USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 564 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 31 SER OG : rot 100:sc= 0.46 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.354 K(o=0.81,f=-3.2!) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0.979 (180deg=0.918) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 1.61 (180deg=0.5) USER MOD Single : A 22 MET CE :methyl -179:sc= -0.378 (180deg=-0.382) USER MOD Single : A 26 GLN : amide:sc= 1.2 K(o=1.2,f=-6.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.02) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 82:sc= 0.115 USER MOD Single : A 42 SER OG : rot -30:sc= 0.702 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.18 K(o=1.2,f=-6.8!) USER MOD Single : A 53 HIS : no HE2:sc= -0.336 X(o=-0.34,f=-0.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 1.02 K(o=1,f=-0.47) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.742 K(o=0.74,f=-4!) USER MOD Single : A 73 THR OG1 : rot 63:sc= 1.73 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -69:sc= 0.0374 USER MOD ----------------------------------------------------------------- ATOM 91 N ILE A 7 11.692 -5.808 -15.174 1.00 0.00 N ATOM 92 CA ILE A 7 11.842 -5.880 -13.713 1.00 0.00 C ATOM 93 C ILE A 7 13.234 -5.406 -13.271 1.00 0.00 C ATOM 94 O ILE A 7 14.240 -5.677 -13.932 1.00 0.00 O ATOM 95 CB ILE A 7 11.516 -7.307 -13.217 1.00 0.00 C ATOM 96 CG1 ILE A 7 10.001 -7.586 -13.354 1.00 0.00 C ATOM 97 CG2 ILE A 7 11.933 -7.565 -11.757 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.675 -9.060 -13.594 1.00 0.00 C ATOM 0 HA ILE A 7 11.128 -5.199 -13.250 1.00 0.00 H new ATOM 0 HB ILE A 7 12.098 -7.980 -13.847 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.494 -7.252 -12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.603 -6.995 -14.179 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.673 -8.586 -11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.009 -7.424 -11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.413 -6.867 -11.101 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.596 -9.184 -13.681 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.154 -9.393 -14.515 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.043 -9.655 -12.758 1.00 0.00 H new ATOM 110 N VAL A 8 13.283 -4.738 -12.116 1.00 0.00 N ATOM 111 CA VAL A 8 14.497 -4.265 -11.436 1.00 0.00 C ATOM 112 C VAL A 8 14.468 -4.633 -9.948 1.00 0.00 C ATOM 113 O VAL A 8 13.488 -4.375 -9.248 1.00 0.00 O ATOM 114 CB VAL A 8 14.700 -2.747 -11.633 1.00 0.00 C ATOM 115 CG1 VAL A 8 15.093 -2.427 -13.080 1.00 0.00 C ATOM 116 CG2 VAL A 8 13.494 -1.872 -11.261 1.00 0.00 C ATOM 0 H VAL A 8 12.435 -4.499 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 8 15.350 -4.769 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 8 15.501 -2.499 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.230 -1.351 -13.191 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.024 -2.938 -13.326 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.305 -2.764 -13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.737 -0.824 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.638 -2.152 -11.875 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.249 -2.018 -10.209 1.00 0.00 H new ATOM 126 N LYS A 9 15.549 -5.240 -9.446 1.00 0.00 N ATOM 127 CA LYS A 9 15.743 -5.522 -8.015 1.00 0.00 C ATOM 128 C LYS A 9 16.068 -4.232 -7.256 1.00 0.00 C ATOM 129 O LYS A 9 16.795 -3.384 -7.775 1.00 0.00 O ATOM 130 CB LYS A 9 16.842 -6.586 -7.848 1.00 0.00 C ATOM 131 CG LYS A 9 16.743 -7.342 -6.514 1.00 0.00 C ATOM 132 CD LYS A 9 17.867 -8.380 -6.380 1.00 0.00 C ATOM 133 CE LYS A 9 17.543 -9.429 -5.304 1.00 0.00 C ATOM 134 NZ LYS A 9 16.817 -10.603 -5.863 1.00 0.00 N ATOM 0 H LYS A 9 16.325 -5.554 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 9 14.822 -5.919 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.778 -7.299 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.819 -6.107 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.797 -6.634 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.775 -7.839 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.021 -8.876 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.800 -7.876 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.469 -9.765 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.939 -8.970 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.486 -11.209 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.001 -10.275 -6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.457 -11.146 -6.477 1.00 0.00 H new ATOM 148 N VAL A 10 15.571 -4.097 -6.032 1.00 0.00 N ATOM 149 CA VAL A 10 15.813 -2.949 -5.138 1.00 0.00 C ATOM 150 C VAL A 10 16.028 -3.408 -3.696 1.00 0.00 C ATOM 151 O VAL A 10 15.488 -4.433 -3.276 1.00 0.00 O ATOM 152 CB VAL A 10 14.682 -1.898 -5.211 1.00 0.00 C ATOM 153 CG1 VAL A 10 14.543 -1.306 -6.617 1.00 0.00 C ATOM 154 CG2 VAL A 10 13.313 -2.426 -4.764 1.00 0.00 C ATOM 0 H VAL A 10 14.967 -4.803 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 10 16.726 -2.467 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 10 14.987 -1.123 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.737 -0.572 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.477 -0.822 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.315 -2.102 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.572 -1.630 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.019 -3.260 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.373 -2.763 -3.729 1.00 0.00 H new ATOM 164 N ALA A 11 16.801 -2.635 -2.931 1.00 0.00 N ATOM 165 CA ALA A 11 16.977 -2.807 -1.487 1.00 0.00 C ATOM 166 C ALA A 11 16.340 -1.627 -0.737 1.00 0.00 C ATOM 167 O ALA A 11 16.609 -0.474 -1.071 1.00 0.00 O ATOM 168 CB ALA A 11 18.468 -2.948 -1.166 1.00 0.00 C ATOM 0 H ALA A 11 17.336 -1.852 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 11 16.474 -3.716 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.598 -3.076 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.872 -3.817 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.997 -2.052 -1.491 1.00 0.00 H new ATOM 174 N ILE A 12 15.494 -1.900 0.257 1.00 0.00 N ATOM 175 CA ILE A 12 14.651 -0.892 0.915 1.00 0.00 C ATOM 176 C ILE A 12 14.994 -0.783 2.402 1.00 0.00 C ATOM 177 O ILE A 12 14.909 -1.756 3.151 1.00 0.00 O ATOM 178 CB ILE A 12 13.154 -1.189 0.691 1.00 0.00 C ATOM 179 CG1 ILE A 12 12.837 -1.357 -0.814 1.00 0.00 C ATOM 180 CG2 ILE A 12 12.291 -0.060 1.297 1.00 0.00 C ATOM 181 CD1 ILE A 12 11.466 -1.975 -1.053 1.00 0.00 C ATOM 0 H ILE A 12 15.371 -2.839 0.635 1.00 0.00 H new ATOM 0 HA ILE A 12 14.858 0.077 0.460 1.00 0.00 H new ATOM 0 HB ILE A 12 12.916 -2.127 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.884 -0.384 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.600 -1.983 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.236 -0.280 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.485 0.011 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.543 0.887 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.292 -2.071 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.425 -2.960 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.698 -1.336 -0.617 1.00 0.00 H new ATOM 193 N GLU A 13 15.358 0.421 2.827 1.00 0.00 N ATOM 194 CA GLU A 13 15.634 0.779 4.222 1.00 0.00 C ATOM 195 C GLU A 13 14.354 1.079 5.028 1.00 0.00 C ATOM 196 O GLU A 13 13.429 1.737 4.539 1.00 0.00 O ATOM 197 CB GLU A 13 16.573 1.999 4.268 1.00 0.00 C ATOM 198 CG GLU A 13 18.007 1.713 3.792 1.00 0.00 C ATOM 199 CD GLU A 13 18.873 0.945 4.815 1.00 0.00 C ATOM 200 OE1 GLU A 13 20.095 0.806 4.570 1.00 0.00 O ATOM 201 OE2 GLU A 13 18.360 0.490 5.866 1.00 0.00 O ATOM 0 H GLU A 13 15.475 1.208 2.189 1.00 0.00 H new ATOM 0 HA GLU A 13 16.110 -0.085 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.150 2.792 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 13 16.610 2.375 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.963 1.139 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.495 2.659 3.557 1.00 0.00 H new ATOM 208 N TRP A 14 14.344 0.644 6.293 1.00 0.00 N ATOM 209 CA TRP A 14 13.352 0.972 7.326 1.00 0.00 C ATOM 210 C TRP A 14 13.961 0.726 8.729 1.00 0.00 C ATOM 211 O TRP A 14 14.689 -0.260 8.895 1.00 0.00 O ATOM 212 CB TRP A 14 12.088 0.123 7.121 1.00 0.00 C ATOM 213 CG TRP A 14 10.966 0.388 8.079 1.00 0.00 C ATOM 214 CD1 TRP A 14 10.723 -0.315 9.207 1.00 0.00 C ATOM 215 CD2 TRP A 14 9.993 1.479 8.078 1.00 0.00 C ATOM 216 NE1 TRP A 14 9.646 0.229 9.878 1.00 0.00 N ATOM 217 CE2 TRP A 14 9.173 1.357 9.241 1.00 0.00 C ATOM 218 CE3 TRP A 14 9.775 2.605 7.256 1.00 0.00 C ATOM 219 CZ2 TRP A 14 8.170 2.285 9.554 1.00 0.00 C ATOM 220 CZ3 TRP A 14 8.774 3.546 7.563 1.00 0.00 C ATOM 221 CH2 TRP A 14 7.967 3.386 8.704 1.00 0.00 C ATOM 0 H TRP A 14 15.069 0.018 6.644 1.00 0.00 H new ATOM 0 HA TRP A 14 13.076 2.024 7.248 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.722 0.287 6.107 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.363 -0.929 7.194 1.00 0.00 H new ATOM 0 HD1 TRP A 14 11.288 -1.175 9.535 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.250 -0.155 10.736 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.386 2.747 6.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.561 2.156 10.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.624 4.398 6.917 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.194 4.107 8.926 1.00 0.00 H new ATOM 232 N PRO A 15 13.724 1.588 9.740 1.00 0.00 N ATOM 233 CA PRO A 15 14.375 1.485 11.051 1.00 0.00 C ATOM 234 C PRO A 15 13.931 0.249 11.853 1.00 0.00 C ATOM 235 O PRO A 15 12.804 -0.234 11.729 1.00 0.00 O ATOM 236 CB PRO A 15 14.050 2.794 11.780 1.00 0.00 C ATOM 237 CG PRO A 15 12.731 3.233 11.149 1.00 0.00 C ATOM 238 CD PRO A 15 12.877 2.768 9.702 1.00 0.00 C ATOM 0 HA PRO A 15 15.450 1.347 10.933 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.950 2.641 12.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.832 3.539 11.635 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.874 2.769 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.590 4.312 11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.905 2.536 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.323 3.548 9.085 1.00 0.00 H new ATOM 246 N GLY A 16 14.831 -0.260 12.703 1.00 0.00 N ATOM 247 CA GLY A 16 14.597 -1.445 13.543 1.00 0.00 C ATOM 248 C GLY A 16 14.603 -2.789 12.794 1.00 0.00 C ATOM 249 O GLY A 16 14.235 -3.812 13.377 1.00 0.00 O ATOM 0 H GLY A 16 15.758 0.145 12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.361 -1.477 14.320 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.636 -1.331 14.045 1.00 0.00 H new ATOM 253 N ALA A 17 15.012 -2.804 11.520 1.00 0.00 N ATOM 254 CA ALA A 17 15.044 -3.980 10.648 1.00 0.00 C ATOM 255 C ALA A 17 16.212 -3.929 9.641 1.00 0.00 C ATOM 256 O ALA A 17 16.768 -2.866 9.351 1.00 0.00 O ATOM 257 CB ALA A 17 13.691 -4.088 9.928 1.00 0.00 C ATOM 0 H ALA A 17 15.343 -1.961 11.051 1.00 0.00 H new ATOM 0 HA ALA A 17 15.213 -4.868 11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.696 -4.959 9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.894 -4.192 10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.522 -3.189 9.335 1.00 0.00 H new ATOM 263 N TYR A 18 16.574 -5.092 9.091 1.00 0.00 N ATOM 264 CA TYR A 18 17.527 -5.214 7.980 1.00 0.00 C ATOM 265 C TYR A 18 16.925 -4.701 6.649 1.00 0.00 C ATOM 266 O TYR A 18 15.697 -4.723 6.495 1.00 0.00 O ATOM 267 CB TYR A 18 17.961 -6.682 7.849 1.00 0.00 C ATOM 268 CG TYR A 18 18.651 -7.240 9.081 1.00 0.00 C ATOM 269 CD1 TYR A 18 19.978 -6.868 9.371 1.00 0.00 C ATOM 270 CD2 TYR A 18 17.967 -8.126 9.940 1.00 0.00 C ATOM 271 CE1 TYR A 18 20.621 -7.374 10.517 1.00 0.00 C ATOM 272 CE2 TYR A 18 18.608 -8.635 11.087 1.00 0.00 C ATOM 273 CZ TYR A 18 19.938 -8.259 11.380 1.00 0.00 C ATOM 274 OH TYR A 18 20.566 -8.745 12.486 1.00 0.00 O ATOM 0 H TYR A 18 16.208 -5.990 9.409 1.00 0.00 H new ATOM 0 HA TYR A 18 18.395 -4.592 8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 18 17.083 -7.290 7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.633 -6.776 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.504 -6.193 8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 18 16.950 -8.415 9.718 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.638 -7.085 10.736 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.082 -9.313 11.743 1.00 0.00 H new ATOM 0 HH TYR A 18 19.958 -9.339 12.973 1.00 0.00 H new ATOM 284 N PRO A 19 17.747 -4.278 5.663 1.00 0.00 N ATOM 285 CA PRO A 19 17.258 -3.842 4.352 1.00 0.00 C ATOM 286 C PRO A 19 16.474 -4.946 3.625 1.00 0.00 C ATOM 287 O PRO A 19 16.970 -6.064 3.453 1.00 0.00 O ATOM 288 CB PRO A 19 18.496 -3.405 3.556 1.00 0.00 C ATOM 289 CG PRO A 19 19.517 -3.073 4.642 1.00 0.00 C ATOM 290 CD PRO A 19 19.186 -4.078 5.743 1.00 0.00 C ATOM 0 HA PRO A 19 16.550 -3.020 4.461 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.852 -4.199 2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.284 -2.541 2.926 1.00 0.00 H new ATOM 0 HG2 PRO A 19 20.540 -3.189 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.416 -2.045 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 19 19.722 -5.015 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.476 -3.698 6.722 1.00 0.00 H new ATOM 298 N LYS A 20 15.249 -4.636 3.186 1.00 0.00 N ATOM 299 CA LYS A 20 14.374 -5.567 2.458 1.00 0.00 C ATOM 300 C LYS A 20 14.710 -5.581 0.967 1.00 0.00 C ATOM 301 O LYS A 20 14.528 -4.574 0.285 1.00 0.00 O ATOM 302 CB LYS A 20 12.903 -5.202 2.728 1.00 0.00 C ATOM 303 CG LYS A 20 11.915 -6.015 1.875 1.00 0.00 C ATOM 304 CD LYS A 20 10.483 -5.885 2.409 1.00 0.00 C ATOM 305 CE LYS A 20 9.501 -6.524 1.421 1.00 0.00 C ATOM 306 NZ LYS A 20 8.167 -6.725 2.040 1.00 0.00 N ATOM 0 H LYS A 20 14.829 -3.717 3.328 1.00 0.00 H new ATOM 0 HA LYS A 20 14.540 -6.582 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.682 -5.364 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.756 -4.140 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.953 -5.670 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.211 -7.064 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.402 -6.370 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.234 -4.834 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.404 -5.889 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.895 -7.482 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.441 -6.763 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.163 -7.618 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.961 -5.935 2.685 1.00 0.00 H new ATOM 320 N LEU A 21 15.173 -6.722 0.457 1.00 0.00 N ATOM 321 CA LEU A 21 15.314 -6.960 -0.982 1.00 0.00 C ATOM 322 C LEU A 21 13.947 -7.320 -1.587 1.00 0.00 C ATOM 323 O LEU A 21 13.252 -8.202 -1.073 1.00 0.00 O ATOM 324 CB LEU A 21 16.346 -8.075 -1.240 1.00 0.00 C ATOM 325 CG LEU A 21 17.803 -7.650 -0.985 1.00 0.00 C ATOM 326 CD1 LEU A 21 18.707 -8.884 -0.933 1.00 0.00 C ATOM 327 CD2 LEU A 21 18.327 -6.733 -2.093 1.00 0.00 C ATOM 0 H LEU A 21 15.463 -7.513 1.033 1.00 0.00 H new ATOM 0 HA LEU A 21 15.675 -6.051 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.111 -8.928 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.252 -8.411 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 21 17.818 -7.114 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 21 19.736 -8.574 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.379 -9.541 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.650 -9.417 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.359 -6.454 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.285 -7.256 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 21 17.712 -5.835 -2.143 1.00 0.00 H new ATOM 339 N MET A 22 13.573 -6.665 -2.687 1.00 0.00 N ATOM 340 CA MET A 22 12.371 -6.976 -3.474 1.00 0.00 C ATOM 341 C MET A 22 12.568 -6.600 -4.954 1.00 0.00 C ATOM 342 O MET A 22 13.601 -6.040 -5.325 1.00 0.00 O ATOM 343 CB MET A 22 11.127 -6.334 -2.825 1.00 0.00 C ATOM 344 CG MET A 22 10.944 -4.832 -3.085 1.00 0.00 C ATOM 345 SD MET A 22 10.030 -4.380 -4.584 1.00 0.00 S ATOM 346 CE MET A 22 8.364 -4.972 -4.174 1.00 0.00 C ATOM 0 H MET A 22 14.108 -5.884 -3.067 1.00 0.00 H new ATOM 0 HA MET A 22 12.199 -8.052 -3.468 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.241 -6.857 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 22 11.177 -6.495 -1.748 1.00 0.00 H new ATOM 0 HG2 MET A 22 10.431 -4.397 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 22 11.930 -4.371 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.693 -4.779 -5.011 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.397 -6.043 -3.975 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.000 -4.450 -3.289 1.00 0.00 H new ATOM 356 N GLU A 23 11.612 -6.941 -5.820 1.00 0.00 N ATOM 357 CA GLU A 23 11.716 -6.769 -7.274 1.00 0.00 C ATOM 358 C GLU A 23 10.518 -5.990 -7.836 1.00 0.00 C ATOM 359 O GLU A 23 9.375 -6.455 -7.802 1.00 0.00 O ATOM 360 CB GLU A 23 11.900 -8.144 -7.938 1.00 0.00 C ATOM 361 CG GLU A 23 13.343 -8.639 -7.742 1.00 0.00 C ATOM 362 CD GLU A 23 13.571 -10.128 -8.048 1.00 0.00 C ATOM 363 OE1 GLU A 23 12.813 -10.743 -8.838 1.00 0.00 O ATOM 364 OE2 GLU A 23 14.548 -10.685 -7.490 1.00 0.00 O ATOM 0 H GLU A 23 10.726 -7.353 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 23 12.593 -6.165 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.200 -8.860 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.672 -8.076 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.002 -8.049 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.639 -8.447 -6.711 1.00 0.00 H new ATOM 371 N ILE A 24 10.796 -4.790 -8.353 1.00 0.00 N ATOM 372 CA ILE A 24 9.821 -3.876 -8.952 1.00 0.00 C ATOM 373 C ILE A 24 9.633 -4.218 -10.432 1.00 0.00 C ATOM 374 O ILE A 24 10.561 -4.089 -11.230 1.00 0.00 O ATOM 375 CB ILE A 24 10.276 -2.405 -8.748 1.00 0.00 C ATOM 376 CG1 ILE A 24 10.126 -2.037 -7.252 1.00 0.00 C ATOM 377 CG2 ILE A 24 9.503 -1.425 -9.659 1.00 0.00 C ATOM 378 CD1 ILE A 24 10.538 -0.608 -6.880 1.00 0.00 C ATOM 0 H ILE A 24 11.744 -4.414 -8.366 1.00 0.00 H new ATOM 0 HA ILE A 24 8.856 -3.991 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 24 11.323 -2.317 -9.037 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.086 -2.184 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.722 -2.734 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.855 -0.409 -9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.670 -1.690 -10.703 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.438 -1.484 -9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.394 -0.455 -5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.588 -0.455 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.926 0.103 -7.434 1.00 0.00 H new ATOM 390 N ASP A 25 8.424 -4.639 -10.805 1.00 0.00 N ATOM 391 CA ASP A 25 7.998 -4.750 -12.204 1.00 0.00 C ATOM 392 C ASP A 25 7.544 -3.362 -12.674 1.00 0.00 C ATOM 393 O ASP A 25 6.582 -2.808 -12.139 1.00 0.00 O ATOM 394 CB ASP A 25 6.871 -5.790 -12.322 1.00 0.00 C ATOM 395 CG ASP A 25 6.223 -5.886 -13.716 1.00 0.00 C ATOM 396 OD1 ASP A 25 5.219 -6.622 -13.842 1.00 0.00 O ATOM 397 OD2 ASP A 25 6.689 -5.219 -14.667 1.00 0.00 O ATOM 0 H ASP A 25 7.704 -4.916 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 25 8.818 -5.088 -12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.269 -6.769 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.097 -5.550 -11.593 1.00 0.00 H new ATOM 402 N GLN A 26 8.213 -2.788 -13.675 1.00 0.00 N ATOM 403 CA GLN A 26 7.890 -1.444 -14.168 1.00 0.00 C ATOM 404 C GLN A 26 6.513 -1.341 -14.859 1.00 0.00 C ATOM 405 O GLN A 26 6.040 -0.227 -15.100 1.00 0.00 O ATOM 406 CB GLN A 26 9.040 -0.885 -15.024 1.00 0.00 C ATOM 407 CG GLN A 26 10.363 -0.681 -14.250 1.00 0.00 C ATOM 408 CD GLN A 26 10.374 0.521 -13.295 1.00 0.00 C ATOM 409 OE1 GLN A 26 9.382 0.903 -12.682 1.00 0.00 O ATOM 410 NE2 GLN A 26 11.505 1.170 -13.122 1.00 0.00 N ATOM 0 H GLN A 26 8.988 -3.235 -14.165 1.00 0.00 H new ATOM 0 HA GLN A 26 7.791 -0.805 -13.290 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.221 -1.563 -15.858 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.730 0.069 -15.450 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.575 -1.584 -13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.173 -0.563 -14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.345 0.873 -13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.542 1.970 -12.490 1.00 0.00 H new ATOM 419 N LYS A 27 5.833 -2.468 -15.129 1.00 0.00 N ATOM 420 CA LYS A 27 4.436 -2.517 -15.600 1.00 0.00 C ATOM 421 C LYS A 27 3.385 -2.620 -14.478 1.00 0.00 C ATOM 422 O LYS A 27 2.224 -2.287 -14.733 1.00 0.00 O ATOM 423 CB LYS A 27 4.266 -3.679 -16.601 1.00 0.00 C ATOM 424 CG LYS A 27 5.160 -3.602 -17.854 1.00 0.00 C ATOM 425 CD LYS A 27 4.912 -2.336 -18.690 1.00 0.00 C ATOM 426 CE LYS A 27 5.652 -2.417 -20.029 1.00 0.00 C ATOM 427 NZ LYS A 27 5.407 -1.209 -20.856 1.00 0.00 N ATOM 0 H LYS A 27 6.249 -3.394 -15.024 1.00 0.00 H new ATOM 0 HA LYS A 27 4.248 -1.559 -16.085 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.473 -4.616 -16.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.224 -3.714 -16.919 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.206 -3.631 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.984 -4.481 -18.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.843 -2.214 -18.866 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.246 -1.458 -18.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.722 -2.526 -19.850 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.328 -3.304 -20.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.921 -1.294 -21.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.389 -1.119 -21.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.739 -0.366 -20.346 1.00 0.00 H new ATOM 441 N LYS A 28 3.740 -3.053 -13.256 1.00 0.00 N ATOM 442 CA LYS A 28 2.797 -3.164 -12.114 1.00 0.00 C ATOM 443 C LYS A 28 2.687 -1.844 -11.327 1.00 0.00 C ATOM 444 O LYS A 28 3.673 -1.102 -11.264 1.00 0.00 O ATOM 445 CB LYS A 28 3.113 -4.401 -11.243 1.00 0.00 C ATOM 446 CG LYS A 28 4.049 -4.151 -10.052 1.00 0.00 C ATOM 447 CD LYS A 28 4.328 -5.417 -9.225 1.00 0.00 C ATOM 448 CE LYS A 28 3.094 -5.878 -8.439 1.00 0.00 C ATOM 449 NZ LYS A 28 3.394 -7.074 -7.616 1.00 0.00 N ATOM 0 H LYS A 28 4.692 -3.339 -13.025 1.00 0.00 H new ATOM 0 HA LYS A 28 1.797 -3.335 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.174 -4.807 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.559 -5.166 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.993 -3.749 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.609 -3.392 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.654 -6.218 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.147 -5.223 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.747 -5.069 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.283 -6.105 -9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.515 -7.432 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.813 -7.812 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.064 -6.818 -6.863 1.00 0.00 H new ATOM 463 N PRO A 29 1.525 -1.526 -10.728 1.00 0.00 N ATOM 464 CA PRO A 29 1.283 -0.242 -10.069 1.00 0.00 C ATOM 465 C PRO A 29 2.074 -0.091 -8.769 1.00 0.00 C ATOM 466 O PRO A 29 2.262 -1.050 -8.015 1.00 0.00 O ATOM 467 CB PRO A 29 -0.226 -0.194 -9.804 1.00 0.00 C ATOM 468 CG PRO A 29 -0.634 -1.661 -9.724 1.00 0.00 C ATOM 469 CD PRO A 29 0.348 -2.378 -10.642 1.00 0.00 C ATOM 0 HA PRO A 29 1.616 0.582 -10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.452 0.334 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.755 0.324 -10.604 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.570 -2.036 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.663 -1.806 -10.052 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.607 -3.359 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.088 -2.539 -11.628 1.00 0.00 H new ATOM 477 N LEU A 30 2.481 1.143 -8.464 1.00 0.00 N ATOM 478 CA LEU A 30 3.197 1.456 -7.227 1.00 0.00 C ATOM 479 C LEU A 30 2.361 1.207 -5.970 1.00 0.00 C ATOM 480 O LEU A 30 2.933 0.810 -4.963 1.00 0.00 O ATOM 481 CB LEU A 30 3.715 2.898 -7.275 1.00 0.00 C ATOM 482 CG LEU A 30 4.935 3.038 -8.199 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.129 4.509 -8.523 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.222 2.512 -7.554 1.00 0.00 C ATOM 0 H LEU A 30 2.324 1.951 -9.066 1.00 0.00 H new ATOM 0 HA LEU A 30 4.043 0.772 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.920 3.558 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.982 3.221 -6.269 1.00 0.00 H new ATOM 0 HG LEU A 30 4.743 2.447 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.992 4.626 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.239 4.892 -9.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.296 5.066 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.053 2.634 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.426 3.071 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.103 1.456 -7.313 1.00 0.00 H new ATOM 496 N SER A 31 1.031 1.342 -6.014 1.00 0.00 N ATOM 497 CA SER A 31 0.169 0.974 -4.876 1.00 0.00 C ATOM 498 C SER A 31 0.333 -0.508 -4.497 1.00 0.00 C ATOM 499 O SER A 31 0.550 -0.824 -3.325 1.00 0.00 O ATOM 500 CB SER A 31 -1.294 1.300 -5.198 1.00 0.00 C ATOM 501 OG SER A 31 -2.150 0.938 -4.126 1.00 0.00 O ATOM 0 H SER A 31 0.525 1.703 -6.823 1.00 0.00 H new ATOM 0 HA SER A 31 0.478 1.562 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.395 2.366 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.596 0.772 -6.102 1.00 0.00 H new ATOM 0 HG SER A 31 -2.368 1.734 -3.598 1.00 0.00 H new ATOM 507 N ALA A 32 0.343 -1.413 -5.485 1.00 0.00 N ATOM 508 CA ALA A 32 0.584 -2.840 -5.254 1.00 0.00 C ATOM 509 C ALA A 32 2.006 -3.114 -4.725 1.00 0.00 C ATOM 510 O ALA A 32 2.174 -3.885 -3.779 1.00 0.00 O ATOM 511 CB ALA A 32 0.304 -3.608 -6.555 1.00 0.00 C ATOM 0 H ALA A 32 0.184 -1.175 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.094 -3.189 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.480 -4.672 -6.395 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.733 -3.453 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.966 -3.245 -7.341 1.00 0.00 H new ATOM 517 N ILE A 33 3.024 -2.446 -5.280 1.00 0.00 N ATOM 518 CA ILE A 33 4.414 -2.537 -4.807 1.00 0.00 C ATOM 519 C ILE A 33 4.539 -2.062 -3.355 1.00 0.00 C ATOM 520 O ILE A 33 5.062 -2.791 -2.519 1.00 0.00 O ATOM 521 CB ILE A 33 5.345 -1.738 -5.746 1.00 0.00 C ATOM 522 CG1 ILE A 33 5.398 -2.423 -7.128 1.00 0.00 C ATOM 523 CG2 ILE A 33 6.760 -1.597 -5.156 1.00 0.00 C ATOM 524 CD1 ILE A 33 5.852 -1.505 -8.267 1.00 0.00 C ATOM 0 H ILE A 33 2.907 -1.821 -6.077 1.00 0.00 H new ATOM 0 HA ILE A 33 4.721 -3.583 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 33 4.939 -0.732 -5.857 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.074 -3.276 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.409 -2.815 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.386 -1.029 -5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.705 -1.075 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.191 -2.586 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.862 -2.064 -9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.163 -0.664 -8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.855 -1.133 -8.057 1.00 0.00 H new ATOM 536 N ILE A 34 4.038 -0.869 -3.026 1.00 0.00 N ATOM 537 CA ILE A 34 4.131 -0.282 -1.681 1.00 0.00 C ATOM 538 C ILE A 34 3.404 -1.177 -0.665 1.00 0.00 C ATOM 539 O ILE A 34 3.950 -1.439 0.406 1.00 0.00 O ATOM 540 CB ILE A 34 3.609 1.175 -1.695 1.00 0.00 C ATOM 541 CG1 ILE A 34 4.527 2.087 -2.548 1.00 0.00 C ATOM 542 CG2 ILE A 34 3.521 1.762 -0.276 1.00 0.00 C ATOM 543 CD1 ILE A 34 3.821 3.351 -3.060 1.00 0.00 C ATOM 0 H ILE A 34 3.549 -0.273 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 34 5.174 -0.234 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 34 2.611 1.142 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.392 2.378 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.902 1.519 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.151 2.786 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.840 1.160 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.510 1.757 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.520 3.945 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.972 3.067 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.470 3.940 -2.213 1.00 0.00 H new ATOM 555 N LYS A 35 2.243 -1.748 -1.022 1.00 0.00 N ATOM 556 CA LYS A 35 1.551 -2.759 -0.204 1.00 0.00 C ATOM 557 C LYS A 35 2.422 -3.996 0.056 1.00 0.00 C ATOM 558 O LYS A 35 2.500 -4.464 1.191 1.00 0.00 O ATOM 559 CB LYS A 35 0.220 -3.135 -0.875 1.00 0.00 C ATOM 560 CG LYS A 35 -0.713 -3.878 0.092 1.00 0.00 C ATOM 561 CD LYS A 35 -2.058 -4.191 -0.575 1.00 0.00 C ATOM 562 CE LYS A 35 -2.989 -4.885 0.428 1.00 0.00 C ATOM 563 NZ LYS A 35 -4.302 -5.219 -0.184 1.00 0.00 N ATOM 0 H LYS A 35 1.755 -1.521 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 35 1.347 -2.326 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.274 -2.233 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.415 -3.761 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.241 -4.804 0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.877 -3.272 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.518 -3.271 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.903 -4.831 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.516 -5.796 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.143 -4.237 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.905 -5.687 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.764 -4.347 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.156 -5.858 -0.992 1.00 0.00 H new ATOM 577 N GLU A 36 3.118 -4.496 -0.966 1.00 0.00 N ATOM 578 CA GLU A 36 4.018 -5.648 -0.874 1.00 0.00 C ATOM 579 C GLU A 36 5.296 -5.347 -0.071 1.00 0.00 C ATOM 580 O GLU A 36 5.861 -6.255 0.544 1.00 0.00 O ATOM 581 CB GLU A 36 4.343 -6.111 -2.302 1.00 0.00 C ATOM 582 CG GLU A 36 3.187 -6.915 -2.918 1.00 0.00 C ATOM 583 CD GLU A 36 3.293 -7.074 -4.446 1.00 0.00 C ATOM 584 OE1 GLU A 36 4.379 -6.863 -5.042 1.00 0.00 O ATOM 585 OE2 GLU A 36 2.280 -7.446 -5.087 1.00 0.00 O ATOM 0 H GLU A 36 3.071 -4.101 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 36 3.518 -6.444 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.555 -5.243 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.245 -6.723 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.158 -7.903 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.244 -6.424 -2.677 1.00 0.00 H new ATOM 592 N VAL A 37 5.737 -4.084 -0.012 1.00 0.00 N ATOM 593 CA VAL A 37 6.801 -3.627 0.897 1.00 0.00 C ATOM 594 C VAL A 37 6.291 -3.617 2.341 1.00 0.00 C ATOM 595 O VAL A 37 6.812 -4.366 3.172 1.00 0.00 O ATOM 596 CB VAL A 37 7.371 -2.252 0.497 1.00 0.00 C ATOM 597 CG1 VAL A 37 8.449 -1.785 1.481 1.00 0.00 C ATOM 598 CG2 VAL A 37 8.018 -2.308 -0.887 1.00 0.00 C ATOM 0 H VAL A 37 5.362 -3.340 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 37 7.626 -4.335 0.818 1.00 0.00 H new ATOM 0 HB VAL A 37 6.530 -1.559 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.829 -0.812 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.020 -1.704 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.266 -2.507 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.412 -1.325 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.831 -3.034 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.273 -2.605 -1.625 1.00 0.00 H new ATOM 608 N CYS A 38 5.258 -2.812 2.616 1.00 0.00 N ATOM 609 CA CYS A 38 4.714 -2.547 3.955 1.00 0.00 C ATOM 610 C CYS A 38 4.304 -3.817 4.720 1.00 0.00 C ATOM 611 O CYS A 38 4.570 -3.921 5.919 1.00 0.00 O ATOM 612 CB CYS A 38 3.504 -1.605 3.819 1.00 0.00 C ATOM 613 SG CYS A 38 4.010 0.059 3.295 1.00 0.00 S ATOM 0 H CYS A 38 4.758 -2.307 1.884 1.00 0.00 H new ATOM 0 HA CYS A 38 5.510 -2.087 4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.801 -2.017 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.981 -1.544 4.773 1.00 0.00 H new ATOM 0 HG CYS A 38 4.169 0.078 2.005 1.00 0.00 H new ATOM 619 N ASP A 39 3.712 -4.805 4.039 1.00 0.00 N ATOM 620 CA ASP A 39 3.260 -6.064 4.651 1.00 0.00 C ATOM 621 C ASP A 39 4.397 -6.869 5.317 1.00 0.00 C ATOM 622 O ASP A 39 4.177 -7.545 6.324 1.00 0.00 O ATOM 623 CB ASP A 39 2.570 -6.906 3.568 1.00 0.00 C ATOM 624 CG ASP A 39 1.916 -8.186 4.121 1.00 0.00 C ATOM 625 OD1 ASP A 39 1.173 -8.110 5.129 1.00 0.00 O ATOM 626 OD2 ASP A 39 2.110 -9.268 3.517 1.00 0.00 O ATOM 0 H ASP A 39 3.530 -4.754 3.037 1.00 0.00 H new ATOM 0 HA ASP A 39 2.568 -5.815 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.809 -6.300 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.302 -7.179 2.808 1.00 0.00 H new ATOM 631 N GLY A 40 5.634 -6.755 4.811 1.00 0.00 N ATOM 632 CA GLY A 40 6.811 -7.432 5.381 1.00 0.00 C ATOM 633 C GLY A 40 7.232 -6.895 6.755 1.00 0.00 C ATOM 634 O GLY A 40 7.728 -7.654 7.590 1.00 0.00 O ATOM 0 H GLY A 40 5.848 -6.188 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.598 -8.498 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.647 -7.329 4.690 1.00 0.00 H new ATOM 638 N TRP A 41 6.977 -5.609 7.013 1.00 0.00 N ATOM 639 CA TRP A 41 7.132 -4.961 8.323 1.00 0.00 C ATOM 640 C TRP A 41 5.797 -4.826 9.088 1.00 0.00 C ATOM 641 O TRP A 41 5.721 -4.099 10.080 1.00 0.00 O ATOM 642 CB TRP A 41 7.885 -3.632 8.137 1.00 0.00 C ATOM 643 CG TRP A 41 9.285 -3.766 7.611 1.00 0.00 C ATOM 644 CD1 TRP A 41 10.254 -4.540 8.152 1.00 0.00 C ATOM 645 CD2 TRP A 41 9.903 -3.114 6.454 1.00 0.00 C ATOM 646 NE1 TRP A 41 11.414 -4.426 7.413 1.00 0.00 N ATOM 647 CE2 TRP A 41 11.262 -3.547 6.365 1.00 0.00 C ATOM 648 CE3 TRP A 41 9.460 -2.198 5.477 1.00 0.00 C ATOM 649 CZ2 TRP A 41 12.138 -3.087 5.373 1.00 0.00 C ATOM 650 CZ3 TRP A 41 10.332 -1.729 4.474 1.00 0.00 C ATOM 651 CH2 TRP A 41 11.664 -2.170 4.421 1.00 0.00 C ATOM 0 H TRP A 41 6.646 -4.967 6.293 1.00 0.00 H new ATOM 0 HA TRP A 41 7.733 -5.600 8.970 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.315 -3.001 7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.921 -3.114 9.096 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.137 -5.156 9.032 1.00 0.00 H new ATOM 0 HE1 TRP A 41 12.277 -4.930 7.618 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.437 -1.851 5.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 13.161 -3.432 5.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.972 -1.024 3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 41 12.324 -1.804 3.648 1.00 0.00 H new ATOM 662 N SER A 42 4.749 -5.537 8.646 1.00 0.00 N ATOM 663 CA SER A 42 3.373 -5.544 9.189 1.00 0.00 C ATOM 664 C SER A 42 2.671 -4.172 9.224 1.00 0.00 C ATOM 665 O SER A 42 1.699 -3.971 9.959 1.00 0.00 O ATOM 666 CB SER A 42 3.300 -6.319 10.518 1.00 0.00 C ATOM 667 OG SER A 42 3.827 -5.594 11.620 1.00 0.00 O ATOM 0 H SER A 42 4.841 -6.165 7.848 1.00 0.00 H new ATOM 0 HA SER A 42 2.774 -6.093 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.261 -6.576 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.846 -7.257 10.414 1.00 0.00 H new ATOM 0 HG SER A 42 4.531 -4.988 11.307 1.00 0.00 H new ATOM 673 N LEU A 43 3.141 -3.215 8.414 1.00 0.00 N ATOM 674 CA LEU A 43 2.611 -1.853 8.332 1.00 0.00 C ATOM 675 C LEU A 43 1.243 -1.838 7.627 1.00 0.00 C ATOM 676 O LEU A 43 1.139 -2.125 6.431 1.00 0.00 O ATOM 677 CB LEU A 43 3.640 -0.954 7.616 1.00 0.00 C ATOM 678 CG LEU A 43 4.931 -0.704 8.419 1.00 0.00 C ATOM 679 CD1 LEU A 43 5.989 -0.085 7.512 1.00 0.00 C ATOM 680 CD2 LEU A 43 4.709 0.233 9.608 1.00 0.00 C ATOM 0 H LEU A 43 3.924 -3.374 7.780 1.00 0.00 H new ATOM 0 HA LEU A 43 2.448 -1.461 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.902 -1.411 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.173 0.005 7.393 1.00 0.00 H new ATOM 0 HG LEU A 43 5.258 -1.671 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.901 0.090 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.203 -0.764 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.621 0.862 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.650 0.376 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.345 1.196 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.973 -0.204 10.283 1.00 0.00 H new ATOM 692 N ALA A 44 0.192 -1.497 8.376 1.00 0.00 N ATOM 693 CA ALA A 44 -1.164 -1.309 7.858 1.00 0.00 C ATOM 694 C ALA A 44 -1.309 0.009 7.067 1.00 0.00 C ATOM 695 O ALA A 44 -0.497 0.930 7.205 1.00 0.00 O ATOM 696 CB ALA A 44 -2.144 -1.368 9.038 1.00 0.00 C ATOM 0 H ALA A 44 0.262 -1.341 9.381 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.389 -2.106 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.162 -1.230 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.063 -2.337 9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.904 -0.579 9.750 1.00 0.00 H new ATOM 702 N ASN A 45 -2.380 0.103 6.271 1.00 0.00 N ATOM 703 CA ASN A 45 -2.780 1.294 5.507 1.00 0.00 C ATOM 704 C ASN A 45 -1.649 1.831 4.600 1.00 0.00 C ATOM 705 O ASN A 45 -1.147 2.944 4.777 1.00 0.00 O ATOM 706 CB ASN A 45 -3.383 2.356 6.455 1.00 0.00 C ATOM 707 CG ASN A 45 -4.435 1.809 7.406 1.00 0.00 C ATOM 708 OD1 ASN A 45 -4.229 1.700 8.607 1.00 0.00 O ATOM 709 ND2 ASN A 45 -5.589 1.426 6.907 1.00 0.00 N ATOM 0 H ASN A 45 -3.019 -0.680 6.135 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.565 1.007 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.579 2.806 7.038 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.827 3.152 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.307 1.040 7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.767 1.514 5.906 1.00 0.00 H new ATOM 716 N HIS A 46 -1.250 1.043 3.595 1.00 0.00 N ATOM 717 CA HIS A 46 -0.159 1.370 2.669 1.00 0.00 C ATOM 718 C HIS A 46 -0.432 2.633 1.824 1.00 0.00 C ATOM 719 O HIS A 46 0.496 3.206 1.259 1.00 0.00 O ATOM 720 CB HIS A 46 0.086 0.146 1.779 1.00 0.00 C ATOM 721 CG HIS A 46 -0.961 -0.017 0.708 1.00 0.00 C ATOM 722 ND1 HIS A 46 -2.268 -0.482 0.881 1.00 0.00 N ATOM 723 CD2 HIS A 46 -0.811 0.414 -0.573 1.00 0.00 C ATOM 724 CE1 HIS A 46 -2.865 -0.336 -0.318 1.00 0.00 C ATOM 725 NE2 HIS A 46 -2.009 0.193 -1.210 1.00 0.00 N ATOM 0 H HIS A 46 -1.685 0.142 3.398 1.00 0.00 H new ATOM 0 HA HIS A 46 0.731 1.608 3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.067 0.233 1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.107 -0.750 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.078 0.847 -1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.888 -0.606 -0.533 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.213 0.395 -2.189 1.00 0.00 H new ATOM 733 N GLU A 47 -1.683 3.111 1.788 1.00 0.00 N ATOM 734 CA GLU A 47 -2.114 4.380 1.176 1.00 0.00 C ATOM 735 C GLU A 47 -1.340 5.607 1.700 1.00 0.00 C ATOM 736 O GLU A 47 -1.158 6.591 0.979 1.00 0.00 O ATOM 737 CB GLU A 47 -3.605 4.613 1.488 1.00 0.00 C ATOM 738 CG GLU A 47 -4.570 3.466 1.145 1.00 0.00 C ATOM 739 CD GLU A 47 -4.669 3.123 -0.358 1.00 0.00 C ATOM 740 OE1 GLU A 47 -5.244 2.057 -0.685 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.227 3.920 -1.222 1.00 0.00 O ATOM 0 H GLU A 47 -2.462 2.600 2.204 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.921 4.285 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.700 4.831 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.930 5.503 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.256 2.573 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.564 3.726 1.509 1.00 0.00 H new ATOM 748 N TYR A 48 -0.872 5.555 2.953 1.00 0.00 N ATOM 749 CA TYR A 48 -0.055 6.600 3.580 1.00 0.00 C ATOM 750 C TYR A 48 1.399 6.605 3.076 1.00 0.00 C ATOM 751 O TYR A 48 2.090 7.615 3.214 1.00 0.00 O ATOM 752 CB TYR A 48 -0.049 6.386 5.104 1.00 0.00 C ATOM 753 CG TYR A 48 -1.338 6.719 5.842 1.00 0.00 C ATOM 754 CD1 TYR A 48 -1.365 7.814 6.728 1.00 0.00 C ATOM 755 CD2 TYR A 48 -2.486 5.912 5.702 1.00 0.00 C ATOM 756 CE1 TYR A 48 -2.519 8.085 7.486 1.00 0.00 C ATOM 757 CE2 TYR A 48 -3.647 6.183 6.451 1.00 0.00 C ATOM 758 CZ TYR A 48 -3.662 7.266 7.360 1.00 0.00 C ATOM 759 OH TYR A 48 -4.775 7.539 8.095 1.00 0.00 O ATOM 0 H TYR A 48 -1.055 4.766 3.573 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.498 7.559 3.314 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.197 5.343 5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.753 6.988 5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.496 8.448 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.475 5.079 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.530 8.923 8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.524 5.565 6.331 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.472 6.881 7.890 1.00 0.00 H new ATOM 769 N PHE A 49 1.888 5.496 2.518 1.00 0.00 N ATOM 770 CA PHE A 49 3.302 5.269 2.209 1.00 0.00 C ATOM 771 C PHE A 49 3.698 5.535 0.751 1.00 0.00 C ATOM 772 O PHE A 49 2.878 5.532 -0.167 1.00 0.00 O ATOM 773 CB PHE A 49 3.690 3.849 2.645 1.00 0.00 C ATOM 774 CG PHE A 49 3.845 3.719 4.146 1.00 0.00 C ATOM 775 CD1 PHE A 49 5.116 3.885 4.729 1.00 0.00 C ATOM 776 CD2 PHE A 49 2.722 3.490 4.964 1.00 0.00 C ATOM 777 CE1 PHE A 49 5.252 3.857 6.127 1.00 0.00 C ATOM 778 CE2 PHE A 49 2.866 3.443 6.361 1.00 0.00 C ATOM 779 CZ PHE A 49 4.131 3.634 6.945 1.00 0.00 C ATOM 0 H PHE A 49 1.294 4.708 2.261 1.00 0.00 H new ATOM 0 HA PHE A 49 3.866 6.010 2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.930 3.147 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.626 3.568 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.984 4.033 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.749 3.350 4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.223 4.008 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.005 3.260 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.241 3.609 8.019 1.00 0.00 H new ATOM 789 N ALA A 50 5.002 5.738 0.565 1.00 0.00 N ATOM 790 CA ALA A 50 5.714 5.799 -0.705 1.00 0.00 C ATOM 791 C ALA A 50 7.175 5.362 -0.514 1.00 0.00 C ATOM 792 O ALA A 50 7.738 5.426 0.582 1.00 0.00 O ATOM 793 CB ALA A 50 5.629 7.223 -1.274 1.00 0.00 C ATOM 0 H ALA A 50 5.631 5.873 1.357 1.00 0.00 H new ATOM 0 HA ALA A 50 5.251 5.115 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.162 7.268 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.584 7.490 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.081 7.923 -0.571 1.00 0.00 H new ATOM 799 N LEU A 51 7.795 4.906 -1.600 1.00 0.00 N ATOM 800 CA LEU A 51 9.238 4.700 -1.654 1.00 0.00 C ATOM 801 C LEU A 51 9.937 6.045 -1.906 1.00 0.00 C ATOM 802 O LEU A 51 9.354 6.958 -2.496 1.00 0.00 O ATOM 803 CB LEU A 51 9.548 3.654 -2.737 1.00 0.00 C ATOM 804 CG LEU A 51 9.232 2.215 -2.288 1.00 0.00 C ATOM 805 CD1 LEU A 51 9.252 1.274 -3.491 1.00 0.00 C ATOM 806 CD2 LEU A 51 10.250 1.704 -1.265 1.00 0.00 C ATOM 0 H LEU A 51 7.311 4.669 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 51 9.617 4.317 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.972 3.884 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.601 3.721 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 51 8.244 2.232 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.027 0.259 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.504 1.595 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.239 1.296 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.993 0.686 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.246 1.714 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.237 2.348 -0.386 1.00 0.00 H new ATOM 818 N GLN A 52 11.193 6.166 -1.484 1.00 0.00 N ATOM 819 CA GLN A 52 12.036 7.344 -1.704 1.00 0.00 C ATOM 820 C GLN A 52 13.483 6.920 -1.986 1.00 0.00 C ATOM 821 O GLN A 52 13.963 5.934 -1.425 1.00 0.00 O ATOM 822 CB GLN A 52 11.896 8.285 -0.491 1.00 0.00 C ATOM 823 CG GLN A 52 12.739 9.565 -0.583 1.00 0.00 C ATOM 824 CD GLN A 52 12.503 10.492 0.602 1.00 0.00 C ATOM 825 OE1 GLN A 52 13.255 10.504 1.570 1.00 0.00 O ATOM 826 NE2 GLN A 52 11.476 11.310 0.588 1.00 0.00 N ATOM 0 H GLN A 52 11.668 5.428 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 52 11.711 7.895 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.848 8.562 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.179 7.741 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.795 9.300 -0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.500 10.091 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.839 11.315 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.315 11.940 1.374 1.00 0.00 H new ATOM 835 N HIS A 53 14.186 7.650 -2.856 1.00 0.00 N ATOM 836 CA HIS A 53 15.596 7.376 -3.186 1.00 0.00 C ATOM 837 C HIS A 53 16.542 7.527 -1.985 1.00 0.00 C ATOM 838 O HIS A 53 16.424 8.477 -1.207 1.00 0.00 O ATOM 839 CB HIS A 53 16.060 8.263 -4.355 1.00 0.00 C ATOM 840 CG HIS A 53 15.853 7.627 -5.704 1.00 0.00 C ATOM 841 ND1 HIS A 53 16.686 6.657 -6.269 1.00 0.00 N ATOM 842 CD2 HIS A 53 14.823 7.877 -6.562 1.00 0.00 C ATOM 843 CE1 HIS A 53 16.140 6.350 -7.459 1.00 0.00 C ATOM 844 NE2 HIS A 53 15.020 7.067 -7.659 1.00 0.00 N ATOM 0 H HIS A 53 13.797 8.450 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 53 15.644 6.329 -3.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.520 9.209 -4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.118 8.495 -4.229 1.00 0.00 H new ATOM 0 HD1 HIS A 53 17.534 6.263 -5.862 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.012 8.574 -6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.544 5.630 -8.155 1.00 0.00 H new ATOM 930 N TYR A 60 10.644 11.262 -3.846 1.00 0.00 N ATOM 931 CA TYR A 60 9.590 10.255 -3.685 1.00 0.00 C ATOM 932 C TYR A 60 9.317 9.562 -5.029 1.00 0.00 C ATOM 933 O TYR A 60 9.318 10.201 -6.086 1.00 0.00 O ATOM 934 CB TYR A 60 8.297 10.889 -3.151 1.00 0.00 C ATOM 935 CG TYR A 60 8.359 11.388 -1.718 1.00 0.00 C ATOM 936 CD1 TYR A 60 8.581 12.752 -1.446 1.00 0.00 C ATOM 937 CD2 TYR A 60 8.133 10.489 -0.655 1.00 0.00 C ATOM 938 CE1 TYR A 60 8.563 13.221 -0.117 1.00 0.00 C ATOM 939 CE2 TYR A 60 8.103 10.958 0.673 1.00 0.00 C ATOM 940 CZ TYR A 60 8.318 12.326 0.946 1.00 0.00 C ATOM 941 OH TYR A 60 8.280 12.785 2.227 1.00 0.00 O ATOM 0 HA TYR A 60 9.933 9.517 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.028 11.725 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.494 10.156 -3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.765 13.440 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.983 9.439 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.737 14.267 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.915 10.270 1.484 1.00 0.00 H new ATOM 0 HH TYR A 60 8.099 12.039 2.837 1.00 0.00 H new ATOM 951 N ILE A 61 9.067 8.256 -4.997 1.00 0.00 N ATOM 952 CA ILE A 61 8.736 7.460 -6.180 1.00 0.00 C ATOM 953 C ILE A 61 7.256 7.639 -6.549 1.00 0.00 C ATOM 954 O ILE A 61 6.369 7.609 -5.692 1.00 0.00 O ATOM 955 CB ILE A 61 9.142 5.987 -5.971 1.00 0.00 C ATOM 956 CG1 ILE A 61 10.647 5.834 -5.635 1.00 0.00 C ATOM 957 CG2 ILE A 61 8.788 5.124 -7.194 1.00 0.00 C ATOM 958 CD1 ILE A 61 11.620 6.497 -6.622 1.00 0.00 C ATOM 0 H ILE A 61 9.089 7.710 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 61 9.312 7.818 -7.034 1.00 0.00 H new ATOM 0 HB ILE A 61 8.569 5.633 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.823 6.251 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.882 4.771 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.089 4.092 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.713 5.163 -7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.312 5.504 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.645 6.328 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.483 6.065 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.423 7.568 -6.662 1.00 0.00 H new ATOM 970 N THR A 62 7.008 7.819 -7.844 1.00 0.00 N ATOM 971 CA THR A 62 5.701 8.072 -8.472 1.00 0.00 C ATOM 972 C THR A 62 5.657 7.362 -9.824 1.00 0.00 C ATOM 973 O THR A 62 6.694 6.924 -10.329 1.00 0.00 O ATOM 974 CB THR A 62 5.444 9.577 -8.687 1.00 0.00 C ATOM 975 OG1 THR A 62 6.288 10.075 -9.705 1.00 0.00 O ATOM 976 CG2 THR A 62 5.661 10.438 -7.444 1.00 0.00 C ATOM 0 H THR A 62 7.760 7.791 -8.533 1.00 0.00 H new ATOM 0 HA THR A 62 4.927 7.693 -7.804 1.00 0.00 H new ATOM 0 HB THR A 62 4.390 9.647 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.115 11.031 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.458 11.482 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.987 10.111 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.693 10.337 -7.107 1.00 0.00 H new ATOM 984 N GLU A 63 4.484 7.275 -10.458 1.00 0.00 N ATOM 985 CA GLU A 63 4.353 6.664 -11.793 1.00 0.00 C ATOM 986 C GLU A 63 5.172 7.395 -12.881 1.00 0.00 C ATOM 987 O GLU A 63 5.441 6.822 -13.939 1.00 0.00 O ATOM 988 CB GLU A 63 2.867 6.526 -12.173 1.00 0.00 C ATOM 989 CG GLU A 63 2.066 5.578 -11.253 1.00 0.00 C ATOM 990 CD GLU A 63 2.535 4.106 -11.262 1.00 0.00 C ATOM 991 OE1 GLU A 63 3.329 3.704 -12.146 1.00 0.00 O ATOM 992 OE2 GLU A 63 2.106 3.331 -10.374 1.00 0.00 O ATOM 0 H GLU A 63 3.606 7.620 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 63 4.786 5.665 -11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.404 7.513 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.797 6.164 -13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.122 5.955 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.017 5.611 -11.548 1.00 0.00 H new ATOM 999 N LYS A 64 5.628 8.629 -12.606 1.00 0.00 N ATOM 1000 CA LYS A 64 6.616 9.369 -13.407 1.00 0.00 C ATOM 1001 C LYS A 64 8.060 9.059 -12.975 1.00 0.00 C ATOM 1002 O LYS A 64 8.891 8.729 -13.818 1.00 0.00 O ATOM 1003 CB LYS A 64 6.311 10.876 -13.303 1.00 0.00 C ATOM 1004 CG LYS A 64 7.216 11.723 -14.216 1.00 0.00 C ATOM 1005 CD LYS A 64 6.936 13.229 -14.107 1.00 0.00 C ATOM 1006 CE LYS A 64 7.330 13.787 -12.731 1.00 0.00 C ATOM 1007 NZ LYS A 64 7.144 15.261 -12.666 1.00 0.00 N ATOM 0 H LYS A 64 5.308 9.155 -11.793 1.00 0.00 H new ATOM 0 HA LYS A 64 6.536 9.050 -14.446 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.268 11.052 -13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.438 11.199 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.259 11.533 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.078 11.407 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.487 13.758 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.877 13.415 -14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.728 13.309 -11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.371 13.541 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.419 15.604 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.737 15.718 -13.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.145 15.493 -12.841 1.00 0.00 H new ATOM 1021 N ASN A 65 8.356 9.150 -11.675 1.00 0.00 N ATOM 1022 CA ASN A 65 9.719 9.118 -11.114 1.00 0.00 C ATOM 1023 C ASN A 65 10.344 7.715 -11.045 1.00 0.00 C ATOM 1024 O ASN A 65 11.566 7.584 -10.953 1.00 0.00 O ATOM 1025 CB ASN A 65 9.709 9.748 -9.707 1.00 0.00 C ATOM 1026 CG ASN A 65 9.406 11.237 -9.661 1.00 0.00 C ATOM 1027 OD1 ASN A 65 9.309 11.935 -10.662 1.00 0.00 O ATOM 1028 ND2 ASN A 65 9.274 11.772 -8.471 1.00 0.00 N ATOM 0 H ASN A 65 7.636 9.251 -10.959 1.00 0.00 H new ATOM 0 HA ASN A 65 10.343 9.691 -11.800 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.971 9.225 -9.099 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.681 9.578 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.090 12.771 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.355 11.189 -7.638 1.00 0.00 H new ATOM 1035 N ARG A 66 9.528 6.654 -11.095 1.00 0.00 N ATOM 1036 CA ARG A 66 9.975 5.250 -11.065 1.00 0.00 C ATOM 1037 C ARG A 66 10.941 4.861 -12.194 1.00 0.00 C ATOM 1038 O ARG A 66 11.656 3.870 -12.059 1.00 0.00 O ATOM 1039 CB ARG A 66 8.742 4.331 -11.036 1.00 0.00 C ATOM 1040 CG ARG A 66 7.838 4.478 -12.276 1.00 0.00 C ATOM 1041 CD ARG A 66 6.589 3.595 -12.196 1.00 0.00 C ATOM 1042 NE ARG A 66 6.911 2.173 -11.995 1.00 0.00 N ATOM 1043 CZ ARG A 66 6.050 1.224 -11.692 1.00 0.00 C ATOM 1044 NH1 ARG A 66 4.768 1.407 -11.669 1.00 0.00 N ATOM 1045 NH2 ARG A 66 6.471 0.036 -11.390 1.00 0.00 N ATOM 0 H ARG A 66 8.514 6.747 -11.159 1.00 0.00 H new ATOM 0 HA ARG A 66 10.563 5.124 -10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.072 3.295 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.158 4.548 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.537 5.520 -12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.406 4.219 -13.169 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.957 3.940 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.011 3.706 -13.113 1.00 0.00 H new ATOM 0 HE ARG A 66 7.888 1.898 -12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.380 2.323 -11.893 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.147 0.635 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.471 -0.165 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.802 -0.698 -11.156 1.00 0.00 H new ATOM 1059 N ASN A 67 11.012 5.646 -13.272 1.00 0.00 N ATOM 1060 CA ASN A 67 11.990 5.476 -14.353 1.00 0.00 C ATOM 1061 C ASN A 67 13.453 5.735 -13.917 1.00 0.00 C ATOM 1062 O ASN A 67 14.379 5.271 -14.585 1.00 0.00 O ATOM 1063 CB ASN A 67 11.581 6.360 -15.551 1.00 0.00 C ATOM 1064 CG ASN A 67 11.778 7.861 -15.356 1.00 0.00 C ATOM 1065 OD1 ASN A 67 11.877 8.383 -14.256 1.00 0.00 O ATOM 1066 ND2 ASN A 67 11.858 8.608 -16.434 1.00 0.00 N ATOM 0 H ASN A 67 10.380 6.433 -13.422 1.00 0.00 H new ATOM 0 HA ASN A 67 11.973 4.427 -14.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.153 6.046 -16.424 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.530 6.175 -15.775 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.002 9.614 -16.348 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.777 8.182 -17.357 1.00 0.00 H new ATOM 1073 N GLU A 68 13.682 6.437 -12.800 1.00 0.00 N ATOM 1074 CA GLU A 68 15.015 6.633 -12.206 1.00 0.00 C ATOM 1075 C GLU A 68 15.542 5.381 -11.474 1.00 0.00 C ATOM 1076 O GLU A 68 16.739 5.292 -11.190 1.00 0.00 O ATOM 1077 CB GLU A 68 14.987 7.825 -11.233 1.00 0.00 C ATOM 1078 CG GLU A 68 14.659 9.182 -11.881 1.00 0.00 C ATOM 1079 CD GLU A 68 15.625 9.598 -13.013 1.00 0.00 C ATOM 1080 OE1 GLU A 68 15.196 10.336 -13.934 1.00 0.00 O ATOM 1081 OE2 GLU A 68 16.826 9.235 -12.980 1.00 0.00 O ATOM 0 H GLU A 68 12.936 6.893 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 68 15.698 6.832 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.251 7.623 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.958 7.898 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.645 9.145 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.670 9.952 -11.109 1.00 0.00 H new ATOM 1088 N ILE A 69 14.675 4.411 -11.160 1.00 0.00 N ATOM 1089 CA ILE A 69 15.056 3.146 -10.522 1.00 0.00 C ATOM 1090 C ILE A 69 15.724 2.225 -11.556 1.00 0.00 C ATOM 1091 O ILE A 69 15.158 1.946 -12.618 1.00 0.00 O ATOM 1092 CB ILE A 69 13.837 2.461 -9.861 1.00 0.00 C ATOM 1093 CG1 ILE A 69 13.126 3.401 -8.856 1.00 0.00 C ATOM 1094 CG2 ILE A 69 14.284 1.168 -9.156 1.00 0.00 C ATOM 1095 CD1 ILE A 69 11.822 2.830 -8.289 1.00 0.00 C ATOM 0 H ILE A 69 13.675 4.484 -11.345 1.00 0.00 H new ATOM 0 HA ILE A 69 15.772 3.356 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 69 13.121 2.219 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.806 3.617 -8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.912 4.349 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.421 0.690 -8.692 1.00 0.00 H new ATOM 0 HG22 ILE A 69 14.726 0.490 -9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.022 1.408 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 69 11.383 3.546 -7.594 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.123 2.641 -9.104 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.031 1.897 -7.766 1.00 0.00 H new ATOM 1107 N LYS A 70 16.906 1.709 -11.207 1.00 0.00 N ATOM 1108 CA LYS A 70 17.658 0.678 -11.943 1.00 0.00 C ATOM 1109 C LYS A 70 17.902 -0.570 -11.087 1.00 0.00 C ATOM 1110 O LYS A 70 17.693 -0.551 -9.872 1.00 0.00 O ATOM 1111 CB LYS A 70 18.954 1.291 -12.510 1.00 0.00 C ATOM 1112 CG LYS A 70 19.941 1.769 -11.425 1.00 0.00 C ATOM 1113 CD LYS A 70 21.254 2.315 -12.005 1.00 0.00 C ATOM 1114 CE LYS A 70 21.040 3.604 -12.812 1.00 0.00 C ATOM 1115 NZ LYS A 70 22.327 4.158 -13.309 1.00 0.00 N ATOM 0 H LYS A 70 17.392 2.011 -10.363 1.00 0.00 H new ATOM 0 HA LYS A 70 17.060 0.332 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.450 0.552 -13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.696 2.134 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.465 2.545 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.164 0.939 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.955 2.509 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.709 1.559 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.381 3.401 -13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.540 4.346 -12.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.145 5.028 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.946 4.375 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.791 3.459 -13.924 1.00 0.00 H new ATOM 1129 N ASN A 71 18.358 -1.661 -11.700 1.00 0.00 N ATOM 1130 CA ASN A 71 18.649 -2.903 -10.983 1.00 0.00 C ATOM 1131 C ASN A 71 19.752 -2.693 -9.920 1.00 0.00 C ATOM 1132 O ASN A 71 20.863 -2.265 -10.240 1.00 0.00 O ATOM 1133 CB ASN A 71 19.013 -3.991 -12.007 1.00 0.00 C ATOM 1134 CG ASN A 71 19.011 -5.369 -11.373 1.00 0.00 C ATOM 1135 OD1 ASN A 71 17.992 -5.835 -10.885 1.00 0.00 O ATOM 1136 ND2 ASN A 71 20.131 -6.052 -11.338 1.00 0.00 N ATOM 0 H ASN A 71 18.536 -1.710 -12.703 1.00 0.00 H new ATOM 0 HA ASN A 71 17.766 -3.229 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.302 -3.968 -12.833 1.00 0.00 H new ATOM 0 HB3 ASN A 71 19.997 -3.783 -12.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.153 -6.974 -10.903 1.00 0.00 H new ATOM 0 HD22 ASN A 71 20.980 -5.661 -11.746 1.00 0.00 H new ATOM 1143 N GLY A 72 19.434 -2.989 -8.656 1.00 0.00 N ATOM 1144 CA GLY A 72 20.299 -2.778 -7.489 1.00 0.00 C ATOM 1145 C GLY A 72 20.138 -1.421 -6.778 1.00 0.00 C ATOM 1146 O GLY A 72 20.957 -1.104 -5.915 1.00 0.00 O ATOM 0 H GLY A 72 18.533 -3.398 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.105 -3.571 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.337 -2.881 -7.805 1.00 0.00 H new ATOM 1150 N THR A 73 19.116 -0.615 -7.107 1.00 0.00 N ATOM 1151 CA THR A 73 18.884 0.702 -6.466 1.00 0.00 C ATOM 1152 C THR A 73 18.550 0.561 -4.977 1.00 0.00 C ATOM 1153 O THR A 73 17.661 -0.215 -4.609 1.00 0.00 O ATOM 1154 CB THR A 73 17.754 1.492 -7.147 1.00 0.00 C ATOM 1155 OG1 THR A 73 18.066 1.715 -8.500 1.00 0.00 O ATOM 1156 CG2 THR A 73 17.509 2.881 -6.555 1.00 0.00 C ATOM 0 H THR A 73 18.427 -0.851 -7.821 1.00 0.00 H new ATOM 0 HA THR A 73 19.819 1.250 -6.579 1.00 0.00 H new ATOM 0 HB THR A 73 16.867 0.876 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.135 0.856 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.696 3.368 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.241 2.786 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.415 3.480 -6.646 1.00 0.00 H new ATOM 1164 N ILE A 74 19.216 1.336 -4.119 1.00 0.00 N ATOM 1165 CA ILE A 74 18.863 1.478 -2.704 1.00 0.00 C ATOM 1166 C ILE A 74 17.816 2.592 -2.538 1.00 0.00 C ATOM 1167 O ILE A 74 18.008 3.738 -2.963 1.00 0.00 O ATOM 1168 CB ILE A 74 20.103 1.694 -1.809 1.00 0.00 C ATOM 1169 CG1 ILE A 74 21.185 0.620 -2.088 1.00 0.00 C ATOM 1170 CG2 ILE A 74 19.689 1.655 -0.324 1.00 0.00 C ATOM 1171 CD1 ILE A 74 22.503 0.862 -1.350 1.00 0.00 C ATOM 0 H ILE A 74 20.028 1.891 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 74 18.420 0.542 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 74 20.528 2.671 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 74 20.795 -0.357 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 74 21.381 0.586 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 74 20.568 1.808 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.962 2.443 -0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.244 0.686 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 74 23.209 0.069 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 74 22.918 1.824 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 74 22.323 0.866 -0.275 1.00 0.00 H new ATOM 1183 N LEU A 75 16.709 2.238 -1.893 1.00 0.00 N ATOM 1184 CA LEU A 75 15.553 3.072 -1.570 1.00 0.00 C ATOM 1185 C LEU A 75 15.280 3.027 -0.053 1.00 0.00 C ATOM 1186 O LEU A 75 15.913 2.274 0.689 1.00 0.00 O ATOM 1187 CB LEU A 75 14.324 2.550 -2.354 1.00 0.00 C ATOM 1188 CG LEU A 75 14.457 2.486 -3.889 1.00 0.00 C ATOM 1189 CD1 LEU A 75 13.192 1.876 -4.491 1.00 0.00 C ATOM 1190 CD2 LEU A 75 14.647 3.870 -4.508 1.00 0.00 C ATOM 0 H LEU A 75 16.586 1.284 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 75 15.751 4.106 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.089 1.549 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.472 3.185 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 75 15.334 1.877 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.290 1.832 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.051 0.869 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.331 2.491 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.736 3.775 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.788 4.497 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.552 4.326 -4.108 1.00 0.00 H new ATOM 1202 N ARG A 76 14.292 3.794 0.410 1.00 0.00 N ATOM 1203 CA ARG A 76 13.723 3.705 1.762 1.00 0.00 C ATOM 1204 C ARG A 76 12.201 3.789 1.716 1.00 0.00 C ATOM 1205 O ARG A 76 11.646 4.460 0.845 1.00 0.00 O ATOM 1206 CB ARG A 76 14.352 4.752 2.702 1.00 0.00 C ATOM 1207 CG ARG A 76 13.818 6.179 2.508 1.00 0.00 C ATOM 1208 CD ARG A 76 14.518 7.153 3.458 1.00 0.00 C ATOM 1209 NE ARG A 76 13.809 8.446 3.494 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.018 8.915 4.441 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.773 8.271 5.547 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.442 10.065 4.267 1.00 0.00 N ATOM 0 H ARG A 76 13.851 4.516 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 76 13.972 2.729 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.176 4.448 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.431 4.757 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.975 6.494 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.743 6.198 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.558 6.726 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.548 7.306 3.136 1.00 0.00 H new ATOM 0 HE ARG A 76 13.947 9.053 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.201 7.360 5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.154 8.678 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.604 10.592 3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.828 10.442 4.989 1.00 0.00 H new ATOM 1226 N LEU A 77 11.534 3.128 2.658 1.00 0.00 N ATOM 1227 CA LEU A 77 10.099 3.299 2.884 1.00 0.00 C ATOM 1228 C LEU A 77 9.860 4.534 3.767 1.00 0.00 C ATOM 1229 O LEU A 77 10.594 4.775 4.727 1.00 0.00 O ATOM 1230 CB LEU A 77 9.524 2.005 3.483 1.00 0.00 C ATOM 1231 CG LEU A 77 8.028 2.054 3.808 1.00 0.00 C ATOM 1232 CD1 LEU A 77 7.205 2.106 2.517 1.00 0.00 C ATOM 1233 CD2 LEU A 77 7.610 0.811 4.581 1.00 0.00 C ATOM 0 H LEU A 77 11.973 2.457 3.288 1.00 0.00 H new ATOM 0 HA LEU A 77 9.575 3.479 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.703 1.188 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.072 1.770 4.396 1.00 0.00 H new ATOM 0 HG LEU A 77 7.847 2.946 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.144 2.140 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.475 2.996 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.410 1.218 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.544 0.862 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.813 -0.076 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.173 0.755 5.513 1.00 0.00 H new ATOM 1245 N THR A 78 8.839 5.326 3.443 1.00 0.00 N ATOM 1246 CA THR A 78 8.498 6.567 4.155 1.00 0.00 C ATOM 1247 C THR A 78 7.025 6.934 3.929 1.00 0.00 C ATOM 1248 O THR A 78 6.416 6.494 2.951 1.00 0.00 O ATOM 1249 CB THR A 78 9.466 7.689 3.721 1.00 0.00 C ATOM 1250 OG1 THR A 78 9.177 8.903 4.380 1.00 0.00 O ATOM 1251 CG2 THR A 78 9.475 7.962 2.213 1.00 0.00 C ATOM 0 H THR A 78 8.211 5.124 2.665 1.00 0.00 H new ATOM 0 HA THR A 78 8.617 6.423 5.229 1.00 0.00 H new ATOM 0 HB THR A 78 10.451 7.317 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.808 9.593 4.086 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.181 8.763 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.774 7.059 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.477 8.259 1.891 1.00 0.00 H new ATOM 1259 N THR A 79 6.407 7.710 4.822 1.00 0.00 N ATOM 1260 CA THR A 79 5.074 8.274 4.557 1.00 0.00 C ATOM 1261 C THR A 79 5.158 9.363 3.478 1.00 0.00 C ATOM 1262 O THR A 79 6.025 10.240 3.513 1.00 0.00 O ATOM 1263 CB THR A 79 4.374 8.789 5.824 1.00 0.00 C ATOM 1264 OG1 THR A 79 5.203 9.654 6.575 1.00 0.00 O ATOM 1265 CG2 THR A 79 3.931 7.639 6.731 1.00 0.00 C ATOM 0 H THR A 79 6.801 7.963 5.728 1.00 0.00 H new ATOM 0 HA THR A 79 4.452 7.460 4.185 1.00 0.00 H new ATOM 0 HB THR A 79 3.500 9.341 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.720 9.960 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.440 8.042 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.235 6.997 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.802 7.057 7.032 1.00 0.00 H new ATOM 1273 N SER A 80 4.260 9.288 2.496 1.00 0.00 N ATOM 1274 CA SER A 80 4.199 10.181 1.329 1.00 0.00 C ATOM 1275 C SER A 80 3.791 11.622 1.708 1.00 0.00 C ATOM 1276 O SER A 80 3.269 11.847 2.808 1.00 0.00 O ATOM 1277 CB SER A 80 3.224 9.584 0.303 1.00 0.00 C ATOM 1278 OG SER A 80 1.883 9.696 0.739 1.00 0.00 O ATOM 0 H SER A 80 3.526 8.579 2.487 1.00 0.00 H new ATOM 0 HA SER A 80 5.197 10.254 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.341 10.095 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.467 8.535 0.135 1.00 0.00 H new ATOM 0 HG SER A 80 1.737 9.102 1.505 1.00 0.00 H new