USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl -114:sc= -0.0706 (180deg=-1) USER MOD Set 2.1: A 96 THR OG1 : rot 80:sc= 0.395 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.425 F(o=0.23,f=0.82) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 180:sc= 0.0512 (180deg=0) USER MOD Set 3.2: A 68 SER OG : rot 160:sc= 0.05 USER MOD Set 4.1: A 23 TYR OH : rot 145:sc= -1.72! USER MOD Set 4.2: A 112 HIS :FLIP no HE2:sc= -14.7! C(o=-18!,f=-16!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -2.03 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -93:sc= 0.96 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00387 K(o=-0.0039,f=-0.99) USER MOD Single : A 30 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.763 K(o=-0.76,f=-2.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -5.49 K(o=-5.5,f=-13!) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= 0.0202 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.05) USER MOD Single : A 51 MET CE :methyl -158:sc= -9.47! (180deg=-12.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc=-0.00714 (180deg=-0.019) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -106:sc= -0.184 (180deg=-2.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.81 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -63:sc= -2.8! USER MOD Single : A 83 SER OG : rot -62:sc= 1.18 USER MOD Single : A 84 ASN : amide:sc= 0.734 K(o=0.73,f=-0.048) USER MOD Single : A 87 ASN : amide:sc= -0.752 X(o=-0.75,f=-1.1) USER MOD Single : A 92 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 98 THR OG1 : rot -100:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 32:sc= 0.052 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.161 3.376 14.682 1.00 0.00 N ATOM 194 CA TYR A 12 -2.508 4.660 15.284 1.00 0.00 C ATOM 195 C TYR A 12 -3.977 4.998 15.046 1.00 0.00 C ATOM 196 O TYR A 12 -4.776 5.025 15.982 1.00 0.00 O ATOM 197 CB TYR A 12 -1.610 5.769 14.709 1.00 0.00 C ATOM 198 CG TYR A 12 -0.231 5.282 14.309 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.078 4.311 13.327 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.913 5.775 14.925 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.166 3.843 12.971 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.167 5.312 14.570 1.00 0.00 C ATOM 203 CZ TYR A 12 2.287 4.345 13.595 1.00 0.00 C ATOM 204 OH TYR A 12 3.533 3.885 13.235 1.00 0.00 O ATOM 0 HA TYR A 12 -2.347 4.588 16.360 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.099 6.207 13.839 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.506 6.562 15.449 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.953 3.916 12.833 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.822 6.530 15.692 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.263 3.086 12.207 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.048 5.706 15.054 1.00 0.00 H new ATOM 0 HH TYR A 12 4.217 4.341 13.769 1.00 0.00 H new ATOM 214 N GLY A 13 -4.326 5.253 13.790 1.00 0.00 N ATOM 215 CA GLY A 13 -5.699 5.584 13.457 1.00 0.00 C ATOM 216 C GLY A 13 -5.844 6.122 12.048 1.00 0.00 C ATOM 217 O GLY A 13 -6.285 5.409 11.147 1.00 0.00 O ATOM 0 H GLY A 13 -3.684 5.237 12.998 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.320 4.695 13.568 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.072 6.324 14.165 1.00 0.00 H new ATOM 221 N ILE A 14 -5.475 7.385 11.855 1.00 0.00 N ATOM 222 CA ILE A 14 -5.570 8.015 10.543 1.00 0.00 C ATOM 223 C ILE A 14 -4.817 7.209 9.491 1.00 0.00 C ATOM 224 O ILE A 14 -5.329 6.964 8.399 1.00 0.00 O ATOM 225 CB ILE A 14 -5.022 9.457 10.569 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.188 10.121 9.199 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.561 9.464 10.993 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.607 10.083 8.674 1.00 0.00 C ATOM 0 H ILE A 14 -5.108 7.991 12.589 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.628 8.045 10.281 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.595 10.029 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.862 11.159 9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.531 9.626 8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.191 10.489 11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.469 9.033 11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.975 8.875 10.288 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.648 10.571 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.930 9.047 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.266 10.603 9.369 1.00 0.00 H new ATOM 240 N GLU A 15 -3.602 6.790 9.829 1.00 0.00 N ATOM 241 CA GLU A 15 -2.788 6.005 8.912 1.00 0.00 C ATOM 242 C GLU A 15 -3.346 4.593 8.783 1.00 0.00 C ATOM 243 O GLU A 15 -3.265 3.977 7.720 1.00 0.00 O ATOM 244 CB GLU A 15 -1.336 5.958 9.391 1.00 0.00 C ATOM 245 CG GLU A 15 -0.442 6.984 8.714 1.00 0.00 C ATOM 246 CD GLU A 15 0.925 6.427 8.365 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.051 5.785 7.301 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.869 6.631 9.157 1.00 0.00 O ATOM 0 H GLU A 15 -3.161 6.981 10.729 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.815 6.482 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.312 6.121 10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.934 4.961 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.928 7.340 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.322 7.846 9.371 1.00 0.00 H new ATOM 255 N GLY A 16 -3.923 4.091 9.869 1.00 0.00 N ATOM 256 CA GLY A 16 -4.499 2.760 9.850 1.00 0.00 C ATOM 257 C GLY A 16 -5.813 2.724 9.099 1.00 0.00 C ATOM 258 O GLY A 16 -6.185 1.698 8.531 1.00 0.00 O ATOM 0 H GLY A 16 -4.002 4.581 10.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.797 2.067 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.656 2.418 10.873 1.00 0.00 H new ATOM 262 N ARG A 17 -6.515 3.855 9.089 1.00 0.00 N ATOM 263 CA ARG A 17 -7.792 3.953 8.396 1.00 0.00 C ATOM 264 C ARG A 17 -7.583 3.947 6.887 1.00 0.00 C ATOM 265 O ARG A 17 -8.464 3.538 6.134 1.00 0.00 O ATOM 266 CB ARG A 17 -8.533 5.223 8.818 1.00 0.00 C ATOM 267 CG ARG A 17 -10.045 5.101 8.737 1.00 0.00 C ATOM 268 CD ARG A 17 -10.707 6.455 8.530 1.00 0.00 C ATOM 269 NE ARG A 17 -11.438 6.893 9.717 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.862 7.448 10.781 1.00 0.00 C ATOM 271 NH1 ARG A 17 -9.548 7.632 10.813 1.00 0.00 N ATOM 272 NH2 ARG A 17 -11.602 7.817 11.818 1.00 0.00 N ATOM 0 H ARG A 17 -6.219 4.714 9.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.396 3.088 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.252 5.475 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.209 6.050 8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.313 4.435 7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.423 4.647 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.948 7.195 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.391 6.399 7.683 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.450 6.766 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.974 7.348 10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.112 8.058 11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.612 7.675 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.161 8.242 12.634 1.00 0.00 H new ATOM 286 N TYR A 18 -6.409 4.396 6.448 1.00 0.00 N ATOM 287 CA TYR A 18 -6.089 4.427 5.026 1.00 0.00 C ATOM 288 C TYR A 18 -6.285 3.051 4.411 1.00 0.00 C ATOM 289 O TYR A 18 -6.961 2.901 3.393 1.00 0.00 O ATOM 290 CB TYR A 18 -4.643 4.884 4.820 1.00 0.00 C ATOM 291 CG TYR A 18 -4.515 6.292 4.297 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.953 7.373 5.049 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.953 6.542 3.052 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.836 8.664 4.577 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.830 7.830 2.571 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.274 8.889 3.337 1.00 0.00 C ATOM 297 OH TYR A 18 -4.154 10.175 2.863 1.00 0.00 O ATOM 0 H TYR A 18 -5.667 4.742 7.056 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.759 5.133 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.110 4.809 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.153 4.203 4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.393 7.201 6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.606 5.715 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.182 9.494 5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.389 8.008 1.601 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.737 10.159 1.976 1.00 0.00 H new ATOM 307 N ALA A 19 -5.691 2.050 5.043 1.00 0.00 N ATOM 308 CA ALA A 19 -5.801 0.683 4.569 1.00 0.00 C ATOM 309 C ALA A 19 -7.224 0.175 4.732 1.00 0.00 C ATOM 310 O ALA A 19 -7.757 -0.490 3.849 1.00 0.00 O ATOM 311 CB ALA A 19 -4.824 -0.217 5.310 1.00 0.00 C ATOM 0 H ALA A 19 -5.128 2.161 5.886 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.550 0.664 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.920 -1.239 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.806 0.135 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.045 -0.193 6.377 1.00 0.00 H new ATOM 317 N THR A 20 -7.840 0.497 5.862 1.00 0.00 N ATOM 318 CA THR A 20 -9.205 0.065 6.118 1.00 0.00 C ATOM 319 C THR A 20 -10.188 0.794 5.215 1.00 0.00 C ATOM 320 O THR A 20 -11.296 0.312 4.984 1.00 0.00 O ATOM 321 CB THR A 20 -9.576 0.263 7.587 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.536 0.922 8.288 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.851 -1.045 8.293 1.00 0.00 C ATOM 0 H THR A 20 -7.420 1.051 6.609 1.00 0.00 H new ATOM 0 HA THR A 20 -9.263 -1.000 5.893 1.00 0.00 H new ATOM 0 HB THR A 20 -10.483 0.867 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.796 1.039 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.110 -0.849 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.680 -1.556 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.962 -1.674 8.253 1.00 0.00 H new ATOM 331 N ALA A 21 -9.784 1.945 4.689 1.00 0.00 N ATOM 332 CA ALA A 21 -10.649 2.700 3.799 1.00 0.00 C ATOM 333 C ALA A 21 -10.389 2.326 2.346 1.00 0.00 C ATOM 334 O ALA A 21 -11.020 2.860 1.433 1.00 0.00 O ATOM 335 CB ALA A 21 -10.477 4.195 4.015 1.00 0.00 C ATOM 0 H ALA A 21 -8.873 2.370 4.863 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.682 2.444 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.135 4.739 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.730 4.445 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.442 4.474 3.818 1.00 0.00 H new ATOM 341 N LEU A 22 -9.479 1.381 2.141 1.00 0.00 N ATOM 342 CA LEU A 22 -9.161 0.903 0.804 1.00 0.00 C ATOM 343 C LEU A 22 -9.441 -0.577 0.748 1.00 0.00 C ATOM 344 O LEU A 22 -9.997 -1.087 -0.224 1.00 0.00 O ATOM 345 CB LEU A 22 -7.703 1.195 0.446 1.00 0.00 C ATOM 346 CG LEU A 22 -7.270 0.742 -0.952 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.985 -0.753 -0.963 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.332 1.092 -1.985 1.00 0.00 C ATOM 0 H LEU A 22 -8.948 0.931 2.887 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.780 1.424 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.533 2.268 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.061 0.711 1.182 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.353 1.270 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.679 -1.058 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.187 -0.976 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.885 -1.297 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.004 0.761 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.267 0.595 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.486 2.171 -1.997 1.00 0.00 H new ATOM 360 N TYR A 23 -9.093 -1.252 1.828 1.00 0.00 N ATOM 361 CA TYR A 23 -9.347 -2.660 1.939 1.00 0.00 C ATOM 362 C TYR A 23 -10.818 -2.870 2.300 1.00 0.00 C ATOM 363 O TYR A 23 -11.362 -3.947 2.082 1.00 0.00 O ATOM 364 CB TYR A 23 -8.403 -3.293 2.972 1.00 0.00 C ATOM 365 CG TYR A 23 -9.094 -3.908 4.165 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.877 -5.038 4.016 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.967 -3.359 5.432 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.523 -5.608 5.089 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.606 -3.916 6.513 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.388 -5.041 6.341 1.00 0.00 C ATOM 371 OH TYR A 23 -11.027 -5.599 7.422 1.00 0.00 O ATOM 0 H TYR A 23 -8.633 -0.838 2.639 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.152 -3.154 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.808 -4.061 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.709 -2.530 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.984 -5.482 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.356 -2.479 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.130 -6.491 4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.497 -3.476 7.493 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.466 -5.501 8.220 1.00 0.00 H new ATOM 381 N SER A 24 -11.472 -1.822 2.832 1.00 0.00 N ATOM 382 CA SER A 24 -12.886 -1.919 3.181 1.00 0.00 C ATOM 383 C SER A 24 -13.654 -2.494 1.999 1.00 0.00 C ATOM 384 O SER A 24 -14.507 -3.367 2.158 1.00 0.00 O ATOM 385 CB SER A 24 -13.444 -0.548 3.569 1.00 0.00 C ATOM 386 OG SER A 24 -14.812 -0.425 3.215 1.00 0.00 O ATOM 0 H SER A 24 -11.046 -0.915 3.024 1.00 0.00 H new ATOM 0 HA SER A 24 -12.998 -2.579 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.330 -0.398 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.867 0.234 3.075 1.00 0.00 H new ATOM 0 HG SER A 24 -15.139 0.461 3.477 1.00 0.00 H new ATOM 392 N ALA A 25 -13.305 -2.024 0.806 1.00 0.00 N ATOM 393 CA ALA A 25 -13.918 -2.518 -0.414 1.00 0.00 C ATOM 394 C ALA A 25 -13.410 -3.922 -0.682 1.00 0.00 C ATOM 395 O ALA A 25 -14.152 -4.795 -1.136 1.00 0.00 O ATOM 396 CB ALA A 25 -13.606 -1.597 -1.585 1.00 0.00 C ATOM 0 H ALA A 25 -12.600 -1.301 0.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.001 -2.540 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.075 -1.986 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.992 -0.599 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.527 -1.545 -1.730 1.00 0.00 H new ATOM 402 N ALA A 26 -12.135 -4.134 -0.370 1.00 0.00 N ATOM 403 CA ALA A 26 -11.513 -5.439 -0.547 1.00 0.00 C ATOM 404 C ALA A 26 -12.128 -6.465 0.400 1.00 0.00 C ATOM 405 O ALA A 26 -12.170 -7.656 0.097 1.00 0.00 O ATOM 406 CB ALA A 26 -10.014 -5.345 -0.314 1.00 0.00 C ATOM 0 H ALA A 26 -11.514 -3.418 0.007 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.692 -5.765 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.562 -6.328 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.578 -4.644 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.825 -4.996 0.701 1.00 0.00 H new ATOM 412 N SER A 27 -12.605 -5.991 1.548 1.00 0.00 N ATOM 413 CA SER A 27 -13.221 -6.861 2.543 1.00 0.00 C ATOM 414 C SER A 27 -14.522 -7.444 2.004 1.00 0.00 C ATOM 415 O SER A 27 -14.753 -8.650 2.084 1.00 0.00 O ATOM 416 CB SER A 27 -13.490 -6.084 3.834 1.00 0.00 C ATOM 417 OG SER A 27 -14.744 -5.424 3.785 1.00 0.00 O ATOM 0 H SER A 27 -12.576 -5.006 1.812 1.00 0.00 H new ATOM 0 HA SER A 27 -12.534 -7.678 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.469 -6.767 4.683 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.697 -5.353 3.993 1.00 0.00 H new ATOM 0 HG SER A 27 -14.621 -4.512 3.449 1.00 0.00 H new ATOM 423 N LYS A 28 -15.366 -6.578 1.447 1.00 0.00 N ATOM 424 CA LYS A 28 -16.640 -7.008 0.884 1.00 0.00 C ATOM 425 C LYS A 28 -16.421 -8.130 -0.123 1.00 0.00 C ATOM 426 O LYS A 28 -17.254 -9.024 -0.268 1.00 0.00 O ATOM 427 CB LYS A 28 -17.351 -5.831 0.211 1.00 0.00 C ATOM 428 CG LYS A 28 -18.256 -5.051 1.148 1.00 0.00 C ATOM 429 CD LYS A 28 -19.350 -4.320 0.385 1.00 0.00 C ATOM 430 CE LYS A 28 -20.653 -4.296 1.167 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.536 -3.498 2.419 1.00 0.00 N ATOM 0 H LYS A 28 -15.189 -5.576 1.374 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.268 -7.379 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.603 -5.155 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.943 -6.205 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.707 -5.731 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.663 -4.332 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.030 -3.299 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.511 -4.806 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.443 -3.878 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.947 -5.316 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.446 -3.507 2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.800 -3.911 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.280 -2.518 2.183 1.00 0.00 H new ATOM 445 N GLN A 29 -15.281 -8.080 -0.805 1.00 0.00 N ATOM 446 CA GLN A 29 -14.932 -9.094 -1.787 1.00 0.00 C ATOM 447 C GLN A 29 -14.212 -10.255 -1.112 1.00 0.00 C ATOM 448 O GLN A 29 -14.464 -11.418 -1.429 1.00 0.00 O ATOM 449 CB GLN A 29 -14.047 -8.495 -2.882 1.00 0.00 C ATOM 450 CG GLN A 29 -14.827 -7.748 -3.952 1.00 0.00 C ATOM 451 CD GLN A 29 -13.945 -7.273 -5.091 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.874 -7.828 -5.334 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.394 -6.241 -5.797 1.00 0.00 N ATOM 0 H GLN A 29 -14.583 -7.345 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.850 -9.464 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.329 -7.814 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.474 -9.294 -3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.607 -8.398 -4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.325 -6.890 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.288 -5.811 -5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.844 -5.878 -6.576 1.00 0.00 H new ATOM 462 N ASN A 30 -13.309 -9.922 -0.182 1.00 0.00 N ATOM 463 CA ASN A 30 -12.527 -10.913 0.558 1.00 0.00 C ATOM 464 C ASN A 30 -11.160 -11.076 -0.081 1.00 0.00 C ATOM 465 O ASN A 30 -10.572 -12.158 -0.059 1.00 0.00 O ATOM 466 CB ASN A 30 -13.241 -12.268 0.629 1.00 0.00 C ATOM 467 CG ASN A 30 -12.747 -13.123 1.780 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.618 -12.964 2.246 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.591 -14.036 2.244 1.00 0.00 N ATOM 0 H ASN A 30 -13.102 -8.957 0.077 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.412 -10.549 1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.314 -12.105 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.091 -12.804 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.314 -14.641 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.517 -14.133 1.828 1.00 0.00 H new ATOM 476 N LYS A 31 -10.661 -9.987 -0.649 1.00 0.00 N ATOM 477 CA LYS A 31 -9.363 -9.994 -1.300 1.00 0.00 C ATOM 478 C LYS A 31 -8.254 -9.621 -0.321 1.00 0.00 C ATOM 479 O LYS A 31 -7.123 -9.379 -0.730 1.00 0.00 O ATOM 480 CB LYS A 31 -9.361 -9.030 -2.487 1.00 0.00 C ATOM 481 CG LYS A 31 -9.986 -9.616 -3.743 1.00 0.00 C ATOM 482 CD LYS A 31 -8.992 -10.469 -4.516 1.00 0.00 C ATOM 483 CE LYS A 31 -8.579 -9.804 -5.820 1.00 0.00 C ATOM 484 NZ LYS A 31 -8.206 -10.802 -6.860 1.00 0.00 N ATOM 0 H LYS A 31 -11.139 -9.086 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.173 -11.005 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.901 -8.124 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.334 -8.736 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.852 -10.220 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.348 -8.809 -4.381 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.109 -10.647 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.434 -11.443 -4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.398 -9.186 -6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.735 -9.139 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.931 -10.308 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.407 -11.375 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.019 -11.421 -7.054 1.00 0.00 H new ATOM 498 N LEU A 32 -8.575 -9.583 0.977 1.00 0.00 N ATOM 499 CA LEU A 32 -7.591 -9.252 1.998 1.00 0.00 C ATOM 500 C LEU A 32 -6.288 -10.008 1.770 1.00 0.00 C ATOM 501 O LEU A 32 -5.215 -9.529 2.123 1.00 0.00 O ATOM 502 CB LEU A 32 -8.169 -9.569 3.371 1.00 0.00 C ATOM 503 CG LEU A 32 -9.083 -8.481 3.937 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.256 -7.465 4.710 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.874 -7.804 2.824 1.00 0.00 C ATOM 0 H LEU A 32 -9.509 -9.778 1.339 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.362 -8.188 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.729 -10.502 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.348 -9.736 4.068 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.799 -8.942 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.911 -6.692 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.740 -7.964 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.523 -7.010 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.517 -7.034 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.185 -7.348 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.487 -8.545 2.311 1.00 0.00 H new ATOM 517 N GLU A 33 -6.387 -11.181 1.155 1.00 0.00 N ATOM 518 CA GLU A 33 -5.207 -11.983 0.859 1.00 0.00 C ATOM 519 C GLU A 33 -4.448 -11.379 -0.320 1.00 0.00 C ATOM 520 O GLU A 33 -3.221 -11.446 -0.386 1.00 0.00 O ATOM 521 CB GLU A 33 -5.605 -13.427 0.547 1.00 0.00 C ATOM 522 CG GLU A 33 -5.695 -14.312 1.779 1.00 0.00 C ATOM 523 CD GLU A 33 -4.404 -15.059 2.056 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.159 -16.088 1.391 1.00 0.00 O ATOM 525 OE2 GLU A 33 -3.639 -14.616 2.938 1.00 0.00 O ATOM 0 H GLU A 33 -7.268 -11.596 0.853 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.558 -11.986 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.569 -13.428 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.879 -13.854 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.949 -13.699 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.505 -15.030 1.648 1.00 0.00 H new ATOM 532 N GLN A 34 -5.197 -10.778 -1.241 1.00 0.00 N ATOM 533 CA GLN A 34 -4.617 -10.142 -2.417 1.00 0.00 C ATOM 534 C GLN A 34 -4.251 -8.686 -2.128 1.00 0.00 C ATOM 535 O GLN A 34 -3.569 -8.041 -2.923 1.00 0.00 O ATOM 536 CB GLN A 34 -5.594 -10.213 -3.591 1.00 0.00 C ATOM 537 CG GLN A 34 -5.015 -9.687 -4.894 1.00 0.00 C ATOM 538 CD GLN A 34 -3.830 -10.498 -5.377 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.599 -11.618 -4.918 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.069 -9.936 -6.310 1.00 0.00 N ATOM 0 H GLN A 34 -6.214 -10.719 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.705 -10.679 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.905 -11.248 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.489 -9.642 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.790 -9.693 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.709 -8.650 -4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.297 -9.006 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.257 -10.434 -6.674 1.00 0.00 H new ATOM 549 N VAL A 35 -4.703 -8.176 -0.985 1.00 0.00 N ATOM 550 CA VAL A 35 -4.413 -6.800 -0.596 1.00 0.00 C ATOM 551 C VAL A 35 -3.418 -6.770 0.559 1.00 0.00 C ATOM 552 O VAL A 35 -2.622 -5.841 0.682 1.00 0.00 O ATOM 553 CB VAL A 35 -5.687 -6.034 -0.162 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.608 -4.583 -0.607 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.959 -6.695 -0.694 1.00 0.00 C ATOM 0 H VAL A 35 -5.270 -8.694 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.993 -6.311 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.738 -6.067 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.510 -4.057 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.737 -4.110 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.520 -4.540 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.829 -6.126 -0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.929 -6.717 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.027 -7.714 -0.312 1.00 0.00 H new ATOM 565 N GLU A 36 -3.465 -7.802 1.397 1.00 0.00 N ATOM 566 CA GLU A 36 -2.564 -7.904 2.540 1.00 0.00 C ATOM 567 C GLU A 36 -1.170 -8.251 2.056 1.00 0.00 C ATOM 568 O GLU A 36 -0.189 -7.607 2.429 1.00 0.00 O ATOM 569 CB GLU A 36 -3.054 -8.962 3.531 1.00 0.00 C ATOM 570 CG GLU A 36 -2.169 -9.102 4.758 1.00 0.00 C ATOM 571 CD GLU A 36 -2.624 -10.216 5.681 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.440 -11.398 5.321 1.00 0.00 O ATOM 573 OE2 GLU A 36 -3.163 -9.906 6.764 1.00 0.00 O ATOM 0 H GLU A 36 -4.118 -8.580 1.305 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.543 -6.943 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.065 -8.709 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.112 -9.925 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.144 -9.293 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.163 -8.160 5.307 1.00 0.00 H new ATOM 580 N LYS A 37 -1.096 -9.249 1.186 1.00 0.00 N ATOM 581 CA LYS A 37 0.172 -9.651 0.610 1.00 0.00 C ATOM 582 C LYS A 37 0.668 -8.524 -0.277 1.00 0.00 C ATOM 583 O LYS A 37 1.870 -8.322 -0.445 1.00 0.00 O ATOM 584 CB LYS A 37 0.019 -10.941 -0.199 1.00 0.00 C ATOM 585 CG LYS A 37 1.330 -11.467 -0.760 1.00 0.00 C ATOM 586 CD LYS A 37 1.111 -12.687 -1.639 1.00 0.00 C ATOM 587 CE LYS A 37 1.327 -13.977 -0.864 1.00 0.00 C ATOM 588 NZ LYS A 37 2.773 -14.294 -0.705 1.00 0.00 N ATOM 0 H LYS A 37 -1.899 -9.791 0.867 1.00 0.00 H new ATOM 0 HA LYS A 37 0.891 -9.848 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.428 -11.707 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.674 -10.764 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.819 -10.684 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.001 -11.724 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.099 -12.669 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.794 -12.653 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.864 -13.892 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.830 -14.798 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.877 -15.181 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.210 -14.401 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.243 -13.522 -0.190 1.00 0.00 H new ATOM 602 N GLU A 38 -0.289 -7.773 -0.824 1.00 0.00 N ATOM 603 CA GLU A 38 0.015 -6.644 -1.673 1.00 0.00 C ATOM 604 C GLU A 38 0.169 -5.369 -0.839 1.00 0.00 C ATOM 605 O GLU A 38 0.234 -4.266 -1.376 1.00 0.00 O ATOM 606 CB GLU A 38 -1.095 -6.476 -2.709 1.00 0.00 C ATOM 607 CG GLU A 38 -1.053 -7.501 -3.836 1.00 0.00 C ATOM 608 CD GLU A 38 -0.864 -8.923 -3.339 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.250 -9.247 -2.876 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.828 -9.712 -3.416 1.00 0.00 O ATOM 0 H GLU A 38 -1.286 -7.937 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 38 0.960 -6.826 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.060 -6.543 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.029 -5.476 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.979 -7.442 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.241 -7.250 -4.518 1.00 0.00 H new ATOM 617 N LEU A 39 0.248 -5.529 0.478 1.00 0.00 N ATOM 618 CA LEU A 39 0.425 -4.397 1.377 1.00 0.00 C ATOM 619 C LEU A 39 1.818 -4.451 1.985 1.00 0.00 C ATOM 620 O LEU A 39 2.448 -3.419 2.219 1.00 0.00 O ATOM 621 CB LEU A 39 -0.641 -4.400 2.477 1.00 0.00 C ATOM 622 CG LEU A 39 -1.514 -3.143 2.531 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.837 -3.379 1.821 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.750 -2.719 3.974 1.00 0.00 C ATOM 0 H LEU A 39 0.192 -6.434 0.946 1.00 0.00 H new ATOM 0 HA LEU A 39 0.313 -3.473 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.286 -5.267 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.147 -4.524 3.441 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.989 -2.338 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.443 -2.474 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.650 -3.634 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.368 -4.198 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.372 -1.824 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.253 -3.523 4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.794 -2.506 4.452 1.00 0.00 H new ATOM 636 N LEU A 40 2.301 -5.669 2.215 1.00 0.00 N ATOM 637 CA LEU A 40 3.630 -5.867 2.768 1.00 0.00 C ATOM 638 C LEU A 40 4.684 -5.513 1.725 1.00 0.00 C ATOM 639 O LEU A 40 5.796 -5.110 2.064 1.00 0.00 O ATOM 640 CB LEU A 40 3.808 -7.317 3.225 1.00 0.00 C ATOM 641 CG LEU A 40 4.742 -7.509 4.421 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.975 -7.362 5.726 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.425 -8.866 4.351 1.00 0.00 C ATOM 0 H LEU A 40 1.789 -6.531 2.026 1.00 0.00 H new ATOM 0 HA LEU A 40 3.751 -5.214 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.829 -7.725 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.190 -7.901 2.388 1.00 0.00 H new ATOM 0 HG LEU A 40 5.510 -6.736 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.656 -7.502 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.534 -6.367 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.185 -8.112 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.086 -8.986 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.671 -9.654 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.008 -8.933 3.432 1.00 0.00 H new ATOM 655 N ARG A 41 4.320 -5.657 0.450 1.00 0.00 N ATOM 656 CA ARG A 41 5.233 -5.341 -0.639 1.00 0.00 C ATOM 657 C ARG A 41 5.586 -3.858 -0.621 1.00 0.00 C ATOM 658 O ARG A 41 6.753 -3.486 -0.743 1.00 0.00 O ATOM 659 CB ARG A 41 4.609 -5.719 -1.985 1.00 0.00 C ATOM 660 CG ARG A 41 5.176 -6.998 -2.578 1.00 0.00 C ATOM 661 CD ARG A 41 4.456 -8.227 -2.047 1.00 0.00 C ATOM 662 NE ARG A 41 4.858 -8.547 -0.679 1.00 0.00 N ATOM 663 CZ ARG A 41 4.665 -9.735 -0.109 1.00 0.00 C ATOM 664 NH1 ARG A 41 4.078 -10.715 -0.784 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.061 -9.942 1.139 1.00 0.00 N ATOM 0 H ARG A 41 3.403 -5.989 0.151 1.00 0.00 H new ATOM 0 HA ARG A 41 6.147 -5.920 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.532 -5.833 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.762 -4.902 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.090 -6.966 -3.664 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.238 -7.068 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.380 -8.059 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.665 -9.078 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 41 5.313 -7.818 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.772 -10.561 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.933 -11.623 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.513 -9.192 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.914 -10.852 1.577 1.00 0.00 H new ATOM 679 N VAL A 42 4.570 -3.013 -0.462 1.00 0.00 N ATOM 680 CA VAL A 42 4.779 -1.573 -0.420 1.00 0.00 C ATOM 681 C VAL A 42 5.595 -1.177 0.806 1.00 0.00 C ATOM 682 O VAL A 42 6.275 -0.151 0.809 1.00 0.00 O ATOM 683 CB VAL A 42 3.437 -0.812 -0.412 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.668 0.693 -0.380 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.598 -1.202 -1.619 1.00 0.00 C ATOM 0 H VAL A 42 3.597 -3.302 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 42 5.331 -1.301 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 42 2.892 -1.089 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.708 1.208 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.226 0.956 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.236 0.993 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.655 -0.656 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.139 -0.957 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.398 -2.273 -1.592 1.00 0.00 H new ATOM 695 N GLY A 43 5.535 -2.006 1.842 1.00 0.00 N ATOM 696 CA GLY A 43 6.285 -1.735 3.053 1.00 0.00 C ATOM 697 C GLY A 43 7.699 -2.262 2.960 1.00 0.00 C ATOM 698 O GLY A 43 8.633 -1.664 3.495 1.00 0.00 O ATOM 0 H GLY A 43 4.980 -2.861 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.308 -0.661 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.781 -2.192 3.904 1.00 0.00 H new ATOM 702 N GLN A 44 7.857 -3.382 2.263 1.00 0.00 N ATOM 703 CA GLN A 44 9.165 -3.990 2.081 1.00 0.00 C ATOM 704 C GLN A 44 9.970 -3.209 1.047 1.00 0.00 C ATOM 705 O GLN A 44 11.201 -3.194 1.086 1.00 0.00 O ATOM 706 CB GLN A 44 9.020 -5.450 1.642 1.00 0.00 C ATOM 707 CG GLN A 44 9.198 -6.446 2.777 1.00 0.00 C ATOM 708 CD GLN A 44 8.100 -6.346 3.819 1.00 0.00 C ATOM 709 OE1 GLN A 44 7.430 -5.320 3.934 1.00 0.00 O ATOM 710 NE2 GLN A 44 7.913 -7.414 4.584 1.00 0.00 N ATOM 0 H GLN A 44 7.092 -3.886 1.815 1.00 0.00 H new ATOM 0 HA GLN A 44 9.695 -3.964 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.035 -5.591 1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.754 -5.662 0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.216 -7.457 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.163 -6.278 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.493 -8.243 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.190 -7.406 5.303 1.00 0.00 H new ATOM 719 N ILE A 45 9.266 -2.556 0.125 1.00 0.00 N ATOM 720 CA ILE A 45 9.915 -1.767 -0.912 1.00 0.00 C ATOM 721 C ILE A 45 10.381 -0.423 -0.371 1.00 0.00 C ATOM 722 O ILE A 45 11.087 0.320 -1.053 1.00 0.00 O ATOM 723 CB ILE A 45 8.977 -1.548 -2.118 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.587 -2.892 -2.735 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.637 -0.658 -3.163 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.214 -2.890 -3.371 1.00 0.00 C ATOM 0 H ILE A 45 8.247 -2.559 0.077 1.00 0.00 H new ATOM 0 HA ILE A 45 10.786 -2.330 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 45 8.075 -1.048 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.327 -3.165 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.619 -3.660 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.957 -0.518 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.871 0.310 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.555 -1.129 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.005 -3.875 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.464 -2.648 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.183 -2.145 -4.166 1.00 0.00 H new ATOM 738 N LEU A 46 10.003 -0.118 0.862 1.00 0.00 N ATOM 739 CA LEU A 46 10.410 1.129 1.482 1.00 0.00 C ATOM 740 C LEU A 46 11.524 0.874 2.486 1.00 0.00 C ATOM 741 O LEU A 46 12.311 1.768 2.801 1.00 0.00 O ATOM 742 CB LEU A 46 9.219 1.801 2.171 1.00 0.00 C ATOM 743 CG LEU A 46 8.149 2.389 1.240 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.245 3.906 1.209 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.263 1.822 -0.170 1.00 0.00 C ATOM 0 H LEU A 46 9.419 -0.715 1.448 1.00 0.00 H new ATOM 0 HA LEU A 46 10.781 1.798 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.742 1.070 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.597 2.600 2.809 1.00 0.00 H new ATOM 0 HG LEU A 46 7.174 2.105 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.479 4.306 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.095 4.301 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.230 4.201 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.490 2.260 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.245 2.060 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.136 0.740 -0.138 1.00 0.00 H new ATOM 757 N LYS A 47 11.590 -0.358 2.977 1.00 0.00 N ATOM 758 CA LYS A 47 12.610 -0.746 3.935 1.00 0.00 C ATOM 759 C LYS A 47 13.931 -1.029 3.228 1.00 0.00 C ATOM 760 O LYS A 47 15.000 -0.915 3.828 1.00 0.00 O ATOM 761 CB LYS A 47 12.163 -1.980 4.721 1.00 0.00 C ATOM 762 CG LYS A 47 13.116 -2.369 5.839 1.00 0.00 C ATOM 763 CD LYS A 47 14.122 -3.411 5.375 1.00 0.00 C ATOM 764 CE LYS A 47 13.587 -4.821 5.556 1.00 0.00 C ATOM 765 NZ LYS A 47 14.386 -5.821 4.795 1.00 0.00 N ATOM 0 H LYS A 47 10.945 -1.106 2.724 1.00 0.00 H new ATOM 0 HA LYS A 47 12.756 0.081 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.177 -1.792 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.060 -2.820 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.644 -1.484 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.548 -2.760 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.362 -3.244 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.050 -3.298 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.596 -5.079 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.549 -4.860 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.755 -6.561 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.868 -5.350 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.094 -6.251 5.424 1.00 0.00 H new ATOM 779 N GLU A 48 13.857 -1.398 1.949 1.00 0.00 N ATOM 780 CA GLU A 48 15.060 -1.692 1.182 1.00 0.00 C ATOM 781 C GLU A 48 15.748 -0.404 0.731 1.00 0.00 C ATOM 782 O GLU A 48 15.084 0.572 0.380 1.00 0.00 O ATOM 783 CB GLU A 48 14.718 -2.549 -0.034 1.00 0.00 C ATOM 784 CG GLU A 48 14.695 -4.041 0.256 1.00 0.00 C ATOM 785 CD GLU A 48 15.972 -4.531 0.909 1.00 0.00 C ATOM 786 OE1 GLU A 48 16.915 -4.890 0.173 1.00 0.00 O ATOM 787 OE2 GLU A 48 16.029 -4.555 2.156 1.00 0.00 O ATOM 0 H GLU A 48 12.985 -1.499 1.430 1.00 0.00 H new ATOM 0 HA GLU A 48 15.744 -2.243 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.743 -2.247 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.445 -2.352 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.850 -4.267 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.536 -4.585 -0.675 1.00 0.00 H new ATOM 794 N PRO A 49 17.092 -0.384 0.735 1.00 0.00 N ATOM 795 CA PRO A 49 17.865 0.791 0.324 1.00 0.00 C ATOM 796 C PRO A 49 17.936 0.941 -1.192 1.00 0.00 C ATOM 797 O PRO A 49 18.087 2.048 -1.710 1.00 0.00 O ATOM 798 CB PRO A 49 19.250 0.508 0.898 1.00 0.00 C ATOM 799 CG PRO A 49 19.358 -0.978 0.896 1.00 0.00 C ATOM 800 CD PRO A 49 17.967 -1.503 1.139 1.00 0.00 C ATOM 0 HA PRO A 49 17.419 1.721 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.032 0.964 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.352 0.912 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.749 -1.338 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.043 -1.319 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.769 -2.398 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.817 -1.770 2.185 1.00 0.00 H new ATOM 808 N LYS A 50 17.827 -0.179 -1.899 1.00 0.00 N ATOM 809 CA LYS A 50 17.879 -0.173 -3.356 1.00 0.00 C ATOM 810 C LYS A 50 16.590 0.391 -3.947 1.00 0.00 C ATOM 811 O LYS A 50 16.591 0.943 -5.047 1.00 0.00 O ATOM 812 CB LYS A 50 18.121 -1.587 -3.885 1.00 0.00 C ATOM 813 CG LYS A 50 18.762 -1.621 -5.262 1.00 0.00 C ATOM 814 CD LYS A 50 17.721 -1.765 -6.360 1.00 0.00 C ATOM 815 CE LYS A 50 18.362 -2.099 -7.696 1.00 0.00 C ATOM 816 NZ LYS A 50 19.340 -1.059 -8.119 1.00 0.00 N ATOM 0 H LYS A 50 17.702 -1.103 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 50 18.706 0.468 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.759 -2.124 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.170 -2.119 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.335 -0.707 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.466 -2.451 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.012 -2.548 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.154 -0.838 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.865 -3.063 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.587 -2.198 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.640 -1.243 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.895 -0.121 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.169 -1.086 -7.491 1.00 0.00 H new ATOM 830 N MET A 51 15.494 0.248 -3.210 1.00 0.00 N ATOM 831 CA MET A 51 14.199 0.743 -3.663 1.00 0.00 C ATOM 832 C MET A 51 13.650 1.801 -2.710 1.00 0.00 C ATOM 833 O MET A 51 12.442 2.020 -2.641 1.00 0.00 O ATOM 834 CB MET A 51 13.203 -0.410 -3.792 1.00 0.00 C ATOM 835 CG MET A 51 13.143 -1.303 -2.565 1.00 0.00 C ATOM 836 SD MET A 51 13.513 -3.029 -2.933 1.00 0.00 S ATOM 837 CE MET A 51 12.418 -3.854 -1.780 1.00 0.00 C ATOM 0 H MET A 51 15.476 -0.206 -2.297 1.00 0.00 H new ATOM 0 HA MET A 51 14.341 1.203 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 51 12.210 -0.002 -3.983 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.471 -1.015 -4.658 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.849 -0.936 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.149 -1.236 -2.122 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.782 -4.864 -1.592 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.391 -3.298 -0.843 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.414 -3.902 -2.202 1.00 0.00 H new ATOM 847 N ALA A 52 14.546 2.461 -1.983 1.00 0.00 N ATOM 848 CA ALA A 52 14.149 3.501 -1.042 1.00 0.00 C ATOM 849 C ALA A 52 14.462 4.882 -1.605 1.00 0.00 C ATOM 850 O ALA A 52 13.641 5.796 -1.527 1.00 0.00 O ATOM 851 CB ALA A 52 14.845 3.302 0.296 1.00 0.00 C ATOM 0 H ALA A 52 15.551 2.294 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 52 13.073 3.430 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.537 4.087 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.572 2.330 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.925 3.346 0.155 1.00 0.00 H new ATOM 857 N ALA A 53 15.652 5.023 -2.177 1.00 0.00 N ATOM 858 CA ALA A 53 16.073 6.289 -2.761 1.00 0.00 C ATOM 859 C ALA A 53 15.306 6.574 -4.047 1.00 0.00 C ATOM 860 O ALA A 53 15.091 7.730 -4.411 1.00 0.00 O ATOM 861 CB ALA A 53 17.571 6.276 -3.028 1.00 0.00 C ATOM 0 H ALA A 53 16.342 4.275 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 53 15.852 7.084 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.871 7.229 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.106 6.121 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.810 5.469 -3.720 1.00 0.00 H new ATOM 867 N SER A 54 14.893 5.510 -4.731 1.00 0.00 N ATOM 868 CA SER A 54 14.146 5.646 -5.976 1.00 0.00 C ATOM 869 C SER A 54 12.704 6.059 -5.701 1.00 0.00 C ATOM 870 O SER A 54 12.069 6.717 -6.524 1.00 0.00 O ATOM 871 CB SER A 54 14.173 4.331 -6.756 1.00 0.00 C ATOM 872 OG SER A 54 15.499 3.963 -7.094 1.00 0.00 O ATOM 0 H SER A 54 15.063 4.546 -4.444 1.00 0.00 H new ATOM 0 HA SER A 54 14.620 6.424 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.715 3.542 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.578 4.431 -7.664 1.00 0.00 H new ATOM 0 HG SER A 54 15.488 3.118 -7.590 1.00 0.00 H new ATOM 878 N LEU A 55 12.192 5.668 -4.538 1.00 0.00 N ATOM 879 CA LEU A 55 10.825 6.001 -4.156 1.00 0.00 C ATOM 880 C LEU A 55 10.731 7.448 -3.679 1.00 0.00 C ATOM 881 O LEU A 55 9.682 8.082 -3.793 1.00 0.00 O ATOM 882 CB LEU A 55 10.334 5.052 -3.060 1.00 0.00 C ATOM 883 CG LEU A 55 8.967 4.414 -3.322 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.132 3.010 -3.885 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.139 4.384 -2.046 1.00 0.00 C ATOM 0 H LEU A 55 12.703 5.121 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 55 10.189 5.887 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.070 4.258 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.288 5.600 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 55 8.440 5.020 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.150 2.572 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.686 3.057 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.679 2.394 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.171 3.927 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.661 3.802 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.991 5.402 -1.684 1.00 0.00 H new ATOM 897 N LEU A 56 11.833 7.963 -3.143 1.00 0.00 N ATOM 898 CA LEU A 56 11.875 9.335 -2.647 1.00 0.00 C ATOM 899 C LEU A 56 12.921 10.157 -3.396 1.00 0.00 C ATOM 900 O LEU A 56 13.438 11.143 -2.871 1.00 0.00 O ATOM 901 CB LEU A 56 12.182 9.344 -1.148 1.00 0.00 C ATOM 902 CG LEU A 56 13.547 8.770 -0.764 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.605 9.862 -0.758 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.474 8.090 0.595 1.00 0.00 C ATOM 0 H LEU A 56 12.709 7.451 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 56 10.898 9.786 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.122 10.370 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.408 8.777 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 56 13.829 8.025 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.569 9.433 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.676 10.306 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.330 10.631 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.453 7.687 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.170 8.816 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.746 7.279 0.558 1.00 0.00 H new ATOM 916 N ASN A 57 13.231 9.746 -4.622 1.00 0.00 N ATOM 917 CA ASN A 57 14.218 10.448 -5.435 1.00 0.00 C ATOM 918 C ASN A 57 13.629 11.730 -6.025 1.00 0.00 C ATOM 919 O ASN A 57 12.558 11.704 -6.632 1.00 0.00 O ATOM 920 CB ASN A 57 14.721 9.539 -6.558 1.00 0.00 C ATOM 921 CG ASN A 57 16.234 9.523 -6.655 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.931 9.886 -5.709 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.748 9.100 -7.803 1.00 0.00 N ATOM 0 H ASN A 57 12.814 8.932 -5.073 1.00 0.00 H new ATOM 0 HA ASN A 57 15.056 10.719 -4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.360 8.524 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.302 9.873 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.760 9.067 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.131 8.808 -8.561 1.00 0.00 H new ATOM 930 N PRO A 58 14.321 12.873 -5.859 1.00 0.00 N ATOM 931 CA PRO A 58 13.854 14.162 -6.387 1.00 0.00 C ATOM 932 C PRO A 58 13.663 14.135 -7.902 1.00 0.00 C ATOM 933 O PRO A 58 12.992 14.998 -8.468 1.00 0.00 O ATOM 934 CB PRO A 58 14.973 15.140 -6.012 1.00 0.00 C ATOM 935 CG PRO A 58 15.706 14.481 -4.895 1.00 0.00 C ATOM 936 CD PRO A 58 15.608 13.005 -5.151 1.00 0.00 C ATOM 0 HA PRO A 58 12.881 14.433 -5.978 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.632 15.328 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.567 16.104 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.747 14.804 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.265 14.740 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.440 12.645 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.618 12.433 -4.223 1.00 0.00 H new ATOM 944 N TYR A 59 14.260 13.142 -8.552 1.00 0.00 N ATOM 945 CA TYR A 59 14.163 13.002 -10.000 1.00 0.00 C ATOM 946 C TYR A 59 12.873 12.293 -10.400 1.00 0.00 C ATOM 947 O TYR A 59 12.350 12.508 -11.493 1.00 0.00 O ATOM 948 CB TYR A 59 15.371 12.229 -10.532 1.00 0.00 C ATOM 949 CG TYR A 59 16.691 12.730 -9.990 1.00 0.00 C ATOM 950 CD1 TYR A 59 17.143 12.339 -8.735 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.483 13.600 -10.729 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.344 12.799 -8.233 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.687 14.064 -10.233 1.00 0.00 C ATOM 954 CZ TYR A 59 19.113 13.661 -8.985 1.00 0.00 C ATOM 955 OH TYR A 59 20.310 14.121 -8.489 1.00 0.00 O ATOM 0 H TYR A 59 14.818 12.420 -8.097 1.00 0.00 H new ATOM 0 HA TYR A 59 14.151 14.000 -10.438 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.259 11.175 -10.278 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.385 12.295 -11.620 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.544 11.663 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.153 13.919 -11.707 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.679 12.485 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.291 14.739 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 59 20.728 14.718 -9.144 1.00 0.00 H new ATOM 965 N VAL A 60 12.363 11.451 -9.508 1.00 0.00 N ATOM 966 CA VAL A 60 11.134 10.714 -9.770 1.00 0.00 C ATOM 967 C VAL A 60 10.009 11.188 -8.853 1.00 0.00 C ATOM 968 O VAL A 60 9.574 10.465 -7.955 1.00 0.00 O ATOM 969 CB VAL A 60 11.339 9.195 -9.589 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.763 8.873 -8.163 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.076 8.432 -9.967 1.00 0.00 C ATOM 0 H VAL A 60 12.782 11.262 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 60 10.857 10.908 -10.806 1.00 0.00 H new ATOM 0 HB VAL A 60 12.139 8.877 -10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.902 7.797 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.700 9.383 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.992 9.208 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.242 7.363 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.252 8.754 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.828 8.632 -11.010 1.00 0.00 H new ATOM 981 N LYS A 61 9.542 12.410 -9.086 1.00 0.00 N ATOM 982 CA LYS A 61 8.469 12.989 -8.285 1.00 0.00 C ATOM 983 C LYS A 61 7.232 12.095 -8.294 1.00 0.00 C ATOM 984 O LYS A 61 7.280 10.954 -8.754 1.00 0.00 O ATOM 985 CB LYS A 61 8.110 14.381 -8.808 1.00 0.00 C ATOM 986 CG LYS A 61 7.811 15.386 -7.707 1.00 0.00 C ATOM 987 CD LYS A 61 8.324 16.772 -8.063 1.00 0.00 C ATOM 988 CE LYS A 61 9.826 16.880 -7.851 1.00 0.00 C ATOM 989 NZ LYS A 61 10.427 17.962 -8.679 1.00 0.00 N ATOM 0 H LYS A 61 9.891 13.020 -9.825 1.00 0.00 H new ATOM 0 HA LYS A 61 8.824 13.072 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.934 14.755 -9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.241 14.302 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.736 15.428 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.271 15.055 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.085 16.994 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.814 17.518 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.031 17.072 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.297 15.929 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.452 18.003 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.254 17.766 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.996 18.874 -8.425 1.00 0.00 H new ATOM 1003 N ARG A 62 6.125 12.621 -7.779 1.00 0.00 N ATOM 1004 CA ARG A 62 4.874 11.873 -7.724 1.00 0.00 C ATOM 1005 C ARG A 62 4.464 11.382 -9.110 1.00 0.00 C ATOM 1006 O ARG A 62 4.139 10.209 -9.292 1.00 0.00 O ATOM 1007 CB ARG A 62 3.764 12.741 -7.129 1.00 0.00 C ATOM 1008 CG ARG A 62 2.828 11.981 -6.203 1.00 0.00 C ATOM 1009 CD ARG A 62 1.801 12.902 -5.564 1.00 0.00 C ATOM 1010 NE ARG A 62 2.401 14.143 -5.075 1.00 0.00 N ATOM 1011 CZ ARG A 62 2.554 15.239 -5.817 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.159 15.258 -7.083 1.00 0.00 N ATOM 1013 NH2 ARG A 62 3.107 16.322 -5.287 1.00 0.00 N ATOM 0 H ARG A 62 6.069 13.564 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 62 5.031 11.003 -7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.215 13.566 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.182 13.179 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.317 11.199 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.409 11.487 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.024 13.138 -6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.316 12.384 -4.737 1.00 0.00 H new ATOM 0 HE ARG A 62 2.722 14.171 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.734 14.429 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.281 16.102 -7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.414 16.314 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.226 17.163 -5.852 1.00 0.00 H new ATOM 1027 N SER A 63 4.481 12.288 -10.083 1.00 0.00 N ATOM 1028 CA SER A 63 4.109 11.946 -11.453 1.00 0.00 C ATOM 1029 C SER A 63 4.949 10.787 -11.978 1.00 0.00 C ATOM 1030 O SER A 63 4.426 9.713 -12.274 1.00 0.00 O ATOM 1031 CB SER A 63 4.271 13.164 -12.365 1.00 0.00 C ATOM 1032 OG SER A 63 5.474 13.856 -12.083 1.00 0.00 O ATOM 0 H SER A 63 4.748 13.263 -9.949 1.00 0.00 H new ATOM 0 HA SER A 63 3.064 11.636 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.267 12.845 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.422 13.835 -12.234 1.00 0.00 H new ATOM 0 HG SER A 63 5.555 14.629 -12.680 1.00 0.00 H new ATOM 1038 N VAL A 64 6.255 11.010 -12.091 1.00 0.00 N ATOM 1039 CA VAL A 64 7.165 9.982 -12.580 1.00 0.00 C ATOM 1040 C VAL A 64 7.068 8.717 -11.735 1.00 0.00 C ATOM 1041 O VAL A 64 7.269 7.609 -12.233 1.00 0.00 O ATOM 1042 CB VAL A 64 8.624 10.475 -12.580 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.528 9.469 -13.278 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.726 11.842 -13.241 1.00 0.00 C ATOM 0 H VAL A 64 6.706 11.893 -11.851 1.00 0.00 H new ATOM 0 HA VAL A 64 6.867 9.757 -13.604 1.00 0.00 H new ATOM 0 HB VAL A 64 8.956 10.571 -11.546 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.555 9.834 -13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.478 8.513 -12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.199 9.338 -14.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.764 12.174 -13.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.376 11.775 -14.271 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.111 12.557 -12.694 1.00 0.00 H new ATOM 1054 N LYS A 65 6.754 8.888 -10.455 1.00 0.00 N ATOM 1055 CA LYS A 65 6.625 7.759 -9.545 1.00 0.00 C ATOM 1056 C LYS A 65 5.402 6.920 -9.898 1.00 0.00 C ATOM 1057 O LYS A 65 5.389 5.706 -9.694 1.00 0.00 O ATOM 1058 CB LYS A 65 6.524 8.248 -8.099 1.00 0.00 C ATOM 1059 CG LYS A 65 6.509 7.123 -7.077 1.00 0.00 C ATOM 1060 CD LYS A 65 7.873 6.464 -6.951 1.00 0.00 C ATOM 1061 CE LYS A 65 8.064 5.371 -7.990 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.739 4.170 -7.421 1.00 0.00 N ATOM 0 H LYS A 65 6.585 9.798 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 65 7.515 7.137 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.365 8.909 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.617 8.842 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.203 7.516 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.769 6.377 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.653 7.216 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.983 6.041 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.094 5.083 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.654 5.759 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.849 3.450 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.675 4.438 -7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.164 3.783 -6.646 1.00 0.00 H new ATOM 1076 N VAL A 66 4.376 7.575 -10.434 1.00 0.00 N ATOM 1077 CA VAL A 66 3.150 6.887 -10.819 1.00 0.00 C ATOM 1078 C VAL A 66 3.421 5.857 -11.911 1.00 0.00 C ATOM 1079 O VAL A 66 2.824 4.782 -11.925 1.00 0.00 O ATOM 1080 CB VAL A 66 2.080 7.879 -11.316 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.761 7.162 -11.567 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.898 9.012 -10.318 1.00 0.00 C ATOM 0 H VAL A 66 4.370 8.580 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 66 2.777 6.381 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 66 2.419 8.307 -12.259 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.018 7.879 -11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.905 6.390 -12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.414 6.703 -10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.139 9.702 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.583 8.604 -9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.842 9.543 -10.194 1.00 0.00 H new ATOM 1092 N LYS A 67 4.328 6.193 -12.823 1.00 0.00 N ATOM 1093 CA LYS A 67 4.678 5.294 -13.916 1.00 0.00 C ATOM 1094 C LYS A 67 5.330 4.023 -13.382 1.00 0.00 C ATOM 1095 O LYS A 67 4.897 2.914 -13.691 1.00 0.00 O ATOM 1096 CB LYS A 67 5.619 5.991 -14.900 1.00 0.00 C ATOM 1097 CG LYS A 67 4.898 6.843 -15.932 1.00 0.00 C ATOM 1098 CD LYS A 67 4.808 8.295 -15.492 1.00 0.00 C ATOM 1099 CE LYS A 67 3.508 8.936 -15.949 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.464 8.891 -14.889 1.00 0.00 N ATOM 0 H LYS A 67 4.833 7.079 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 67 3.761 5.021 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.313 6.620 -14.343 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.215 5.238 -15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.423 6.783 -16.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.895 6.448 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.881 8.352 -14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.652 8.852 -15.898 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.694 9.972 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.144 8.423 -16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.578 9.292 -15.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.304 7.905 -14.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.779 9.445 -14.067 1.00 0.00 H new ATOM 1114 N SER A 68 6.371 4.194 -12.573 1.00 0.00 N ATOM 1115 CA SER A 68 7.079 3.061 -11.991 1.00 0.00 C ATOM 1116 C SER A 68 6.134 2.209 -11.150 1.00 0.00 C ATOM 1117 O SER A 68 6.322 0.999 -11.019 1.00 0.00 O ATOM 1118 CB SER A 68 8.249 3.548 -11.134 1.00 0.00 C ATOM 1119 OG SER A 68 8.687 2.537 -10.242 1.00 0.00 O ATOM 0 H SER A 68 6.742 5.106 -12.306 1.00 0.00 H new ATOM 0 HA SER A 68 7.468 2.448 -12.804 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.074 3.850 -11.779 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.947 4.430 -10.569 1.00 0.00 H new ATOM 0 HG SER A 68 9.600 2.735 -9.946 1.00 0.00 H new ATOM 1125 N LEU A 69 5.116 2.850 -10.584 1.00 0.00 N ATOM 1126 CA LEU A 69 4.138 2.154 -9.757 1.00 0.00 C ATOM 1127 C LEU A 69 3.320 1.176 -10.596 1.00 0.00 C ATOM 1128 O LEU A 69 3.094 0.035 -10.192 1.00 0.00 O ATOM 1129 CB LEU A 69 3.213 3.163 -9.071 1.00 0.00 C ATOM 1130 CG LEU A 69 3.505 3.412 -7.589 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.990 3.660 -7.368 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.684 4.585 -7.077 1.00 0.00 C ATOM 0 H LEU A 69 4.947 3.851 -10.683 1.00 0.00 H new ATOM 0 HA LEU A 69 4.673 1.589 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.279 4.112 -9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.185 2.814 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 69 3.222 2.521 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.176 3.835 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.557 2.789 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.302 4.534 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.903 4.749 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.937 5.481 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.623 4.367 -7.198 1.00 0.00 H new ATOM 1144 N SER A 70 2.883 1.631 -11.765 1.00 0.00 N ATOM 1145 CA SER A 70 2.092 0.797 -12.663 1.00 0.00 C ATOM 1146 C SER A 70 2.869 -0.451 -13.068 1.00 0.00 C ATOM 1147 O SER A 70 2.325 -1.556 -13.078 1.00 0.00 O ATOM 1148 CB SER A 70 1.687 1.588 -13.907 1.00 0.00 C ATOM 1149 OG SER A 70 0.649 2.507 -13.612 1.00 0.00 O ATOM 0 H SER A 70 3.063 2.573 -12.113 1.00 0.00 H new ATOM 0 HA SER A 70 1.192 0.487 -12.132 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.552 2.124 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.358 0.901 -14.687 1.00 0.00 H new ATOM 0 HG SER A 70 0.409 3.001 -14.423 1.00 0.00 H new ATOM 1155 N ASP A 71 4.145 -0.269 -13.394 1.00 0.00 N ATOM 1156 CA ASP A 71 4.994 -1.386 -13.792 1.00 0.00 C ATOM 1157 C ASP A 71 5.571 -2.101 -12.572 1.00 0.00 C ATOM 1158 O ASP A 71 6.328 -3.063 -12.705 1.00 0.00 O ATOM 1159 CB ASP A 71 6.127 -0.899 -14.698 1.00 0.00 C ATOM 1160 CG ASP A 71 6.451 -1.889 -15.800 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.549 -2.658 -16.192 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.607 -1.893 -16.273 1.00 0.00 O ATOM 0 H ASP A 71 4.612 0.638 -13.390 1.00 0.00 H new ATOM 0 HA ASP A 71 4.377 -2.095 -14.344 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.848 0.057 -15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.019 -0.723 -14.097 1.00 0.00 H new ATOM 1167 N MET A 72 5.191 -1.641 -11.383 1.00 0.00 N ATOM 1168 CA MET A 72 5.650 -2.249 -10.144 1.00 0.00 C ATOM 1169 C MET A 72 4.511 -3.036 -9.519 1.00 0.00 C ATOM 1170 O MET A 72 4.726 -4.039 -8.837 1.00 0.00 O ATOM 1171 CB MET A 72 6.153 -1.180 -9.172 1.00 0.00 C ATOM 1172 CG MET A 72 6.639 -1.744 -7.847 1.00 0.00 C ATOM 1173 SD MET A 72 6.760 -0.487 -6.559 1.00 0.00 S ATOM 1174 CE MET A 72 5.031 -0.244 -6.161 1.00 0.00 C ATOM 0 H MET A 72 4.564 -0.847 -11.255 1.00 0.00 H new ATOM 0 HA MET A 72 6.479 -2.922 -10.363 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.966 -0.627 -9.642 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.351 -0.467 -8.982 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.958 -2.530 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.615 -2.207 -7.990 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.693 0.707 -6.572 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.442 -1.054 -6.590 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.904 -0.237 -5.078 1.00 0.00 H new ATOM 1184 N THR A 73 3.292 -2.576 -9.779 1.00 0.00 N ATOM 1185 CA THR A 73 2.100 -3.227 -9.274 1.00 0.00 C ATOM 1186 C THR A 73 1.847 -4.516 -10.053 1.00 0.00 C ATOM 1187 O THR A 73 1.319 -5.487 -9.511 1.00 0.00 O ATOM 1188 CB THR A 73 0.906 -2.263 -9.381 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.855 -1.402 -8.261 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.446 -2.926 -9.498 1.00 0.00 C ATOM 0 H THR A 73 3.108 -1.746 -10.343 1.00 0.00 H new ATOM 0 HA THR A 73 2.235 -3.489 -8.225 1.00 0.00 H new ATOM 0 HB THR A 73 1.090 -1.723 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.090 -0.796 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.221 -2.163 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.469 -3.549 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.625 -3.545 -8.619 1.00 0.00 H new ATOM 1198 N ALA A 74 2.233 -4.517 -11.327 1.00 0.00 N ATOM 1199 CA ALA A 74 2.050 -5.688 -12.175 1.00 0.00 C ATOM 1200 C ALA A 74 3.246 -6.635 -12.086 1.00 0.00 C ATOM 1201 O ALA A 74 3.310 -7.631 -12.806 1.00 0.00 O ATOM 1202 CB ALA A 74 1.821 -5.261 -13.617 1.00 0.00 C ATOM 0 H ALA A 74 2.673 -3.722 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 74 1.172 -6.226 -11.818 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.686 -6.144 -14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.930 -4.636 -13.674 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.683 -4.696 -13.970 1.00 0.00 H new ATOM 1208 N LYS A 75 4.194 -6.323 -11.202 1.00 0.00 N ATOM 1209 CA LYS A 75 5.380 -7.155 -11.036 1.00 0.00 C ATOM 1210 C LYS A 75 5.504 -7.662 -9.603 1.00 0.00 C ATOM 1211 O LYS A 75 5.872 -8.814 -9.372 1.00 0.00 O ATOM 1212 CB LYS A 75 6.637 -6.371 -11.421 1.00 0.00 C ATOM 1213 CG LYS A 75 6.803 -6.189 -12.921 1.00 0.00 C ATOM 1214 CD LYS A 75 7.659 -7.290 -13.524 1.00 0.00 C ATOM 1215 CE LYS A 75 8.568 -6.753 -14.618 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.724 -7.656 -14.873 1.00 0.00 N ATOM 0 H LYS A 75 4.162 -5.504 -10.594 1.00 0.00 H new ATOM 0 HA LYS A 75 5.278 -8.017 -11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.604 -5.391 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.512 -6.887 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.823 -6.185 -13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.260 -5.220 -13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.262 -7.752 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.016 -8.069 -13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.995 -6.628 -15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.934 -5.766 -14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.319 -7.254 -15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.285 -7.755 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.376 -8.590 -15.169 1.00 0.00 H new ATOM 1230 N GLU A 76 5.195 -6.799 -8.641 1.00 0.00 N ATOM 1231 CA GLU A 76 5.277 -7.168 -7.233 1.00 0.00 C ATOM 1232 C GLU A 76 4.171 -8.147 -6.863 1.00 0.00 C ATOM 1233 O GLU A 76 4.435 -9.250 -6.385 1.00 0.00 O ATOM 1234 CB GLU A 76 5.185 -5.919 -6.353 1.00 0.00 C ATOM 1235 CG GLU A 76 6.538 -5.328 -5.993 1.00 0.00 C ATOM 1236 CD GLU A 76 7.458 -6.335 -5.330 1.00 0.00 C ATOM 1237 OE1 GLU A 76 6.950 -7.351 -4.811 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.686 -6.108 -5.330 1.00 0.00 O ATOM 0 H GLU A 76 4.886 -5.842 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 76 6.238 -7.654 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.594 -5.163 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.651 -6.169 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.015 -4.945 -6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.393 -4.479 -5.325 1.00 0.00 H new ATOM 1245 N LYS A 77 2.932 -7.728 -7.093 1.00 0.00 N ATOM 1246 CA LYS A 77 1.758 -8.545 -6.792 1.00 0.00 C ATOM 1247 C LYS A 77 0.489 -7.720 -6.978 1.00 0.00 C ATOM 1248 O LYS A 77 -0.562 -8.246 -7.343 1.00 0.00 O ATOM 1249 CB LYS A 77 1.819 -9.089 -5.359 1.00 0.00 C ATOM 1250 CG LYS A 77 1.335 -10.525 -5.232 1.00 0.00 C ATOM 1251 CD LYS A 77 2.097 -11.456 -6.161 1.00 0.00 C ATOM 1252 CE LYS A 77 1.270 -11.824 -7.382 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.106 -11.915 -8.612 1.00 0.00 N ATOM 0 H LYS A 77 2.711 -6.816 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 77 1.746 -9.391 -7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.846 -9.027 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.216 -8.452 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.455 -10.860 -4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.270 -10.572 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.023 -10.977 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.375 -12.362 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.773 -12.779 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.488 -11.079 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.505 -12.168 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.561 -10.997 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.837 -12.644 -8.482 1.00 0.00 H new ATOM 1267 N PHE A 78 0.606 -6.418 -6.722 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.510 -5.489 -6.856 1.00 0.00 C ATOM 1269 C PHE A 78 -1.218 -5.642 -8.182 1.00 0.00 C ATOM 1270 O PHE A 78 -0.871 -6.498 -8.994 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.014 -4.058 -6.737 1.00 0.00 C ATOM 1272 CG PHE A 78 0.951 -3.842 -5.623 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.912 -4.626 -4.483 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.916 -2.865 -5.736 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.829 -4.428 -3.472 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.836 -2.664 -4.733 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.796 -3.449 -3.596 1.00 0.00 C ATOM 0 H PHE A 78 1.475 -5.980 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.214 -5.719 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.460 -3.769 -7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.870 -3.398 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.161 -5.396 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.951 -2.249 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.791 -5.039 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.587 -1.895 -4.834 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.518 -3.298 -2.807 1.00 0.00 H new ATOM 1287 N SER A 79 -2.195 -4.764 -8.391 1.00 0.00 N ATOM 1288 CA SER A 79 -2.980 -4.717 -9.624 1.00 0.00 C ATOM 1289 C SER A 79 -4.475 -4.647 -9.338 1.00 0.00 C ATOM 1290 O SER A 79 -5.199 -3.908 -10.003 1.00 0.00 O ATOM 1291 CB SER A 79 -2.696 -5.913 -10.543 1.00 0.00 C ATOM 1292 OG SER A 79 -3.597 -5.937 -11.637 1.00 0.00 O ATOM 0 H SER A 79 -2.467 -4.059 -7.706 1.00 0.00 H new ATOM 0 HA SER A 79 -2.672 -3.807 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.672 -5.858 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.781 -6.840 -9.976 1.00 0.00 H new ATOM 0 HG SER A 79 -3.396 -6.707 -12.210 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.982 -5.453 -8.393 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.394 -5.494 -8.092 1.00 0.00 C ATOM 1300 C PRO A 80 -6.816 -4.701 -6.861 1.00 0.00 C ATOM 1301 O PRO A 80 -7.480 -3.673 -6.987 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.620 -6.988 -7.881 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.303 -7.521 -7.380 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.260 -6.440 -7.592 1.00 0.00 C ATOM 0 HA PRO A 80 -6.986 -5.033 -8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.417 -7.167 -7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.915 -7.477 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.373 -7.784 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.028 -8.429 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.913 -6.020 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.382 -6.821 -8.113 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.448 -5.166 -5.671 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.830 -4.458 -4.462 1.00 0.00 C ATOM 1314 C LEU A 81 -5.706 -3.546 -4.022 1.00 0.00 C ATOM 1315 O LEU A 81 -5.777 -2.897 -2.979 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.192 -5.435 -3.350 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.652 -5.895 -3.353 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.592 -4.696 -3.319 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.934 -6.758 -4.574 1.00 0.00 C ATOM 0 H LEU A 81 -5.898 -6.012 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.712 -3.855 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.549 -6.311 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.974 -4.968 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.826 -6.493 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.625 -5.043 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.407 -4.114 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.417 -4.072 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.976 -7.077 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.742 -6.182 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.286 -7.634 -4.558 1.00 0.00 H new ATOM 1331 N THR A 82 -4.670 -3.502 -4.841 1.00 0.00 N ATOM 1332 CA THR A 82 -3.521 -2.678 -4.572 1.00 0.00 C ATOM 1333 C THR A 82 -3.280 -1.703 -5.716 1.00 0.00 C ATOM 1334 O THR A 82 -2.381 -0.869 -5.644 1.00 0.00 O ATOM 1335 CB THR A 82 -2.299 -3.552 -4.348 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.662 -4.921 -4.316 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.584 -3.230 -3.053 1.00 0.00 C ATOM 0 H THR A 82 -4.608 -4.037 -5.707 1.00 0.00 H new ATOM 0 HA THR A 82 -3.709 -2.098 -3.668 1.00 0.00 H new ATOM 0 HB THR A 82 -1.627 -3.348 -5.182 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.260 -5.083 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.719 -3.884 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.254 -2.191 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.263 -3.383 -2.214 1.00 0.00 H new ATOM 1345 N SER A 83 -4.099 -1.786 -6.767 1.00 0.00 N ATOM 1346 CA SER A 83 -3.954 -0.877 -7.892 1.00 0.00 C ATOM 1347 C SER A 83 -4.804 0.369 -7.673 1.00 0.00 C ATOM 1348 O SER A 83 -5.278 0.999 -8.618 1.00 0.00 O ATOM 1349 CB SER A 83 -4.347 -1.549 -9.203 1.00 0.00 C ATOM 1350 OG SER A 83 -4.335 -0.622 -10.275 1.00 0.00 O ATOM 0 H SER A 83 -4.856 -2.464 -6.857 1.00 0.00 H new ATOM 0 HA SER A 83 -2.904 -0.592 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.658 -2.366 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.341 -1.986 -9.107 1.00 0.00 H new ATOM 0 HG SER A 83 -4.999 0.079 -10.109 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.967 0.711 -6.408 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.727 1.873 -5.988 1.00 0.00 C ATOM 1358 C ASN A 84 -5.026 2.444 -4.777 1.00 0.00 C ATOM 1359 O ASN A 84 -4.757 3.642 -4.693 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.170 1.492 -5.651 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.164 2.038 -6.659 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -9.238 2.516 -6.293 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -7.808 1.968 -7.936 1.00 0.00 N ATOM 0 H ASN A 84 -4.569 0.181 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.776 2.610 -6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.256 0.406 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.420 1.868 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.435 2.319 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.908 1.563 -8.193 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.674 1.542 -3.867 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.934 1.908 -2.686 1.00 0.00 C ATOM 1372 C LEU A 85 -2.540 2.352 -3.110 1.00 0.00 C ATOM 1373 O LEU A 85 -1.851 3.059 -2.375 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.835 0.719 -1.723 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.344 1.062 -0.315 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.258 2.088 0.337 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -3.255 -0.195 0.539 1.00 0.00 C ATOM 0 H LEU A 85 -4.895 0.549 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.447 2.719 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.817 0.252 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.163 -0.023 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.347 1.495 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.891 2.318 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.270 2.998 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.268 1.684 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.904 0.067 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.240 -0.657 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.557 -0.897 0.082 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.127 1.931 -4.316 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.820 2.294 -4.831 1.00 0.00 C ATOM 1391 C ILE A 86 -0.771 3.781 -5.174 1.00 0.00 C ATOM 1392 O ILE A 86 0.098 4.511 -4.697 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.436 1.437 -6.067 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.649 0.430 -5.685 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.034 2.298 -7.236 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.150 -0.685 -4.794 1.00 0.00 C ATOM 0 H ILE A 86 -2.682 1.345 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.089 2.092 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.330 0.906 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.069 -0.002 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.459 0.955 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.292 1.657 -8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.764 2.980 -7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.910 2.873 -6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.973 -1.362 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.244 -0.263 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.639 -1.235 -5.307 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.714 4.223 -5.998 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.784 5.622 -6.399 1.00 0.00 C ATOM 1410 C ASN A 87 -2.188 6.499 -5.219 1.00 0.00 C ATOM 1411 O ASN A 87 -1.848 7.681 -5.166 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.778 5.799 -7.547 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.229 5.302 -8.870 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.671 6.071 -9.652 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.385 4.008 -9.127 1.00 0.00 N ATOM 0 H ASN A 87 -2.441 3.632 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.795 5.929 -6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.697 5.262 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.039 6.853 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.036 3.616 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.854 3.406 -8.450 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.914 5.909 -4.273 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.364 6.632 -3.091 1.00 0.00 C ATOM 1424 C LEU A 88 -2.227 6.793 -2.090 1.00 0.00 C ATOM 1425 O LEU A 88 -2.132 7.812 -1.405 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.537 5.900 -2.436 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.381 6.749 -1.485 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.509 7.434 -2.240 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.937 5.891 -0.357 1.00 0.00 C ATOM 0 H LEU A 88 -3.203 4.931 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.693 7.623 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.185 5.508 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.149 5.043 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.742 7.518 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.099 8.034 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.091 8.079 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.147 6.681 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.535 6.511 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.561 5.101 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.113 5.446 0.202 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.362 5.786 -2.011 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.232 5.829 -1.093 1.00 0.00 C ATOM 1443 C LEU A 89 0.800 6.851 -1.557 1.00 0.00 C ATOM 1444 O LEU A 89 1.519 7.435 -0.746 1.00 0.00 O ATOM 1445 CB LEU A 89 0.410 4.445 -0.971 1.00 0.00 C ATOM 1446 CG LEU A 89 -0.015 3.651 0.264 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.399 2.192 0.131 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.585 4.266 1.519 1.00 0.00 C ATOM 0 H LEU A 89 -1.423 4.935 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.600 6.131 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.164 3.866 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.494 4.562 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.101 3.691 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.088 1.643 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.076 1.758 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.482 2.129 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.274 3.690 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.672 4.254 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.239 5.295 1.621 1.00 0.00 H new ATOM 1460 N ALA A 90 0.861 7.068 -2.866 1.00 0.00 N ATOM 1461 CA ALA A 90 1.797 8.025 -3.439 1.00 0.00 C ATOM 1462 C ALA A 90 1.062 9.240 -3.998 1.00 0.00 C ATOM 1463 O ALA A 90 1.572 9.936 -4.877 1.00 0.00 O ATOM 1464 CB ALA A 90 2.629 7.363 -4.527 1.00 0.00 C ATOM 0 H ALA A 90 0.272 6.593 -3.550 1.00 0.00 H new ATOM 0 HA ALA A 90 2.463 8.366 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.324 8.090 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.188 6.530 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.971 6.994 -5.314 1.00 0.00 H new ATOM 1470 N GLU A 91 -0.139 9.492 -3.482 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.940 10.624 -3.931 1.00 0.00 C ATOM 1472 C GLU A 91 -0.783 11.810 -2.986 1.00 0.00 C ATOM 1473 O GLU A 91 -0.379 12.897 -3.398 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.416 10.226 -4.030 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.982 10.336 -5.436 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.017 9.269 -5.733 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.847 8.983 -4.845 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.996 8.718 -6.853 1.00 0.00 O ATOM 0 H GLU A 91 -0.577 8.927 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.584 10.920 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.531 9.200 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.000 10.859 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.432 11.320 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.169 10.259 -6.158 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.108 11.593 -1.717 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.005 12.643 -0.712 1.00 0.00 C ATOM 1487 C ASN A 92 0.453 12.950 -0.390 1.00 0.00 C ATOM 1488 O ASN A 92 0.795 14.073 -0.018 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.747 12.235 0.561 1.00 0.00 C ATOM 1490 CG ASN A 92 -3.244 12.453 0.455 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -3.822 13.243 1.202 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.879 11.753 -0.476 1.00 0.00 N ATOM 0 H ASN A 92 -1.445 10.699 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.464 13.544 -1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.550 11.184 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.358 12.807 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.887 11.858 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.360 11.109 -1.073 1.00 0.00 H new ATOM 1499 N GLY A 93 1.311 11.944 -0.535 1.00 0.00 N ATOM 1500 CA GLY A 93 2.722 12.127 -0.254 1.00 0.00 C ATOM 1501 C GLY A 93 3.157 11.414 1.012 1.00 0.00 C ATOM 1502 O GLY A 93 4.117 11.824 1.664 1.00 0.00 O ATOM 0 H GLY A 93 1.053 11.006 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.308 11.757 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.936 13.192 -0.160 1.00 0.00 H new ATOM 1506 N ARG A 94 2.448 10.345 1.359 1.00 0.00 N ATOM 1507 CA ARG A 94 2.766 9.574 2.555 1.00 0.00 C ATOM 1508 C ARG A 94 3.453 8.261 2.190 1.00 0.00 C ATOM 1509 O ARG A 94 3.116 7.203 2.720 1.00 0.00 O ATOM 1510 CB ARG A 94 1.494 9.293 3.358 1.00 0.00 C ATOM 1511 CG ARG A 94 1.697 9.362 4.863 1.00 0.00 C ATOM 1512 CD ARG A 94 0.411 9.739 5.582 1.00 0.00 C ATOM 1513 NE ARG A 94 0.652 10.672 6.681 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.354 10.367 7.770 1.00 0.00 C ATOM 1515 NH1 ARG A 94 1.884 9.159 7.911 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.524 11.275 8.723 1.00 0.00 N ATOM 0 H ARG A 94 1.650 9.993 0.830 1.00 0.00 H new ATOM 0 HA ARG A 94 3.451 10.163 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.726 10.011 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.120 8.304 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.050 8.398 5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.472 10.093 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.284 10.187 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.066 8.838 5.969 1.00 0.00 H new ATOM 0 HE ARG A 94 0.260 11.611 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.755 8.457 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.421 8.932 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.117 12.205 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.062 11.043 9.558 1.00 0.00 H new ATOM 1530 N LEU A 95 4.419 8.339 1.280 1.00 0.00 N ATOM 1531 CA LEU A 95 5.155 7.157 0.845 1.00 0.00 C ATOM 1532 C LEU A 95 6.483 7.040 1.586 1.00 0.00 C ATOM 1533 O LEU A 95 7.461 6.520 1.050 1.00 0.00 O ATOM 1534 CB LEU A 95 5.399 7.207 -0.664 1.00 0.00 C ATOM 1535 CG LEU A 95 5.287 5.862 -1.384 1.00 0.00 C ATOM 1536 CD1 LEU A 95 3.897 5.273 -1.197 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.607 6.020 -2.862 1.00 0.00 C ATOM 0 H LEU A 95 4.710 9.207 0.830 1.00 0.00 H new ATOM 0 HA LEU A 95 4.553 6.279 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.685 7.900 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.394 7.615 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 95 6.013 5.175 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.834 4.316 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.705 5.123 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.154 5.957 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.522 5.053 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.906 6.722 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.623 6.398 -2.976 1.00 0.00 H new ATOM 1549 N THR A 96 6.505 7.522 2.824 1.00 0.00 N ATOM 1550 CA THR A 96 7.706 7.466 3.647 1.00 0.00 C ATOM 1551 C THR A 96 7.471 6.579 4.863 1.00 0.00 C ATOM 1552 O THR A 96 8.347 5.813 5.267 1.00 0.00 O ATOM 1553 CB THR A 96 8.112 8.873 4.092 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.214 9.369 5.069 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.150 9.871 2.955 1.00 0.00 C ATOM 0 H THR A 96 5.703 7.957 3.280 1.00 0.00 H new ATOM 0 HA THR A 96 8.515 7.040 3.053 1.00 0.00 H new ATOM 0 HB THR A 96 9.118 8.769 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.435 8.983 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.445 10.848 3.338 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.871 9.542 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.162 9.942 2.500 1.00 0.00 H new ATOM 1563 N ASN A 97 6.276 6.681 5.433 1.00 0.00 N ATOM 1564 CA ASN A 97 5.907 5.882 6.594 1.00 0.00 C ATOM 1565 C ASN A 97 4.777 4.917 6.247 1.00 0.00 C ATOM 1566 O ASN A 97 4.059 4.443 7.127 1.00 0.00 O ATOM 1567 CB ASN A 97 5.482 6.791 7.749 1.00 0.00 C ATOM 1568 CG ASN A 97 6.661 7.486 8.403 1.00 0.00 C ATOM 1569 OD1 ASN A 97 7.004 8.666 7.901 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 7.256 6.968 9.349 1.00 0.00 N flip ATOM 0 H ASN A 97 5.544 7.312 5.108 1.00 0.00 H new ATOM 0 HA ASN A 97 6.777 5.302 6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.782 7.540 7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.952 6.200 8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.958 6.059 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 97 8.047 7.448 9.779 1.00 0.00 H new ATOM 1577 N THR A 98 4.620 4.635 4.953 1.00 0.00 N ATOM 1578 CA THR A 98 3.573 3.732 4.483 1.00 0.00 C ATOM 1579 C THR A 98 3.554 2.410 5.262 1.00 0.00 C ATOM 1580 O THR A 98 2.483 1.945 5.650 1.00 0.00 O ATOM 1581 CB THR A 98 3.713 3.463 2.978 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.956 2.327 2.603 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.137 3.232 2.517 1.00 0.00 C ATOM 0 H THR A 98 5.206 5.020 4.212 1.00 0.00 H new ATOM 0 HA THR A 98 2.621 4.232 4.663 1.00 0.00 H new ATOM 0 HB THR A 98 3.347 4.371 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.548 1.550 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.146 3.050 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.739 4.112 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.552 2.367 3.035 1.00 0.00 H new ATOM 1591 N PRO A 99 4.720 1.774 5.509 1.00 0.00 N ATOM 1592 CA PRO A 99 4.780 0.506 6.243 1.00 0.00 C ATOM 1593 C PRO A 99 3.901 0.508 7.491 1.00 0.00 C ATOM 1594 O PRO A 99 3.437 -0.542 7.936 1.00 0.00 O ATOM 1595 CB PRO A 99 6.264 0.367 6.629 1.00 0.00 C ATOM 1596 CG PRO A 99 6.923 1.638 6.195 1.00 0.00 C ATOM 1597 CD PRO A 99 6.063 2.209 5.107 1.00 0.00 C ATOM 0 HA PRO A 99 4.410 -0.321 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.376 0.216 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.716 -0.495 6.138 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.009 2.335 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.933 1.448 5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.140 3.295 5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.339 1.823 4.126 1.00 0.00 H new ATOM 1605 N ALA A 100 3.675 1.691 8.053 1.00 0.00 N ATOM 1606 CA ALA A 100 2.849 1.823 9.247 1.00 0.00 C ATOM 1607 C ALA A 100 1.389 1.498 8.949 1.00 0.00 C ATOM 1608 O ALA A 100 0.681 0.949 9.793 1.00 0.00 O ATOM 1609 CB ALA A 100 2.973 3.226 9.821 1.00 0.00 C ATOM 0 H ALA A 100 4.052 2.571 7.701 1.00 0.00 H new ATOM 0 HA ALA A 100 3.207 1.106 9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.351 3.311 10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.013 3.421 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.644 3.953 9.079 1.00 0.00 H new ATOM 1615 N VAL A 101 0.941 1.842 7.745 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.437 1.584 7.342 1.00 0.00 C ATOM 1617 C VAL A 101 -0.706 0.086 7.211 1.00 0.00 C ATOM 1618 O VAL A 101 -1.847 -0.361 7.320 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.781 2.286 6.009 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -0.066 1.620 4.839 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -2.286 2.301 5.787 1.00 0.00 C ATOM 0 H VAL A 101 1.511 2.299 7.033 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.074 1.992 8.127 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.433 3.317 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.326 2.134 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.012 1.673 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.372 0.576 4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.510 2.799 4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.659 1.277 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.769 2.837 6.604 1.00 0.00 H new ATOM 1631 N ILE A 102 0.353 -0.684 6.975 1.00 0.00 N ATOM 1632 CA ILE A 102 0.229 -2.129 6.828 1.00 0.00 C ATOM 1633 C ILE A 102 -0.120 -2.789 8.157 1.00 0.00 C ATOM 1634 O ILE A 102 -0.865 -3.767 8.198 1.00 0.00 O ATOM 1635 CB ILE A 102 1.529 -2.753 6.282 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.976 -2.027 5.012 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.332 -4.236 6.008 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.404 -2.332 4.613 1.00 0.00 C ATOM 0 H ILE A 102 1.305 -0.331 6.882 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.577 -2.306 6.115 1.00 0.00 H new ATOM 0 HB ILE A 102 2.310 -2.643 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.312 -2.302 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.870 -0.952 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.259 -4.661 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.056 -4.743 6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.539 -4.368 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.653 -1.783 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.078 -2.031 5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.511 -3.402 4.432 1.00 0.00 H new ATOM 1650 N SER A 103 0.423 -2.249 9.245 1.00 0.00 N ATOM 1651 CA SER A 103 0.166 -2.790 10.574 1.00 0.00 C ATOM 1652 C SER A 103 -1.329 -2.791 10.880 1.00 0.00 C ATOM 1653 O SER A 103 -1.863 -3.766 11.409 1.00 0.00 O ATOM 1654 CB SER A 103 0.917 -1.979 11.632 1.00 0.00 C ATOM 1655 OG SER A 103 1.558 -2.830 12.566 1.00 0.00 O ATOM 0 H SER A 103 1.042 -1.439 9.231 1.00 0.00 H new ATOM 0 HA SER A 103 0.523 -3.820 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.657 -1.341 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.221 -1.321 12.152 1.00 0.00 H new ATOM 0 HG SER A 103 2.032 -2.288 13.231 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.999 -1.696 10.541 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.431 -1.577 10.775 1.00 0.00 C ATOM 1663 C ALA A 104 -4.197 -2.657 10.019 1.00 0.00 C ATOM 1664 O ALA A 104 -5.237 -3.130 10.474 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.921 -0.196 10.366 1.00 0.00 C ATOM 0 H ALA A 104 -1.573 -0.879 10.104 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.614 -1.713 11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.993 -0.122 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.401 0.563 10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.720 -0.038 9.306 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.669 -3.047 8.864 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.299 -4.074 8.044 1.00 0.00 C ATOM 1673 C PHE A 105 -4.376 -5.397 8.796 1.00 0.00 C ATOM 1674 O PHE A 105 -5.289 -6.192 8.577 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.515 -4.269 6.745 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.375 -4.622 5.563 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.725 -5.939 5.303 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.821 -3.635 4.701 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.505 -6.260 4.212 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.599 -3.952 3.608 1.00 0.00 C ATOM 1681 CZ PHE A 105 -5.941 -5.265 3.363 1.00 0.00 C ATOM 0 H PHE A 105 -2.806 -2.667 8.475 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.311 -3.745 7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.966 -3.354 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.776 -5.056 6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.382 -6.722 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.556 -2.605 4.887 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.774 -7.289 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.941 -3.172 2.944 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.550 -5.514 2.507 1.00 0.00 H new ATOM 1691 N SER A 106 -3.406 -5.633 9.673 1.00 0.00 N ATOM 1692 CA SER A 106 -3.367 -6.871 10.443 1.00 0.00 C ATOM 1693 C SER A 106 -4.284 -6.810 11.658 1.00 0.00 C ATOM 1694 O SER A 106 -4.688 -7.844 12.190 1.00 0.00 O ATOM 1695 CB SER A 106 -1.935 -7.184 10.879 1.00 0.00 C ATOM 1696 OG SER A 106 -1.819 -8.524 11.326 1.00 0.00 O ATOM 0 H SER A 106 -2.641 -4.988 9.868 1.00 0.00 H new ATOM 0 HA SER A 106 -3.726 -7.670 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.253 -7.015 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.638 -6.504 11.677 1.00 0.00 H new ATOM 0 HG SER A 106 -0.894 -8.699 11.598 1.00 0.00 H new ATOM 1702 N THR A 107 -4.624 -5.603 12.091 1.00 0.00 N ATOM 1703 CA THR A 107 -5.509 -5.437 13.234 1.00 0.00 C ATOM 1704 C THR A 107 -6.928 -5.169 12.764 1.00 0.00 C ATOM 1705 O THR A 107 -7.895 -5.512 13.444 1.00 0.00 O ATOM 1706 CB THR A 107 -5.022 -4.304 14.139 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.701 -4.554 14.587 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.890 -4.098 15.361 1.00 0.00 C ATOM 0 H THR A 107 -4.303 -4.731 11.671 1.00 0.00 H new ATOM 0 HA THR A 107 -5.500 -6.361 13.813 1.00 0.00 H new ATOM 0 HB THR A 107 -5.068 -3.404 13.526 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.406 -3.818 15.163 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.488 -3.280 15.959 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.906 -3.855 15.049 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.902 -5.011 15.957 1.00 0.00 H new ATOM 1716 N MET A 108 -7.050 -4.575 11.583 1.00 0.00 N ATOM 1717 CA MET A 108 -8.350 -4.293 11.015 1.00 0.00 C ATOM 1718 C MET A 108 -8.875 -5.530 10.300 1.00 0.00 C ATOM 1719 O MET A 108 -10.083 -5.698 10.142 1.00 0.00 O ATOM 1720 CB MET A 108 -8.264 -3.111 10.051 1.00 0.00 C ATOM 1721 CG MET A 108 -8.298 -1.755 10.743 1.00 0.00 C ATOM 1722 SD MET A 108 -7.113 -1.619 12.097 1.00 0.00 S ATOM 1723 CE MET A 108 -8.039 -0.619 13.259 1.00 0.00 C ATOM 0 H MET A 108 -6.262 -4.282 11.005 1.00 0.00 H new ATOM 0 HA MET A 108 -9.040 -4.028 11.816 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.344 -3.191 9.473 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.091 -3.169 9.344 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.093 -0.975 10.010 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.302 -1.576 11.128 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.437 -0.448 14.152 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.287 0.338 12.799 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.957 -1.138 13.534 1.00 0.00 H new ATOM 1733 N MET A 109 -7.959 -6.411 9.889 1.00 0.00 N ATOM 1734 CA MET A 109 -8.351 -7.638 9.219 1.00 0.00 C ATOM 1735 C MET A 109 -9.157 -8.507 10.174 1.00 0.00 C ATOM 1736 O MET A 109 -10.108 -9.176 9.771 1.00 0.00 O ATOM 1737 CB MET A 109 -7.122 -8.411 8.737 1.00 0.00 C ATOM 1738 CG MET A 109 -6.123 -8.716 9.838 1.00 0.00 C ATOM 1739 SD MET A 109 -6.469 -10.277 10.674 1.00 0.00 S ATOM 1740 CE MET A 109 -4.816 -10.779 11.148 1.00 0.00 C ATOM 0 H MET A 109 -6.953 -6.293 10.010 1.00 0.00 H new ATOM 0 HA MET A 109 -8.960 -7.379 8.353 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.447 -9.348 8.284 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.625 -7.835 7.956 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.119 -8.750 9.414 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.134 -7.907 10.568 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.541 -11.684 10.606 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.111 -9.983 10.907 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.789 -10.976 12.220 1.00 0.00 H new ATOM 1750 N SER A 110 -8.775 -8.483 11.452 1.00 0.00 N ATOM 1751 CA SER A 110 -9.472 -9.264 12.468 1.00 0.00 C ATOM 1752 C SER A 110 -10.958 -8.911 12.491 1.00 0.00 C ATOM 1753 O SER A 110 -11.787 -9.701 12.940 1.00 0.00 O ATOM 1754 CB SER A 110 -8.854 -9.019 13.846 1.00 0.00 C ATOM 1755 OG SER A 110 -7.747 -9.873 14.067 1.00 0.00 O ATOM 0 H SER A 110 -7.991 -7.934 11.804 1.00 0.00 H new ATOM 0 HA SER A 110 -9.368 -10.320 12.218 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.537 -7.979 13.926 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.604 -9.184 14.619 1.00 0.00 H new ATOM 0 HG SER A 110 -7.297 -10.052 13.215 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.282 -7.717 12.003 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.662 -7.253 11.963 1.00 0.00 C ATOM 1763 C VAL A 111 -13.431 -7.910 10.817 1.00 0.00 C ATOM 1764 O VAL A 111 -14.580 -8.317 10.985 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.726 -5.716 11.821 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.161 -5.244 11.629 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.100 -5.047 13.035 1.00 0.00 C ATOM 0 H VAL A 111 -10.604 -7.053 11.629 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.129 -7.538 12.906 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.158 -5.432 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.177 -4.158 11.532 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.575 -5.695 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.760 -5.540 12.490 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.152 -3.964 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.641 -5.344 13.933 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.057 -5.353 13.122 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.793 -8.016 9.654 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.429 -8.631 8.492 1.00 0.00 C ATOM 1779 C HIS A 112 -13.481 -10.148 8.648 1.00 0.00 C ATOM 1780 O HIS A 112 -14.400 -10.802 8.156 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.688 -8.248 7.204 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.425 -9.018 6.965 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.215 -10.334 6.733 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.185 -8.432 6.958 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.863 -10.517 6.600 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.263 -9.352 6.739 1.00 0.00 N flip ATOM 0 H HIS A 112 -11.842 -7.686 9.491 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.451 -8.257 8.424 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.357 -8.398 6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.450 -7.185 7.238 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.931 -11.057 6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.992 -7.380 7.108 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.371 -11.460 6.412 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.488 -10.698 9.337 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.417 -12.137 9.563 1.00 0.00 C ATOM 1797 C ARG A 113 -13.379 -12.559 10.669 1.00 0.00 C ATOM 1798 O ARG A 113 -13.885 -13.682 10.669 1.00 0.00 O ATOM 1799 CB ARG A 113 -10.989 -12.548 9.927 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.657 -13.983 9.553 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.976 -14.061 8.196 1.00 0.00 C ATOM 1802 NE ARG A 113 -9.658 -15.437 7.821 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.617 -16.114 8.300 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.792 -15.546 9.172 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.399 -17.361 7.907 1.00 0.00 N ATOM 0 H ARG A 113 -11.720 -10.169 9.749 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.707 -12.641 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.288 -11.879 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.844 -12.418 10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.007 -14.417 10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.571 -14.577 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.624 -13.620 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.060 -13.470 8.215 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.270 -15.906 7.153 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.955 -14.587 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.996 -16.069 9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.029 -17.802 7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.601 -17.879 8.274 1.00 0.00 H new