USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 878 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 62 MET CE :methyl 170:sc= -0.494 (180deg=-0.622) USER MOD Set 1.2: A 88 MET CE :methyl 180:sc= -1.4 (180deg=-1.4) USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= -0.0908 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -127:sc= -0.736 (180deg=-4.69!) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.396 K(o=-1.7,f=-3.7!) USER MOD Set 3.2: A 71 MET CE :methyl -104:sc= -1.35 (180deg=-6.81!) USER MOD Set 3.3: A 72 MET CE :methyl -157:sc=-0.00147 (180deg=-0.0247) USER MOD Set 4.1: A 17 GLN :FLIP amide:sc= -0.332 F(o=-0.84,f=-0.32) USER MOD Set 4.2: A 74 ASN : amide:sc= 0.0171 K(o=-0.32,f=-0.9) USER MOD Single : A 16 MET CE :methyl -141:sc= -0.265 (180deg=-3.69!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.723 K(o=0.72,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00936 (180deg=-0.162) USER MOD Single : A 39 SER OG : rot -138:sc= 0.0603 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -2.05! USER MOD Single : A 57 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= -0.2 (180deg=-1.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 177:sc=-0.00708 (180deg=-0.0167) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 0.743 (180deg=0.571) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.774 F(o=-1.6,f=-0.77) USER MOD Single : A 75 LYS NZ :NH3+ 155:sc= -0.12 (180deg=-0.544) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -115:sc= -0.252 (180deg=-2.77!) USER MOD Single : A 89 MET CE :methyl 179:sc=-0.00836 (180deg=-0.0103) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.69) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 97 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= -0.0858 (180deg=-0.464) USER MOD Single : A 111 HIS : no HE2:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 112 LYS NZ :NH3+ 166:sc=-0.00854 (180deg=-0.192) USER MOD Single : A 117 THR OG1 : rot 59:sc= -0.651 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -8.343 17.915 1.837 1.00 0.00 N ATOM 196 CA PRO A 15 -9.169 16.726 1.607 1.00 0.00 C ATOM 197 C PRO A 15 -8.368 15.569 1.021 1.00 0.00 C ATOM 198 O PRO A 15 -8.843 14.434 0.974 1.00 0.00 O ATOM 199 CB PRO A 15 -10.219 17.212 0.605 1.00 0.00 C ATOM 200 CG PRO A 15 -9.568 18.351 -0.103 1.00 0.00 C ATOM 201 CD PRO A 15 -8.673 19.010 0.909 1.00 0.00 C ATOM 0 HA PRO A 15 -9.592 16.338 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.498 16.421 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.131 17.529 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.995 18.001 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.312 19.052 -0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.779 19.426 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.178 19.830 1.419 1.00 0.00 H new ATOM 209 N MET A 16 -7.151 15.863 0.575 1.00 0.00 N ATOM 210 CA MET A 16 -6.284 14.845 -0.007 1.00 0.00 C ATOM 211 C MET A 16 -5.658 13.978 1.080 1.00 0.00 C ATOM 212 O MET A 16 -5.696 12.751 1.006 1.00 0.00 O ATOM 213 CB MET A 16 -5.188 15.499 -0.850 1.00 0.00 C ATOM 214 CG MET A 16 -5.592 15.737 -2.296 1.00 0.00 C ATOM 215 SD MET A 16 -5.854 14.201 -3.204 1.00 0.00 S ATOM 216 CE MET A 16 -4.204 13.506 -3.178 1.00 0.00 C ATOM 0 H MET A 16 -6.743 16.797 0.605 1.00 0.00 H new ATOM 0 HA MET A 16 -6.893 14.208 -0.648 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.913 16.451 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.300 14.868 -0.829 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.506 16.330 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.819 16.322 -2.794 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.992 13.036 -4.138 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.478 14.298 -2.993 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.136 12.760 -2.386 1.00 0.00 H new ATOM 226 N GLN A 17 -5.081 14.626 2.087 1.00 0.00 N ATOM 227 CA GLN A 17 -4.445 13.913 3.189 1.00 0.00 C ATOM 228 C GLN A 17 -5.391 12.875 3.784 1.00 0.00 C ATOM 229 O GLN A 17 -5.062 11.692 3.858 1.00 0.00 O ATOM 230 CB GLN A 17 -4.001 14.897 4.273 1.00 0.00 C ATOM 231 CG GLN A 17 -3.483 14.221 5.532 1.00 0.00 C ATOM 232 CD GLN A 17 -2.713 15.171 6.429 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.823 14.622 7.248 1.00 0.00 O flip ATOM 234 NE2 GLN A 17 -2.916 16.385 6.387 1.00 0.00 N flip ATOM 0 H GLN A 17 -5.041 15.642 2.163 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.569 13.397 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.220 15.542 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.841 15.540 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.323 13.803 6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.838 13.387 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.610 16.764 5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.391 17.011 6.997 1.00 0.00 H new ATOM 243 N GLN A 18 -6.567 13.328 4.207 1.00 0.00 N ATOM 244 CA GLN A 18 -7.561 12.438 4.797 1.00 0.00 C ATOM 245 C GLN A 18 -7.744 11.186 3.945 1.00 0.00 C ATOM 246 O GLN A 18 -7.613 10.064 4.435 1.00 0.00 O ATOM 247 CB GLN A 18 -8.898 13.164 4.952 1.00 0.00 C ATOM 248 CG GLN A 18 -8.891 14.227 6.040 1.00 0.00 C ATOM 249 CD GLN A 18 -10.287 14.625 6.475 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.756 15.722 6.168 1.00 0.00 O ATOM 251 NE2 GLN A 18 -10.960 13.735 7.195 1.00 0.00 N ATOM 0 H GLN A 18 -6.855 14.305 4.152 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.203 12.136 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.161 13.630 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.675 12.433 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.338 13.855 6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.362 15.109 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.533 12.838 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.904 13.948 7.517 1.00 0.00 H new ATOM 260 N LYS A 19 -8.049 11.385 2.668 1.00 0.00 N ATOM 261 CA LYS A 19 -8.250 10.273 1.746 1.00 0.00 C ATOM 262 C LYS A 19 -7.210 9.181 1.977 1.00 0.00 C ATOM 263 O LYS A 19 -7.552 8.046 2.310 1.00 0.00 O ATOM 264 CB LYS A 19 -8.177 10.764 0.299 1.00 0.00 C ATOM 265 CG LYS A 19 -9.519 11.198 -0.265 1.00 0.00 C ATOM 266 CD LYS A 19 -10.403 10.004 -0.584 1.00 0.00 C ATOM 267 CE LYS A 19 -11.780 10.441 -1.060 1.00 0.00 C ATOM 268 NZ LYS A 19 -12.711 10.676 0.078 1.00 0.00 N ATOM 0 H LYS A 19 -8.163 12.307 2.247 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.239 9.854 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.481 11.601 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.770 9.969 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.024 11.844 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.362 11.787 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.928 9.393 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.505 9.378 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.688 11.354 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.196 9.678 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.638 10.972 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.819 9.798 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.327 11.422 0.692 1.00 0.00 H new ATOM 282 N LEU A 20 -5.941 9.532 1.799 1.00 0.00 N ATOM 283 CA LEU A 20 -4.851 8.581 1.989 1.00 0.00 C ATOM 284 C LEU A 20 -5.130 7.662 3.174 1.00 0.00 C ATOM 285 O LEU A 20 -5.113 6.439 3.041 1.00 0.00 O ATOM 286 CB LEU A 20 -3.532 9.325 2.205 1.00 0.00 C ATOM 287 CG LEU A 20 -2.728 9.646 0.945 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.747 10.777 1.211 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.995 8.407 0.449 1.00 0.00 C ATOM 0 H LEU A 20 -5.642 10.467 1.524 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.774 7.970 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.746 10.260 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.906 8.729 2.869 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.421 9.969 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.184 10.991 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.294 11.669 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.059 10.483 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.428 8.655 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.313 8.053 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.718 7.625 0.217 1.00 0.00 H new ATOM 301 N ASN A 21 -5.390 8.261 4.332 1.00 0.00 N ATOM 302 CA ASN A 21 -5.675 7.496 5.540 1.00 0.00 C ATOM 303 C ASN A 21 -6.945 6.668 5.373 1.00 0.00 C ATOM 304 O ASN A 21 -7.039 5.549 5.876 1.00 0.00 O ATOM 305 CB ASN A 21 -5.819 8.434 6.741 1.00 0.00 C ATOM 306 CG ASN A 21 -5.821 7.688 8.061 1.00 0.00 C ATOM 307 OD1 ASN A 21 -6.584 6.740 8.249 1.00 0.00 O ATOM 308 ND2 ASN A 21 -4.966 8.114 8.983 1.00 0.00 N ATOM 0 H ASN A 21 -5.409 9.273 4.459 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.840 6.817 5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.001 9.155 6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.745 9.001 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.923 7.651 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.352 8.904 8.783 1.00 0.00 H new ATOM 315 N GLU A 22 -7.920 7.226 4.662 1.00 0.00 N ATOM 316 CA GLU A 22 -9.185 6.538 4.429 1.00 0.00 C ATOM 317 C GLU A 22 -8.974 5.282 3.589 1.00 0.00 C ATOM 318 O GLU A 22 -9.131 4.162 4.076 1.00 0.00 O ATOM 319 CB GLU A 22 -10.177 7.471 3.731 1.00 0.00 C ATOM 320 CG GLU A 22 -10.501 8.722 4.530 1.00 0.00 C ATOM 321 CD GLU A 22 -11.885 9.264 4.230 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.866 8.727 4.785 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.986 10.226 3.440 1.00 0.00 O ATOM 0 H GLU A 22 -7.858 8.152 4.238 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.593 6.243 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.769 7.763 2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.100 6.926 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.425 8.499 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.759 9.490 4.312 1.00 0.00 H new ATOM 330 N VAL A 23 -8.618 5.476 2.323 1.00 0.00 N ATOM 331 CA VAL A 23 -8.385 4.360 1.414 1.00 0.00 C ATOM 332 C VAL A 23 -7.530 3.284 2.074 1.00 0.00 C ATOM 333 O VAL A 23 -7.713 2.092 1.825 1.00 0.00 O ATOM 334 CB VAL A 23 -7.696 4.826 0.118 1.00 0.00 C ATOM 335 CG1 VAL A 23 -7.464 3.649 -0.817 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.521 5.906 -0.565 1.00 0.00 C ATOM 0 H VAL A 23 -8.485 6.396 1.904 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.361 3.943 1.167 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.726 5.251 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.976 3.998 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.829 2.913 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.420 3.192 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.019 6.224 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.506 5.510 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.629 6.759 0.105 1.00 0.00 H new ATOM 346 N TYR A 24 -6.596 3.712 2.915 1.00 0.00 N ATOM 347 CA TYR A 24 -5.710 2.785 3.610 1.00 0.00 C ATOM 348 C TYR A 24 -6.489 1.925 4.600 1.00 0.00 C ATOM 349 O TYR A 24 -6.373 0.700 4.599 1.00 0.00 O ATOM 350 CB TYR A 24 -4.607 3.552 4.341 1.00 0.00 C ATOM 351 CG TYR A 24 -3.823 2.703 5.316 1.00 0.00 C ATOM 352 CD1 TYR A 24 -3.208 1.527 4.904 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.698 3.076 6.648 1.00 0.00 C ATOM 354 CE1 TYR A 24 -2.491 0.747 5.791 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.982 2.303 7.542 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.381 1.140 7.109 1.00 0.00 C ATOM 357 OH TYR A 24 -1.668 0.367 7.997 1.00 0.00 O ATOM 0 H TYR A 24 -6.432 4.695 3.132 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.256 2.130 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.921 3.974 3.606 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.053 4.389 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.292 1.217 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.168 3.986 6.991 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.020 -0.165 5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.894 2.608 8.574 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.687 0.785 8.883 1.00 0.00 H new ATOM 367 N GLU A 25 -7.284 2.578 5.443 1.00 0.00 N ATOM 368 CA GLU A 25 -8.083 1.873 6.439 1.00 0.00 C ATOM 369 C GLU A 25 -9.105 0.960 5.769 1.00 0.00 C ATOM 370 O GLU A 25 -9.282 -0.190 6.169 1.00 0.00 O ATOM 371 CB GLU A 25 -8.795 2.872 7.352 1.00 0.00 C ATOM 372 CG GLU A 25 -7.864 3.587 8.317 1.00 0.00 C ATOM 373 CD GLU A 25 -8.612 4.363 9.383 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.715 4.867 9.085 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.095 4.467 10.515 1.00 0.00 O ATOM 0 H GLU A 25 -7.392 3.592 5.456 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.412 1.258 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.306 3.613 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.562 2.348 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.212 2.856 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.223 4.269 7.759 1.00 0.00 H new ATOM 382 N ALA A 26 -9.777 1.482 4.748 1.00 0.00 N ATOM 383 CA ALA A 26 -10.781 0.715 4.021 1.00 0.00 C ATOM 384 C ALA A 26 -10.331 -0.729 3.823 1.00 0.00 C ATOM 385 O ALA A 26 -11.092 -1.666 4.064 1.00 0.00 O ATOM 386 CB ALA A 26 -11.074 1.367 2.678 1.00 0.00 C ATOM 0 H ALA A 26 -9.644 2.434 4.406 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.695 0.706 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.825 0.783 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.447 2.379 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.160 1.407 2.086 1.00 0.00 H new ATOM 392 N VAL A 27 -9.089 -0.901 3.382 1.00 0.00 N ATOM 393 CA VAL A 27 -8.537 -2.231 3.151 1.00 0.00 C ATOM 394 C VAL A 27 -8.206 -2.924 4.468 1.00 0.00 C ATOM 395 O VAL A 27 -8.525 -4.097 4.663 1.00 0.00 O ATOM 396 CB VAL A 27 -7.267 -2.169 2.282 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.674 -3.559 2.103 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.575 -1.534 0.935 1.00 0.00 C ATOM 0 H VAL A 27 -8.446 -0.136 3.177 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.300 -2.804 2.624 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.529 -1.548 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.777 -3.495 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.415 -3.973 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.404 -4.206 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.667 -1.498 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.330 -2.126 0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.950 -0.522 1.087 1.00 0.00 H new ATOM 408 N LYS A 28 -7.563 -2.191 5.371 1.00 0.00 N ATOM 409 CA LYS A 28 -7.188 -2.733 6.671 1.00 0.00 C ATOM 410 C LYS A 28 -8.387 -3.380 7.357 1.00 0.00 C ATOM 411 O LYS A 28 -8.231 -4.269 8.193 1.00 0.00 O ATOM 412 CB LYS A 28 -6.613 -1.629 7.561 1.00 0.00 C ATOM 413 CG LYS A 28 -5.281 -1.085 7.071 1.00 0.00 C ATOM 414 CD LYS A 28 -4.113 -1.858 7.661 1.00 0.00 C ATOM 415 CE LYS A 28 -4.025 -1.669 9.168 1.00 0.00 C ATOM 416 NZ LYS A 28 -2.621 -1.764 9.657 1.00 0.00 N ATOM 0 H LYS A 28 -7.291 -1.219 5.226 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.426 -3.496 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.331 -0.811 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.488 -2.017 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.242 -1.140 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.195 -0.032 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.224 -2.918 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.184 -1.527 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.438 -0.697 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.635 -2.423 9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.567 -2.464 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.001 -2.059 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.314 -0.836 10.012 1.00 0.00 H new ATOM 430 N ASN A 29 -9.584 -2.928 6.997 1.00 0.00 N ATOM 431 CA ASN A 29 -10.810 -3.463 7.577 1.00 0.00 C ATOM 432 C ASN A 29 -11.527 -4.377 6.587 1.00 0.00 C ATOM 433 O ASN A 29 -12.134 -5.375 6.975 1.00 0.00 O ATOM 434 CB ASN A 29 -11.738 -2.324 8.002 1.00 0.00 C ATOM 435 CG ASN A 29 -11.191 -1.540 9.179 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.622 -1.726 10.317 1.00 0.00 O ATOM 437 ND2 ASN A 29 -10.237 -0.657 8.909 1.00 0.00 N ATOM 0 H ASN A 29 -9.731 -2.192 6.306 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.541 -4.049 8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.890 -1.650 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.714 -2.733 8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.831 -0.099 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.910 -0.536 7.950 1.00 0.00 H new ATOM 444 N TYR A 30 -11.451 -4.028 5.308 1.00 0.00 N ATOM 445 CA TYR A 30 -12.094 -4.815 4.262 1.00 0.00 C ATOM 446 C TYR A 30 -12.030 -6.305 4.584 1.00 0.00 C ATOM 447 O TYR A 30 -10.980 -6.827 4.960 1.00 0.00 O ATOM 448 CB TYR A 30 -11.429 -4.545 2.911 1.00 0.00 C ATOM 449 CG TYR A 30 -12.139 -5.198 1.746 1.00 0.00 C ATOM 450 CD1 TYR A 30 -13.215 -4.575 1.126 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.733 -6.437 1.265 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.867 -5.168 0.062 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.378 -7.036 0.201 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.445 -6.399 -0.397 1.00 0.00 C ATOM 455 OH TYR A 30 -14.090 -6.992 -1.457 1.00 0.00 O ATOM 0 H TYR A 30 -10.951 -3.206 4.970 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.141 -4.518 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.388 -3.469 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.399 -4.901 2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.547 -3.611 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.899 -6.940 1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.703 -4.671 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.048 -7.999 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.668 -7.854 -1.656 1.00 0.00 H new ATOM 465 N THR A 31 -13.163 -6.985 4.434 1.00 0.00 N ATOM 466 CA THR A 31 -13.238 -8.414 4.709 1.00 0.00 C ATOM 467 C THR A 31 -13.939 -9.155 3.576 1.00 0.00 C ATOM 468 O THR A 31 -14.337 -8.552 2.579 1.00 0.00 O ATOM 469 CB THR A 31 -13.982 -8.694 6.028 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.253 -8.035 6.023 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.165 -8.221 7.221 1.00 0.00 C ATOM 0 H THR A 31 -14.041 -6.569 4.124 1.00 0.00 H new ATOM 0 HA THR A 31 -12.213 -8.774 4.796 1.00 0.00 H new ATOM 0 HB THR A 31 -14.131 -9.770 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.720 -8.219 6.864 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.711 -8.429 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.210 -8.746 7.239 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.988 -7.149 7.139 1.00 0.00 H new ATOM 479 N ASP A 32 -14.088 -10.466 3.736 1.00 0.00 N ATOM 480 CA ASP A 32 -14.743 -11.290 2.727 1.00 0.00 C ATOM 481 C ASP A 32 -16.261 -11.177 2.835 1.00 0.00 C ATOM 482 O ASP A 32 -16.783 -10.540 3.750 1.00 0.00 O ATOM 483 CB ASP A 32 -14.317 -12.751 2.875 1.00 0.00 C ATOM 484 CG ASP A 32 -14.564 -13.557 1.615 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.972 -13.220 0.569 1.00 0.00 O ATOM 486 OD2 ASP A 32 -15.350 -14.525 1.676 1.00 0.00 O ATOM 0 H ASP A 32 -13.764 -10.980 4.555 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.438 -10.929 1.745 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.258 -12.794 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.861 -13.203 3.704 1.00 0.00 H new ATOM 491 N LYS A 33 -16.964 -11.798 1.894 1.00 0.00 N ATOM 492 CA LYS A 33 -18.421 -11.768 1.882 1.00 0.00 C ATOM 493 C LYS A 33 -18.983 -12.074 3.267 1.00 0.00 C ATOM 494 O LYS A 33 -20.103 -11.681 3.593 1.00 0.00 O ATOM 495 CB LYS A 33 -18.964 -12.776 0.866 1.00 0.00 C ATOM 496 CG LYS A 33 -18.553 -12.478 -0.565 1.00 0.00 C ATOM 497 CD LYS A 33 -19.017 -13.567 -1.517 1.00 0.00 C ATOM 498 CE LYS A 33 -18.718 -13.207 -2.965 1.00 0.00 C ATOM 499 NZ LYS A 33 -19.549 -12.064 -3.435 1.00 0.00 N ATOM 0 H LYS A 33 -16.547 -12.329 1.129 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.736 -10.765 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.616 -13.773 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -20.052 -12.791 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.973 -11.521 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.469 -12.383 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.524 -14.506 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.088 -13.727 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.662 -12.954 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.900 -14.074 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.483 -11.989 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.540 -12.220 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.205 -11.183 -3.001 1.00 0.00 H new ATOM 513 N ARG A 34 -18.198 -12.776 4.077 1.00 0.00 N ATOM 514 CA ARG A 34 -18.617 -13.133 5.427 1.00 0.00 C ATOM 515 C ARG A 34 -17.953 -12.228 6.461 1.00 0.00 C ATOM 516 O ARG A 34 -18.630 -11.540 7.224 1.00 0.00 O ATOM 517 CB ARG A 34 -18.276 -14.596 5.720 1.00 0.00 C ATOM 518 CG ARG A 34 -19.166 -15.587 4.989 1.00 0.00 C ATOM 519 CD ARG A 34 -18.641 -17.008 5.118 1.00 0.00 C ATOM 520 NE ARG A 34 -19.036 -17.625 6.381 1.00 0.00 N ATOM 521 CZ ARG A 34 -18.885 -18.918 6.647 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.351 -19.726 5.742 1.00 0.00 N ATOM 523 NH2 ARG A 34 -19.270 -19.405 7.820 1.00 0.00 N ATOM 0 H ARG A 34 -17.268 -13.109 3.822 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.697 -12.998 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -17.238 -14.781 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -18.356 -14.771 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -20.178 -15.534 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -19.227 -15.315 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -19.014 -17.609 4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.554 -17.001 5.043 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.451 -17.031 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.055 -19.356 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.236 -20.718 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.682 -18.787 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.154 -20.398 8.023 1.00 0.00 H new ATOM 537 N GLY A 35 -16.624 -12.235 6.479 1.00 0.00 N ATOM 538 CA GLY A 35 -15.891 -11.412 7.423 1.00 0.00 C ATOM 539 C GLY A 35 -14.496 -11.940 7.691 1.00 0.00 C ATOM 540 O GLY A 35 -13.996 -11.850 8.813 1.00 0.00 O ATOM 0 H GLY A 35 -16.042 -12.796 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.823 -10.395 7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.443 -11.361 8.361 1.00 0.00 H new ATOM 544 N ARG A 36 -13.866 -12.495 6.661 1.00 0.00 N ATOM 545 CA ARG A 36 -12.521 -13.042 6.792 1.00 0.00 C ATOM 546 C ARG A 36 -11.469 -11.983 6.475 1.00 0.00 C ATOM 547 O ARG A 36 -11.297 -11.591 5.321 1.00 0.00 O ATOM 548 CB ARG A 36 -12.344 -14.245 5.863 1.00 0.00 C ATOM 549 CG ARG A 36 -12.934 -15.532 6.415 1.00 0.00 C ATOM 550 CD ARG A 36 -12.901 -16.648 5.383 1.00 0.00 C ATOM 551 NE ARG A 36 -11.548 -16.903 4.896 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.219 -17.957 4.157 1.00 0.00 C ATOM 553 NH1 ARG A 36 -12.141 -18.849 3.821 1.00 0.00 N ATOM 554 NH2 ARG A 36 -9.966 -18.120 3.752 1.00 0.00 N ATOM 0 H ARG A 36 -14.266 -12.578 5.726 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.387 -13.365 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.810 -14.024 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.281 -14.394 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.378 -15.838 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.963 -15.356 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.306 -17.560 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.545 -16.385 4.544 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.815 -16.235 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.105 -18.727 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.886 -19.657 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.254 -17.436 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.715 -18.930 3.185 1.00 0.00 H new ATOM 568 N ARG A 37 -10.770 -11.524 7.508 1.00 0.00 N ATOM 569 CA ARG A 37 -9.737 -10.509 7.340 1.00 0.00 C ATOM 570 C ARG A 37 -8.637 -11.002 6.404 1.00 0.00 C ATOM 571 O ARG A 37 -7.926 -11.959 6.714 1.00 0.00 O ATOM 572 CB ARG A 37 -9.137 -10.132 8.696 1.00 0.00 C ATOM 573 CG ARG A 37 -8.600 -8.711 8.752 1.00 0.00 C ATOM 574 CD ARG A 37 -9.675 -7.727 9.186 1.00 0.00 C ATOM 575 NE ARG A 37 -10.063 -7.920 10.580 1.00 0.00 N ATOM 576 CZ ARG A 37 -9.347 -7.482 11.610 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.212 -6.829 11.402 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.766 -7.697 12.850 1.00 0.00 N ATOM 0 H ARG A 37 -10.900 -11.839 8.469 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.199 -9.627 6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.898 -10.254 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.330 -10.826 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.761 -8.665 9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.218 -8.426 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.311 -6.709 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.551 -7.841 8.547 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.931 -8.418 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.887 -6.662 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.664 -6.494 12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.639 -8.199 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.215 -7.360 13.640 1.00 0.00 H new ATOM 592 N LEU A 38 -8.504 -10.343 5.259 1.00 0.00 N ATOM 593 CA LEU A 38 -7.491 -10.714 4.276 1.00 0.00 C ATOM 594 C LEU A 38 -6.189 -9.959 4.524 1.00 0.00 C ATOM 595 O LEU A 38 -5.124 -10.563 4.648 1.00 0.00 O ATOM 596 CB LEU A 38 -7.997 -10.430 2.861 1.00 0.00 C ATOM 597 CG LEU A 38 -9.453 -10.805 2.581 1.00 0.00 C ATOM 598 CD1 LEU A 38 -10.373 -9.633 2.884 1.00 0.00 C ATOM 599 CD2 LEU A 38 -9.619 -11.256 1.137 1.00 0.00 C ATOM 0 H LEU A 38 -9.084 -9.549 4.988 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.295 -11.781 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.871 -9.366 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.362 -10.966 2.155 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.727 -11.634 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.405 -9.918 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.275 -9.355 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.100 -8.784 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.661 -11.519 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.327 -10.447 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.988 -12.125 0.953 1.00 0.00 H new ATOM 611 N SER A 39 -6.284 -8.635 4.598 1.00 0.00 N ATOM 612 CA SER A 39 -5.114 -7.797 4.830 1.00 0.00 C ATOM 613 C SER A 39 -4.367 -8.241 6.084 1.00 0.00 C ATOM 614 O SER A 39 -3.186 -7.942 6.255 1.00 0.00 O ATOM 615 CB SER A 39 -5.529 -6.330 4.962 1.00 0.00 C ATOM 616 OG SER A 39 -6.442 -6.154 6.031 1.00 0.00 O ATOM 0 H SER A 39 -7.159 -8.120 4.501 1.00 0.00 H new ATOM 0 HA SER A 39 -4.447 -7.903 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.646 -5.712 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.984 -5.992 4.031 1.00 0.00 H new ATOM 0 HG SER A 39 -7.151 -5.535 5.757 1.00 0.00 H new ATOM 622 N ALA A 40 -5.066 -8.957 6.958 1.00 0.00 N ATOM 623 CA ALA A 40 -4.470 -9.445 8.196 1.00 0.00 C ATOM 624 C ALA A 40 -3.160 -10.177 7.923 1.00 0.00 C ATOM 625 O ALA A 40 -2.131 -9.872 8.525 1.00 0.00 O ATOM 626 CB ALA A 40 -5.444 -10.357 8.927 1.00 0.00 C ATOM 0 H ALA A 40 -6.045 -9.212 6.832 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.250 -8.585 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.986 -10.714 9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.353 -9.804 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.692 -11.208 8.292 1.00 0.00 H new ATOM 632 N ILE A 41 -3.207 -11.145 7.014 1.00 0.00 N ATOM 633 CA ILE A 41 -2.023 -11.920 6.662 1.00 0.00 C ATOM 634 C ILE A 41 -1.035 -11.080 5.859 1.00 0.00 C ATOM 635 O ILE A 41 0.062 -11.535 5.535 1.00 0.00 O ATOM 636 CB ILE A 41 -2.393 -13.174 5.849 1.00 0.00 C ATOM 637 CG1 ILE A 41 -1.193 -14.118 5.752 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.879 -12.782 4.461 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.576 -15.559 5.495 1.00 0.00 C ATOM 0 H ILE A 41 -4.052 -11.411 6.508 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.557 -12.228 7.598 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.201 -13.695 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.537 -13.777 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.621 -14.062 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.137 -13.680 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.759 -12.145 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.090 -12.241 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.675 -16.170 5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.208 -15.918 6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.121 -15.628 4.554 1.00 0.00 H new ATOM 651 N PHE A 42 -1.431 -9.852 5.543 1.00 0.00 N ATOM 652 CA PHE A 42 -0.580 -8.947 4.779 1.00 0.00 C ATOM 653 C PHE A 42 -0.245 -7.699 5.591 1.00 0.00 C ATOM 654 O PHE A 42 0.209 -6.693 5.045 1.00 0.00 O ATOM 655 CB PHE A 42 -1.267 -8.549 3.471 1.00 0.00 C ATOM 656 CG PHE A 42 -1.114 -9.569 2.379 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.130 -9.833 1.829 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.214 -10.264 1.903 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.274 -10.770 0.824 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.076 -11.203 0.898 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.831 -11.456 0.358 1.00 0.00 C ATOM 0 H PHE A 42 -2.336 -9.460 5.804 1.00 0.00 H new ATOM 0 HA PHE A 42 0.349 -9.469 4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.328 -8.389 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.857 -7.598 3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.997 -9.300 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.190 -10.070 2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.249 -10.966 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.941 -11.738 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.721 -12.189 -0.427 1.00 0.00 H new ATOM 671 N LEU A 43 -0.473 -7.772 6.898 1.00 0.00 N ATOM 672 CA LEU A 43 -0.197 -6.649 7.787 1.00 0.00 C ATOM 673 C LEU A 43 1.290 -6.568 8.115 1.00 0.00 C ATOM 674 O LEU A 43 1.957 -5.589 7.783 1.00 0.00 O ATOM 675 CB LEU A 43 -1.009 -6.782 9.076 1.00 0.00 C ATOM 676 CG LEU A 43 -2.402 -6.151 9.060 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.111 -6.389 10.384 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.309 -4.661 8.762 1.00 0.00 C ATOM 0 H LEU A 43 -0.848 -8.597 7.365 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.488 -5.732 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.115 -7.842 9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.438 -6.334 9.889 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.985 -6.623 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.101 -5.933 10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.210 -7.461 10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.531 -5.944 11.192 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.309 -4.228 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.708 -4.173 9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.842 -4.513 7.788 1.00 0.00 H new ATOM 690 N ARG A 44 1.804 -7.606 8.769 1.00 0.00 N ATOM 691 CA ARG A 44 3.213 -7.652 9.141 1.00 0.00 C ATOM 692 C ARG A 44 3.954 -8.714 8.334 1.00 0.00 C ATOM 693 O ARG A 44 3.388 -9.751 7.985 1.00 0.00 O ATOM 694 CB ARG A 44 3.357 -7.940 10.637 1.00 0.00 C ATOM 695 CG ARG A 44 4.609 -7.338 11.255 1.00 0.00 C ATOM 696 CD ARG A 44 5.785 -8.299 11.179 1.00 0.00 C ATOM 697 NE ARG A 44 5.697 -9.352 12.187 1.00 0.00 N ATOM 698 CZ ARG A 44 6.737 -10.074 12.588 1.00 0.00 C ATOM 699 NH1 ARG A 44 7.938 -9.859 12.069 1.00 0.00 N ATOM 700 NH2 ARG A 44 6.577 -11.015 13.510 1.00 0.00 N ATOM 0 H ARG A 44 1.266 -8.425 9.052 1.00 0.00 H new ATOM 0 HA ARG A 44 3.654 -6.680 8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.482 -7.553 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.368 -9.019 10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.861 -6.411 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.415 -7.081 12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.822 -8.749 10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.715 -7.746 11.313 1.00 0.00 H new ATOM 0 HE ARG A 44 4.787 -9.543 12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.065 -9.137 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.735 -10.415 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.655 -11.184 13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.376 -11.569 13.817 1.00 0.00 H new ATOM 714 N LEU A 45 5.222 -8.449 8.041 1.00 0.00 N ATOM 715 CA LEU A 45 6.041 -9.381 7.274 1.00 0.00 C ATOM 716 C LEU A 45 7.132 -9.993 8.148 1.00 0.00 C ATOM 717 O LEU A 45 7.608 -9.385 9.107 1.00 0.00 O ATOM 718 CB LEU A 45 6.671 -8.671 6.075 1.00 0.00 C ATOM 719 CG LEU A 45 7.995 -7.953 6.340 1.00 0.00 C ATOM 720 CD1 LEU A 45 9.143 -8.950 6.385 1.00 0.00 C ATOM 721 CD2 LEU A 45 8.249 -6.894 5.277 1.00 0.00 C ATOM 0 H LEU A 45 5.706 -7.596 8.323 1.00 0.00 H new ATOM 0 HA LEU A 45 5.396 -10.183 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.831 -9.406 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.956 -7.943 5.692 1.00 0.00 H new ATOM 0 HG LEU A 45 7.931 -7.459 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.077 -8.421 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.967 -9.672 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.209 -9.472 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.195 -6.393 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.293 -7.367 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.441 -6.163 5.292 1.00 0.00 H new ATOM 733 N PRO A 46 7.540 -11.225 7.809 1.00 0.00 N ATOM 734 CA PRO A 46 8.582 -11.945 8.548 1.00 0.00 C ATOM 735 C PRO A 46 9.962 -11.327 8.354 1.00 0.00 C ATOM 736 O PRO A 46 10.411 -11.129 7.225 1.00 0.00 O ATOM 737 CB PRO A 46 8.536 -13.351 7.946 1.00 0.00 C ATOM 738 CG PRO A 46 7.981 -13.160 6.577 1.00 0.00 C ATOM 739 CD PRO A 46 7.017 -12.009 6.678 1.00 0.00 C ATOM 0 HA PRO A 46 8.409 -11.921 9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.529 -13.799 7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.907 -14.015 8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.774 -12.943 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.477 -14.062 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.993 -11.423 5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.999 -12.352 6.863 1.00 0.00 H new ATOM 747 N SER A 47 10.632 -11.026 9.462 1.00 0.00 N ATOM 748 CA SER A 47 11.961 -10.428 9.413 1.00 0.00 C ATOM 749 C SER A 47 13.017 -11.477 9.080 1.00 0.00 C ATOM 750 O SER A 47 12.703 -12.653 8.897 1.00 0.00 O ATOM 751 CB SER A 47 12.292 -9.760 10.749 1.00 0.00 C ATOM 752 OG SER A 47 11.329 -8.775 11.080 1.00 0.00 O ATOM 0 H SER A 47 10.276 -11.186 10.404 1.00 0.00 H new ATOM 0 HA SER A 47 11.964 -9.673 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.331 -10.513 11.536 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.280 -9.303 10.696 1.00 0.00 H new ATOM 0 HG SER A 47 11.563 -8.365 11.939 1.00 0.00 H new ATOM 758 N ARG A 48 14.271 -11.042 9.002 1.00 0.00 N ATOM 759 CA ARG A 48 15.374 -11.942 8.690 1.00 0.00 C ATOM 760 C ARG A 48 15.618 -12.920 9.836 1.00 0.00 C ATOM 761 O ARG A 48 15.910 -14.095 9.611 1.00 0.00 O ATOM 762 CB ARG A 48 16.648 -11.144 8.407 1.00 0.00 C ATOM 763 CG ARG A 48 17.024 -10.182 9.523 1.00 0.00 C ATOM 764 CD ARG A 48 18.373 -9.530 9.264 1.00 0.00 C ATOM 765 NE ARG A 48 19.483 -10.427 9.577 1.00 0.00 N ATOM 766 CZ ARG A 48 20.718 -10.254 9.120 1.00 0.00 C ATOM 767 NH1 ARG A 48 21.000 -9.224 8.334 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.675 -11.113 9.449 1.00 0.00 N ATOM 0 H ARG A 48 14.548 -10.072 9.151 1.00 0.00 H new ATOM 0 HA ARG A 48 15.105 -12.511 7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.473 -11.838 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.517 -10.582 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.258 -9.412 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.053 -10.717 10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.435 -9.228 8.219 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.459 -8.624 9.864 1.00 0.00 H new ATOM 0 HE ARG A 48 19.300 -11.230 10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.267 -8.562 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.949 -9.094 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.462 -11.907 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.623 -10.979 9.098 1.00 0.00 H new ATOM 782 N SER A 49 15.498 -12.427 11.064 1.00 0.00 N ATOM 783 CA SER A 49 15.710 -13.256 12.245 1.00 0.00 C ATOM 784 C SER A 49 14.813 -14.490 12.210 1.00 0.00 C ATOM 785 O SER A 49 15.077 -15.480 12.892 1.00 0.00 O ATOM 786 CB SER A 49 15.437 -12.449 13.516 1.00 0.00 C ATOM 787 OG SER A 49 16.036 -13.060 14.646 1.00 0.00 O ATOM 0 H SER A 49 15.255 -11.457 11.267 1.00 0.00 H new ATOM 0 HA SER A 49 16.750 -13.584 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.824 -11.437 13.398 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.362 -12.363 13.672 1.00 0.00 H new ATOM 0 HG SER A 49 15.849 -12.525 15.445 1.00 0.00 H new ATOM 793 N GLU A 50 13.753 -14.421 11.412 1.00 0.00 N ATOM 794 CA GLU A 50 12.816 -15.532 11.289 1.00 0.00 C ATOM 795 C GLU A 50 12.925 -16.185 9.914 1.00 0.00 C ATOM 796 O GLU A 50 13.334 -17.341 9.793 1.00 0.00 O ATOM 797 CB GLU A 50 11.384 -15.050 11.525 1.00 0.00 C ATOM 798 CG GLU A 50 10.968 -15.071 12.986 1.00 0.00 C ATOM 799 CD GLU A 50 10.668 -16.470 13.488 1.00 0.00 C ATOM 800 OE1 GLU A 50 11.559 -17.339 13.393 1.00 0.00 O ATOM 801 OE2 GLU A 50 9.540 -16.695 13.975 1.00 0.00 O ATOM 0 H GLU A 50 13.521 -13.608 10.841 1.00 0.00 H new ATOM 0 HA GLU A 50 13.070 -16.274 12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.284 -14.034 11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.700 -15.676 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.762 -14.634 13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.085 -14.445 13.117 1.00 0.00 H new ATOM 808 N LEU A 51 12.554 -15.438 8.880 1.00 0.00 N ATOM 809 CA LEU A 51 12.609 -15.943 7.512 1.00 0.00 C ATOM 810 C LEU A 51 13.269 -14.929 6.583 1.00 0.00 C ATOM 811 O LEU A 51 12.609 -14.089 5.971 1.00 0.00 O ATOM 812 CB LEU A 51 11.200 -16.269 7.012 1.00 0.00 C ATOM 813 CG LEU A 51 11.112 -16.903 5.623 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.429 -18.388 5.693 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.732 -16.678 5.022 1.00 0.00 C ATOM 0 H LEU A 51 12.212 -14.481 8.963 1.00 0.00 H new ATOM 0 HA LEU A 51 13.209 -16.853 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.729 -16.943 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.615 -15.349 7.007 1.00 0.00 H new ATOM 0 HG LEU A 51 11.850 -16.425 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.361 -18.822 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.438 -18.527 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.715 -18.882 6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.687 -17.135 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.977 -17.129 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.543 -15.608 4.936 1.00 0.00 H new ATOM 827 N PRO A 52 14.603 -15.009 6.473 1.00 0.00 N ATOM 828 CA PRO A 52 15.382 -14.108 5.618 1.00 0.00 C ATOM 829 C PRO A 52 15.145 -14.368 4.134 1.00 0.00 C ATOM 830 O PRO A 52 15.318 -13.476 3.303 1.00 0.00 O ATOM 831 CB PRO A 52 16.831 -14.428 5.992 1.00 0.00 C ATOM 832 CG PRO A 52 16.791 -15.827 6.502 1.00 0.00 C ATOM 833 CD PRO A 52 15.455 -15.985 7.173 1.00 0.00 C ATOM 0 HA PRO A 52 15.109 -13.064 5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.491 -14.340 5.129 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.205 -13.741 6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.906 -16.543 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.604 -16.010 7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.071 -17.000 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.514 -15.774 8.241 1.00 0.00 H new ATOM 841 N ASP A 53 14.749 -15.593 3.809 1.00 0.00 N ATOM 842 CA ASP A 53 14.487 -15.970 2.425 1.00 0.00 C ATOM 843 C ASP A 53 13.502 -15.003 1.775 1.00 0.00 C ATOM 844 O ASP A 53 13.683 -14.593 0.628 1.00 0.00 O ATOM 845 CB ASP A 53 13.940 -17.396 2.357 1.00 0.00 C ATOM 846 CG ASP A 53 13.398 -17.744 0.984 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.849 -17.129 -0.004 1.00 0.00 O ATOM 848 OD2 ASP A 53 12.524 -18.631 0.898 1.00 0.00 O ATOM 0 H ASP A 53 14.602 -16.342 4.485 1.00 0.00 H new ATOM 0 HA ASP A 53 15.429 -15.924 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.731 -18.098 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.149 -17.514 3.097 1.00 0.00 H new ATOM 853 N TYR A 54 12.460 -14.642 2.516 1.00 0.00 N ATOM 854 CA TYR A 54 11.444 -13.726 2.011 1.00 0.00 C ATOM 855 C TYR A 54 12.075 -12.419 1.541 1.00 0.00 C ATOM 856 O TYR A 54 11.526 -11.724 0.685 1.00 0.00 O ATOM 857 CB TYR A 54 10.401 -13.442 3.093 1.00 0.00 C ATOM 858 CG TYR A 54 9.363 -12.423 2.680 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.701 -11.086 2.514 1.00 0.00 C ATOM 860 CD2 TYR A 54 8.043 -12.797 2.458 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.756 -10.151 2.138 1.00 0.00 C ATOM 862 CE2 TYR A 54 7.092 -11.870 2.080 1.00 0.00 C ATOM 863 CZ TYR A 54 7.453 -10.548 1.921 1.00 0.00 C ATOM 864 OH TYR A 54 6.508 -9.621 1.546 1.00 0.00 O ATOM 0 H TYR A 54 12.297 -14.970 3.468 1.00 0.00 H new ATOM 0 HA TYR A 54 10.955 -14.199 1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.899 -14.373 3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 54 10.908 -13.089 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.721 -10.772 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.756 -13.831 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.036 -9.115 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.071 -12.178 1.910 1.00 0.00 H new ATOM 0 HH TYR A 54 5.642 -10.065 1.433 1.00 0.00 H new ATOM 874 N TYR A 55 13.231 -12.091 2.106 1.00 0.00 N ATOM 875 CA TYR A 55 13.938 -10.867 1.747 1.00 0.00 C ATOM 876 C TYR A 55 14.854 -11.098 0.549 1.00 0.00 C ATOM 877 O TYR A 55 14.875 -10.305 -0.394 1.00 0.00 O ATOM 878 CB TYR A 55 14.753 -10.357 2.936 1.00 0.00 C ATOM 879 CG TYR A 55 13.949 -9.522 3.907 1.00 0.00 C ATOM 880 CD1 TYR A 55 13.140 -8.485 3.458 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.000 -9.769 5.273 1.00 0.00 C ATOM 882 CE1 TYR A 55 12.405 -7.719 4.342 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.266 -9.009 6.164 1.00 0.00 C ATOM 884 CZ TYR A 55 12.471 -7.985 5.694 1.00 0.00 C ATOM 885 OH TYR A 55 11.740 -7.225 6.578 1.00 0.00 O ATOM 0 H TYR A 55 13.699 -12.656 2.815 1.00 0.00 H new ATOM 0 HA TYR A 55 13.197 -10.116 1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 55 15.177 -11.209 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 55 15.589 -9.764 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 55 13.085 -8.274 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 55 14.624 -10.568 5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 55 11.782 -6.916 3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.315 -9.216 7.223 1.00 0.00 H new ATOM 0 HH TYR A 55 11.898 -7.543 7.491 1.00 0.00 H new ATOM 895 N LEU A 56 15.610 -12.189 0.593 1.00 0.00 N ATOM 896 CA LEU A 56 16.529 -12.527 -0.488 1.00 0.00 C ATOM 897 C LEU A 56 15.789 -12.636 -1.818 1.00 0.00 C ATOM 898 O LEU A 56 16.276 -12.177 -2.852 1.00 0.00 O ATOM 899 CB LEU A 56 17.246 -13.843 -0.182 1.00 0.00 C ATOM 900 CG LEU A 56 16.563 -15.114 -0.687 1.00 0.00 C ATOM 901 CD1 LEU A 56 16.824 -15.306 -2.173 1.00 0.00 C ATOM 902 CD2 LEU A 56 17.040 -16.325 0.100 1.00 0.00 C ATOM 0 H LEU A 56 15.605 -12.855 1.366 1.00 0.00 H new ATOM 0 HA LEU A 56 17.266 -11.728 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.246 -13.797 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.367 -13.925 0.898 1.00 0.00 H new ATOM 0 HG LEU A 56 15.488 -15.009 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.330 -16.216 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.432 -14.451 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.897 -15.389 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.543 -17.220 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 18.118 -16.433 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.801 -16.191 1.155 1.00 0.00 H new ATOM 914 N THR A 57 14.608 -13.245 -1.784 1.00 0.00 N ATOM 915 CA THR A 57 13.800 -13.414 -2.985 1.00 0.00 C ATOM 916 C THR A 57 13.328 -12.068 -3.524 1.00 0.00 C ATOM 917 O THR A 57 13.456 -11.786 -4.716 1.00 0.00 O ATOM 918 CB THR A 57 12.573 -14.305 -2.717 1.00 0.00 C ATOM 919 OG1 THR A 57 12.926 -15.370 -1.827 1.00 0.00 O ATOM 920 CG2 THR A 57 12.028 -14.882 -4.015 1.00 0.00 C ATOM 0 H THR A 57 14.190 -13.630 -0.937 1.00 0.00 H new ATOM 0 HA THR A 57 14.435 -13.898 -3.727 1.00 0.00 H new ATOM 0 HB THR A 57 11.799 -13.690 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.848 -15.061 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.162 -15.508 -3.800 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.733 -14.069 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.799 -15.483 -4.498 1.00 0.00 H new ATOM 928 N ILE A 58 12.784 -11.240 -2.638 1.00 0.00 N ATOM 929 CA ILE A 58 12.295 -9.922 -3.025 1.00 0.00 C ATOM 930 C ILE A 58 13.298 -8.834 -2.659 1.00 0.00 C ATOM 931 O ILE A 58 13.489 -8.520 -1.484 1.00 0.00 O ATOM 932 CB ILE A 58 10.944 -9.605 -2.358 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.816 -10.375 -3.047 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.672 -8.108 -2.398 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.089 -11.857 -3.179 1.00 0.00 C ATOM 0 H ILE A 58 12.671 -11.458 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 58 12.161 -9.940 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 58 10.988 -9.919 -1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.893 -10.232 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.653 -9.954 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.713 -7.900 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.463 -7.580 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.644 -7.771 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.247 -12.339 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.994 -12.009 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.223 -12.292 -2.189 1.00 0.00 H new ATOM 947 N LYS A 59 13.937 -8.260 -3.673 1.00 0.00 N ATOM 948 CA LYS A 59 14.919 -7.204 -3.460 1.00 0.00 C ATOM 949 C LYS A 59 14.263 -5.963 -2.865 1.00 0.00 C ATOM 950 O LYS A 59 14.884 -5.226 -2.099 1.00 0.00 O ATOM 951 CB LYS A 59 15.609 -6.847 -4.779 1.00 0.00 C ATOM 952 CG LYS A 59 16.860 -7.664 -5.052 1.00 0.00 C ATOM 953 CD LYS A 59 16.518 -9.085 -5.469 1.00 0.00 C ATOM 954 CE LYS A 59 16.334 -9.195 -6.975 1.00 0.00 C ATOM 955 NZ LYS A 59 14.949 -8.841 -7.392 1.00 0.00 N ATOM 0 H LYS A 59 13.792 -8.509 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 59 15.664 -7.572 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.905 -6.992 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.872 -5.789 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.445 -7.184 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.483 -7.686 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.311 -9.760 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.605 -9.403 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.044 -8.537 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.561 -10.212 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.691 -9.387 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.287 -9.064 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.900 -7.825 -7.607 1.00 0.00 H new ATOM 969 N LYS A 60 13.003 -5.736 -3.222 1.00 0.00 N ATOM 970 CA LYS A 60 12.261 -4.586 -2.722 1.00 0.00 C ATOM 971 C LYS A 60 10.996 -5.029 -1.992 1.00 0.00 C ATOM 972 O LYS A 60 9.897 -5.025 -2.546 1.00 0.00 O ATOM 973 CB LYS A 60 11.894 -3.648 -3.875 1.00 0.00 C ATOM 974 CG LYS A 60 11.757 -2.195 -3.457 1.00 0.00 C ATOM 975 CD LYS A 60 11.518 -1.290 -4.654 1.00 0.00 C ATOM 976 CE LYS A 60 11.848 0.159 -4.333 1.00 0.00 C ATOM 977 NZ LYS A 60 11.015 1.106 -5.124 1.00 0.00 N ATOM 0 H LYS A 60 12.475 -6.335 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 60 12.899 -4.053 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.656 -3.724 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.955 -3.980 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.931 -2.094 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.660 -1.879 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.128 -1.626 -5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.477 -1.366 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.692 0.340 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.902 0.345 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.270 2.083 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.182 0.951 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.010 0.946 -4.910 1.00 0.00 H new ATOM 991 N PRO A 61 11.153 -5.420 -0.719 1.00 0.00 N ATOM 992 CA PRO A 61 10.035 -5.871 0.114 1.00 0.00 C ATOM 993 C PRO A 61 9.086 -4.734 0.477 1.00 0.00 C ATOM 994 O PRO A 61 9.520 -3.616 0.754 1.00 0.00 O ATOM 995 CB PRO A 61 10.723 -6.414 1.369 1.00 0.00 C ATOM 996 CG PRO A 61 12.022 -5.687 1.433 1.00 0.00 C ATOM 997 CD PRO A 61 12.435 -5.450 0.006 1.00 0.00 C ATOM 0 HA PRO A 61 9.415 -6.605 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.123 -6.231 2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.875 -7.491 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.916 -4.744 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.772 -6.274 1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.981 -4.513 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.086 -6.243 -0.361 1.00 0.00 H new ATOM 1005 N MET A 62 7.790 -5.027 0.474 1.00 0.00 N ATOM 1006 CA MET A 62 6.780 -4.028 0.805 1.00 0.00 C ATOM 1007 C MET A 62 5.800 -4.569 1.841 1.00 0.00 C ATOM 1008 O MET A 62 5.101 -5.552 1.595 1.00 0.00 O ATOM 1009 CB MET A 62 6.025 -3.599 -0.454 1.00 0.00 C ATOM 1010 CG MET A 62 4.886 -2.631 -0.179 1.00 0.00 C ATOM 1011 SD MET A 62 5.408 -1.200 0.786 1.00 0.00 S ATOM 1012 CE MET A 62 6.559 -0.428 -0.349 1.00 0.00 C ATOM 0 H MET A 62 7.414 -5.947 0.246 1.00 0.00 H new ATOM 0 HA MET A 62 7.287 -3.161 1.229 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.726 -3.135 -1.148 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.627 -4.485 -0.949 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.466 -2.292 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.091 -3.153 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.833 0.558 0.025 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.454 -1.045 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.092 -0.328 -1.329 1.00 0.00 H new ATOM 1022 N ASP A 63 5.754 -3.920 3.000 1.00 0.00 N ATOM 1023 CA ASP A 63 4.858 -4.336 4.073 1.00 0.00 C ATOM 1024 C ASP A 63 3.866 -3.228 4.413 1.00 0.00 C ATOM 1025 O ASP A 63 4.186 -2.044 4.314 1.00 0.00 O ATOM 1026 CB ASP A 63 5.661 -4.718 5.317 1.00 0.00 C ATOM 1027 CG ASP A 63 6.883 -3.842 5.509 1.00 0.00 C ATOM 1028 OD1 ASP A 63 7.738 -3.809 4.599 1.00 0.00 O ATOM 1029 OD2 ASP A 63 6.986 -3.190 6.569 1.00 0.00 O ATOM 0 H ASP A 63 6.326 -3.105 3.220 1.00 0.00 H new ATOM 0 HA ASP A 63 4.299 -5.206 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.021 -4.642 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.973 -5.760 5.239 1.00 0.00 H new ATOM 1034 N MET A 64 2.661 -3.621 4.813 1.00 0.00 N ATOM 1035 CA MET A 64 1.623 -2.660 5.167 1.00 0.00 C ATOM 1036 C MET A 64 2.143 -1.648 6.182 1.00 0.00 C ATOM 1037 O MET A 64 1.917 -0.446 6.044 1.00 0.00 O ATOM 1038 CB MET A 64 0.399 -3.385 5.732 1.00 0.00 C ATOM 1039 CG MET A 64 -0.546 -3.905 4.662 1.00 0.00 C ATOM 1040 SD MET A 64 -1.490 -2.589 3.869 1.00 0.00 S ATOM 1041 CE MET A 64 -3.166 -3.126 4.202 1.00 0.00 C ATOM 0 H MET A 64 2.380 -4.598 4.900 1.00 0.00 H new ATOM 0 HA MET A 64 1.334 -2.125 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.734 -4.220 6.347 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.146 -2.705 6.387 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.027 -4.442 3.906 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.235 -4.622 5.108 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.868 -2.385 3.819 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.345 -4.083 3.712 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.306 -3.237 5.277 1.00 0.00 H new ATOM 1051 N GLU A 65 2.838 -2.142 7.202 1.00 0.00 N ATOM 1052 CA GLU A 65 3.388 -1.279 8.240 1.00 0.00 C ATOM 1053 C GLU A 65 4.244 -0.172 7.631 1.00 0.00 C ATOM 1054 O GLU A 65 4.471 0.867 8.252 1.00 0.00 O ATOM 1055 CB GLU A 65 4.223 -2.099 9.227 1.00 0.00 C ATOM 1056 CG GLU A 65 3.429 -3.176 9.947 1.00 0.00 C ATOM 1057 CD GLU A 65 2.773 -2.667 11.216 1.00 0.00 C ATOM 1058 OE1 GLU A 65 2.206 -1.555 11.186 1.00 0.00 O ATOM 1059 OE2 GLU A 65 2.828 -3.381 12.239 1.00 0.00 O ATOM 0 H GLU A 65 3.033 -3.135 7.331 1.00 0.00 H new ATOM 0 HA GLU A 65 2.555 -0.820 8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.049 -2.566 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.661 -1.427 9.965 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.662 -3.566 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.090 -4.007 10.192 1.00 0.00 H new ATOM 1066 N LYS A 66 4.717 -0.401 6.411 1.00 0.00 N ATOM 1067 CA LYS A 66 5.546 0.575 5.715 1.00 0.00 C ATOM 1068 C LYS A 66 4.717 1.775 5.269 1.00 0.00 C ATOM 1069 O LYS A 66 5.013 2.914 5.631 1.00 0.00 O ATOM 1070 CB LYS A 66 6.221 -0.070 4.503 1.00 0.00 C ATOM 1071 CG LYS A 66 7.344 0.766 3.915 1.00 0.00 C ATOM 1072 CD LYS A 66 8.107 0.003 2.844 1.00 0.00 C ATOM 1073 CE LYS A 66 9.260 -0.790 3.440 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.197 -1.278 2.391 1.00 0.00 N ATOM 0 H LYS A 66 4.540 -1.256 5.883 1.00 0.00 H new ATOM 0 HA LYS A 66 6.312 0.923 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.618 -1.043 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.471 -0.249 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.932 1.680 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.030 1.065 4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.429 -0.674 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.490 0.702 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.802 -0.165 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.866 -1.639 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.104 -1.538 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.788 -2.111 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.355 -0.527 1.690 1.00 0.00 H new ATOM 1088 N ILE A 67 3.678 1.512 4.484 1.00 0.00 N ATOM 1089 CA ILE A 67 2.805 2.570 3.992 1.00 0.00 C ATOM 1090 C ILE A 67 2.417 3.528 5.114 1.00 0.00 C ATOM 1091 O ILE A 67 2.667 4.731 5.030 1.00 0.00 O ATOM 1092 CB ILE A 67 1.525 1.995 3.358 1.00 0.00 C ATOM 1093 CG1 ILE A 67 1.852 1.304 2.033 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.497 3.096 3.148 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.180 -0.165 2.182 1.00 0.00 C ATOM 0 H ILE A 67 3.420 0.575 4.175 1.00 0.00 H new ATOM 0 HA ILE A 67 3.365 3.113 3.231 1.00 0.00 H new ATOM 0 HB ILE A 67 1.102 1.255 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.003 1.412 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.697 1.811 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.402 2.674 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.246 3.547 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.910 3.858 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.401 -0.590 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.047 -0.280 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.328 -0.686 2.619 1.00 0.00 H new ATOM 1107 N ARG A 68 1.807 2.987 6.163 1.00 0.00 N ATOM 1108 CA ARG A 68 1.385 3.793 7.301 1.00 0.00 C ATOM 1109 C ARG A 68 2.571 4.536 7.911 1.00 0.00 C ATOM 1110 O ARG A 68 2.458 5.702 8.287 1.00 0.00 O ATOM 1111 CB ARG A 68 0.723 2.911 8.361 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.195 3.674 9.303 1.00 0.00 C ATOM 1113 CD ARG A 68 0.575 4.262 10.475 1.00 0.00 C ATOM 1114 NE ARG A 68 1.085 3.226 11.370 1.00 0.00 N ATOM 1115 CZ ARG A 68 1.961 3.459 12.340 1.00 0.00 C ATOM 1116 NH1 ARG A 68 2.423 4.686 12.540 1.00 0.00 N ATOM 1117 NH2 ARG A 68 2.378 2.464 13.113 1.00 0.00 N ATOM 0 H ARG A 68 1.594 1.993 6.248 1.00 0.00 H new ATOM 0 HA ARG A 68 0.662 4.527 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.150 2.128 7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.499 2.416 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.695 4.474 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.973 3.007 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.407 4.858 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.074 4.936 11.034 1.00 0.00 H new ATOM 0 HE ARG A 68 0.750 2.271 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.105 5.453 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.096 4.862 13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.025 1.519 12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.051 2.644 13.858 1.00 0.00 H new ATOM 1131 N SER A 69 3.706 3.851 8.005 1.00 0.00 N ATOM 1132 CA SER A 69 4.911 4.443 8.573 1.00 0.00 C ATOM 1133 C SER A 69 5.188 5.810 7.954 1.00 0.00 C ATOM 1134 O SER A 69 5.070 6.841 8.616 1.00 0.00 O ATOM 1135 CB SER A 69 6.111 3.519 8.356 1.00 0.00 C ATOM 1136 OG SER A 69 7.250 3.990 9.054 1.00 0.00 O ATOM 0 H SER A 69 3.816 2.885 7.695 1.00 0.00 H new ATOM 0 HA SER A 69 4.752 4.573 9.643 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.864 2.512 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.335 3.452 7.291 1.00 0.00 H new ATOM 0 HG SER A 69 8.003 3.381 8.901 1.00 0.00 H new ATOM 1142 N HIS A 70 5.559 5.809 6.677 1.00 0.00 N ATOM 1143 CA HIS A 70 5.853 7.048 5.966 1.00 0.00 C ATOM 1144 C HIS A 70 4.600 7.908 5.831 1.00 0.00 C ATOM 1145 O HIS A 70 4.646 9.123 6.020 1.00 0.00 O ATOM 1146 CB HIS A 70 6.428 6.743 4.582 1.00 0.00 C ATOM 1147 CG HIS A 70 7.821 6.194 4.620 1.00 0.00 C ATOM 1148 ND1 HIS A 70 8.969 6.655 4.071 1.00 0.00 N flip ATOM 1149 CD2 HIS A 70 8.154 5.032 5.283 1.00 0.00 C flip ATOM 1150 CE1 HIS A 70 9.965 5.772 4.409 1.00 0.00 C flip ATOM 1151 NE2 HIS A 70 9.448 4.802 5.141 1.00 0.00 N flip ATOM 0 H HIS A 70 5.663 4.965 6.114 1.00 0.00 H new ATOM 0 HA HIS A 70 6.592 7.603 6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.778 6.028 4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.422 7.656 3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.465 4.407 5.832 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.003 5.857 4.123 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.960 4.010 5.530 1.00 0.00 H new ATOM 1160 N MET A 71 3.482 7.268 5.501 1.00 0.00 N ATOM 1161 CA MET A 71 2.217 7.975 5.341 1.00 0.00 C ATOM 1162 C MET A 71 1.985 8.942 6.498 1.00 0.00 C ATOM 1163 O MET A 71 1.636 10.104 6.287 1.00 0.00 O ATOM 1164 CB MET A 71 1.059 6.979 5.254 1.00 0.00 C ATOM 1165 CG MET A 71 -0.306 7.640 5.165 1.00 0.00 C ATOM 1166 SD MET A 71 -1.613 6.479 4.723 1.00 0.00 S ATOM 1167 CE MET A 71 -1.978 5.756 6.321 1.00 0.00 C ATOM 0 H MET A 71 3.427 6.262 5.340 1.00 0.00 H new ATOM 0 HA MET A 71 2.264 8.548 4.415 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.203 6.343 4.381 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.083 6.330 6.129 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.545 8.102 6.123 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.270 8.440 4.425 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.542 4.758 6.377 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.556 6.381 7.108 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.058 5.688 6.451 1.00 0.00 H new ATOM 1177 N MET A 72 2.179 8.456 7.719 1.00 0.00 N ATOM 1178 CA MET A 72 1.991 9.279 8.908 1.00 0.00 C ATOM 1179 C MET A 72 3.040 10.384 8.975 1.00 0.00 C ATOM 1180 O MET A 72 2.840 11.403 9.636 1.00 0.00 O ATOM 1181 CB MET A 72 2.063 8.415 10.169 1.00 0.00 C ATOM 1182 CG MET A 72 0.786 7.638 10.446 1.00 0.00 C ATOM 1183 SD MET A 72 -0.622 8.714 10.784 1.00 0.00 S ATOM 1184 CE MET A 72 -1.598 8.469 9.303 1.00 0.00 C ATOM 0 H MET A 72 2.466 7.496 7.911 1.00 0.00 H new ATOM 0 HA MET A 72 1.005 9.740 8.848 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.892 7.714 10.072 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.283 9.053 11.025 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.557 7.005 9.589 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.945 6.976 11.297 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.258 9.324 9.156 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.936 8.370 8.443 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.196 7.563 9.407 1.00 0.00 H new ATOM 1194 N ALA A 73 4.158 10.176 8.287 1.00 0.00 N ATOM 1195 CA ALA A 73 5.237 11.156 8.268 1.00 0.00 C ATOM 1196 C ALA A 73 5.027 12.182 7.160 1.00 0.00 C ATOM 1197 O ALA A 73 5.842 13.085 6.975 1.00 0.00 O ATOM 1198 CB ALA A 73 6.579 10.460 8.099 1.00 0.00 C ATOM 0 H ALA A 73 4.340 9.338 7.735 1.00 0.00 H new ATOM 0 HA ALA A 73 5.232 11.684 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.376 11.204 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.739 9.771 8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.586 9.905 7.161 1.00 0.00 H new ATOM 1204 N ASN A 74 3.930 12.035 6.424 1.00 0.00 N ATOM 1205 CA ASN A 74 3.614 12.949 5.332 1.00 0.00 C ATOM 1206 C ASN A 74 4.790 13.070 4.367 1.00 0.00 C ATOM 1207 O ASN A 74 5.192 14.173 3.995 1.00 0.00 O ATOM 1208 CB ASN A 74 3.248 14.328 5.883 1.00 0.00 C ATOM 1209 CG ASN A 74 1.834 14.377 6.427 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.379 13.443 7.088 1.00 0.00 O ATOM 1211 ND2 ASN A 74 1.131 15.469 6.151 1.00 0.00 N ATOM 0 H ASN A 74 3.245 11.292 6.564 1.00 0.00 H new ATOM 0 HA ASN A 74 2.760 12.545 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.948 14.598 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.357 15.072 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.173 15.558 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.549 16.219 5.599 1.00 0.00 H new ATOM 1218 N LYS A 75 5.337 11.928 3.964 1.00 0.00 N ATOM 1219 CA LYS A 75 6.465 11.904 3.040 1.00 0.00 C ATOM 1220 C LYS A 75 5.996 11.625 1.616 1.00 0.00 C ATOM 1221 O LYS A 75 6.755 11.785 0.660 1.00 0.00 O ATOM 1222 CB LYS A 75 7.481 10.844 3.471 1.00 0.00 C ATOM 1223 CG LYS A 75 8.136 11.138 4.810 1.00 0.00 C ATOM 1224 CD LYS A 75 8.643 9.869 5.474 1.00 0.00 C ATOM 1225 CE LYS A 75 10.005 9.463 4.934 1.00 0.00 C ATOM 1226 NZ LYS A 75 11.050 10.477 5.245 1.00 0.00 N ATOM 0 H LYS A 75 5.017 11.007 4.263 1.00 0.00 H new ATOM 0 HA LYS A 75 6.941 12.884 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.983 9.876 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.255 10.763 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.965 11.831 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.419 11.631 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.709 10.022 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.930 9.061 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.293 8.502 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.942 9.326 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.984 10.020 5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.039 11.221 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.858 10.900 6.176 1.00 0.00 H new ATOM 1240 N TYR A 76 4.742 11.207 1.482 1.00 0.00 N ATOM 1241 CA TYR A 76 4.173 10.905 0.174 1.00 0.00 C ATOM 1242 C TYR A 76 3.998 12.176 -0.651 1.00 0.00 C ATOM 1243 O TYR A 76 4.400 13.261 -0.232 1.00 0.00 O ATOM 1244 CB TYR A 76 2.827 10.197 0.332 1.00 0.00 C ATOM 1245 CG TYR A 76 1.876 10.906 1.269 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.473 12.213 1.024 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.379 10.269 2.400 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.605 12.865 1.878 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.509 10.913 3.258 1.00 0.00 C ATOM 1250 CZ TYR A 76 0.125 12.211 2.993 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.741 12.857 3.846 1.00 0.00 O ATOM 0 H TYR A 76 4.100 11.070 2.263 1.00 0.00 H new ATOM 0 HA TYR A 76 4.864 10.245 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.357 10.105 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.999 9.185 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.845 12.728 0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.678 9.253 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.304 13.882 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.131 10.403 4.132 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.985 12.256 4.581 1.00 0.00 H new ATOM 1261 N GLN A 77 3.395 12.032 -1.827 1.00 0.00 N ATOM 1262 CA GLN A 77 3.166 13.168 -2.712 1.00 0.00 C ATOM 1263 C GLN A 77 1.711 13.219 -3.167 1.00 0.00 C ATOM 1264 O GLN A 77 1.158 14.296 -3.389 1.00 0.00 O ATOM 1265 CB GLN A 77 4.091 13.089 -3.927 1.00 0.00 C ATOM 1266 CG GLN A 77 3.885 11.840 -4.768 1.00 0.00 C ATOM 1267 CD GLN A 77 5.030 11.588 -5.730 1.00 0.00 C ATOM 1268 OE1 GLN A 77 6.179 11.428 -5.317 1.00 0.00 O ATOM 1269 NE2 GLN A 77 4.722 11.553 -7.021 1.00 0.00 N ATOM 0 H GLN A 77 3.056 11.140 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 77 3.385 14.080 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.932 13.968 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.126 13.122 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.772 10.978 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.957 11.935 -5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.756 11.691 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.451 11.388 -7.715 1.00 0.00 H new ATOM 1278 N ASP A 78 1.099 12.049 -3.305 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.293 11.960 -3.734 1.00 0.00 C ATOM 1280 C ASP A 78 -0.798 10.524 -3.643 1.00 0.00 C ATOM 1281 O ASP A 78 -0.012 9.586 -3.508 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.441 12.477 -5.165 1.00 0.00 C ATOM 1283 CG ASP A 78 -0.674 13.974 -5.219 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -1.740 14.426 -4.752 1.00 0.00 O ATOM 1285 OD2 ASP A 78 0.211 14.693 -5.729 1.00 0.00 O ATOM 0 H ASP A 78 1.544 11.149 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.894 12.580 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.457 12.231 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.273 11.965 -5.649 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.115 10.360 -3.716 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.725 9.038 -3.643 1.00 0.00 C ATOM 1292 C ILE A 79 -1.856 7.992 -4.333 1.00 0.00 C ATOM 1293 O ILE A 79 -1.500 6.975 -3.738 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.126 9.028 -4.282 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.132 9.730 -3.368 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.568 7.600 -4.567 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.471 8.941 -2.123 1.00 0.00 C ATOM 0 H ILE A 79 -2.780 11.126 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.815 8.791 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.082 9.570 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.729 10.700 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.048 9.921 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.560 7.609 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.862 7.130 -5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.599 7.036 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.189 9.499 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.903 7.982 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.565 8.773 -1.541 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.516 8.250 -5.591 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.686 7.333 -6.362 1.00 0.00 C ATOM 1311 C ASP A 80 0.461 6.793 -5.513 1.00 0.00 C ATOM 1312 O ASP A 80 0.722 5.590 -5.497 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.131 8.034 -7.604 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.213 8.361 -8.614 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -2.015 7.461 -8.938 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.256 9.518 -9.083 1.00 0.00 O ATOM 0 H ASP A 80 -1.803 9.087 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.309 6.495 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.373 8.953 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.619 7.397 -8.073 1.00 0.00 H new ATOM 1321 N SER A 81 1.143 7.691 -4.809 1.00 0.00 N ATOM 1322 CA SER A 81 2.266 7.306 -3.962 1.00 0.00 C ATOM 1323 C SER A 81 1.911 6.090 -3.110 1.00 0.00 C ATOM 1324 O SER A 81 2.666 5.120 -3.050 1.00 0.00 O ATOM 1325 CB SER A 81 2.675 8.472 -3.060 1.00 0.00 C ATOM 1326 OG SER A 81 4.046 8.390 -2.713 1.00 0.00 O ATOM 0 H SER A 81 0.937 8.690 -4.808 1.00 0.00 H new ATOM 0 HA SER A 81 3.104 7.044 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.481 9.416 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.067 8.467 -2.156 1.00 0.00 H new ATOM 0 HG SER A 81 4.284 9.147 -2.138 1.00 0.00 H new ATOM 1332 N MET A 82 0.757 6.152 -2.454 1.00 0.00 N ATOM 1333 CA MET A 82 0.301 5.056 -1.607 1.00 0.00 C ATOM 1334 C MET A 82 -0.087 3.844 -2.448 1.00 0.00 C ATOM 1335 O MET A 82 0.036 2.702 -2.003 1.00 0.00 O ATOM 1336 CB MET A 82 -0.889 5.503 -0.755 1.00 0.00 C ATOM 1337 CG MET A 82 -1.445 4.404 0.136 1.00 0.00 C ATOM 1338 SD MET A 82 -2.741 3.444 -0.671 1.00 0.00 S ATOM 1339 CE MET A 82 -4.202 4.329 -0.135 1.00 0.00 C ATOM 0 H MET A 82 0.121 6.949 -2.493 1.00 0.00 H new ATOM 0 HA MET A 82 1.123 4.771 -0.950 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.584 6.345 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.681 5.863 -1.412 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.635 3.737 0.432 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.842 4.848 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.807 3.682 0.500 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.905 5.214 0.427 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.785 4.631 -1.006 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.558 4.099 -3.664 1.00 0.00 N ATOM 1350 CA VAL A 83 -0.963 3.029 -4.568 1.00 0.00 C ATOM 1351 C VAL A 83 0.239 2.207 -5.021 1.00 0.00 C ATOM 1352 O VAL A 83 0.183 0.979 -5.061 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.688 3.585 -5.807 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.043 2.460 -6.768 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -2.932 4.357 -5.395 1.00 0.00 C ATOM 0 H VAL A 83 -0.669 5.038 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.648 2.389 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.016 4.272 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.555 2.872 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.132 1.955 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.697 1.746 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.432 4.743 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.610 3.695 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.647 5.188 -4.749 1.00 0.00 H new ATOM 1365 N GLU A 84 1.324 2.895 -5.361 1.00 0.00 N ATOM 1366 CA GLU A 84 2.540 2.228 -5.813 1.00 0.00 C ATOM 1367 C GLU A 84 2.956 1.134 -4.833 1.00 0.00 C ATOM 1368 O GLU A 84 3.130 -0.023 -5.216 1.00 0.00 O ATOM 1369 CB GLU A 84 3.674 3.242 -5.974 1.00 0.00 C ATOM 1370 CG GLU A 84 3.365 4.350 -6.967 1.00 0.00 C ATOM 1371 CD GLU A 84 4.589 5.167 -7.330 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.500 4.613 -7.980 1.00 0.00 O ATOM 1373 OE2 GLU A 84 4.637 6.360 -6.963 1.00 0.00 O ATOM 0 H GLU A 84 1.386 3.913 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 84 2.334 1.767 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.893 3.687 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.575 2.719 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.943 3.914 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.605 5.008 -6.546 1.00 0.00 H new ATOM 1380 N ASP A 85 3.114 1.509 -3.569 1.00 0.00 N ATOM 1381 CA ASP A 85 3.509 0.561 -2.533 1.00 0.00 C ATOM 1382 C ASP A 85 2.639 -0.691 -2.584 1.00 0.00 C ATOM 1383 O ASP A 85 3.118 -1.779 -2.906 1.00 0.00 O ATOM 1384 CB ASP A 85 3.409 1.211 -1.152 1.00 0.00 C ATOM 1385 CG ASP A 85 3.997 2.608 -1.126 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.971 2.857 -1.869 1.00 0.00 O ATOM 1387 OD2 ASP A 85 3.484 3.453 -0.364 1.00 0.00 O ATOM 0 H ASP A 85 2.975 2.463 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 85 4.544 0.271 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.363 1.255 -0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.927 0.588 -0.422 1.00 0.00 H new ATOM 1392 N PHE A 86 1.360 -0.531 -2.262 1.00 0.00 N ATOM 1393 CA PHE A 86 0.424 -1.649 -2.268 1.00 0.00 C ATOM 1394 C PHE A 86 0.690 -2.574 -3.452 1.00 0.00 C ATOM 1395 O PHE A 86 0.995 -3.754 -3.277 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.016 -1.136 -2.320 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.621 -0.909 -0.965 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.125 -1.970 -0.229 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.687 0.366 -0.426 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.682 -1.764 1.019 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.243 0.578 0.822 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.742 -0.489 1.544 1.00 0.00 C ATOM 0 H PHE A 86 0.948 0.362 -1.993 1.00 0.00 H new ATOM 0 HA PHE A 86 0.567 -2.215 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.040 -0.202 -2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.629 -1.852 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.082 -2.970 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.300 1.204 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.070 -2.600 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.287 1.576 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.179 -0.326 2.518 1.00 0.00 H new ATOM 1412 N VAL A 87 0.571 -2.030 -4.659 1.00 0.00 N ATOM 1413 CA VAL A 87 0.798 -2.805 -5.873 1.00 0.00 C ATOM 1414 C VAL A 87 1.925 -3.813 -5.678 1.00 0.00 C ATOM 1415 O VAL A 87 1.795 -4.982 -6.042 1.00 0.00 O ATOM 1416 CB VAL A 87 1.141 -1.892 -7.065 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.567 -2.721 -8.267 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.043 -1.003 -7.413 1.00 0.00 C ATOM 0 H VAL A 87 0.319 -1.055 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.129 -3.337 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 87 1.976 -1.251 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.805 -2.059 -9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.447 -3.311 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.755 -3.388 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.217 -0.365 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.899 -1.624 -7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.297 -0.382 -6.554 1.00 0.00 H new ATOM 1428 N MET A 88 3.030 -3.353 -5.101 1.00 0.00 N ATOM 1429 CA MET A 88 4.179 -4.217 -4.856 1.00 0.00 C ATOM 1430 C MET A 88 3.791 -5.403 -3.980 1.00 0.00 C ATOM 1431 O MET A 88 3.971 -6.558 -4.368 1.00 0.00 O ATOM 1432 CB MET A 88 5.307 -3.424 -4.191 1.00 0.00 C ATOM 1433 CG MET A 88 5.827 -2.277 -5.042 1.00 0.00 C ATOM 1434 SD MET A 88 6.533 -0.944 -4.055 1.00 0.00 S ATOM 1435 CE MET A 88 7.992 -1.747 -3.395 1.00 0.00 C ATOM 0 H MET A 88 3.154 -2.388 -4.795 1.00 0.00 H new ATOM 0 HA MET A 88 4.528 -4.597 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.950 -3.028 -3.241 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.131 -4.100 -3.965 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.584 -2.654 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.013 -1.882 -5.649 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.537 -1.048 -2.761 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.695 -2.615 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.633 -2.068 -4.216 1.00 0.00 H new ATOM 1445 N MET A 89 3.258 -5.112 -2.798 1.00 0.00 N ATOM 1446 CA MET A 89 2.844 -6.156 -1.868 1.00 0.00 C ATOM 1447 C MET A 89 2.213 -7.328 -2.613 1.00 0.00 C ATOM 1448 O MET A 89 2.656 -8.470 -2.484 1.00 0.00 O ATOM 1449 CB MET A 89 1.855 -5.595 -0.846 1.00 0.00 C ATOM 1450 CG MET A 89 1.538 -6.559 0.286 1.00 0.00 C ATOM 1451 SD MET A 89 0.784 -5.741 1.705 1.00 0.00 S ATOM 1452 CE MET A 89 -0.803 -5.271 1.021 1.00 0.00 C ATOM 0 H MET A 89 3.103 -4.162 -2.462 1.00 0.00 H new ATOM 0 HA MET A 89 3.731 -6.515 -1.345 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.262 -4.675 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.929 -5.330 -1.356 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.866 -7.335 -0.080 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.455 -7.055 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 89 -1.395 -4.768 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.651 -4.596 0.179 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.331 -6.162 0.681 1.00 0.00 H new ATOM 1462 N PHE A 90 1.177 -7.039 -3.393 1.00 0.00 N ATOM 1463 CA PHE A 90 0.484 -8.070 -4.158 1.00 0.00 C ATOM 1464 C PHE A 90 1.391 -8.645 -5.242 1.00 0.00 C ATOM 1465 O PHE A 90 1.510 -9.860 -5.386 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.786 -7.498 -4.790 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.632 -6.712 -3.830 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -2.064 -7.278 -2.642 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.995 -5.405 -4.116 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.843 -6.557 -1.757 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.774 -4.679 -3.235 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.198 -5.255 -2.053 1.00 0.00 C ATOM 0 H PHE A 90 0.798 -6.099 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 90 0.211 -8.873 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.509 -6.857 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.379 -8.316 -5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.789 -8.295 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.665 -4.949 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.174 -7.011 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.051 -3.662 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.805 -4.689 -1.362 1.00 0.00 H new ATOM 1482 N ASN A 91 2.028 -7.760 -6.002 1.00 0.00 N ATOM 1483 CA ASN A 91 2.924 -8.179 -7.074 1.00 0.00 C ATOM 1484 C ASN A 91 3.850 -9.297 -6.604 1.00 0.00 C ATOM 1485 O ASN A 91 4.095 -10.259 -7.330 1.00 0.00 O ATOM 1486 CB ASN A 91 3.752 -6.990 -7.568 1.00 0.00 C ATOM 1487 CG ASN A 91 4.134 -7.120 -9.030 1.00 0.00 C ATOM 1488 OD1 ASN A 91 5.006 -7.913 -9.387 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.481 -6.340 -9.884 1.00 0.00 N ATOM 0 H ASN A 91 1.941 -6.749 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 91 2.315 -8.557 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.185 -6.071 -7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.656 -6.905 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.695 -6.384 -10.880 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.766 -5.697 -9.543 1.00 0.00 H new ATOM 1496 N ASN A 92 4.360 -9.162 -5.385 1.00 0.00 N ATOM 1497 CA ASN A 92 5.259 -10.161 -4.818 1.00 0.00 C ATOM 1498 C ASN A 92 4.542 -11.495 -4.634 1.00 0.00 C ATOM 1499 O ASN A 92 4.967 -12.518 -5.170 1.00 0.00 O ATOM 1500 CB ASN A 92 5.811 -9.677 -3.475 1.00 0.00 C ATOM 1501 CG ASN A 92 6.249 -8.226 -3.520 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.738 -7.744 -4.542 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.074 -7.521 -2.407 1.00 0.00 N ATOM 0 H ASN A 92 4.167 -8.371 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 92 6.086 -10.305 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.048 -9.800 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.657 -10.301 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.349 -6.539 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.665 -7.962 -1.583 1.00 0.00 H new ATOM 1510 N ALA A 93 3.453 -11.476 -3.873 1.00 0.00 N ATOM 1511 CA ALA A 93 2.675 -12.683 -3.621 1.00 0.00 C ATOM 1512 C ALA A 93 2.564 -13.537 -4.880 1.00 0.00 C ATOM 1513 O ALA A 93 2.771 -14.751 -4.839 1.00 0.00 O ATOM 1514 CB ALA A 93 1.292 -12.321 -3.103 1.00 0.00 C ATOM 0 H ALA A 93 3.089 -10.638 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 93 3.193 -13.268 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.722 -13.232 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.387 -11.759 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.774 -11.712 -3.844 1.00 0.00 H new ATOM 1520 N CYS A 94 2.235 -12.897 -5.996 1.00 0.00 N ATOM 1521 CA CYS A 94 2.095 -13.599 -7.267 1.00 0.00 C ATOM 1522 C CYS A 94 3.301 -14.495 -7.530 1.00 0.00 C ATOM 1523 O CYS A 94 3.154 -15.668 -7.873 1.00 0.00 O ATOM 1524 CB CYS A 94 1.930 -12.597 -8.411 1.00 0.00 C ATOM 1525 SG CYS A 94 1.217 -13.305 -9.915 1.00 0.00 S ATOM 0 H CYS A 94 2.060 -11.893 -6.047 1.00 0.00 H new ATOM 0 HA CYS A 94 1.205 -14.226 -7.211 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.297 -11.777 -8.073 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.904 -12.170 -8.649 1.00 0.00 H new ATOM 0 HG CYS A 94 1.115 -12.381 -10.824 1.00 0.00 H new ATOM 1531 N THR A 95 4.495 -13.934 -7.367 1.00 0.00 N ATOM 1532 CA THR A 95 5.727 -14.680 -7.589 1.00 0.00 C ATOM 1533 C THR A 95 6.098 -15.506 -6.363 1.00 0.00 C ATOM 1534 O THR A 95 6.154 -16.735 -6.424 1.00 0.00 O ATOM 1535 CB THR A 95 6.898 -13.742 -7.936 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.587 -12.983 -9.109 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.177 -14.533 -8.162 1.00 0.00 C ATOM 0 H THR A 95 4.635 -12.965 -7.082 1.00 0.00 H new ATOM 0 HA THR A 95 5.545 -15.347 -8.432 1.00 0.00 H new ATOM 0 HB THR A 95 7.053 -13.065 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.336 -12.388 -9.322 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.990 -13.849 -8.406 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.427 -15.086 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.032 -15.232 -8.986 1.00 0.00 H new ATOM 1545 N TYR A 96 6.349 -14.825 -5.251 1.00 0.00 N ATOM 1546 CA TYR A 96 6.716 -15.496 -4.010 1.00 0.00 C ATOM 1547 C TYR A 96 5.796 -16.682 -3.739 1.00 0.00 C ATOM 1548 O TYR A 96 6.252 -17.817 -3.601 1.00 0.00 O ATOM 1549 CB TYR A 96 6.660 -14.514 -2.838 1.00 0.00 C ATOM 1550 CG TYR A 96 7.166 -15.094 -1.537 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.456 -15.600 -1.433 1.00 0.00 C ATOM 1552 CD2 TYR A 96 6.353 -15.136 -0.410 1.00 0.00 C ATOM 1553 CE1 TYR A 96 8.921 -16.132 -0.247 1.00 0.00 C ATOM 1554 CE2 TYR A 96 6.811 -15.665 0.781 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.096 -16.162 0.858 1.00 0.00 C ATOM 1556 OH TYR A 96 8.557 -16.689 2.042 1.00 0.00 O ATOM 0 H TYR A 96 6.305 -13.808 -5.183 1.00 0.00 H new ATOM 0 HA TYR A 96 7.735 -15.867 -4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.249 -13.631 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.631 -14.182 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.106 -15.577 -2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.346 -14.749 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.926 -16.523 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.167 -15.689 1.647 1.00 0.00 H new ATOM 0 HH TYR A 96 7.853 -16.633 2.721 1.00 0.00 H new ATOM 1566 N ASN A 97 4.497 -16.410 -3.664 1.00 0.00 N ATOM 1567 CA ASN A 97 3.511 -17.454 -3.410 1.00 0.00 C ATOM 1568 C ASN A 97 2.991 -18.041 -4.718 1.00 0.00 C ATOM 1569 O ASN A 97 2.821 -17.327 -5.706 1.00 0.00 O ATOM 1570 CB ASN A 97 2.347 -16.896 -2.590 1.00 0.00 C ATOM 1571 CG ASN A 97 2.690 -16.755 -1.119 1.00 0.00 C ATOM 1572 OD1 ASN A 97 2.415 -17.648 -0.318 1.00 0.00 O ATOM 1573 ND2 ASN A 97 3.295 -15.629 -0.758 1.00 0.00 N ATOM 0 H ASN A 97 4.103 -15.476 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 97 3.997 -18.249 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.060 -15.923 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.483 -17.552 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.551 -15.478 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.504 -14.916 -1.456 1.00 0.00 H new ATOM 1580 N GLU A 98 2.739 -19.346 -4.717 1.00 0.00 N ATOM 1581 CA GLU A 98 2.238 -20.029 -5.904 1.00 0.00 C ATOM 1582 C GLU A 98 0.833 -19.548 -6.256 1.00 0.00 C ATOM 1583 O GLU A 98 0.063 -19.120 -5.396 1.00 0.00 O ATOM 1584 CB GLU A 98 2.231 -21.543 -5.684 1.00 0.00 C ATOM 1585 CG GLU A 98 3.601 -22.119 -5.367 1.00 0.00 C ATOM 1586 CD GLU A 98 3.530 -23.545 -4.857 1.00 0.00 C ATOM 1587 OE1 GLU A 98 2.618 -24.284 -5.283 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.388 -23.922 -4.031 1.00 0.00 O ATOM 0 H GLU A 98 2.874 -19.952 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 98 2.903 -19.793 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.549 -21.780 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.840 -22.030 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.220 -22.088 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.090 -21.494 -4.620 1.00 0.00 H new ATOM 1595 N PRO A 99 0.491 -19.618 -7.551 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.821 -19.195 -8.047 1.00 0.00 C ATOM 1597 C PRO A 99 -1.940 -20.130 -7.600 1.00 0.00 C ATOM 1598 O PRO A 99 -3.099 -19.946 -7.968 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.659 -19.245 -9.568 1.00 0.00 C ATOM 1600 CG PRO A 99 0.424 -20.242 -9.801 1.00 0.00 C ATOM 1601 CD PRO A 99 1.360 -20.118 -8.630 1.00 0.00 C ATOM 0 HA PRO A 99 -1.102 -18.213 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.586 -19.547 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.391 -18.268 -9.970 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.017 -21.251 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.943 -20.042 -10.738 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.810 -21.077 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.177 -19.428 -8.840 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.583 -21.134 -6.803 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.558 -22.098 -6.307 1.00 0.00 C ATOM 1611 C GLU A 100 -2.581 -22.111 -4.781 1.00 0.00 C ATOM 1612 O GLU A 100 -2.673 -23.170 -4.160 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.238 -23.498 -6.835 1.00 0.00 C ATOM 1614 CG GLU A 100 -0.867 -24.006 -6.422 1.00 0.00 C ATOM 1615 CD GLU A 100 -0.795 -25.520 -6.380 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -1.589 -26.131 -5.634 1.00 0.00 O ATOM 1617 OE2 GLU A 100 0.054 -26.094 -7.092 1.00 0.00 O ATOM 0 H GLU A 100 -0.627 -21.300 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.543 -21.799 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.997 -24.194 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.300 -23.490 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.119 -23.629 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.616 -23.607 -5.439 1.00 0.00 H new ATOM 1624 N SER A 101 -2.496 -20.927 -4.183 1.00 0.00 N ATOM 1625 CA SER A 101 -2.503 -20.801 -2.731 1.00 0.00 C ATOM 1626 C SER A 101 -3.678 -19.947 -2.265 1.00 0.00 C ATOM 1627 O SER A 101 -4.453 -19.439 -3.077 1.00 0.00 O ATOM 1628 CB SER A 101 -1.188 -20.189 -2.244 1.00 0.00 C ATOM 1629 OG SER A 101 -0.089 -21.025 -2.560 1.00 0.00 O ATOM 0 H SER A 101 -2.421 -20.041 -4.682 1.00 0.00 H new ATOM 0 HA SER A 101 -2.610 -21.799 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.047 -19.210 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.233 -20.034 -1.166 1.00 0.00 H new ATOM 0 HG SER A 101 0.740 -20.611 -2.240 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.805 -19.793 -0.951 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.885 -19.000 -0.375 1.00 0.00 C ATOM 1637 C LEU A 102 -4.494 -17.528 -0.289 1.00 0.00 C ATOM 1638 O LEU A 102 -5.275 -16.647 -0.649 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.244 -19.526 1.016 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.239 -18.685 1.816 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -7.667 -19.099 1.495 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -5.968 -18.812 3.308 1.00 0.00 C ATOM 0 H LEU A 102 -3.174 -20.207 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.755 -19.088 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.653 -20.531 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.326 -19.616 1.596 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.112 -17.640 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.361 -18.490 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.857 -18.955 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.807 -20.150 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.686 -18.206 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.066 -19.855 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.958 -18.465 3.525 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.282 -17.270 0.189 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.786 -15.906 0.319 1.00 0.00 C ATOM 1656 C ILE A 103 -2.624 -15.247 -1.047 1.00 0.00 C ATOM 1657 O ILE A 103 -2.734 -14.028 -1.177 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.437 -15.865 1.059 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.914 -14.428 1.133 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.426 -16.767 0.368 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.270 -14.263 2.059 1.00 0.00 C ATOM 0 H ILE A 103 -2.625 -17.988 0.493 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.526 -15.356 0.900 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.586 -16.230 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.631 -14.101 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.719 -13.773 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.523 -16.727 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.797 -17.792 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.278 -16.429 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.587 -13.220 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.014 -14.559 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.092 -14.891 1.715 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.364 -16.062 -2.063 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.187 -15.559 -3.420 1.00 0.00 C ATOM 1675 C TYR A 104 -3.469 -14.912 -3.934 1.00 0.00 C ATOM 1676 O TYR A 104 -3.567 -13.688 -4.025 1.00 0.00 O ATOM 1677 CB TYR A 104 -1.765 -16.694 -4.356 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.016 -16.398 -5.817 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.421 -15.307 -6.438 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -2.849 -17.210 -6.577 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.648 -15.032 -7.772 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.081 -16.944 -7.913 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.478 -15.854 -8.506 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.707 -15.585 -9.836 1.00 0.00 O ATOM 0 H TYR A 104 -2.271 -17.074 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.403 -14.802 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -0.704 -16.897 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.303 -17.601 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.769 -14.662 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.323 -18.064 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.179 -14.178 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.731 -17.586 -8.490 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.313 -16.260 -10.207 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.451 -15.742 -4.266 1.00 0.00 N ATOM 1695 CA LYS A 105 -5.730 -15.254 -4.769 1.00 0.00 C ATOM 1696 C LYS A 105 -6.346 -14.248 -3.802 1.00 0.00 C ATOM 1697 O LYS A 105 -6.986 -13.283 -4.220 1.00 0.00 O ATOM 1698 CB LYS A 105 -6.694 -16.421 -4.989 1.00 0.00 C ATOM 1699 CG LYS A 105 -6.951 -17.243 -3.738 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.330 -18.674 -4.079 1.00 0.00 C ATOM 1701 CE LYS A 105 -8.834 -18.829 -4.240 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.554 -18.619 -2.953 1.00 0.00 N ATOM 0 H LYS A 105 -4.386 -16.758 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.551 -14.755 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.643 -16.032 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.292 -17.072 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.059 -17.241 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.750 -16.783 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.832 -18.974 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.976 -19.342 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.196 -18.114 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.058 -19.825 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.471 -19.108 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.985 -19.000 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.709 -17.602 -2.804 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.147 -14.478 -2.509 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.681 -13.590 -1.483 1.00 0.00 C ATOM 1718 C ASP A 106 -6.166 -12.167 -1.675 1.00 0.00 C ATOM 1719 O ASP A 106 -6.896 -11.199 -1.464 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.303 -14.099 -0.091 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.422 -13.024 0.971 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -5.687 -12.018 0.882 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -7.251 -13.188 1.890 1.00 0.00 O ATOM 0 H ASP A 106 -5.620 -15.272 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.767 -13.580 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.946 -14.939 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.280 -14.475 -0.110 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.904 -12.049 -2.074 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.292 -10.744 -2.294 1.00 0.00 C ATOM 1730 C ALA A 107 -4.939 -10.027 -3.474 1.00 0.00 C ATOM 1731 O ALA A 107 -5.158 -8.815 -3.433 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.795 -10.895 -2.523 1.00 0.00 C ATOM 0 H ALA A 107 -4.286 -12.841 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.453 -10.139 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.351 -9.913 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.338 -11.359 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.622 -11.521 -3.398 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.243 -10.780 -4.525 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.865 -10.216 -5.717 1.00 0.00 C ATOM 1740 C LEU A 108 -7.127 -9.439 -5.357 1.00 0.00 C ATOM 1741 O LEU A 108 -7.386 -8.366 -5.903 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.203 -11.326 -6.714 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.065 -11.774 -7.631 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.882 -10.789 -8.776 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -3.772 -11.924 -6.843 1.00 0.00 C ATOM 0 H LEU A 108 -5.069 -11.784 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.155 -9.528 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.556 -12.193 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.032 -10.988 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.325 -12.745 -8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.068 -11.125 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.802 -10.732 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.645 -9.804 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.973 -12.244 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.507 -10.967 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.908 -12.669 -6.059 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.909 -9.986 -4.432 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.143 -9.343 -3.995 1.00 0.00 C ATOM 1759 C VAL A 109 -8.871 -7.944 -3.454 1.00 0.00 C ATOM 1760 O VAL A 109 -9.459 -6.963 -3.914 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.855 -10.172 -2.910 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.095 -9.446 -2.411 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.212 -11.551 -3.443 1.00 0.00 C ATOM 0 H VAL A 109 -7.710 -10.873 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.790 -9.272 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.174 -10.298 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.585 -10.047 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.808 -8.483 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.782 -9.287 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.714 -12.124 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.875 -11.449 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.303 -12.071 -3.746 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.978 -7.857 -2.475 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.627 -6.577 -1.871 1.00 0.00 C ATOM 1775 C LEU A 110 -7.159 -5.584 -2.930 1.00 0.00 C ATOM 1776 O LEU A 110 -7.662 -4.463 -3.010 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.533 -6.770 -0.819 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.929 -7.571 0.422 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.693 -8.020 1.185 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.842 -6.748 1.319 1.00 0.00 C ATOM 0 H LEU A 110 -7.484 -8.658 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.519 -6.174 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.686 -7.266 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.188 -5.787 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.473 -8.458 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.995 -8.588 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.076 -8.648 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.120 -7.146 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.114 -7.334 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.323 -5.842 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.744 -6.478 0.770 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.195 -6.005 -3.743 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.661 -5.153 -4.800 1.00 0.00 C ATOM 1794 C HIS A 111 -6.772 -4.335 -5.452 1.00 0.00 C ATOM 1795 O HIS A 111 -6.672 -3.114 -5.569 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.949 -6.000 -5.856 1.00 0.00 C ATOM 1797 CG HIS A 111 -3.983 -5.223 -6.695 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.155 -5.810 -7.628 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.715 -3.897 -6.739 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -2.419 -4.879 -8.209 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -2.740 -3.709 -7.687 1.00 0.00 N ATOM 0 H HIS A 111 -5.768 -6.930 -3.690 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.943 -4.466 -4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.416 -6.811 -5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.695 -6.458 -6.506 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -3.117 -6.808 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.182 -3.129 -6.140 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.681 -5.046 -8.979 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.831 -5.017 -5.876 1.00 0.00 N ATOM 1811 CA LYS A 112 -8.962 -4.355 -6.516 1.00 0.00 C ATOM 1812 C LYS A 112 -9.550 -3.282 -5.606 1.00 0.00 C ATOM 1813 O LYS A 112 -9.742 -2.139 -6.021 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.040 -5.379 -6.879 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.306 -4.756 -7.442 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.491 -5.699 -7.326 1.00 0.00 C ATOM 1817 CE LYS A 112 -13.725 -5.130 -8.009 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.556 -5.053 -9.486 1.00 0.00 N ATOM 0 H LYS A 112 -7.930 -6.028 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.603 -3.876 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.633 -6.079 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.294 -5.957 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.524 -3.830 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.149 -4.494 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.237 -6.660 -7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.709 -5.884 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.589 -5.752 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.932 -4.135 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.481 -4.890 -9.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.915 -4.269 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.155 -5.946 -9.837 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.833 -3.657 -4.362 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.397 -2.726 -3.393 1.00 0.00 C ATOM 1834 C VAL A 113 -9.616 -1.417 -3.369 1.00 0.00 C ATOM 1835 O VAL A 113 -10.201 -0.332 -3.371 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.408 -3.330 -1.976 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -10.916 -2.312 -0.965 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.253 -4.594 -1.942 1.00 0.00 C ATOM 0 H VAL A 113 -9.681 -4.599 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.423 -2.528 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.386 -3.596 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.917 -2.757 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.266 -1.437 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.930 -2.012 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.249 -5.007 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.276 -4.356 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.840 -5.327 -2.635 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.292 -1.524 -3.348 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.430 -0.348 -3.325 1.00 0.00 C ATOM 1850 C LEU A 114 -7.657 0.518 -4.559 1.00 0.00 C ATOM 1851 O LEU A 114 -7.494 1.738 -4.513 1.00 0.00 O ATOM 1852 CB LEU A 114 -5.961 -0.770 -3.247 1.00 0.00 C ATOM 1853 CG LEU A 114 -4.932 0.335 -3.486 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.080 1.436 -2.448 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.521 -0.236 -3.462 1.00 0.00 C ATOM 0 H LEU A 114 -7.792 -2.413 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.681 0.239 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.779 -1.201 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.792 -1.561 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.112 0.766 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.339 2.214 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.080 1.865 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.927 1.020 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.802 0.565 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.330 -0.693 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.420 -0.989 -4.244 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.035 -0.120 -5.661 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.288 0.593 -6.909 1.00 0.00 C ATOM 1869 C LEU A 115 -9.652 1.275 -6.880 1.00 0.00 C ATOM 1870 O LEU A 115 -9.743 2.501 -6.902 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.212 -0.371 -8.094 1.00 0.00 C ATOM 1872 CG LEU A 115 -6.868 -1.069 -8.307 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.012 -2.215 -9.296 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -5.821 -0.075 -8.789 1.00 0.00 C ATOM 0 H LEU A 115 -8.173 -1.129 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.522 1.360 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.979 -1.135 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.460 0.180 -9.001 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.539 -1.479 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.045 -2.699 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.729 -2.940 -8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.365 -1.828 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.871 -0.589 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.144 0.365 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.697 0.712 -8.045 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.709 0.470 -6.829 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.068 0.997 -6.796 1.00 0.00 C ATOM 1888 C GLU A 116 -12.140 2.265 -5.950 1.00 0.00 C ATOM 1889 O GLU A 116 -12.678 3.285 -6.382 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.033 -0.054 -6.243 1.00 0.00 C ATOM 1891 CG GLU A 116 -12.469 -0.841 -5.072 1.00 0.00 C ATOM 1892 CD GLU A 116 -12.837 -0.235 -3.731 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -13.502 0.822 -3.719 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -12.460 -0.819 -2.693 1.00 0.00 O ATOM 0 H GLU A 116 -10.650 -0.548 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.359 1.245 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.953 0.439 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.299 -0.747 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.837 -1.866 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.384 -0.888 -5.160 1.00 0.00 H new ATOM 1901 N THR A 117 -11.593 2.193 -4.740 1.00 0.00 N ATOM 1902 CA THR A 117 -11.596 3.333 -3.831 1.00 0.00 C ATOM 1903 C THR A 117 -11.262 4.625 -4.569 1.00 0.00 C ATOM 1904 O THR A 117 -11.939 5.639 -4.400 1.00 0.00 O ATOM 1905 CB THR A 117 -10.590 3.137 -2.681 1.00 0.00 C ATOM 1906 OG1 THR A 117 -9.437 2.431 -3.154 1.00 0.00 O ATOM 1907 CG2 THR A 117 -11.225 2.369 -1.532 1.00 0.00 C ATOM 0 H THR A 117 -11.142 1.357 -4.367 1.00 0.00 H new ATOM 0 HA THR A 117 -12.601 3.404 -3.416 1.00 0.00 H new ATOM 0 HB THR A 117 -10.290 4.120 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.022 2.935 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.496 2.243 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.085 2.923 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.550 1.390 -1.884 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.216 4.580 -5.387 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.792 5.748 -6.150 1.00 0.00 C ATOM 1917 C ARG A 118 -10.998 6.500 -6.706 1.00 0.00 C ATOM 1918 O ARG A 118 -11.565 6.115 -7.729 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.867 5.328 -7.294 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.540 4.755 -6.825 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.451 4.946 -7.869 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.455 3.878 -8.866 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.843 3.969 -10.041 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.182 5.071 -10.366 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -5.891 2.954 -10.895 1.00 0.00 N ATOM 0 H ARG A 118 -9.646 3.748 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.249 6.413 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.377 4.586 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.675 6.192 -7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.242 5.238 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.657 3.693 -6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.590 5.906 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.479 4.979 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.955 3.016 -8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.142 5.853 -9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.713 5.137 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.398 2.104 -10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.421 3.024 -11.797 1.00 0.00 H new