USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 602 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 70 LYS NZ :NH3+ 149:sc= -0.0164 (180deg=-0.356) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc=-0.000945 (180deg=0) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 22 THR OG1 : rot 140:sc= -2.72! USER MOD Set 2.3: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 33 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.02) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 83:sc= -1.4 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= -0.0571 (180deg=-0.0646) USER MOD Single : A 30 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.6!) USER MOD Single : A 32 MET CE :methyl 166:sc= -0.0579 (180deg=-0.468) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 61:sc= 0.252 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -8.61 K(o=-8.6,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 167:sc= 0.0114 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 9.378 7.911 -10.463 1.00 0.00 N ATOM 75 CA LYS A 6 9.092 6.825 -9.531 1.00 0.00 C ATOM 76 C LYS A 6 10.052 6.866 -8.345 1.00 0.00 C ATOM 77 O LYS A 6 11.269 6.794 -8.515 1.00 0.00 O ATOM 78 CB LYS A 6 9.190 5.473 -10.244 1.00 0.00 C ATOM 79 CG LYS A 6 7.870 4.723 -10.306 1.00 0.00 C ATOM 80 CD LYS A 6 6.897 5.381 -11.272 1.00 0.00 C ATOM 81 CE LYS A 6 5.556 4.666 -11.282 1.00 0.00 C ATOM 82 NZ LYS A 6 4.775 4.937 -10.044 1.00 0.00 N ATOM 0 HA LYS A 6 8.076 6.953 -9.157 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.556 5.632 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.927 4.854 -9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.050 3.693 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.426 4.684 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.753 6.424 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.321 5.377 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.981 4.985 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.717 3.593 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.828 4.516 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.264 4.520 -9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.686 5.964 -9.907 1.00 0.00 H new ATOM 96 N LEU A 7 9.494 6.986 -7.144 1.00 0.00 N ATOM 97 CA LEU A 7 10.300 7.041 -5.928 1.00 0.00 C ATOM 98 C LEU A 7 10.580 5.642 -5.391 1.00 0.00 C ATOM 99 O LEU A 7 9.659 4.895 -5.064 1.00 0.00 O ATOM 100 CB LEU A 7 9.588 7.875 -4.861 1.00 0.00 C ATOM 101 CG LEU A 7 8.208 7.354 -4.447 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.261 6.736 -3.057 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.174 8.472 -4.499 1.00 0.00 C ATOM 0 H LEU A 7 8.488 7.047 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 7 11.252 7.510 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.222 7.923 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.479 8.894 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 7 7.910 6.579 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.271 6.372 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.966 5.905 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.584 7.488 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.201 8.082 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.468 9.271 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.113 8.864 -5.514 1.00 0.00 H new ATOM 115 N HIS A 8 11.860 5.298 -5.296 1.00 0.00 N ATOM 116 CA HIS A 8 12.266 3.993 -4.792 1.00 0.00 C ATOM 117 C HIS A 8 12.252 3.981 -3.267 1.00 0.00 C ATOM 118 O HIS A 8 13.257 4.279 -2.622 1.00 0.00 O ATOM 119 CB HIS A 8 13.660 3.631 -5.311 1.00 0.00 C ATOM 120 CG HIS A 8 13.725 2.281 -5.955 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.367 1.205 -5.383 1.00 0.00 N ATOM 122 CD2 HIS A 8 13.219 1.835 -7.129 1.00 0.00 C ATOM 123 CE1 HIS A 8 14.256 0.155 -6.177 1.00 0.00 C ATOM 124 NE2 HIS A 8 13.563 0.511 -7.244 1.00 0.00 N ATOM 0 H HIS A 8 12.634 5.906 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 8 11.555 3.249 -5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.978 4.384 -6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.368 3.664 -4.482 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.651 2.413 -7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.663 -0.827 -5.986 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.323 -0.099 -8.026 1.00 0.00 H new ATOM 133 N LYS A 9 11.101 3.641 -2.701 1.00 0.00 N ATOM 134 CA LYS A 9 10.939 3.594 -1.254 1.00 0.00 C ATOM 135 C LYS A 9 11.324 2.229 -0.695 1.00 0.00 C ATOM 136 O LYS A 9 11.359 1.234 -1.418 1.00 0.00 O ATOM 137 CB LYS A 9 9.505 3.947 -0.857 1.00 0.00 C ATOM 138 CG LYS A 9 9.432 4.981 0.257 1.00 0.00 C ATOM 139 CD LYS A 9 8.598 6.185 -0.143 1.00 0.00 C ATOM 140 CE LYS A 9 8.026 6.896 1.073 1.00 0.00 C ATOM 141 NZ LYS A 9 7.942 8.368 0.866 1.00 0.00 N ATOM 0 H LYS A 9 10.262 3.393 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 9 11.612 4.336 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.975 4.325 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.989 3.041 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.005 4.524 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.439 5.307 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.212 6.880 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.785 5.865 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.033 6.503 1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.649 6.686 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.547 8.816 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.893 8.748 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.327 8.570 0.052 1.00 0.00 H new ATOM 155 N GLU A 10 11.620 2.201 0.598 1.00 0.00 N ATOM 156 CA GLU A 10 12.014 0.972 1.273 1.00 0.00 C ATOM 157 C GLU A 10 10.852 0.428 2.097 1.00 0.00 C ATOM 158 O GLU A 10 9.866 1.126 2.326 1.00 0.00 O ATOM 159 CB GLU A 10 13.228 1.222 2.172 1.00 0.00 C ATOM 160 CG GLU A 10 14.501 0.557 1.674 1.00 0.00 C ATOM 161 CD GLU A 10 15.239 1.401 0.655 1.00 0.00 C ATOM 162 OE1 GLU A 10 14.584 2.213 -0.031 1.00 0.00 O ATOM 163 OE2 GLU A 10 16.475 1.249 0.542 1.00 0.00 O ATOM 0 H GLU A 10 11.594 3.022 1.203 1.00 0.00 H new ATOM 0 HA GLU A 10 12.286 0.234 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.396 2.296 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.007 0.859 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.158 0.359 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.253 -0.407 1.231 1.00 0.00 H new ATOM 170 N PRO A 11 10.939 -0.836 2.536 1.00 0.00 N ATOM 171 CA PRO A 11 9.872 -1.471 3.312 1.00 0.00 C ATOM 172 C PRO A 11 9.870 -1.022 4.765 1.00 0.00 C ATOM 173 O PRO A 11 10.849 -0.456 5.252 1.00 0.00 O ATOM 174 CB PRO A 11 10.221 -2.952 3.209 1.00 0.00 C ATOM 175 CG PRO A 11 11.706 -2.970 3.105 1.00 0.00 C ATOM 176 CD PRO A 11 12.069 -1.756 2.294 1.00 0.00 C ATOM 0 HA PRO A 11 8.879 -1.219 2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.876 -3.504 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.755 -3.411 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.169 -2.935 4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.054 -3.883 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.016 -1.324 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.173 -1.996 1.236 1.00 0.00 H new ATOM 184 N ALA A 12 8.758 -1.261 5.454 1.00 0.00 N ATOM 185 CA ALA A 12 8.635 -0.859 6.847 1.00 0.00 C ATOM 186 C ALA A 12 8.492 -2.063 7.771 1.00 0.00 C ATOM 187 O ALA A 12 8.759 -3.200 7.381 1.00 0.00 O ATOM 188 CB ALA A 12 7.452 0.081 7.011 1.00 0.00 C ATOM 0 H ALA A 12 7.936 -1.728 5.072 1.00 0.00 H new ATOM 0 HA ALA A 12 9.550 -0.339 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.366 0.378 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.602 0.966 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.538 -0.426 6.701 1.00 0.00 H new ATOM 194 N THR A 13 8.076 -1.795 9.002 1.00 0.00 N ATOM 195 CA THR A 13 7.898 -2.839 10.002 1.00 0.00 C ATOM 196 C THR A 13 6.437 -2.951 10.423 1.00 0.00 C ATOM 197 O THR A 13 5.566 -2.281 9.868 1.00 0.00 O ATOM 198 CB THR A 13 8.769 -2.550 11.226 1.00 0.00 C ATOM 199 OG1 THR A 13 8.231 -1.481 11.983 1.00 0.00 O ATOM 200 CG2 THR A 13 10.197 -2.192 10.874 1.00 0.00 C ATOM 0 H THR A 13 7.854 -0.856 9.333 1.00 0.00 H new ATOM 0 HA THR A 13 8.202 -3.787 9.558 1.00 0.00 H new ATOM 0 HB THR A 13 8.776 -3.476 11.801 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.528 -1.821 12.575 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.760 -1.999 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.656 -3.019 10.332 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.205 -1.300 10.248 1.00 0.00 H new ATOM 208 N LEU A 14 6.179 -3.802 11.409 1.00 0.00 N ATOM 209 CA LEU A 14 4.826 -4.009 11.912 1.00 0.00 C ATOM 210 C LEU A 14 4.587 -3.191 13.177 1.00 0.00 C ATOM 211 O LEU A 14 5.195 -3.445 14.217 1.00 0.00 O ATOM 212 CB LEU A 14 4.589 -5.493 12.197 1.00 0.00 C ATOM 213 CG LEU A 14 3.234 -5.825 12.826 1.00 0.00 C ATOM 214 CD1 LEU A 14 2.106 -5.487 11.864 1.00 0.00 C ATOM 215 CD2 LEU A 14 3.176 -7.291 13.226 1.00 0.00 C ATOM 0 H LEU A 14 6.892 -4.362 11.878 1.00 0.00 H new ATOM 0 HA LEU A 14 4.124 -3.676 11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.684 -6.046 11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.377 -5.850 12.860 1.00 0.00 H new ATOM 0 HG LEU A 14 3.113 -5.221 13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.149 -5.729 12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.136 -4.423 11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.223 -6.066 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.205 -7.508 13.671 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.318 -7.915 12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.963 -7.502 13.950 1.00 0.00 H new ATOM 227 N ILE A 15 3.692 -2.213 13.084 1.00 0.00 N ATOM 228 CA ILE A 15 3.370 -1.362 14.223 1.00 0.00 C ATOM 229 C ILE A 15 1.870 -1.370 14.502 1.00 0.00 C ATOM 230 O ILE A 15 1.443 -1.470 15.653 1.00 0.00 O ATOM 231 CB ILE A 15 3.830 0.090 13.993 1.00 0.00 C ATOM 232 CG1 ILE A 15 5.273 0.115 13.482 1.00 0.00 C ATOM 233 CG2 ILE A 15 3.700 0.896 15.275 1.00 0.00 C ATOM 234 CD1 ILE A 15 6.274 -0.428 14.478 1.00 0.00 C ATOM 0 H ILE A 15 3.177 -1.990 12.232 1.00 0.00 H new ATOM 0 HA ILE A 15 3.903 -1.768 15.083 1.00 0.00 H new ATOM 0 HB ILE A 15 3.189 0.544 13.237 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.335 -0.467 12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.543 1.140 13.229 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.029 1.920 15.096 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.659 0.901 15.598 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.319 0.447 16.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.275 -0.380 14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.240 0.168 15.390 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.029 -1.464 14.713 1.00 0.00 H new ATOM 246 N LYS A 16 1.077 -1.268 13.441 1.00 0.00 N ATOM 247 CA LYS A 16 -0.375 -1.266 13.568 1.00 0.00 C ATOM 248 C LYS A 16 -1.018 -2.037 12.420 1.00 0.00 C ATOM 249 O LYS A 16 -0.564 -1.964 11.279 1.00 0.00 O ATOM 250 CB LYS A 16 -0.905 0.169 13.595 1.00 0.00 C ATOM 251 CG LYS A 16 -2.189 0.328 14.392 1.00 0.00 C ATOM 252 CD LYS A 16 -2.217 1.647 15.147 1.00 0.00 C ATOM 253 CE LYS A 16 -3.641 2.103 15.420 1.00 0.00 C ATOM 254 NZ LYS A 16 -3.761 3.587 15.410 1.00 0.00 N ATOM 0 H LYS A 16 1.416 -1.186 12.483 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.635 -1.757 14.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.141 0.822 14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.078 0.503 12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.045 0.275 13.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.286 -0.498 15.097 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.681 1.539 16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.694 2.409 14.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.308 1.680 14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.966 1.719 16.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.747 3.857 15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.144 3.990 16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.476 3.952 14.479 1.00 0.00 H new ATOM 268 N ALA A 17 -2.078 -2.779 12.728 1.00 0.00 N ATOM 269 CA ALA A 17 -2.780 -3.563 11.720 1.00 0.00 C ATOM 270 C ALA A 17 -4.272 -3.253 11.723 1.00 0.00 C ATOM 271 O ALA A 17 -4.958 -3.457 12.725 1.00 0.00 O ATOM 272 CB ALA A 17 -2.547 -5.048 11.952 1.00 0.00 C ATOM 0 H ALA A 17 -2.468 -2.853 13.667 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.382 -3.292 10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.077 -5.622 11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.480 -5.263 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.917 -5.324 12.939 1.00 0.00 H new ATOM 278 N ILE A 18 -4.771 -2.760 10.593 1.00 0.00 N ATOM 279 CA ILE A 18 -6.183 -2.422 10.464 1.00 0.00 C ATOM 280 C ILE A 18 -6.656 -2.580 9.022 1.00 0.00 C ATOM 281 O ILE A 18 -5.869 -2.455 8.083 1.00 0.00 O ATOM 282 CB ILE A 18 -6.464 -0.981 10.929 1.00 0.00 C ATOM 283 CG1 ILE A 18 -5.825 -0.727 12.296 1.00 0.00 C ATOM 284 CG2 ILE A 18 -7.963 -0.727 10.982 1.00 0.00 C ATOM 285 CD1 ILE A 18 -6.075 0.665 12.834 1.00 0.00 C ATOM 0 H ILE A 18 -4.218 -2.586 9.754 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.732 -3.114 11.103 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.022 -0.290 10.211 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.209 -1.457 13.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.750 -0.890 12.221 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.147 0.295 11.312 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.392 -0.871 9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.425 -1.423 11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.592 0.772 13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.666 1.401 12.142 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.148 0.826 12.942 1.00 0.00 H new ATOM 297 N ASP A 19 -7.946 -2.852 8.855 1.00 0.00 N ATOM 298 CA ASP A 19 -8.525 -3.026 7.527 1.00 0.00 C ATOM 299 C ASP A 19 -8.542 -1.706 6.764 1.00 0.00 C ATOM 300 O ASP A 19 -9.584 -1.061 6.643 1.00 0.00 O ATOM 301 CB ASP A 19 -9.946 -3.585 7.639 1.00 0.00 C ATOM 302 CG ASP A 19 -9.968 -5.019 8.127 1.00 0.00 C ATOM 303 OD1 ASP A 19 -9.798 -5.934 7.293 1.00 0.00 O ATOM 304 OD2 ASP A 19 -10.156 -5.230 9.345 1.00 0.00 O ATOM 0 H ASP A 19 -8.610 -2.957 9.622 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.906 -3.734 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.525 -2.963 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.433 -3.528 6.666 1.00 0.00 H new ATOM 309 N GLY A 20 -7.380 -1.306 6.254 1.00 0.00 N ATOM 310 CA GLY A 20 -7.282 -0.060 5.509 1.00 0.00 C ATOM 311 C GLY A 20 -7.937 1.103 6.232 1.00 0.00 C ATOM 312 O GLY A 20 -9.019 1.550 5.851 1.00 0.00 O ATOM 0 H GLY A 20 -6.504 -1.821 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.232 0.172 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.750 -0.186 4.533 1.00 0.00 H new ATOM 316 N ASP A 21 -7.280 1.587 7.280 1.00 0.00 N ATOM 317 CA ASP A 21 -7.801 2.701 8.065 1.00 0.00 C ATOM 318 C ASP A 21 -6.661 3.546 8.617 1.00 0.00 C ATOM 319 O ASP A 21 -6.666 4.772 8.506 1.00 0.00 O ATOM 320 CB ASP A 21 -8.669 2.181 9.213 1.00 0.00 C ATOM 321 CG ASP A 21 -9.958 1.551 8.724 1.00 0.00 C ATOM 322 OD1 ASP A 21 -10.600 2.132 7.824 1.00 0.00 O ATOM 323 OD2 ASP A 21 -10.326 0.475 9.240 1.00 0.00 O ATOM 0 H ASP A 21 -6.384 1.225 7.606 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.413 3.324 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.104 1.447 9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.903 3.003 9.889 1.00 0.00 H new ATOM 328 N THR A 22 -5.687 2.874 9.218 1.00 0.00 N ATOM 329 CA THR A 22 -4.531 3.546 9.795 1.00 0.00 C ATOM 330 C THR A 22 -3.463 2.534 10.192 1.00 0.00 C ATOM 331 O THR A 22 -3.611 1.818 11.182 1.00 0.00 O ATOM 332 CB THR A 22 -4.950 4.370 11.015 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.816 4.774 11.761 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.875 3.625 11.955 1.00 0.00 C ATOM 0 H THR A 22 -5.676 1.859 9.318 1.00 0.00 H new ATOM 0 HA THR A 22 -4.114 4.215 9.042 1.00 0.00 H new ATOM 0 HB THR A 22 -5.485 5.229 10.611 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.939 5.696 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.132 4.267 12.797 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.784 3.343 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.376 2.728 12.322 1.00 0.00 H new ATOM 342 N VAL A 23 -2.386 2.484 9.417 1.00 0.00 N ATOM 343 CA VAL A 23 -1.291 1.565 9.692 1.00 0.00 C ATOM 344 C VAL A 23 0.034 2.314 9.746 1.00 0.00 C ATOM 345 O VAL A 23 0.500 2.843 8.737 1.00 0.00 O ATOM 346 CB VAL A 23 -1.202 0.459 8.622 1.00 0.00 C ATOM 347 CG1 VAL A 23 -0.125 -0.556 8.981 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.553 -0.222 8.447 1.00 0.00 C ATOM 0 H VAL A 23 -2.249 3.070 8.593 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.491 1.103 10.659 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.926 0.920 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.081 -1.327 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.840 -0.054 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.363 -1.015 9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.473 -1.000 7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.861 -0.668 9.393 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.294 0.514 8.135 1.00 0.00 H new ATOM 358 N LYS A 24 0.635 2.356 10.930 1.00 0.00 N ATOM 359 CA LYS A 24 1.903 3.049 11.114 1.00 0.00 C ATOM 360 C LYS A 24 3.076 2.183 10.669 1.00 0.00 C ATOM 361 O LYS A 24 3.219 1.038 11.098 1.00 0.00 O ATOM 362 CB LYS A 24 2.073 3.462 12.579 1.00 0.00 C ATOM 363 CG LYS A 24 2.171 4.966 12.777 1.00 0.00 C ATOM 364 CD LYS A 24 2.097 5.342 14.248 1.00 0.00 C ATOM 365 CE LYS A 24 0.795 6.056 14.577 1.00 0.00 C ATOM 366 NZ LYS A 24 -0.361 5.118 14.605 1.00 0.00 N ATOM 0 H LYS A 24 0.265 1.919 11.774 1.00 0.00 H new ATOM 0 HA LYS A 24 1.891 3.944 10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.230 3.082 13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.971 2.991 12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.108 5.329 12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.365 5.459 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.185 4.444 14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.940 5.984 14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.886 6.549 15.545 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.612 6.836 13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.229 5.644 14.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.464 4.666 13.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.198 4.388 15.328 1.00 0.00 H new ATOM 380 N LEU A 25 3.914 2.743 9.806 1.00 0.00 N ATOM 381 CA LEU A 25 5.081 2.037 9.296 1.00 0.00 C ATOM 382 C LEU A 25 6.359 2.715 9.771 1.00 0.00 C ATOM 383 O LEU A 25 6.449 3.942 9.792 1.00 0.00 O ATOM 384 CB LEU A 25 5.048 1.999 7.767 1.00 0.00 C ATOM 385 CG LEU A 25 4.370 0.769 7.166 1.00 0.00 C ATOM 386 CD1 LEU A 25 2.864 0.849 7.358 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.717 0.637 5.691 1.00 0.00 C ATOM 0 H LEU A 25 3.805 3.690 9.443 1.00 0.00 H new ATOM 0 HA LEU A 25 5.063 1.016 9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.534 2.891 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.071 2.049 7.395 1.00 0.00 H new ATOM 0 HG LEU A 25 4.736 -0.118 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.395 -0.034 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.635 0.896 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.481 1.742 6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.226 -0.244 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.378 1.524 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.797 0.536 5.579 1.00 0.00 H new ATOM 399 N MET A 26 7.348 1.915 10.151 1.00 0.00 N ATOM 400 CA MET A 26 8.613 2.455 10.625 1.00 0.00 C ATOM 401 C MET A 26 9.420 3.036 9.470 1.00 0.00 C ATOM 402 O MET A 26 10.085 2.307 8.733 1.00 0.00 O ATOM 403 CB MET A 26 9.423 1.367 11.334 1.00 0.00 C ATOM 404 CG MET A 26 9.202 1.326 12.838 1.00 0.00 C ATOM 405 SD MET A 26 10.632 1.912 13.769 1.00 0.00 S ATOM 406 CE MET A 26 10.720 0.677 15.064 1.00 0.00 C ATOM 0 H MET A 26 7.298 0.896 10.140 1.00 0.00 H new ATOM 0 HA MET A 26 8.397 3.255 11.333 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.162 0.397 10.910 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.483 1.527 11.135 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.335 1.936 13.090 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.971 0.304 13.139 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.557 0.902 15.725 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.793 0.685 15.638 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.863 -0.308 14.619 1.00 0.00 H new ATOM 416 N TYR A 27 9.360 4.355 9.322 1.00 0.00 N ATOM 417 CA TYR A 27 10.087 5.040 8.261 1.00 0.00 C ATOM 418 C TYR A 27 11.135 5.982 8.845 1.00 0.00 C ATOM 419 O TYR A 27 10.802 6.954 9.522 1.00 0.00 O ATOM 420 CB TYR A 27 9.120 5.825 7.372 1.00 0.00 C ATOM 421 CG TYR A 27 9.790 6.492 6.192 1.00 0.00 C ATOM 422 CD1 TYR A 27 10.471 7.693 6.343 1.00 0.00 C ATOM 423 CD2 TYR A 27 9.742 5.919 4.927 1.00 0.00 C ATOM 424 CE1 TYR A 27 11.084 8.306 5.267 1.00 0.00 C ATOM 425 CE2 TYR A 27 10.354 6.526 3.846 1.00 0.00 C ATOM 426 CZ TYR A 27 11.022 7.718 4.022 1.00 0.00 C ATOM 427 OH TYR A 27 11.633 8.325 2.948 1.00 0.00 O ATOM 0 H TYR A 27 8.814 4.971 9.925 1.00 0.00 H new ATOM 0 HA TYR A 27 10.593 4.287 7.657 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.346 5.150 7.006 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.622 6.585 7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.522 8.155 7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.218 4.985 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.609 9.240 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.309 6.068 2.869 1.00 0.00 H new ATOM 0 HH TYR A 27 11.497 7.782 2.144 1.00 0.00 H new ATOM 437 N LYS A 28 12.403 5.685 8.580 1.00 0.00 N ATOM 438 CA LYS A 28 13.501 6.503 9.082 1.00 0.00 C ATOM 439 C LYS A 28 13.553 6.473 10.608 1.00 0.00 C ATOM 440 O LYS A 28 14.063 7.400 11.239 1.00 0.00 O ATOM 441 CB LYS A 28 13.357 7.945 8.592 1.00 0.00 C ATOM 442 CG LYS A 28 14.641 8.754 8.690 1.00 0.00 C ATOM 443 CD LYS A 28 14.431 10.193 8.246 1.00 0.00 C ATOM 444 CE LYS A 28 15.022 10.444 6.870 1.00 0.00 C ATOM 445 NZ LYS A 28 14.262 9.742 5.801 1.00 0.00 N ATOM 0 H LYS A 28 12.696 4.884 8.020 1.00 0.00 H new ATOM 0 HA LYS A 28 14.433 6.088 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.022 7.935 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.580 8.441 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.004 8.739 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.411 8.291 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.365 10.418 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.890 10.868 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.027 11.515 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.060 10.112 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.728 9.898 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.235 8.723 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.291 10.114 5.764 1.00 0.00 H new ATOM 459 N GLY A 29 13.026 5.402 11.194 1.00 0.00 N ATOM 460 CA GLY A 29 13.027 5.274 12.641 1.00 0.00 C ATOM 461 C GLY A 29 11.746 5.779 13.279 1.00 0.00 C ATOM 462 O GLY A 29 11.488 5.510 14.454 1.00 0.00 O ATOM 0 H GLY A 29 12.599 4.622 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.172 4.227 12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.873 5.827 13.049 1.00 0.00 H new ATOM 466 N GLN A 30 10.943 6.512 12.514 1.00 0.00 N ATOM 467 CA GLN A 30 9.688 7.050 13.026 1.00 0.00 C ATOM 468 C GLN A 30 8.490 6.386 12.348 1.00 0.00 C ATOM 469 O GLN A 30 8.504 6.144 11.141 1.00 0.00 O ATOM 470 CB GLN A 30 9.634 8.564 12.813 1.00 0.00 C ATOM 471 CG GLN A 30 10.180 9.363 13.986 1.00 0.00 C ATOM 472 CD GLN A 30 11.376 10.215 13.607 1.00 0.00 C ATOM 473 OE1 GLN A 30 11.540 10.596 12.448 1.00 0.00 O ATOM 474 NE2 GLN A 30 12.220 10.519 14.587 1.00 0.00 N ATOM 0 H GLN A 30 11.138 6.746 11.541 1.00 0.00 H new ATOM 0 HA GLN A 30 9.641 6.837 14.094 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.200 8.817 11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.601 8.860 12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.393 10.005 14.381 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.465 8.679 14.785 1.00 0.00 H new ATOM 0 HE21 GLN A 30 12.045 10.182 15.534 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.043 11.090 14.393 1.00 0.00 H new ATOM 483 N PRO A 31 7.431 6.080 13.120 1.00 0.00 N ATOM 484 CA PRO A 31 6.224 5.443 12.590 1.00 0.00 C ATOM 485 C PRO A 31 5.305 6.435 11.883 1.00 0.00 C ATOM 486 O PRO A 31 5.114 7.558 12.349 1.00 0.00 O ATOM 487 CB PRO A 31 5.553 4.890 13.844 1.00 0.00 C ATOM 488 CG PRO A 31 5.944 5.841 14.923 1.00 0.00 C ATOM 489 CD PRO A 31 7.326 6.333 14.572 1.00 0.00 C ATOM 0 HA PRO A 31 6.451 4.688 11.837 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.470 4.844 13.728 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.893 3.878 14.064 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.240 6.671 14.984 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.942 5.348 15.895 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.445 7.392 14.803 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.095 5.797 15.128 1.00 0.00 H new ATOM 497 N MET A 32 4.740 6.016 10.755 1.00 0.00 N ATOM 498 CA MET A 32 3.842 6.870 9.985 1.00 0.00 C ATOM 499 C MET A 32 2.652 6.075 9.453 1.00 0.00 C ATOM 500 O MET A 32 2.819 5.025 8.832 1.00 0.00 O ATOM 501 CB MET A 32 4.597 7.523 8.826 1.00 0.00 C ATOM 502 CG MET A 32 5.733 8.432 9.270 1.00 0.00 C ATOM 503 SD MET A 32 5.299 10.180 9.184 1.00 0.00 S ATOM 504 CE MET A 32 4.468 10.401 10.756 1.00 0.00 C ATOM 0 H MET A 32 4.888 5.090 10.354 1.00 0.00 H new ATOM 0 HA MET A 32 3.464 7.648 10.648 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.000 6.742 8.181 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.894 8.101 8.226 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.015 8.182 10.293 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.606 8.247 8.644 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.361 11.466 10.964 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.482 9.938 10.715 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.055 9.934 11.547 1.00 0.00 H new ATOM 514 N THR A 33 1.448 6.581 9.712 1.00 0.00 N ATOM 515 CA THR A 33 0.221 5.919 9.274 1.00 0.00 C ATOM 516 C THR A 33 -0.073 6.182 7.796 1.00 0.00 C ATOM 517 O THR A 33 -0.116 7.329 7.357 1.00 0.00 O ATOM 518 CB THR A 33 -0.958 6.391 10.127 1.00 0.00 C ATOM 519 OG1 THR A 33 -0.730 6.111 11.497 1.00 0.00 O ATOM 520 CG2 THR A 33 -2.274 5.752 9.742 1.00 0.00 C ATOM 0 H THR A 33 1.296 7.450 10.224 1.00 0.00 H new ATOM 0 HA THR A 33 0.363 4.846 9.399 1.00 0.00 H new ATOM 0 HB THR A 33 -1.029 7.464 9.948 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.494 6.422 12.026 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.066 6.132 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.505 5.992 8.704 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.201 4.671 9.857 1.00 0.00 H new ATOM 528 N PHE A 34 -0.294 5.105 7.043 1.00 0.00 N ATOM 529 CA PHE A 34 -0.607 5.205 5.617 1.00 0.00 C ATOM 530 C PHE A 34 -1.663 4.170 5.228 1.00 0.00 C ATOM 531 O PHE A 34 -1.531 2.992 5.564 1.00 0.00 O ATOM 532 CB PHE A 34 0.642 4.992 4.775 1.00 0.00 C ATOM 533 CG PHE A 34 1.820 5.826 5.186 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.778 7.206 5.085 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.977 5.227 5.658 1.00 0.00 C ATOM 536 CE1 PHE A 34 2.865 7.976 5.450 1.00 0.00 C ATOM 537 CE2 PHE A 34 4.068 5.991 6.024 1.00 0.00 C ATOM 538 CZ PHE A 34 4.012 7.367 5.920 1.00 0.00 C ATOM 0 H PHE A 34 -0.262 4.149 7.398 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.996 6.206 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.923 3.940 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.404 5.210 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.884 7.687 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.026 4.151 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.818 9.052 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.964 5.513 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.864 7.966 6.206 1.00 0.00 H new ATOM 548 N ARG A 35 -2.708 4.601 4.523 1.00 0.00 N ATOM 549 CA ARG A 35 -3.763 3.682 4.107 1.00 0.00 C ATOM 550 C ARG A 35 -4.314 4.009 2.722 1.00 0.00 C ATOM 551 O ARG A 35 -5.218 4.834 2.595 1.00 0.00 O ATOM 552 CB ARG A 35 -4.903 3.696 5.128 1.00 0.00 C ATOM 553 CG ARG A 35 -5.439 5.088 5.423 1.00 0.00 C ATOM 554 CD ARG A 35 -6.956 5.096 5.515 1.00 0.00 C ATOM 555 NE ARG A 35 -7.581 4.470 4.353 1.00 0.00 N ATOM 556 CZ ARG A 35 -7.848 5.111 3.216 1.00 0.00 C ATOM 557 NH1 ARG A 35 -7.536 6.393 3.078 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.425 4.464 2.212 1.00 0.00 N ATOM 0 H ARG A 35 -2.845 5.569 4.231 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.317 2.689 4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.718 3.073 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.553 3.246 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.015 5.451 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.118 5.775 4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.267 4.572 6.419 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.308 6.124 5.605 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.828 3.482 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.089 6.894 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.743 6.877 2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.664 3.477 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.630 4.953 1.341 1.00 0.00 H new ATOM 572 N LEU A 36 -3.815 3.341 1.694 1.00 0.00 N ATOM 573 CA LEU A 36 -4.325 3.555 0.346 1.00 0.00 C ATOM 574 C LEU A 36 -4.322 2.247 -0.436 1.00 0.00 C ATOM 575 O LEU A 36 -3.363 1.935 -1.136 1.00 0.00 O ATOM 576 CB LEU A 36 -3.508 4.626 -0.380 1.00 0.00 C ATOM 577 CG LEU A 36 -4.183 5.996 -0.477 1.00 0.00 C ATOM 578 CD1 LEU A 36 -3.168 7.111 -0.265 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.879 6.150 -1.822 1.00 0.00 C ATOM 0 H LEU A 36 -3.065 2.653 1.764 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.353 3.909 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.553 4.743 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.288 4.273 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.934 6.067 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.668 8.077 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.717 7.009 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.392 7.046 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.354 7.129 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.146 6.058 -2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.636 5.373 -1.931 1.00 0.00 H new ATOM 591 N LEU A 37 -5.394 1.480 -0.320 1.00 0.00 N ATOM 592 CA LEU A 37 -5.483 0.212 -1.028 1.00 0.00 C ATOM 593 C LEU A 37 -6.916 -0.080 -1.462 1.00 0.00 C ATOM 594 O LEU A 37 -7.758 -0.464 -0.649 1.00 0.00 O ATOM 595 CB LEU A 37 -4.929 -0.913 -0.151 1.00 0.00 C ATOM 596 CG LEU A 37 -5.587 -1.056 1.223 1.00 0.00 C ATOM 597 CD1 LEU A 37 -5.677 -2.520 1.623 1.00 0.00 C ATOM 598 CD2 LEU A 37 -4.814 -0.263 2.266 1.00 0.00 C ATOM 0 H LEU A 37 -6.207 1.709 0.251 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.880 0.276 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.037 -1.856 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.861 -0.748 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.599 -0.655 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.148 -2.601 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.272 -3.062 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.675 -2.948 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.295 -0.375 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.791 -0.636 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.802 0.790 1.987 1.00 0.00 H new ATOM 610 N LEU A 38 -7.190 0.107 -2.749 1.00 0.00 N ATOM 611 CA LEU A 38 -8.525 -0.135 -3.286 1.00 0.00 C ATOM 612 C LEU A 38 -8.456 -0.576 -4.744 1.00 0.00 C ATOM 613 O LEU A 38 -8.071 0.197 -5.621 1.00 0.00 O ATOM 614 CB LEU A 38 -9.382 1.126 -3.161 1.00 0.00 C ATOM 615 CG LEU A 38 -9.491 1.697 -1.745 1.00 0.00 C ATOM 616 CD1 LEU A 38 -10.195 3.044 -1.766 1.00 0.00 C ATOM 617 CD2 LEU A 38 -10.225 0.724 -0.834 1.00 0.00 C ATOM 0 H LEU A 38 -6.508 0.424 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.983 -0.937 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.969 1.894 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.385 0.903 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.484 1.842 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.263 3.435 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.630 3.740 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.197 2.924 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.294 1.146 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.228 0.547 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.680 -0.219 -0.794 1.00 0.00 H new ATOM 929 N ALA A 58 -7.282 -9.768 7.313 1.00 0.00 N ATOM 930 CA ALA A 58 -6.142 -8.955 6.893 1.00 0.00 C ATOM 931 C ALA A 58 -5.288 -8.533 8.087 1.00 0.00 C ATOM 932 O ALA A 58 -4.066 -8.682 8.073 1.00 0.00 O ATOM 933 CB ALA A 58 -6.622 -7.729 6.129 1.00 0.00 C ATOM 0 HA ALA A 58 -5.521 -9.564 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.763 -7.132 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.178 -8.045 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.269 -7.131 6.771 1.00 0.00 H new ATOM 939 N SER A 59 -5.941 -8.007 9.119 1.00 0.00 N ATOM 940 CA SER A 59 -5.247 -7.562 10.325 1.00 0.00 C ATOM 941 C SER A 59 -4.372 -8.671 10.911 1.00 0.00 C ATOM 942 O SER A 59 -3.427 -8.398 11.651 1.00 0.00 O ATOM 943 CB SER A 59 -6.258 -7.091 11.372 1.00 0.00 C ATOM 944 OG SER A 59 -7.209 -8.103 11.655 1.00 0.00 O ATOM 0 H SER A 59 -6.952 -7.878 9.145 1.00 0.00 H new ATOM 0 HA SER A 59 -4.598 -6.731 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.735 -6.813 12.287 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.769 -6.198 11.013 1.00 0.00 H new ATOM 0 HG SER A 59 -7.843 -7.778 12.328 1.00 0.00 H new ATOM 950 N ALA A 60 -4.687 -9.922 10.580 1.00 0.00 N ATOM 951 CA ALA A 60 -3.923 -11.058 11.077 1.00 0.00 C ATOM 952 C ALA A 60 -2.722 -11.335 10.181 1.00 0.00 C ATOM 953 O ALA A 60 -1.681 -11.798 10.646 1.00 0.00 O ATOM 954 CB ALA A 60 -4.810 -12.290 11.172 1.00 0.00 C ATOM 0 H ALA A 60 -5.466 -10.171 9.970 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.555 -10.814 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.226 -13.131 11.545 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.637 -12.092 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.204 -12.531 10.185 1.00 0.00 H new ATOM 960 N PHE A 61 -2.875 -11.041 8.893 1.00 0.00 N ATOM 961 CA PHE A 61 -1.803 -11.251 7.928 1.00 0.00 C ATOM 962 C PHE A 61 -0.535 -10.520 8.361 1.00 0.00 C ATOM 963 O PHE A 61 0.578 -10.957 8.077 1.00 0.00 O ATOM 964 CB PHE A 61 -2.239 -10.768 6.539 1.00 0.00 C ATOM 965 CG PHE A 61 -3.405 -11.527 5.959 1.00 0.00 C ATOM 966 CD1 PHE A 61 -3.828 -12.727 6.515 1.00 0.00 C ATOM 967 CD2 PHE A 61 -4.078 -11.036 4.852 1.00 0.00 C ATOM 968 CE1 PHE A 61 -4.897 -13.418 5.976 1.00 0.00 C ATOM 969 CE2 PHE A 61 -5.147 -11.722 4.310 1.00 0.00 C ATOM 970 CZ PHE A 61 -5.558 -12.915 4.874 1.00 0.00 C ATOM 0 H PHE A 61 -3.732 -10.657 8.494 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.588 -12.319 7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.501 -9.712 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.393 -10.847 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.316 -13.125 7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.762 -10.104 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.215 -14.351 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.661 -11.327 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.395 -13.453 4.453 1.00 0.00 H new ATOM 980 N THR A 62 -0.717 -9.406 9.056 1.00 0.00 N ATOM 981 CA THR A 62 0.401 -8.606 9.543 1.00 0.00 C ATOM 982 C THR A 62 1.249 -9.382 10.557 1.00 0.00 C ATOM 983 O THR A 62 2.365 -8.978 10.882 1.00 0.00 O ATOM 984 CB THR A 62 -0.112 -7.309 10.176 1.00 0.00 C ATOM 985 OG1 THR A 62 -1.495 -7.405 10.476 1.00 0.00 O ATOM 986 CG2 THR A 62 0.085 -6.094 9.291 1.00 0.00 C ATOM 0 H THR A 62 -1.635 -9.033 9.297 1.00 0.00 H new ATOM 0 HA THR A 62 1.033 -8.366 8.688 1.00 0.00 H new ATOM 0 HB THR A 62 0.477 -7.178 11.084 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.641 -8.133 11.115 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.299 -5.209 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.147 -5.962 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.451 -6.237 8.353 1.00 0.00 H new ATOM 994 N LYS A 63 0.707 -10.487 11.064 1.00 0.00 N ATOM 995 CA LYS A 63 1.403 -11.306 12.046 1.00 0.00 C ATOM 996 C LYS A 63 2.227 -12.395 11.377 1.00 0.00 C ATOM 997 O LYS A 63 3.457 -12.377 11.416 1.00 0.00 O ATOM 998 CB LYS A 63 0.400 -11.930 13.019 1.00 0.00 C ATOM 999 CG LYS A 63 -0.641 -10.946 13.532 1.00 0.00 C ATOM 1000 CD LYS A 63 -1.355 -11.480 14.763 1.00 0.00 C ATOM 1001 CE LYS A 63 -0.758 -10.913 16.041 1.00 0.00 C ATOM 1002 NZ LYS A 63 -1.620 -11.183 17.224 1.00 0.00 N ATOM 0 H LYS A 63 -0.217 -10.835 10.808 1.00 0.00 H new ATOM 0 HA LYS A 63 2.085 -10.659 12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.107 -12.758 12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.941 -12.349 13.867 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.160 -9.998 13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.370 -10.744 12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.414 -11.226 14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.289 -12.568 14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.229 -11.347 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.619 -9.837 15.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.178 -10.780 18.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.553 -10.748 17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.732 -12.210 17.345 1.00 0.00 H new ATOM 1016 N LYS A 64 1.531 -13.352 10.773 1.00 0.00 N ATOM 1017 CA LYS A 64 2.185 -14.464 10.101 1.00 0.00 C ATOM 1018 C LYS A 64 2.501 -14.119 8.652 1.00 0.00 C ATOM 1019 O LYS A 64 3.632 -14.282 8.200 1.00 0.00 O ATOM 1020 CB LYS A 64 1.302 -15.713 10.160 1.00 0.00 C ATOM 1021 CG LYS A 64 1.015 -16.189 11.576 1.00 0.00 C ATOM 1022 CD LYS A 64 0.849 -17.699 11.633 1.00 0.00 C ATOM 1023 CE LYS A 64 -0.121 -18.112 12.730 1.00 0.00 C ATOM 1024 NZ LYS A 64 -0.377 -19.578 12.719 1.00 0.00 N ATOM 0 H LYS A 64 0.512 -13.378 10.736 1.00 0.00 H new ATOM 0 HA LYS A 64 3.123 -14.665 10.618 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.358 -15.504 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.787 -16.517 9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.829 -15.886 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.110 -15.708 11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.488 -18.063 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.818 -18.166 11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.282 -17.821 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.063 -17.578 12.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.042 -19.820 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.785 -19.852 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.518 -20.088 12.866 1.00 0.00 H new ATOM 1038 N MET A 65 1.493 -13.645 7.928 1.00 0.00 N ATOM 1039 CA MET A 65 1.671 -13.284 6.528 1.00 0.00 C ATOM 1040 C MET A 65 2.657 -12.127 6.367 1.00 0.00 C ATOM 1041 O MET A 65 3.132 -11.867 5.267 1.00 0.00 O ATOM 1042 CB MET A 65 0.329 -12.928 5.887 1.00 0.00 C ATOM 1043 CG MET A 65 -0.624 -14.107 5.769 1.00 0.00 C ATOM 1044 SD MET A 65 -0.495 -14.952 4.180 1.00 0.00 S ATOM 1045 CE MET A 65 -2.207 -14.955 3.653 1.00 0.00 C ATOM 0 H MET A 65 0.549 -13.503 8.286 1.00 0.00 H new ATOM 0 HA MET A 65 2.086 -14.153 6.017 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.148 -12.144 6.475 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.509 -12.517 4.894 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.418 -14.816 6.571 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.647 -13.757 5.908 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.288 -15.446 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.812 -15.493 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.564 -13.928 3.571 1.00 0.00 H new ATOM 1055 N TRP A 66 2.977 -11.441 7.462 1.00 0.00 N ATOM 1056 CA TRP A 66 3.918 -10.338 7.413 1.00 0.00 C ATOM 1057 C TRP A 66 5.337 -10.873 7.490 1.00 0.00 C ATOM 1058 O TRP A 66 6.259 -10.337 6.874 1.00 0.00 O ATOM 1059 CB TRP A 66 3.665 -9.365 8.563 1.00 0.00 C ATOM 1060 CG TRP A 66 4.404 -8.071 8.426 1.00 0.00 C ATOM 1061 CD1 TRP A 66 3.880 -6.863 8.067 1.00 0.00 C ATOM 1062 CD2 TRP A 66 5.801 -7.854 8.646 1.00 0.00 C ATOM 1063 NE1 TRP A 66 4.868 -5.910 8.039 1.00 0.00 N ATOM 1064 CE2 TRP A 66 6.056 -6.492 8.394 1.00 0.00 C ATOM 1065 CE3 TRP A 66 6.864 -8.678 9.030 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 7.327 -5.938 8.512 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 8.125 -8.125 9.148 1.00 0.00 C ATOM 1068 CH2 TRP A 66 8.347 -6.767 8.889 1.00 0.00 C ATOM 0 H TRP A 66 2.597 -11.633 8.389 1.00 0.00 H new ATOM 0 HA TRP A 66 3.783 -9.804 6.473 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.596 -9.159 8.625 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.953 -9.841 9.501 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.840 -6.683 7.838 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.738 -4.928 7.794 1.00 0.00 H new ATOM 0 HE3 TRP A 66 6.702 -9.727 9.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 7.502 -4.891 8.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 8.953 -8.751 9.445 1.00 0.00 H new ATOM 0 HH2 TRP A 66 9.345 -6.366 8.989 1.00 0.00 H new ATOM 1079 N GLU A 67 5.499 -11.943 8.257 1.00 0.00 N ATOM 1080 CA GLU A 67 6.795 -12.575 8.430 1.00 0.00 C ATOM 1081 C GLU A 67 6.981 -13.726 7.446 1.00 0.00 C ATOM 1082 O GLU A 67 8.111 -14.116 7.151 1.00 0.00 O ATOM 1083 CB GLU A 67 6.948 -13.080 9.865 1.00 0.00 C ATOM 1084 CG GLU A 67 8.315 -12.800 10.467 1.00 0.00 C ATOM 1085 CD GLU A 67 8.469 -13.382 11.858 1.00 0.00 C ATOM 1086 OE1 GLU A 67 8.902 -14.549 11.969 1.00 0.00 O ATOM 1087 OE2 GLU A 67 8.157 -12.672 12.838 1.00 0.00 O ATOM 0 H GLU A 67 4.741 -12.392 8.772 1.00 0.00 H new ATOM 0 HA GLU A 67 7.565 -11.829 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.184 -12.615 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.765 -14.154 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.086 -13.213 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.476 -11.723 10.508 1.00 0.00 H new ATOM 1094 N ASN A 68 5.876 -14.287 6.950 1.00 0.00 N ATOM 1095 CA ASN A 68 5.971 -15.415 6.011 1.00 0.00 C ATOM 1096 C ASN A 68 5.458 -15.063 4.610 1.00 0.00 C ATOM 1097 O ASN A 68 5.891 -15.649 3.617 1.00 0.00 O ATOM 1098 CB ASN A 68 5.209 -16.629 6.557 1.00 0.00 C ATOM 1099 CG ASN A 68 3.701 -16.441 6.536 1.00 0.00 C ATOM 1100 OD1 ASN A 68 3.124 -16.053 5.521 1.00 0.00 O ATOM 1101 ND2 ASN A 68 3.056 -16.724 7.661 1.00 0.00 N ATOM 0 H ASN A 68 4.926 -13.991 7.173 1.00 0.00 H new ATOM 0 HA ASN A 68 7.029 -15.657 5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.468 -17.509 5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.531 -16.824 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.042 -16.623 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.574 -17.043 8.480 1.00 0.00 H new ATOM 1108 N ALA A 69 4.529 -14.125 4.544 1.00 0.00 N ATOM 1109 CA ALA A 69 3.931 -13.701 3.279 1.00 0.00 C ATOM 1110 C ALA A 69 4.408 -12.307 2.877 1.00 0.00 C ATOM 1111 O ALA A 69 4.802 -11.514 3.731 1.00 0.00 O ATOM 1112 CB ALA A 69 2.415 -13.747 3.369 1.00 0.00 C ATOM 0 H ALA A 69 4.165 -13.634 5.361 1.00 0.00 H new ATOM 0 HA ALA A 69 4.255 -14.396 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.984 -13.429 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.094 -14.765 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.077 -13.080 4.162 1.00 0.00 H new ATOM 1118 N LYS A 70 4.386 -12.003 1.575 1.00 0.00 N ATOM 1119 CA LYS A 70 4.830 -10.691 1.110 1.00 0.00 C ATOM 1120 C LYS A 70 4.108 -9.616 1.918 1.00 0.00 C ATOM 1121 O LYS A 70 2.936 -9.324 1.711 1.00 0.00 O ATOM 1122 CB LYS A 70 4.551 -10.513 -0.384 1.00 0.00 C ATOM 1123 CG LYS A 70 5.810 -10.457 -1.237 1.00 0.00 C ATOM 1124 CD LYS A 70 6.680 -11.690 -1.039 1.00 0.00 C ATOM 1125 CE LYS A 70 8.011 -11.342 -0.390 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.199 -12.051 0.905 1.00 0.00 N ATOM 0 H LYS A 70 4.072 -12.636 0.839 1.00 0.00 H new ATOM 0 HA LYS A 70 5.907 -10.604 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.925 -11.336 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.981 -9.596 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.534 -10.372 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.382 -9.564 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.151 -12.413 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.859 -12.168 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.824 -11.602 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.065 -10.266 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.212 -12.233 1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.833 -11.462 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.684 -12.954 0.884 1.00 0.00 H new ATOM 1140 N LYS A 71 4.827 -9.093 2.888 1.00 0.00 N ATOM 1141 CA LYS A 71 4.306 -8.111 3.823 1.00 0.00 C ATOM 1142 C LYS A 71 4.377 -6.675 3.318 1.00 0.00 C ATOM 1143 O LYS A 71 4.859 -6.406 2.218 1.00 0.00 O ATOM 1144 CB LYS A 71 4.982 -8.290 5.170 1.00 0.00 C ATOM 1145 CG LYS A 71 6.346 -7.645 5.309 1.00 0.00 C ATOM 1146 CD LYS A 71 7.408 -8.381 4.507 1.00 0.00 C ATOM 1147 CE LYS A 71 7.600 -7.763 3.131 1.00 0.00 C ATOM 1148 NZ LYS A 71 8.464 -8.607 2.259 1.00 0.00 N ATOM 0 H LYS A 71 5.803 -9.339 3.054 1.00 0.00 H new ATOM 0 HA LYS A 71 3.238 -8.297 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.328 -7.884 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.083 -9.357 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.293 -6.609 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.633 -7.627 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.353 -8.362 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.123 -9.428 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.629 -7.626 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.046 -6.774 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.570 -8.151 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.400 -8.717 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.026 -9.542 2.137 1.00 0.00 H new ATOM 1162 N ILE A 72 3.800 -5.770 4.107 1.00 0.00 N ATOM 1163 CA ILE A 72 3.688 -4.365 3.735 1.00 0.00 C ATOM 1164 C ILE A 72 5.027 -3.661 3.592 1.00 0.00 C ATOM 1165 O ILE A 72 5.966 -3.871 4.361 1.00 0.00 O ATOM 1166 CB ILE A 72 2.887 -3.582 4.789 1.00 0.00 C ATOM 1167 CG1 ILE A 72 3.518 -3.752 6.168 1.00 0.00 C ATOM 1168 CG2 ILE A 72 1.439 -4.031 4.817 1.00 0.00 C ATOM 1169 CD1 ILE A 72 3.064 -2.716 7.173 1.00 0.00 C ATOM 0 H ILE A 72 3.399 -5.991 5.018 1.00 0.00 H new ATOM 0 HA ILE A 72 3.188 -4.375 2.767 1.00 0.00 H new ATOM 0 HB ILE A 72 2.911 -2.527 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.278 -4.745 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.602 -3.701 6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.896 -3.461 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.987 -3.863 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.392 -5.092 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.553 -2.899 8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.328 -1.721 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.983 -2.781 7.299 1.00 0.00 H new ATOM 1181 N GLU A 73 5.067 -2.806 2.576 1.00 0.00 N ATOM 1182 CA GLU A 73 6.228 -2.002 2.236 1.00 0.00 C ATOM 1183 C GLU A 73 5.750 -0.814 1.407 1.00 0.00 C ATOM 1184 O GLU A 73 4.673 -0.873 0.814 1.00 0.00 O ATOM 1185 CB GLU A 73 7.241 -2.839 1.450 1.00 0.00 C ATOM 1186 CG GLU A 73 7.532 -4.191 2.083 1.00 0.00 C ATOM 1187 CD GLU A 73 8.469 -5.041 1.246 1.00 0.00 C ATOM 1188 OE1 GLU A 73 8.286 -5.087 0.011 1.00 0.00 O ATOM 1189 OE2 GLU A 73 9.387 -5.660 1.825 1.00 0.00 O ATOM 0 H GLU A 73 4.274 -2.652 1.954 1.00 0.00 H new ATOM 0 HA GLU A 73 6.724 -1.649 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.866 -2.994 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.172 -2.280 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.970 -4.039 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.595 -4.728 2.230 1.00 0.00 H new ATOM 1196 N VAL A 74 6.519 0.268 1.366 1.00 0.00 N ATOM 1197 CA VAL A 74 6.104 1.438 0.603 1.00 0.00 C ATOM 1198 C VAL A 74 6.824 1.500 -0.742 1.00 0.00 C ATOM 1199 O VAL A 74 7.983 1.103 -0.859 1.00 0.00 O ATOM 1200 CB VAL A 74 6.339 2.743 1.398 1.00 0.00 C ATOM 1201 CG1 VAL A 74 7.705 2.734 2.063 1.00 0.00 C ATOM 1202 CG2 VAL A 74 6.177 3.967 0.504 1.00 0.00 C ATOM 0 H VAL A 74 7.416 0.360 1.842 1.00 0.00 H new ATOM 0 HA VAL A 74 5.034 1.342 0.418 1.00 0.00 H new ATOM 0 HB VAL A 74 5.582 2.799 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.847 3.663 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.770 1.889 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.480 2.644 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.348 4.870 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.900 3.921 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.168 3.986 0.093 1.00 0.00 H new ATOM 1212 N GLU A 75 6.117 1.988 -1.758 1.00 0.00 N ATOM 1213 CA GLU A 75 6.675 2.088 -3.102 1.00 0.00 C ATOM 1214 C GLU A 75 6.561 3.508 -3.652 1.00 0.00 C ATOM 1215 O GLU A 75 7.567 4.198 -3.820 1.00 0.00 O ATOM 1216 CB GLU A 75 5.956 1.111 -4.034 1.00 0.00 C ATOM 1217 CG GLU A 75 6.852 0.530 -5.116 1.00 0.00 C ATOM 1218 CD GLU A 75 6.951 -0.981 -5.044 1.00 0.00 C ATOM 1219 OE1 GLU A 75 5.989 -1.617 -4.563 1.00 0.00 O ATOM 1220 OE2 GLU A 75 7.990 -1.530 -5.470 1.00 0.00 O ATOM 0 H GLU A 75 5.156 2.320 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 75 7.734 1.834 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.541 0.296 -3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.117 1.622 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.468 0.819 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.849 0.960 -5.026 1.00 0.00 H new ATOM 1227 N PHE A 76 5.336 3.937 -3.940 1.00 0.00 N ATOM 1228 CA PHE A 76 5.105 5.272 -4.480 1.00 0.00 C ATOM 1229 C PHE A 76 3.881 5.922 -3.842 1.00 0.00 C ATOM 1230 O PHE A 76 2.991 5.238 -3.341 1.00 0.00 O ATOM 1231 CB PHE A 76 4.925 5.204 -5.998 1.00 0.00 C ATOM 1232 CG PHE A 76 3.981 4.125 -6.445 1.00 0.00 C ATOM 1233 CD1 PHE A 76 4.419 2.818 -6.587 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.655 4.419 -6.724 1.00 0.00 C ATOM 1235 CE1 PHE A 76 3.553 1.824 -6.999 1.00 0.00 C ATOM 1236 CE2 PHE A 76 1.784 3.428 -7.135 1.00 0.00 C ATOM 1237 CZ PHE A 76 2.233 2.129 -7.274 1.00 0.00 C ATOM 0 H PHE A 76 4.491 3.381 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 76 5.977 5.883 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.558 6.166 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.897 5.040 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.449 2.574 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.299 5.433 -6.619 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.907 0.809 -7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.753 3.669 -7.347 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.554 1.353 -7.597 1.00 0.00 H new ATOM 1247 N ASP A 77 3.848 7.251 -3.870 1.00 0.00 N ATOM 1248 CA ASP A 77 2.736 8.003 -3.301 1.00 0.00 C ATOM 1249 C ASP A 77 1.823 8.537 -4.401 1.00 0.00 C ATOM 1250 O ASP A 77 2.236 8.668 -5.553 1.00 0.00 O ATOM 1251 CB ASP A 77 3.264 9.162 -2.451 1.00 0.00 C ATOM 1252 CG ASP A 77 3.345 8.810 -0.977 1.00 0.00 C ATOM 1253 OD1 ASP A 77 3.230 7.611 -0.646 1.00 0.00 O ATOM 1254 OD2 ASP A 77 3.525 9.734 -0.157 1.00 0.00 O ATOM 0 H ASP A 77 4.580 7.830 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 77 2.157 7.330 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.253 9.449 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.615 10.028 -2.580 1.00 0.00 H new ATOM 1259 N LYS A 78 0.582 8.840 -4.038 1.00 0.00 N ATOM 1260 CA LYS A 78 -0.389 9.356 -4.996 1.00 0.00 C ATOM 1261 C LYS A 78 -0.298 10.876 -5.104 1.00 0.00 C ATOM 1262 O LYS A 78 -0.387 11.436 -6.197 1.00 0.00 O ATOM 1263 CB LYS A 78 -1.805 8.947 -4.587 1.00 0.00 C ATOM 1264 CG LYS A 78 -2.860 9.286 -5.629 1.00 0.00 C ATOM 1265 CD LYS A 78 -2.663 8.482 -6.904 1.00 0.00 C ATOM 1266 CE LYS A 78 -2.811 9.353 -8.141 1.00 0.00 C ATOM 1267 NZ LYS A 78 -2.798 8.546 -9.392 1.00 0.00 N ATOM 0 H LYS A 78 0.225 8.737 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.160 8.928 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.824 7.874 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.060 9.440 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.852 9.088 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.817 10.351 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.674 8.023 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.390 7.671 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.743 9.914 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.001 10.082 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.901 9.176 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.898 8.030 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.586 7.867 -9.375 1.00 0.00 H new ATOM 1281 N GLY A 79 -0.122 11.537 -3.965 1.00 0.00 N ATOM 1282 CA GLY A 79 -0.024 12.985 -3.955 1.00 0.00 C ATOM 1283 C GLY A 79 -1.274 13.649 -3.413 1.00 0.00 C ATOM 1284 O GLY A 79 -1.578 14.792 -3.755 1.00 0.00 O ATOM 0 H GLY A 79 -0.045 11.096 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.833 13.284 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.161 13.340 -4.969 1.00 0.00 H new ATOM 1288 N GLN A 80 -2.000 12.932 -2.562 1.00 0.00 N ATOM 1289 CA GLN A 80 -3.225 13.455 -1.968 1.00 0.00 C ATOM 1290 C GLN A 80 -3.099 13.529 -0.448 1.00 0.00 C ATOM 1291 O GLN A 80 -3.544 14.491 0.177 1.00 0.00 O ATOM 1292 CB GLN A 80 -4.418 12.576 -2.349 1.00 0.00 C ATOM 1293 CG GLN A 80 -4.734 12.591 -3.836 1.00 0.00 C ATOM 1294 CD GLN A 80 -6.194 12.302 -4.123 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -7.068 13.126 -3.853 1.00 0.00 O ATOM 1296 NE2 GLN A 80 -6.467 11.124 -4.673 1.00 0.00 N ATOM 0 H GLN A 80 -1.761 11.985 -2.268 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.387 14.461 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.217 11.551 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.296 12.910 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.472 13.565 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.114 11.852 -4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.712 10.471 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.432 10.873 -4.888 1.00 0.00 H new ATOM 1305 N ARG A 81 -2.485 12.502 0.134 1.00 0.00 N ATOM 1306 CA ARG A 81 -2.284 12.428 1.580 1.00 0.00 C ATOM 1307 C ARG A 81 -3.555 11.958 2.292 1.00 0.00 C ATOM 1308 O ARG A 81 -3.525 10.979 3.038 1.00 0.00 O ATOM 1309 CB ARG A 81 -1.772 13.779 2.130 1.00 0.00 C ATOM 1310 CG ARG A 81 -2.785 14.598 2.924 1.00 0.00 C ATOM 1311 CD ARG A 81 -2.997 14.031 4.319 1.00 0.00 C ATOM 1312 NE ARG A 81 -2.363 14.857 5.345 1.00 0.00 N ATOM 1313 CZ ARG A 81 -2.724 16.108 5.617 1.00 0.00 C ATOM 1314 NH1 ARG A 81 -3.721 16.679 4.950 1.00 0.00 N ATOM 1315 NH2 ARG A 81 -2.090 16.792 6.560 1.00 0.00 N ATOM 0 H ARG A 81 -2.115 11.702 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.515 11.682 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.909 13.587 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.422 14.382 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.440 15.629 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.735 14.617 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.065 13.956 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.592 13.020 4.365 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.599 14.450 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.214 16.158 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.993 17.639 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.325 16.359 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.367 17.751 6.768 1.00 0.00 H new ATOM 1329 N THR A 82 -4.667 12.646 2.059 1.00 0.00 N ATOM 1330 CA THR A 82 -5.933 12.275 2.680 1.00 0.00 C ATOM 1331 C THR A 82 -6.905 11.710 1.649 1.00 0.00 C ATOM 1332 O THR A 82 -7.258 12.386 0.683 1.00 0.00 O ATOM 1333 CB THR A 82 -6.550 13.482 3.386 1.00 0.00 C ATOM 1334 OG1 THR A 82 -7.903 13.230 3.724 1.00 0.00 O ATOM 1335 CG2 THR A 82 -6.512 14.749 2.557 1.00 0.00 C ATOM 0 H THR A 82 -4.718 13.460 1.447 1.00 0.00 H new ATOM 0 HA THR A 82 -5.734 11.498 3.418 1.00 0.00 H new ATOM 0 HB THR A 82 -5.942 13.634 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.279 14.014 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.966 15.565 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.477 15.000 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.065 14.594 1.631 1.00 0.00 H new ATOM 1343 N ASP A 83 -7.336 10.469 1.858 1.00 0.00 N ATOM 1344 CA ASP A 83 -8.270 9.826 0.939 1.00 0.00 C ATOM 1345 C ASP A 83 -9.606 9.534 1.621 1.00 0.00 C ATOM 1346 O ASP A 83 -10.665 9.892 1.107 1.00 0.00 O ATOM 1347 CB ASP A 83 -7.666 8.530 0.391 1.00 0.00 C ATOM 1348 CG ASP A 83 -7.329 8.629 -1.084 1.00 0.00 C ATOM 1349 OD1 ASP A 83 -8.267 8.631 -1.909 1.00 0.00 O ATOM 1350 OD2 ASP A 83 -6.128 8.705 -1.414 1.00 0.00 O ATOM 0 H ASP A 83 -7.055 9.892 2.651 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.454 10.513 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.763 8.287 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.368 7.711 0.547 1.00 0.00 H new ATOM 1355 N LYS A 84 -9.548 8.878 2.778 1.00 0.00 N ATOM 1356 CA LYS A 84 -10.757 8.538 3.522 1.00 0.00 C ATOM 1357 C LYS A 84 -10.862 9.354 4.806 1.00 0.00 C ATOM 1358 O LYS A 84 -11.794 10.141 4.978 1.00 0.00 O ATOM 1359 CB LYS A 84 -10.774 7.045 3.853 1.00 0.00 C ATOM 1360 CG LYS A 84 -12.034 6.596 4.576 1.00 0.00 C ATOM 1361 CD LYS A 84 -12.391 5.158 4.232 1.00 0.00 C ATOM 1362 CE LYS A 84 -13.503 5.091 3.195 1.00 0.00 C ATOM 1363 NZ LYS A 84 -12.997 4.637 1.870 1.00 0.00 N ATOM 0 H LYS A 84 -8.680 8.573 3.219 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.615 8.777 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.673 6.475 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.907 6.808 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.890 6.689 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.862 7.252 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.508 4.644 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.703 4.634 5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.281 4.410 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.963 6.074 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.784 4.604 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.273 5.301 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.581 3.689 1.964 1.00 0.00 H new ATOM 1377 N TYR A 85 -9.904 9.158 5.707 1.00 0.00 N ATOM 1378 CA TYR A 85 -9.895 9.875 6.977 1.00 0.00 C ATOM 1379 C TYR A 85 -8.863 10.996 6.961 1.00 0.00 C ATOM 1380 O TYR A 85 -9.078 12.060 7.543 1.00 0.00 O ATOM 1381 CB TYR A 85 -9.603 8.911 8.128 1.00 0.00 C ATOM 1382 CG TYR A 85 -10.655 7.838 8.300 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -11.860 8.115 8.934 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -10.444 6.549 7.827 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -12.824 7.138 9.093 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -11.403 5.566 7.982 1.00 0.00 C ATOM 1387 CZ TYR A 85 -12.591 5.866 8.614 1.00 0.00 C ATOM 1388 OH TYR A 85 -13.549 4.889 8.770 1.00 0.00 O ATOM 0 H TYR A 85 -9.126 8.510 5.581 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.881 10.317 7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.637 8.437 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.520 9.479 9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.046 9.111 9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.515 6.311 7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.755 7.369 9.590 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.223 4.568 7.610 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.229 4.051 8.376 1.00 0.00 H new ATOM 1398 N GLY A 86 -7.744 10.757 6.285 1.00 0.00 N ATOM 1399 CA GLY A 86 -6.703 11.762 6.202 1.00 0.00 C ATOM 1400 C GLY A 86 -5.474 11.410 7.015 1.00 0.00 C ATOM 1401 O GLY A 86 -4.997 12.222 7.808 1.00 0.00 O ATOM 0 H GLY A 86 -7.541 9.886 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.416 11.895 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.099 12.717 6.547 1.00 0.00 H new ATOM 1405 N ARG A 87 -4.955 10.202 6.819 1.00 0.00 N ATOM 1406 CA ARG A 87 -3.770 9.764 7.545 1.00 0.00 C ATOM 1407 C ARG A 87 -2.725 9.184 6.597 1.00 0.00 C ATOM 1408 O ARG A 87 -2.794 8.015 6.219 1.00 0.00 O ATOM 1409 CB ARG A 87 -4.151 8.721 8.597 1.00 0.00 C ATOM 1410 CG ARG A 87 -5.252 9.182 9.538 1.00 0.00 C ATOM 1411 CD ARG A 87 -5.815 8.023 10.347 1.00 0.00 C ATOM 1412 NE ARG A 87 -6.668 8.484 11.440 1.00 0.00 N ATOM 1413 CZ ARG A 87 -6.203 8.979 12.585 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -4.896 9.072 12.793 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -7.047 9.381 13.525 1.00 0.00 N ATOM 0 H ARG A 87 -5.334 9.514 6.168 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.339 10.635 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.473 7.809 8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.267 8.467 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.860 9.942 10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.052 9.648 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.388 7.367 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.994 7.431 10.752 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.679 8.423 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.242 8.763 12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.545 9.452 13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.053 9.311 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.690 9.760 14.402 1.00 0.00 H new ATOM 1429 N GLY A 88 -1.749 10.011 6.231 1.00 0.00 N ATOM 1430 CA GLY A 88 -0.684 9.574 5.340 1.00 0.00 C ATOM 1431 C GLY A 88 -1.199 8.955 4.054 1.00 0.00 C ATOM 1432 O GLY A 88 -2.390 8.672 3.925 1.00 0.00 O ATOM 0 H GLY A 88 -1.676 10.981 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.049 10.426 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.058 8.849 5.860 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.300 8.752 3.093 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.675 8.173 1.809 1.00 0.00 C ATOM 1438 C LEU A 89 0.217 6.989 1.428 1.00 0.00 C ATOM 1439 O LEU A 89 1.302 7.173 0.879 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.613 9.240 0.714 1.00 0.00 C ATOM 1441 CG LEU A 89 0.727 9.972 0.584 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.896 10.527 -0.820 1.00 0.00 C ATOM 1443 CD2 LEU A 89 0.836 11.088 1.614 1.00 0.00 C ATOM 0 H LEU A 89 0.690 8.980 3.181 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.695 7.801 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.845 8.770 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.393 9.977 0.904 1.00 0.00 H new ATOM 0 HG LEU A 89 1.526 9.255 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.853 11.044 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.868 9.709 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.088 11.227 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.795 11.593 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.029 11.804 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.762 10.666 2.616 1.00 0.00 H new ATOM 1455 N ALA A 90 -0.257 5.773 1.686 1.00 0.00 N ATOM 1456 CA ALA A 90 0.497 4.576 1.326 1.00 0.00 C ATOM 1457 C ALA A 90 -0.371 3.326 1.385 1.00 0.00 C ATOM 1458 O ALA A 90 -1.316 3.246 2.168 1.00 0.00 O ATOM 1459 CB ALA A 90 1.752 4.416 2.173 1.00 0.00 C ATOM 0 H ALA A 90 -1.152 5.591 2.139 1.00 0.00 H new ATOM 0 HA ALA A 90 0.819 4.706 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.282 3.513 1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.400 5.281 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.474 4.339 3.224 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.062 2.371 0.511 1.00 0.00 N ATOM 1466 CA TYR A 91 -0.826 1.137 0.406 1.00 0.00 C ATOM 1467 C TYR A 91 -0.244 0.033 1.277 1.00 0.00 C ATOM 1468 O TYR A 91 0.970 -0.164 1.329 1.00 0.00 O ATOM 1469 CB TYR A 91 -0.876 0.691 -1.065 1.00 0.00 C ATOM 1470 CG TYR A 91 -0.764 1.841 -2.054 1.00 0.00 C ATOM 1471 CD1 TYR A 91 -1.197 3.117 -1.713 1.00 0.00 C ATOM 1472 CD2 TYR A 91 -0.220 1.656 -3.319 1.00 0.00 C ATOM 1473 CE1 TYR A 91 -1.098 4.172 -2.590 1.00 0.00 C ATOM 1474 CE2 TYR A 91 -0.116 2.710 -4.210 1.00 0.00 C ATOM 1475 CZ TYR A 91 -0.556 3.967 -3.840 1.00 0.00 C ATOM 1476 OH TYR A 91 -0.451 5.017 -4.724 1.00 0.00 O ATOM 0 H TYR A 91 0.721 2.433 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.836 1.330 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.067 -0.016 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.811 0.159 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.622 3.284 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.127 0.676 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.443 5.154 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.307 2.551 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 91 0.136 4.762 -5.466 1.00 0.00 H new ATOM 1486 N ILE A 92 -1.130 -0.686 1.956 1.00 0.00 N ATOM 1487 CA ILE A 92 -0.731 -1.781 2.828 1.00 0.00 C ATOM 1488 C ILE A 92 -0.676 -3.090 2.044 1.00 0.00 C ATOM 1489 O ILE A 92 -1.710 -3.634 1.656 1.00 0.00 O ATOM 1490 CB ILE A 92 -1.718 -1.916 4.017 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.553 -0.731 4.969 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -1.528 -3.230 4.770 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -2.067 0.575 4.407 1.00 0.00 C ATOM 0 H ILE A 92 -2.137 -0.527 1.918 1.00 0.00 H new ATOM 0 HA ILE A 92 0.262 -1.563 3.221 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.729 -1.917 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.078 -0.948 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.497 -0.619 5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.239 -3.283 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.696 -4.066 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.513 -3.281 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.917 1.370 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.525 0.816 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.130 0.482 4.185 1.00 0.00 H new ATOM 1505 N TYR A 93 0.533 -3.597 1.823 1.00 0.00 N ATOM 1506 CA TYR A 93 0.702 -4.849 1.094 1.00 0.00 C ATOM 1507 C TYR A 93 0.645 -6.039 2.049 1.00 0.00 C ATOM 1508 O TYR A 93 1.483 -6.174 2.940 1.00 0.00 O ATOM 1509 CB TYR A 93 2.028 -4.848 0.331 1.00 0.00 C ATOM 1510 CG TYR A 93 1.920 -4.291 -1.071 1.00 0.00 C ATOM 1511 CD1 TYR A 93 1.253 -3.098 -1.315 1.00 0.00 C ATOM 1512 CD2 TYR A 93 2.486 -4.959 -2.150 1.00 0.00 C ATOM 1513 CE1 TYR A 93 1.152 -2.585 -2.595 1.00 0.00 C ATOM 1514 CE2 TYR A 93 2.390 -4.454 -3.432 1.00 0.00 C ATOM 1515 CZ TYR A 93 1.722 -3.267 -3.650 1.00 0.00 C ATOM 1516 OH TYR A 93 1.625 -2.760 -4.924 1.00 0.00 O ATOM 0 H TYR A 93 1.403 -3.165 2.135 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.114 -4.940 0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.759 -4.263 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.408 -5.868 0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.806 -2.562 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.010 -5.889 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.630 -1.656 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.836 -4.986 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 93 2.080 -3.360 -5.551 1.00 0.00 H new ATOM 1526 N ALA A 94 -0.348 -6.900 1.854 1.00 0.00 N ATOM 1527 CA ALA A 94 -0.515 -8.079 2.697 1.00 0.00 C ATOM 1528 C ALA A 94 -0.279 -9.355 1.900 1.00 0.00 C ATOM 1529 O ALA A 94 -0.954 -9.606 0.902 1.00 0.00 O ATOM 1530 CB ALA A 94 -1.904 -8.090 3.317 1.00 0.00 C ATOM 0 H ALA A 94 -1.049 -6.804 1.120 1.00 0.00 H new ATOM 0 HA ALA A 94 0.226 -8.036 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.016 -8.975 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.038 -7.195 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.655 -8.108 2.527 1.00 0.00 H new ATOM 1536 N ASP A 95 0.690 -10.152 2.341 1.00 0.00 N ATOM 1537 CA ASP A 95 1.032 -11.403 1.667 1.00 0.00 C ATOM 1538 C ASP A 95 1.101 -11.204 0.155 1.00 0.00 C ATOM 1539 O ASP A 95 0.580 -12.009 -0.616 1.00 0.00 O ATOM 1540 CB ASP A 95 0.017 -12.494 2.011 1.00 0.00 C ATOM 1541 CG ASP A 95 -1.350 -12.237 1.404 1.00 0.00 C ATOM 1542 OD1 ASP A 95 -2.151 -11.511 2.030 1.00 0.00 O ATOM 1543 OD2 ASP A 95 -1.619 -12.765 0.303 1.00 0.00 O ATOM 0 H ASP A 95 1.255 -9.953 3.166 1.00 0.00 H new ATOM 0 HA ASP A 95 2.015 -11.718 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.391 -13.456 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.079 -12.566 3.094 1.00 0.00 H new ATOM 1548 N GLY A 96 1.744 -10.116 -0.255 1.00 0.00 N ATOM 1549 CA GLY A 96 1.871 -9.812 -1.672 1.00 0.00 C ATOM 1550 C GLY A 96 0.538 -9.824 -2.402 1.00 0.00 C ATOM 1551 O GLY A 96 0.499 -9.922 -3.629 1.00 0.00 O ATOM 0 H GLY A 96 2.181 -9.437 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.334 -8.832 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.540 -10.537 -2.135 1.00 0.00 H new