35 -1.240 -3.353 10.077 1.00 0.00 C ATOM 545 CG GLU A 35 -1.476 -1.912 10.555 1.00 0.00 C ATOM 546 CD GLU A 35 -0.338 -1.432 11.470 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.147 -2.191 12.338 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.115 -0.268 11.372 1.00 0.00 O ATOM 0 H GLU A 35 -1.072 -5.233 8.088 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.251 -3.894 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.187 -4.003 10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.268 -3.400 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.556 -1.250 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.424 -1.855 11.090 1.00 0.00 H new ATOM 555 N VAL A 36 -3.504 -2.362 7.656 1.00 0.00 N ATOM 556 CA VAL A 36 -3.745 -1.543 6.476 1.00 0.00 C ATOM 557 C VAL A 36 -4.145 -0.142 6.912 1.00 0.00 C ATOM 558 O VAL A 36 -5.230 0.066 7.470 1.00 0.00 O ATOM 559 CB VAL A 36 -4.759 -2.200 5.516 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.047 -3.305 4.733 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.023 -2.776 6.176 1.00 0.00 C ATOM 0 H VAL A 36 -4.263 -2.325 8.337 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.825 -1.461 5.897 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.118 -1.398 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.752 -3.779 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.223 -2.875 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.658 -4.050 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.666 -3.213 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.740 -3.545 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.560 -1.979 6.690 1.00 0.00 H new ATOM 571 N GLU A 37 -3.269 0.831 6.675 1.00 0.00 N ATOM 572 CA GLU A 37 -3.659 2.221 6.763 1.00 0.00 C ATOM 573 C GLU A 37 -4.135 2.629 5.379 1.00 0.00 C ATOM 574 O GLU A 37 -3.326 2.801 4.472 1.00 0.00 O ATOM 575 CB GLU A 37 -2.536 3.081 7.344 1.00 0.00 C ATOM 576 CG GLU A 37 -2.370 2.816 8.848 1.00 0.00 C ATOM 577 CD GLU A 37 -3.519 3.417 9.672 1.00 0.00 C ATOM 578 OE1 GLU A 37 -4.637 2.843 9.725 1.00 0.00 O ATOM 579 OE2 GLU A 37 -3.307 4.492 10.281 1.00 0.00 O ATOM 0 H GLU A 37 -2.293 0.677 6.423 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.478 2.375 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.601 2.865 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.756 4.136 7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.323 1.741 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.423 3.236 9.187 1.00 0.00 H new ATOM 586 N TYR A 38 -5.452 2.708 5.183 1.00 0.00 N ATOM 587 CA TYR A 38 -6.028 3.319 3.994 1.00 0.00 C ATOM 588 C TYR A 38 -6.133 4.807 4.306 1.00 0.00 C ATOM 589 O TYR A 38 -7.074 5.217 4.989 1.00 0.00 O ATOM 590 CB TYR A 38 -7.389 2.691 3.657 1.00 0.00 C ATOM 591 CG TYR A 38 -7.996 3.028 2.297 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.368 3.874 1.352 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.199 2.388 1.947 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.931 4.054 0.074 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.755 2.553 0.669 1.00 0.00 C ATOM 596 CZ TYR A 38 -9.125 3.386 -0.276 1.00 0.00 C ATOM 597 OH TYR A 38 -9.661 3.528 -1.520 1.00 0.00 O ATOM 0 H TYR A 38 -6.143 2.351 5.843 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.412 3.156 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.286 1.608 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.099 2.991 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.452 4.384 1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.701 1.762 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.448 4.705 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.669 2.040 0.409 1.00 0.00 H new ATOM 0 HH TYR A 38 -10.482 2.996 -1.585 1.00 0.00 H new ATOM 607 N ILE A 39 -5.157 5.607 3.879 1.00 0.00 N ATOM 608 CA ILE A 39 -5.134 7.042 4.136 1.00 0.00 C ATOM 609 C ILE A 39 -5.325 7.762 2.802 1.00 0.00 C ATOM 610 O ILE A 39 -4.377 8.113 2.100 1.00 0.00 O ATOM 611 CB ILE A 39 -3.960 7.492 5.039 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.516 7.217 4.566 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.170 6.946 6.465 1.00 0.00 C ATOM 614 CD1 ILE A 39 -1.976 5.785 4.669 1.00 0.00 C ATOM 0 H ILE A 39 -4.356 5.274 3.342 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.970 7.343 4.767 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.013 8.580 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.444 7.525 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.850 7.865 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.344 7.263 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.106 7.332 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.209 5.857 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.951 5.755 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.995 5.463 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.597 5.118 4.072 1.00 0.00 H new ATOM 626 N ASN A 40 -6.602 7.923 2.433 1.00 0.00 N ATOM 627 CA ASN A 40 -7.019 8.724 1.291 1.00 0.00 C ATOM 628 C ASN A 40 -6.436 10.124 1.473 1.00 0.00 C ATOM 629 O ASN A 40 -6.709 10.786 2.473 1.00 0.00 O ATOM 630 CB ASN A 40 -8.545 8.684 1.100 1.00 0.00 C ATOM 631 CG ASN A 40 -9.137 9.966 0.537 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.331 10.098 -0.668 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.460 10.920 1.384 1.00 0.00 N ATOM 0 H ASN A 40 -7.381 7.491 2.931 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.631 8.316 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.795 7.859 0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.015 8.472 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.878 11.785 1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.292 10.794 2.382 1.00 0.00 H new ATOM 640 N VAL A 41 -5.554 10.525 0.558 1.00 0.00 N ATOM 641 CA VAL A 41 -4.788 11.761 0.695 1.00 0.00 C ATOM 642 C VAL A 41 -5.698 12.980 0.579 1.00 0.00 C ATOM 643 O VAL A 41 -6.035 13.438 -0.515 1.00 0.00 O ATOM 644 CB VAL A 41 -3.575 11.776 -0.245 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.810 13.106 -0.266 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.599 10.729 0.287 1.00 0.00 C ATOM 0 H VAL A 41 -5.352 10.004 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.364 11.809 1.698 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.945 11.594 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.969 13.031 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.477 13.904 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.441 13.329 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.715 10.700 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.306 10.989 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.079 9.750 0.286 1.00 0.00 H new ATOM 656 N MET A 42 -6.013 13.488 1.764 1.00 0.00 N ATOM 657 CA MET A 42 -6.840 14.593 2.199 1.00 0.00 C ATOM 658 C MET A 42 -6.685 14.587 3.723 1.00 0.00 C ATOM 659 O MET A 42 -6.372 13.540 4.302 1.00 0.00 O ATOM 660 CB MET A 42 -8.319 14.326 1.866 1.00 0.00 C ATOM 661 CG MET A 42 -8.717 14.778 0.458 1.00 0.00 C ATOM 662 SD MET A 42 -9.581 13.521 -0.520 1.00 0.00 S ATOM 663 CE MET A 42 -9.658 14.417 -2.084 1.00 0.00 C ATOM 0 H MET A 42 -5.612 13.041 2.589 1.00 0.00 H new ATOM 0 HA MET A 42 -6.553 15.531 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.520 13.259 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.946 14.839 2.595 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.355 15.658 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.819 15.084 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.162 13.803 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.211 15.346 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.647 14.644 -2.423 1.00 0.00 H new ATOM 673 N GLU A 43 -6.923 15.734 4.359 1.00 0.00 N ATOM 674 CA GLU A 43 -7.176 15.910 5.792 1.00 0.00 C ATOM 675 C GLU A 43 -6.353 14.968 6.701 1.00 0.00 C ATOM 676 O GLU A 43 -6.905 14.213 7.514 1.00 0.00 O ATOM 677 CB GLU A 43 -8.698 15.821 5.974 1.00 0.00 C ATOM 678 CG GLU A 43 -9.222 16.576 7.197 1.00 0.00 C ATOM 679 CD GLU A 43 -10.755 16.613 7.254 1.00 0.00 C ATOM 680 OE1 GLU A 43 -11.456 16.224 6.286 1.00 0.00 O ATOM 681 OE2 GLU A 43 -11.299 17.064 8.289 1.00 0.00 O ATOM 0 H GLU A 43 -6.946 16.622 3.857 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.821 16.885 6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.184 16.214 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.983 14.772 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.840 16.104 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.838 17.596 7.182 1.00 0.00 H new ATOM 688 N ASN A 44 -5.023 14.988 6.535 1.00 0.00 N ATOM 689 CA ASN A 44 -4.033 14.101 7.155 1.00 0.00 C ATOM 690 C ASN A 44 -2.623 14.518 6.707 1.00 0.00 C ATOM 691 O ASN A 44 -2.489 15.108 5.628 1.00 0.00 O ATOM 692 CB ASN A 44 -4.275 12.617 6.783 1.00 0.00 C ATOM 693 CG ASN A 44 -3.407 12.059 5.662 1.00 0.00 C ATOM 694 OD1 ASN A 44 -2.539 11.231 5.904 1.00 0.00 O ATOM 695 ND2 ASN A 44 -3.659 12.448 4.427 1.00 0.00 N ATOM 0 H ASN A 44 -4.582 15.673 5.921 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.131 14.194 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.118 12.009 7.674 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.321 12.500 6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.126 12.057 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.387 13.140 4.249 1.00 0.00 H new ATOM 702 N PRO A 45 -1.577 14.222 7.496 1.00 0.00 N ATOM 703 CA PRO A 45 -0.240 14.742 7.257 1.00 0.00 C ATOM 704 C PRO A 45 0.455 14.004 6.121 1.00 0.00 C ATOM 705 O PRO A 45 0.164 12.847 5.829 1.00 0.00 O ATOM 706 CB PRO A 45 0.517 14.529 8.566 1.00 0.00 C ATOM 707 CG PRO A 45 -0.158 13.315 9.193 1.00 0.00 C ATOM 708 CD PRO A 45 -1.601 13.411 8.705 1.00 0.00 C ATOM 0 HA PRO A 45 -0.275 15.791 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.577 14.348 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.447 15.403 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.312 12.385 8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.101 13.342 10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.007 12.421 8.499 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.238 13.866 9.464 1.00 0.00 H new ATOM 716 N GLN A 46 1.482 14.625 5.551 1.00 0.00 N ATOM 717 CA GLN A 46 2.271 14.095 4.446 1.00 0.00 C ATOM 718 C GLN A 46 3.294 13.059 4.936 1.00 0.00 C ATOM 719 O GLN A 46 4.318 12.855 4.286 1.00 0.00 O ATOM 720 CB GLN A 46 2.936 15.244 3.669 1.00 0.00 C ATOM 721 CG GLN A 46 1.951 16.227 3.013 1.00 0.00 C ATOM 722 CD GLN A 46 1.221 17.117 4.018 1.00 0.00 C ATOM 723 OE1 GLN A 46 1.831 17.925 4.713 1.00 0.00 O ATOM 724 NE2 GLN A 46 -0.080 16.966 4.176 1.00 0.00 N ATOM 0 H GLN A 46 1.799 15.545 5.857 1.00 0.00 H new ATOM 0 HA GLN A 46 1.604 13.572 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.583 15.798 4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.575 14.820 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.493 16.857 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.217 15.664 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.589 16.296 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.577 17.520 4.874 1.00 0.00 H new ATOM 733 N LYS A 47 3.043 12.388 6.065 1.00 0.00 N ATOM 734 CA LYS A 47 4.031 11.558 6.750 1.00 0.00 C ATOM 735 C LYS A 47 4.585 10.420 5.886 1.00 0.00 C ATOM 736 O LYS A 47 5.677 9.938 6.178 1.00 0.00 O ATOM 737 CB LYS A 47 3.485 11.068 8.106 1.00 0.00 C ATOM 738 CG LYS A 47 2.712 9.737 8.120 1.00 0.00 C ATOM 739 CD LYS A 47 1.406 9.714 7.312 1.00 0.00 C ATOM 740 CE LYS A 47 0.675 8.371 7.462 1.00 0.00 C ATOM 741 NZ LYS A 47 0.008 8.204 8.770 1.00 0.00 N ATOM 0 H LYS A 47 2.136 12.408 6.532 1.00 0.00 H new ATOM 0 HA LYS A 47 4.894 12.193 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.325 10.976 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.829 11.842 8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.367 8.954 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.482 9.483 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.756 10.523 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.625 9.895 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.069 8.281 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.390 7.560 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.465 7.278 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.716 8.259 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.697 8.957 8.899 1.00 0.00 H new ATOM 755 N ALA A 48 3.837 9.957 4.878 1.00 0.00 N ATOM 756 CA ALA A 48 4.358 9.079 3.844 1.00 0.00 C ATOM 757 C ALA A 48 4.887 9.840 2.621 1.00 0.00 C ATOM 758 O ALA A 48 5.818 9.387 1.970 1.00 0.00 O ATOM 759 CB ALA A 48 3.294 8.070 3.418 1.00 0.00 C ATOM 0 H ALA A 48 2.850 10.186 4.763 1.00 0.00 H new ATOM 0 HA ALA A 48 5.208 8.554 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.699 7.419 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.997 7.469 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.425 8.600 3.029 1.00 0.00 H new ATOM 765 N MET A 49 4.242 10.944 2.230 1.00 0.00 N ATOM 766 CA MET A 49 4.588 11.723 1.033 1.00 0.00 C ATOM 767 C MET A 49 5.877 12.536 1.195 1.00 0.00 C ATOM 768 O MET A 49 6.329 13.153 0.232 1.00 0.00 O ATOM 769 CB MET A 49 3.408 12.614 0.603 1.00 0.00 C ATOM 770 CG MET A 49 2.741 12.033 -0.650 1.00 0.00 C ATOM 771 SD MET A 49 3.623 12.341 -2.201 1.00 0.00 S ATOM 772 CE MET A 49 2.831 13.909 -2.649 1.00 0.00 C ATOM 0 H MET A 49 3.450 11.329 2.745 1.00 0.00 H new ATOM 0 HA MET A 49 4.787 11.005 0.238 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.681 12.685 1.412 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.760 13.626 0.402 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.633 10.956 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.736 12.447 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.244 14.269 -3.591 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.757 13.756 -2.759 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.015 14.646 -1.867 1.00 0.00 H new ATOM 782 N GLU A 50 6.464 12.570 2.388 1.00 0.00 N ATOM 783 CA GLU A 50 7.869 12.907 2.586 1.00 0.00 C ATOM 784 C GLU A 50 8.745 11.768 2.018 1.00 0.00 C ATOM 785 O GLU A 50 8.614 11.456 0.834 1.00 0.00 O ATOM 786 CB GLU A 50 8.104 13.210 4.070 1.00 0.00 C ATOM 787 CG GLU A 50 7.754 12.036 5.006 1.00 0.00 C ATOM 788 CD GLU A 50 8.754 11.946 6.152 1.00 0.00 C ATOM 789 OE1 GLU A 50 9.958 11.758 5.864 1.00 0.00 O ATOM 790 OE2 GLU A 50 8.351 12.092 7.332 1.00 0.00 O ATOM 0 H GLU A 50 5.970 12.361 3.256 1.00 0.00 H new ATOM 0 HA GLU A 50 8.153 13.808 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.150 13.479 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.509 14.078 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.748 12.169 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.753 11.103 4.443 1.00 0.00 H new ATOM 797 N TYR A 51 9.576 11.096 2.832 1.00 0.00 N ATOM 798 CA TYR A 51 10.375 9.933 2.462 1.00 0.00 C ATOM 799 C TYR A 51 11.353 10.295 1.327 1.00 0.00 C ATOM 800 O TYR A 51 11.519 11.464 0.967 1.00 0.00 O ATOM 801 CB TYR A 51 9.451 8.739 2.113 1.00 0.00 C ATOM 802 CG TYR A 51 8.640 8.015 3.177 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.979 8.020 4.545 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.562 7.219 2.741 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.194 7.301 5.471 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.763 6.518 3.656 1.00 0.00 C ATOM 807 CZ TYR A 51 7.060 6.578 5.033 1.00 0.00 C ATOM 808 OH TYR A 51 6.288 5.868 5.903 1.00 0.00 O ATOM 0 H TYR A 51 9.710 11.366 3.806 1.00 0.00 H new ATOM 0 HA TYR A 51 10.985 9.620 3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.743 9.096 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 51 10.075 7.989 1.627 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.841 8.575 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.348 7.148 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.460 7.303 6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.924 5.935 3.307 1.00 0.00 H new ATOM 0 HH TYR A 51 5.554 5.440 5.415 1.00 0.00 H new ATOM 818 N GLY A 52 12.030 9.293 0.766 1.00 0.00 N ATOM 819 CA GLY A 52 12.854 9.455 -0.424 1.00 0.00 C ATOM 820 C GLY A 52 12.044 9.449 -1.723 1.00 0.00 C ATOM 821 O GLY A 52 12.583 9.827 -2.763 1.00 0.00 O ATOM 0 H GLY A 52 12.020 8.340 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.405 10.392 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.592 8.653 -0.459 1.00 0.00 H new ATOM 825 N ILE A 53 10.776 9.022 -1.704 1.00 0.00 N ATOM 826 CA ILE A 53 9.994 8.794 -2.924 1.00 0.00 C ATOM 827 C ILE A 53 9.417 10.128 -3.408 1.00 0.00 C ATOM 828 O ILE A 53 9.590 10.476 -4.578 1.00 0.00 O ATOM 829 CB ILE A 53 8.970 7.621 -2.772 1.00 0.00 C ATOM 830 CG1 ILE A 53 7.489 7.975 -3.100 1.00 0.00 C ATOM 831 CG2 ILE A 53 9.132 6.848 -1.437 1.00 0.00 C ATOM 832 CD1 ILE A 53 6.505 6.872 -2.720 1.00 0.00 C ATOM 0 H ILE A 53 10.264 8.825 -0.844 1.00 0.00 H new ATOM 0 HA ILE A 53 10.643 8.434 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 53 9.247 6.931 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.217 8.891 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.400 8.180 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.395 6.047 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.134 6.423 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.981 7.531 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.492 7.184 -2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.752 5.961 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.567 6.683 -1.648 1.00 0.00 H new ATOM 844 N MET A 54 8.773 10.874 -2.501 1.00 0.00 N ATOM 845 CA MET A 54 8.077 12.144 -2.718 1.00 0.00 C ATOM 846 C MET A 54 7.272 12.124 -4.023 1.00 0.00 C ATOM 847 O MET A 54 7.406 13.019 -4.865 1.00 0.00 O ATOM 848 CB MET A 54 9.080 13.306 -2.639 1.00 0.00 C ATOM 849 CG MET A 54 9.775 13.379 -1.275 1.00 0.00 C ATOM 850 SD MET A 54 11.257 14.411 -1.270 1.00 0.00 S ATOM 851 CE MET A 54 12.406 13.214 -2.008 1.00 0.00 C ATOM 0 H MET A 54 8.723 10.582 -1.525 1.00 0.00 H new ATOM 0 HA MET A 54 7.344 12.295 -1.926 1.00 0.00 H new ATOM 0 HB2 MET A 54 9.830 13.190 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 54 8.561 14.245 -2.831 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.071 13.766 -0.539 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.044 12.371 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 54 13.174 12.950 -1.280 1.00 0.00 H new ATOM 0 HE2 MET A 54 11.859 12.317 -2.300 1.00 0.00 H new ATOM 0 HE3 MET A 54 12.876 13.655 -2.887 1.00 0.00 H new ATOM 861 N ALA A 55 6.514 11.049 -4.243 1.00 0.00 N ATOM 862 CA ALA A 55 5.800 10.785 -5.479 1.00 0.00 C ATOM 863 C ALA A 55 4.682 9.780 -5.205 1.00 0.00 C ATOM 864 O ALA A 55 4.913 8.597 -4.973 1.00 0.00 O ATOM 865 CB ALA A 55 6.759 10.248 -6.543 1.00 0.00 C ATOM 0 H ALA A 55 6.380 10.321 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 55 5.366 11.712 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.209 10.055 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.540 10.984 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.212 9.322 -6.190 1.00 0.00 H new ATOM 871 N VAL A 56 3.452 10.265 -5.204 1.00 0.00 N ATOM 872 CA VAL A 56 2.255 9.429 -5.214 1.00 0.00 C ATOM 873 C VAL A 56 2.202 8.517 -6.461 1.00 0.00 C ATOM 874 O VAL A 56 2.754 8.868 -7.512 1.00 0.00 O ATOM 875 CB VAL A 56 0.969 10.280 -5.079 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.572 10.424 -3.604 1.00 0.00 C ATOM 877 CG2 VAL A 56 1.058 11.665 -5.740 1.00 0.00 C ATOM 0 H VAL A 56 3.250 11.265 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 56 2.310 8.778 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 56 0.198 9.735 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.334 11.025 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.390 9.437 -3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.378 10.912 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.117 12.196 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.868 12.235 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.253 11.548 -6.806 1.00 0.00 H new ATOM 887 N PRO A 57 1.445 7.403 -6.430 1.00 0.00 N ATOM 888 CA PRO A 57 0.736 6.866 -5.275 1.00 0.00 C ATOM 889 C PRO A 57 1.713 6.217 -4.300 1.00 0.00 C ATOM 890 O PRO A 57 2.411 5.277 -4.659 1.00 0.00 O ATOM 891 CB PRO A 57 -0.267 5.859 -5.837 1.00 0.00 C ATOM 892 CG PRO A 57 0.370 5.383 -7.130 1.00 0.00 C ATOM 893 CD PRO A 57 1.219 6.562 -7.595 1.00 0.00 C ATOM 0 HA PRO A 57 0.224 7.644 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.431 5.032 -5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.237 6.321 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.980 4.494 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.385 5.121 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.165 6.216 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.709 7.119 -8.381 1.00 0.00 H new ATOM 901 N THR A 58 1.783 6.737 -3.082 1.00 0.00 N ATOM 902 CA THR A 58 2.766 6.398 -2.073 1.00 0.00 C ATOM 903 C THR A 58 2.237 5.183 -1.309 1.00 0.00 C ATOM 904 O THR A 58 1.168 5.240 -0.705 1.00 0.00 O ATOM 905 CB THR A 58 2.939 7.670 -1.223 1.00 0.00 C ATOM 906 OG1 THR A 58 3.420 8.733 -2.024 1.00 0.00 O ATOM 907 CG2 THR A 58 3.803 7.548 0.023 1.00 0.00 C ATOM 0 H THR A 58 1.120 7.442 -2.759 1.00 0.00 H new ATOM 0 HA THR A 58 3.746 6.112 -2.455 1.00 0.00 H new ATOM 0 HB THR A 58 1.935 7.866 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.822 9.419 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.845 8.511 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.374 6.802 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.810 7.244 -0.261 1.00 0.00 H new ATOM 915 N ILE A 59 2.929 4.046 -1.375 1.00 0.00 N ATOM 916 CA ILE A 59 2.410 2.773 -0.897 1.00 0.00 C ATOM 917 C ILE A 59 3.490 2.087 -0.075 1.00 0.00 C ATOM 918 O ILE A 59 4.660 2.042 -0.463 1.00 0.00 O ATOM 919 CB ILE A 59 1.967 1.891 -2.086 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.071 2.589 -3.124 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.232 0.628 -1.579 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.290 3.050 -2.619 1.00 0.00 C ATOM 0 H ILE A 59 3.870 3.986 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 59 1.533 2.938 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 59 2.897 1.640 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.606 3.455 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.916 1.907 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.927 0.018 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.900 0.051 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.351 0.924 -1.010 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.837 3.528 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.854 2.190 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.154 3.762 -1.805 1.00 0.00 H new ATOM 934 N VAL A 60 3.086 1.449 1.012 1.00 0.00 N ATOM 935 CA VAL A 60 3.953 0.660 1.863 1.00 0.00 C ATOM 936 C VAL A 60 3.455 -0.775 1.726 1.00 0.00 C ATOM 937 O VAL A 60 2.244 -0.994 1.802 1.00 0.00 O ATOM 938 CB VAL A 60 3.932 1.218 3.298 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.920 0.480 4.200 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.277 2.720 3.322 1.00 0.00 C ATOM 0 H VAL A 60 2.118 1.468 1.333 1.00 0.00 H new ATOM 0 HA VAL A 60 5.004 0.698 1.578 1.00 0.00 H new ATOM 0 HB VAL A 60 2.919 1.070 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.879 0.900 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.659 -0.578 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.929 0.590 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.253 3.082 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.273 2.871 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.549 3.270 2.726 1.00 0.00 H new ATOM 950 N ILE A 61 4.359 -1.724 1.451 1.00 0.00 N ATOM 951 CA ILE A 61 4.081 -3.166 1.559 1.00 0.00 C ATOM 952 C ILE A 61 5.124 -3.763 2.485 1.00 0.00 C ATOM 953 O ILE A 61 6.256 -3.285 2.475 1.00 0.00 O ATOM 954 CB ILE A 61 4.035 -3.886 0.191 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.346 -3.813 -0.638 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.817 -3.356 -0.595 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.420 -4.872 -0.338 1.00 0.00 C ATOM 0 H ILE A 61 5.309 -1.514 1.146 1.00 0.00 H new ATOM 0 HA ILE A 61 3.081 -3.308 1.969 1.00 0.00 H new ATOM 0 HB ILE A 61 3.929 -4.953 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.084 -3.885 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.789 -2.829 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.766 -3.852 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.905 -3.561 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.919 -2.281 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.282 -4.709 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.728 -4.793 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.012 -5.866 -0.522 1.00 0.00 H new ATOM 969 N ASN A 62 4.754 -4.785 3.258 1.00 0.00 N ATOM 970 CA ASN A 62 5.365 -5.303 4.498 1.00 0.00 C ATOM 971 C ASN A 62 5.766 -4.265 5.563 1.00 0.00 C ATOM 972 O ASN A 62 5.556 -4.505 6.755 1.00 0.00 O ATOM 973 CB ASN A 62 6.546 -6.254 4.230 1.00 0.00 C ATOM 974 CG ASN A 62 6.331 -7.216 3.070 1.00 0.00 C ATOM 975 OD1 ASN A 62 5.273 -7.823 2.941 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.300 -7.349 2.186 1.00 0.00 N ATOM 0 H ASN A 62 3.931 -5.334 3.010 1.00 0.00 H new ATOM 0 HA ASN A 62 4.533 -5.855 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.437 -5.659 4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.743 -6.832 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.175 -7.963 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.174 -6.838 2.307 1.00 0.00 H new ATOM 983 N GLY A 63 6.368 -3.155 5.147 1.00 0.00 N ATOM 984 CA GLY A 63 6.912 -2.031 5.881 1.00 0.00 C ATOM 985 C GLY A 63 7.732 -1.113 4.953 1.00 0.00 C ATOM 986 O GLY A 63 8.089 -0.015 5.369 1.00 0.00 O ATOM 0 H GLY A 63 6.500 -3.010 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.101 -1.463 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.544 -2.393 6.692 1.00 0.00 H new ATOM 990 N ASP A 64 8.035 -1.509 3.707 1.00 0.00 N ATOM 991 CA ASP A 64 8.908 -0.783 2.781 1.00 0.00 C ATOM 992 C ASP A 64 8.108 0.188 1.911 1.00 0.00 C ATOM 993 O ASP A 64 7.072 -0.174 1.330 1.00 0.00 O ATOM 994 CB ASP A 64 9.677 -1.754 1.878 1.00 0.00 C ATOM 995 CG ASP A 64 10.657 -2.634 2.647 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.306 -2.159 3.615 1.00 0.00 O ATOM 997 OD2 ASP A 64 10.782 -3.823 2.284 1.00 0.00 O ATOM 0 H ASP A 64 7.666 -2.371 3.307 1.00 0.00 H new ATOM 0 HA ASP A 64 9.616 -0.216 3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.967 -2.388 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.222 -1.186 1.124 1.00 0.00 H new ATOM 1002 N VAL A 65 8.604 1.422 1.813 1.00 0.00 N ATOM 1003 CA VAL A 65 7.936 2.585 1.240 1.00 0.00 C ATOM 1004 C VAL A 65 8.324 2.696 -0.243 1.00 0.00 C ATOM 1005 O VAL A 65 9.502 2.592 -0.585 1.00 0.00 O ATOM 1006 CB VAL A 65 8.239 3.847 2.100 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.144 3.567 3.619 1.00 0.00 C ATOM 1008 CG2 VAL A 65 9.600 4.523 1.859 1.00 0.00 C ATOM 0 H VAL A 65 9.539 1.647 2.153 1.00 0.00 H new ATOM 0 HA VAL A 65 6.851 2.483 1.264 1.00 0.00 H new ATOM 0 HB VAL A 65 7.460 4.531 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.364 4.480 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.137 3.228 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.863 2.795 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.697 5.389 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.401 3.815 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.668 4.845 0.820 1.00 0.00 H new ATOM 1018 N GLU A 66 7.349 2.786 -1.151 1.00 0.00 N ATOM 1019 CA GLU A 66 7.585 2.711 -2.592 1.00 0.00 C ATOM 1020 C GLU A 66 6.386 3.302 -3.348 1.00 0.00 C ATOM 1021 O GLU A 66 5.383 3.659 -2.728 1.00 0.00 O ATOM 1022 CB GLU A 66 7.720 1.231 -2.961 1.00 0.00 C ATOM 1023 CG GLU A 66 8.594 0.873 -4.159 1.00 0.00 C ATOM 1024 CD GLU A 66 10.017 0.587 -3.702 1.00 0.00 C ATOM 1025 OE1 GLU A 66 10.249 -0.570 -3.273 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.872 1.499 -3.789 1.00 0.00 O ATOM 0 H GLU A 66 6.368 2.914 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 66 8.483 3.269 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.112 0.703 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.720 0.840 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.185 0.001 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.592 1.692 -4.878 1.00 0.00 H new ATOM 1033 N PHE A 67 6.425 3.311 -4.681 1.00 0.00 N ATOM 1034 CA PHE A 67 5.318 3.678 -5.555 1.00 0.00 C ATOM 1035 C PHE A 67 5.613 3.051 -6.908 1.00 0.00 C ATOM 1036 O PHE A 67 6.742 3.160 -7.383 1.00 0.00 O ATOM 1037 CB PHE A 67 5.179 5.200 -5.674 1.00 0.00 C ATOM 1038 CG PHE A 67 6.276 5.976 -6.396 1.00 0.00 C ATOM 1039 CD1 PHE A 67 7.627 5.912 -6.002 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.925 6.784 -7.491 1.00 0.00 C ATOM 1041 CE1 PHE A 67 8.614 6.604 -6.725 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.910 7.466 -8.225 1.00 0.00 C ATOM 1043 CZ PHE A 67 8.259 7.366 -7.850 1.00 0.00 C ATOM 0 H PHE A 67 7.265 3.052 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 67 4.372 3.318 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.237 5.408 -6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.095 5.605 -4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.906 5.327 -5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.887 6.882 -7.771 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.647 6.550 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.629 8.067 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.021 7.873 -8.424 1.00 0.00 H new ATOM 1053 N ILE A 68 4.659 2.323 -7.496 1.00 0.00 N ATOM 1054 CA ILE A 68 4.909 1.608 -8.740 1.00 0.00 C ATOM 1055 C ILE A 68 3.692 1.721 -9.649 1.00 0.00 C ATOM 1056 O ILE A 68 2.782 0.894 -9.575 1.00 0.00 O ATOM 1057 CB ILE A 68 5.366 0.139 -8.517 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.108 -0.070 -7.178 1.00 0.00 C ATOM 1059 CG2 ILE A 68 6.221 -0.210 -9.748 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.728 -1.445 -7.002 1.00 0.00 C ATOM 0 H ILE A 68 3.713 2.217 -7.129 1.00 0.00 H new ATOM 0 HA ILE A 68 5.753 2.082 -9.240 1.00 0.00 H new ATOM 0 HB ILE A 68 4.512 -0.532 -8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.893 0.681 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.409 0.106 -6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.581 -1.235 -9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.617 -0.111 -10.650 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.072 0.469 -9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.226 -1.498 -6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.948 -2.205 -7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.455 -1.620 -7.795 1.00 0.00 H new ATOM 1072 N GLY A 69 3.708 2.728 -10.518 1.00 0.00 N ATOM 1073 CA GLY A 69 2.748 2.904 -11.590 1.00 0.00 C ATOM 1074 C GLY A 69 1.902 4.165 -11.406 1.00 0.00 C ATOM 1075 O GLY A 69 2.111 4.952 -10.476 1.00 0.00 O ATOM 0 H GLY A 69 4.414 3.464 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.275 2.958 -12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.094 2.033 -11.637 1.00 0.00 H new ATOM 1079 N ALA A 70 0.958 4.365 -12.327 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.184 5.252 -12.150 1.00 0.00 C ATOM 1081 C ALA A 70 -1.149 4.706 -11.086 1.00 0.00 C ATOM 1082 O ALA A 70 -1.533 5.478 -10.201 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.901 5.496 -13.485 1.00 0.00 C ATOM 0 H ALA A 70 0.970 3.902 -13.236 1.00 0.00 H new ATOM 0 HA ALA A 70 0.187 6.213 -11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.750 6.161 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.209 5.954 -14.192 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.255 4.547 -13.887 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.586 3.428 -11.128 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.249 2.830 -9.980 1.00 0.00 C ATOM 1091 C PRO A 71 -1.264 2.642 -8.825 1.00 0.00 C ATOM 1092 O PRO A 71 -0.076 2.942 -8.921 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.820 1.496 -10.464 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.886 1.106 -11.601 1.00 0.00 C ATOM 1095 CD PRO A 71 -1.494 2.450 -12.210 1.00 0.00 C ATOM 0 HA PRO A 71 -3.044 3.469 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.822 0.748 -9.671 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.849 1.600 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.016 0.560 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.384 0.465 -12.328 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.484 2.413 -12.617 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.159 2.714 -13.032 1.00 0.00 H new ATOM 1103 N THR A 72 -1.797 2.128 -7.723 1.00 0.00 N ATOM 1104 CA THR A 72 -1.110 1.683 -6.525 1.00 0.00 C ATOM 1105 C THR A 72 -0.076 0.579 -6.847 1.00 0.00 C ATOM 1106 O THR A 72 0.200 0.300 -8.007 1.00 0.00 O ATOM 1107 CB THR A 72 -2.236 1.302 -5.536 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.302 0.596 -6.155 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.922 2.579 -5.028 1.00 0.00 C ATOM 0 H THR A 72 -2.806 2.003 -7.642 1.00 0.00 H new ATOM 0 HA THR A 72 -0.486 2.448 -6.063 1.00 0.00 H new ATOM 0 HB THR A 72 -1.751 0.702 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.607 -0.122 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.716 2.313 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.190 3.208 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.347 3.124 -5.871 1.00 0.00 H new ATOM 1117 N LYS A 73 0.553 -0.029 -5.830 1.00 0.00 N ATOM 1118 CA LYS A 73 1.788 -0.833 -5.922 1.00 0.00 C ATOM 1119 C LYS A 73 1.600 -2.194 -6.633 1.00 0.00 C ATOM 1120 O LYS A 73 2.148 -3.194 -6.180 1.00 0.00 O ATOM 1121 CB LYS A 73 2.338 -0.966 -4.496 1.00 0.00 C ATOM 1122 CG LYS A 73 3.752 -1.548 -4.439 1.00 0.00 C ATOM 1123 CD LYS A 73 4.751 -0.679 -3.680 1.00 0.00 C ATOM 1124 CE LYS A 73 4.604 -0.870 -2.155 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.758 -0.405 -1.346 1.00 0.00 N ATOM 0 H LYS A 73 0.200 0.027 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 73 2.509 -0.325 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.338 0.016 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.669 -1.600 -3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.711 -2.531 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.114 -1.696 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.766 -0.934 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.595 0.369 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.711 -0.340 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.441 -1.928 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.688 -0.795 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.643 -0.727 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.753 0.634 -1.299 1.00 0.00 H new ATOM 1139 N GLU A 74 0.817 -2.282 -7.704 1.00 0.00 N ATOM 1140 CA GLU A 74 0.358 -3.518 -8.330 1.00 0.00 C ATOM 1141 C GLU A 74 1.530 -4.390 -8.787 1.00 0.00 C ATOM 1142 O GLU A 74 1.503 -5.598 -8.568 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.655 -3.214 -9.446 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.841 -2.427 -8.868 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.118 -2.542 -9.693 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.195 -1.976 -10.806 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -4.088 -3.138 -9.162 1.00 0.00 O ATOM 0 H GLU A 74 0.468 -1.452 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.170 -4.113 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.176 -2.639 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.007 -4.143 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.040 -2.780 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.564 -1.376 -8.790 1.00 0.00 H new ATOM 1154 N ALA A 75 2.595 -3.777 -9.311 1.00 0.00 N ATOM 1155 CA ALA A 75 3.835 -4.455 -9.683 1.00 0.00 C ATOM 1156 C ALA A 75 4.442 -5.273 -8.534 1.00 0.00 C ATOM 1157 O ALA A 75 4.935 -6.379 -8.759 1.00 0.00 O ATOM 1158 CB ALA A 75 4.834 -3.393 -10.132 1.00 0.00 C ATOM 0 H ALA A 75 2.617 -2.773 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 75 3.608 -5.162 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.771 -3.872 -10.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.429 -2.851 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.016 -2.696 -9.314 1.00 0.00 H new ATOM 1164 N LEU A 76 4.425 -4.730 -7.311 1.00 0.00 N ATOM 1165 CA LEU A 76 4.885 -5.458 -6.126 1.00 0.00 C ATOM 1166 C LEU A 76 3.755 -6.319 -5.552 1.00 0.00 C ATOM 1167 O LEU A 76 4.031 -7.332 -4.921 1.00 0.00 O ATOM 1168 CB LEU A 76 5.429 -4.484 -5.057 1.00 0.00 C ATOM 1169 CG LEU A 76 6.826 -4.776 -4.476 1.00 0.00 C ATOM 1170 CD1 LEU A 76 6.860 -6.080 -3.683 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.931 -4.772 -5.535 1.00 0.00 C ATOM 0 H LEU A 76 4.096 -3.784 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 76 5.700 -6.117 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.447 -3.484 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.719 -4.460 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 76 7.028 -3.952 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.865 -6.243 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.155 -6.020 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.585 -6.909 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.890 -4.984 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.720 -5.535 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.972 -3.794 -6.015 1.00 0.00 H new ATOM 1183 N VAL A 77 2.483 -5.968 -5.750 1.00 0.00 N ATOM 1184 CA VAL A 77 1.340 -6.749 -5.276 1.00 0.00 C ATOM 1185 C VAL A 77 1.347 -8.139 -5.940 1.00 0.00 C ATOM 1186 O VAL A 77 1.085 -9.154 -5.288 1.00 0.00 O ATOM 1187 CB VAL A 77 0.038 -5.915 -5.417 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -1.029 -6.456 -6.377 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.614 -5.655 -4.054 1.00 0.00 C ATOM 0 H VAL A 77 2.215 -5.121 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 77 1.407 -6.962 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 77 0.400 -4.992 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.886 -5.783 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.613 -6.525 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.347 -7.445 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.523 -5.069 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.863 -6.606 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.080 -5.105 -3.418 1.00 0.00 H new ATOM 1199 N GLU A 78 1.757 -8.203 -7.209 1.00 0.00 N ATOM 1200 CA GLU A 78 2.057 -9.394 -8.005 1.00 0.00 C ATOM 1201 C GLU A 78 3.196 -10.252 -7.426 1.00 0.00 C ATOM 1202 O GLU A 78 3.433 -11.352 -7.938 1.00 0.00 O ATOM 1203 CB GLU A 78 2.455 -8.907 -9.407 1.00 0.00 C ATOM 1204 CG GLU A 78 1.257 -8.618 -10.313 1.00 0.00 C ATOM 1205 CD GLU A 78 1.734 -8.107 -11.671 1.00 0.00 C ATOM 1206 OE1 GLU A 78 2.138 -8.934 -12.525 1.00 0.00 O ATOM 1207 OE2 GLU A 78 1.717 -6.876 -11.899 1.00 0.00 O ATOM 0 H GLU A 78 1.899 -7.351 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 78 1.173 -10.032 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.056 -8.003 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.085 -9.660 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.665 -9.523 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.608 -7.878 -9.845 1.00 0.00 H new ATOM 1214 N ALA A 79 3.878 -9.791 -6.373 1.00 0.00 N ATOM 1215 CA ALA A 79 5.029 -10.436 -5.764 1.00 0.00 C ATOM 1216 C ALA A 79 4.852 -10.648 -4.255 1.00 0.00 C ATOM 1217 O ALA A 79 5.201 -11.720 -3.764 1.00 0.00 O ATOM 1218 CB ALA A 79 6.280 -9.630 -6.093 1.00 0.00 C ATOM 0 H ALA A 79 3.626 -8.919 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 79 5.133 -11.437 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.149 -10.106 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.412 -9.588 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.175 -8.619 -5.700 1.00 0.00 H new ATOM 1224 N ILE A 80 4.210 -9.740 -3.511 1.00 0.00 N ATOM 1225 CA ILE A 80 3.753 -10.060 -2.167 1.00 0.00 C ATOM 1226 C ILE A 80 2.738 -11.212 -2.241 1.00 0.00 C ATOM 1227 O ILE A 80 2.744 -12.057 -1.356 1.00 0.00 O ATOM 1228 CB ILE A 80 3.258 -8.804 -1.411 1.00 0.00 C ATOM 1229 CG1 ILE A 80 1.852 -8.360 -1.857 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.302 -7.688 -1.498 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.474 -6.926 -1.461 1.00 0.00 C ATOM 0 H ILE A 80 4.000 -8.790 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 80 4.588 -10.414 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 80 3.145 -9.063 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.784 -8.453 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.118 -9.045 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.941 -6.810 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.236 -8.028 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.473 -7.430 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.468 -6.703 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.505 -6.828 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.180 -6.227 -1.908 1.00 0.00 H new ATOM 1243 N LYS A 81 1.952 -11.341 -3.329 1.00 0.00 N ATOM 1244 CA LYS A 81 1.159 -12.561 -3.526 1.00 0.00 C ATOM 1245 C LYS A 81 2.005 -13.826 -3.736 1.00 0.00 C ATOM 1246 O LYS A 81 1.470 -14.932 -3.631 1.00 0.00 O ATOM 1247 CB LYS A 81 0.166 -12.407 -4.691 1.00 0.00 C ATOM 1248 CG LYS A 81 0.780 -12.433 -6.106 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.200 -12.898 -7.190 1.00 0.00 C ATOM 1250 CE LYS A 81 -0.434 -14.418 -7.051 1.00 0.00 C ATOM 1251 NZ LYS A 81 -1.542 -14.937 -7.880 1.00 0.00 N ATOM 0 H LYS A 81 1.853 -10.637 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 81 0.612 -12.693 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.573 -13.205 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.369 -11.466 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.139 -11.435 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.648 -13.093 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.145 -12.363 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.198 -12.669 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.483 -14.942 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.638 -14.649 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.636 -15.962 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.429 -14.465 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.342 -14.749 -8.883 1.00 0.00 H new ATOM 1265 N LYS A 82 3.266 -13.698 -4.167 1.00 0.00 N ATOM 1266 CA LYS A 82 4.085 -14.815 -4.640 1.00 0.00 C ATOM 1267 C LYS A 82 4.874 -15.413 -3.488 1.00 0.00 C ATOM 1268 O LYS A 82 4.873 -16.636 -3.351 1.00 0.00 O ATOM 1269 CB LYS A 82 4.918 -14.424 -5.884 1.00 0.00 C ATOM 1270 CG LYS A 82 6.379 -13.958 -5.706 1.00 0.00 C ATOM 1271 CD LYS A 82 7.414 -15.087 -5.674 1.00 0.00 C ATOM 1272 CE LYS A 82 7.774 -15.517 -7.102 1.00 0.00 C ATOM 1273 NZ LYS A 82 8.929 -16.434 -7.130 1.00 0.00 N ATOM 0 H LYS A 82 3.751 -12.801 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 82 3.442 -15.618 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.929 -15.284 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.382 -13.627 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.630 -13.277 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.454 -13.389 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.310 -14.754 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.018 -15.938 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.914 -16.004 -7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.998 -14.634 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.138 -16.699 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.758 -15.962 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.707 -17.289 -6.581 1.00 0.00 H new ATOM 1287 N ARG A 83 5.517 -14.563 -2.681 1.00 0.00 N ATOM 1288 CA ARG A 83 6.343 -14.898 -1.524 1.00 0.00 C ATOM 1289 C ARG A 83 6.803 -13.567 -0.944 1.00 0.00 C ATOM 1290 O ARG A 83 7.906 -13.108 -1.256 1.00 0.00 O ATOM 1291 CB ARG A 83 7.526 -15.828 -1.901 1.00 0.00 C ATOM 1292 CG ARG A 83 8.126 -16.577 -0.698 1.00 0.00 C ATOM 1293 CD ARG A 83 9.547 -16.145 -0.315 1.00 0.00 C ATOM 1294 NE ARG A 83 9.581 -14.957 0.555 1.00 0.00 N ATOM 1295 CZ ARG A 83 10.633 -14.546 1.269 1.00 0.00 C ATOM 1296 NH1 ARG A 83 11.828 -15.123 1.147 1.00 0.00 N ATOM 1297 NH2 ARG A 83 10.469 -13.541 2.115 1.00 0.00 N ATOM 0 H ARG A 83 5.469 -13.555 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 83 5.779 -15.467 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.186 -16.555 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.307 -15.234 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.473 -16.434 0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.133 -17.644 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.046 -16.971 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.113 -15.938 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 83 8.729 -14.400 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.956 -15.898 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.615 -14.790 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.555 -13.099 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.257 -13.209 2.671 1.00 0.00 H new ATOM 1311 N LEU A 84 5.935 -12.927 -0.150 1.00 0.00 N ATOM 1312 CA LEU A 84 6.270 -11.656 0.493 1.00 0.00 C ATOM 1313 C LEU A 84 7.515 -11.804 1.345 1.00 0.00 C ATOM 1314 O LEU A 84 8.202 -10.782 1.562 1.00 0.00 O ATOM 1315 CB LEU A 84 5.068 -11.053 1.248 1.00 0.00 C ATOM 1316 CG LEU A 84 4.580 -11.777 2.519 1.00 0.00 C ATOM 1317 CD1 LEU A 84 5.351 -11.365 3.777 1.00 0.00 C ATOM 1318 CD2 LEU A 84 3.102 -11.434 2.748 1.00 0.00 C ATOM 1319 OXT LEU A 84 7.833 -12.930 1.781 1.00 0.00 O ATOM 0 H LEU A 84 4.998 -13.270 0.060 1.00 0.00 H new ATOM 0 HA LEU A 84 6.507 -10.927 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.324 -10.030 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.230 -10.996 0.553 1.00 0.00 H new ATOM 0 HG LEU A 84 4.739 -12.843 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.961 -11.909 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.408 -11.599 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.234 -10.294 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.746 -11.941 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.994 -10.357 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.515 -11.761 1.889 1.00 0.00 H new TER 1331 LEU A 84