USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 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 Single : A 6 GLN :FLIP amide:sc= -0.0382 F(o=-0.81,f=-0.038) USER MOD Single : A 13 CYS SG : rot 170:sc= -1.98 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 16 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.28) USER MOD Single : A 17 THR OG1 : rot 79:sc= -0.139 USER MOD Single : A 20 TYR OH : rot 9:sc= 0.843 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 20:sc= 0.984 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 87:sc= -0.997 USER MOD Single : A 39 CYS SG : rot 170:sc= -0.941 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.753 F(o=-1.3,f=-0.75) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 97:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.4) USER MOD Single : A 78 THR OG1 : rot 91:sc= 0.0223 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00167 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 71:sc= 0.00828 USER MOD Single : A 101 HIS : no HD1:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 103 HIS : no HD1:sc= -4 K(o=-4,f=-4.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc=-0.00575 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.382 0.041 -2.302 1.00 0.00 N ATOM 202 CA GLN A 6 -0.311 1.314 -2.477 1.00 0.00 C ATOM 203 C GLN A 6 -0.867 1.446 -3.893 1.00 0.00 C ATOM 204 O GLN A 6 -1.912 2.060 -4.106 1.00 0.00 O ATOM 205 CB GLN A 6 0.636 2.478 -2.180 1.00 0.00 C ATOM 206 CG GLN A 6 0.729 2.827 -0.704 1.00 0.00 C ATOM 207 CD GLN A 6 1.345 4.190 -0.466 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.503 5.214 -0.382 1.00 0.00 O flip ATOM 209 NE2 GLN A 6 2.564 4.324 -0.359 1.00 0.00 N flip ATOM 0 HA GLN A 6 -1.145 1.342 -1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.631 2.229 -2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.302 3.357 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.268 2.801 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.323 2.070 -0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.175 3.510 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.963 5.249 -0.199 1.00 0.00 H new ATOM 218 N GLU A 7 -0.157 0.871 -4.858 1.00 0.00 N ATOM 219 CA GLU A 7 -0.573 0.930 -6.254 1.00 0.00 C ATOM 220 C GLU A 7 -1.908 0.222 -6.464 1.00 0.00 C ATOM 221 O GLU A 7 -2.805 0.752 -7.121 1.00 0.00 O ATOM 222 CB GLU A 7 0.495 0.305 -7.152 1.00 0.00 C ATOM 223 CG GLU A 7 0.341 0.664 -8.622 1.00 0.00 C ATOM 224 CD GLU A 7 0.557 -0.524 -9.537 1.00 0.00 C ATOM 225 OE1 GLU A 7 -0.270 -1.460 -9.501 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.552 -0.519 -10.293 1.00 0.00 O ATOM 0 H GLU A 7 0.710 0.358 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.698 1.979 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.479 0.626 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.458 -0.779 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.656 1.071 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.053 1.449 -8.877 1.00 0.00 H new ATOM 233 N GLU A 8 -2.033 -0.979 -5.910 1.00 0.00 N ATOM 234 CA GLU A 8 -3.261 -1.756 -6.047 1.00 0.00 C ATOM 235 C GLU A 8 -4.439 -1.046 -5.386 1.00 0.00 C ATOM 236 O GLU A 8 -5.581 -1.172 -5.832 1.00 0.00 O ATOM 237 CB GLU A 8 -3.080 -3.157 -5.451 1.00 0.00 C ATOM 238 CG GLU A 8 -2.933 -3.172 -3.937 1.00 0.00 C ATOM 239 CD GLU A 8 -3.765 -4.259 -3.282 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.364 -5.439 -3.357 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.818 -3.929 -2.696 1.00 0.00 O ATOM 0 H GLU A 8 -1.302 -1.435 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.479 -1.853 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.936 -3.772 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.198 -3.619 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.884 -3.317 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.229 -2.202 -3.537 1.00 0.00 H new ATOM 248 N LEU A 9 -4.158 -0.299 -4.322 1.00 0.00 N ATOM 249 CA LEU A 9 -5.198 0.427 -3.604 1.00 0.00 C ATOM 250 C LEU A 9 -5.765 1.555 -4.461 1.00 0.00 C ATOM 251 O LEU A 9 -6.979 1.748 -4.530 1.00 0.00 O ATOM 252 CB LEU A 9 -4.645 0.994 -2.296 1.00 0.00 C ATOM 253 CG LEU A 9 -4.378 -0.042 -1.202 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.811 0.627 0.040 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.652 -0.800 -0.867 1.00 0.00 C ATOM 0 H LEU A 9 -3.220 -0.181 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.002 -0.273 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.715 1.521 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.349 1.732 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.641 -0.754 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.628 -0.125 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.875 1.125 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.524 1.361 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.445 -1.533 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.410 -0.100 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.016 -1.311 -1.758 1.00 0.00 H new ATOM 267 N LEU A 10 -4.876 2.298 -5.113 1.00 0.00 N ATOM 268 CA LEU A 10 -5.288 3.408 -5.966 1.00 0.00 C ATOM 269 C LEU A 10 -6.120 2.909 -7.144 1.00 0.00 C ATOM 270 O LEU A 10 -7.048 3.585 -7.590 1.00 0.00 O ATOM 271 CB LEU A 10 -4.062 4.166 -6.477 1.00 0.00 C ATOM 272 CG LEU A 10 -3.553 5.272 -5.552 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.461 4.741 -4.635 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.041 6.454 -6.363 1.00 0.00 C ATOM 0 H LEU A 10 -3.868 2.152 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.903 4.083 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.255 3.452 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.303 4.605 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.384 5.613 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.111 5.542 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.859 3.928 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.629 4.372 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.683 7.231 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.224 6.127 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.849 6.851 -6.977 1.00 0.00 H new ATOM 286 N ARG A 11 -5.781 1.725 -7.642 1.00 0.00 N ATOM 287 CA ARG A 11 -6.498 1.137 -8.768 1.00 0.00 C ATOM 288 C ARG A 11 -7.939 0.814 -8.385 1.00 0.00 C ATOM 289 O ARG A 11 -8.870 1.092 -9.141 1.00 0.00 O ATOM 290 CB ARG A 11 -5.787 -0.130 -9.247 1.00 0.00 C ATOM 291 CG ARG A 11 -4.327 0.091 -9.609 1.00 0.00 C ATOM 292 CD ARG A 11 -4.159 0.382 -11.091 1.00 0.00 C ATOM 293 NE ARG A 11 -4.042 1.815 -11.358 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.538 2.322 -12.482 1.00 0.00 C ATOM 295 NH1 ARG A 11 -3.106 1.517 -13.446 1.00 0.00 N ATOM 296 NH2 ARG A 11 -3.469 3.636 -12.643 1.00 0.00 N ATOM 0 H ARG A 11 -5.015 1.154 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.511 1.865 -9.579 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.848 -0.888 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.312 -0.525 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.928 0.922 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.747 -0.793 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.271 -0.130 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.011 -0.020 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.365 2.465 -10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.159 0.505 -13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.721 1.910 -14.305 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.802 4.258 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.083 4.025 -13.503 1.00 0.00 H new ATOM 310 N TRP A 12 -8.115 0.229 -7.205 1.00 0.00 N ATOM 311 CA TRP A 12 -9.442 -0.130 -6.719 1.00 0.00 C ATOM 312 C TRP A 12 -10.265 1.120 -6.422 1.00 0.00 C ATOM 313 O TRP A 12 -11.459 1.175 -6.714 1.00 0.00 O ATOM 314 CB TRP A 12 -9.334 -0.993 -5.462 1.00 0.00 C ATOM 315 CG TRP A 12 -10.659 -1.463 -4.946 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.278 -2.646 -5.232 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.532 -0.759 -4.054 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.482 -2.720 -4.572 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.659 -1.574 -3.843 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.468 0.482 -3.413 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.713 -1.188 -3.018 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.515 0.864 -2.596 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.624 0.031 -2.403 1.00 0.00 C ATOM 0 H TRP A 12 -7.355 -0.007 -6.567 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.945 -0.701 -7.499 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.709 -1.859 -5.678 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.830 -0.423 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.880 -3.412 -5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.137 -3.501 -4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.616 1.130 -3.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.570 -1.828 -2.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.477 1.821 -2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.425 0.357 -1.756 1.00 0.00 H new ATOM 334 N CYS A 13 -9.614 2.123 -5.840 1.00 0.00 N ATOM 335 CA CYS A 13 -10.282 3.375 -5.503 1.00 0.00 C ATOM 336 C CYS A 13 -10.721 4.113 -6.764 1.00 0.00 C ATOM 337 O CYS A 13 -11.841 4.618 -6.841 1.00 0.00 O ATOM 338 CB CYS A 13 -9.355 4.265 -4.674 1.00 0.00 C ATOM 339 SG CYS A 13 -10.203 5.226 -3.400 1.00 0.00 S ATOM 0 H CYS A 13 -8.625 2.093 -5.592 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.168 3.138 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.598 3.641 -4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.832 4.949 -5.342 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.325 5.779 -2.617 1.00 0.00 H new ATOM 345 N GLN A 14 -9.831 4.173 -7.749 1.00 0.00 N ATOM 346 CA GLN A 14 -10.127 4.852 -9.004 1.00 0.00 C ATOM 347 C GLN A 14 -11.317 4.206 -9.707 1.00 0.00 C ATOM 348 O GLN A 14 -12.178 4.897 -10.251 1.00 0.00 O ATOM 349 CB GLN A 14 -8.903 4.827 -9.922 1.00 0.00 C ATOM 350 CG GLN A 14 -9.035 5.733 -11.136 1.00 0.00 C ATOM 351 CD GLN A 14 -8.569 5.064 -12.415 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.471 4.512 -12.477 1.00 0.00 O ATOM 353 NE2 GLN A 14 -9.404 5.113 -13.447 1.00 0.00 N ATOM 0 H GLN A 14 -8.900 3.760 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.382 5.887 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.024 5.125 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.732 3.804 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.076 6.036 -11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.454 6.641 -10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.305 5.581 -13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.144 4.682 -14.334 1.00 0.00 H new ATOM 362 N GLU A 15 -11.361 2.878 -9.689 1.00 0.00 N ATOM 363 CA GLU A 15 -12.450 2.144 -10.324 1.00 0.00 C ATOM 364 C GLU A 15 -13.767 2.407 -9.602 1.00 0.00 C ATOM 365 O GLU A 15 -14.793 2.661 -10.234 1.00 0.00 O ATOM 366 CB GLU A 15 -12.143 0.643 -10.331 1.00 0.00 C ATOM 367 CG GLU A 15 -11.828 0.095 -11.713 1.00 0.00 C ATOM 368 CD GLU A 15 -13.073 -0.132 -12.547 1.00 0.00 C ATOM 369 OE1 GLU A 15 -14.034 -0.738 -12.027 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.088 0.297 -13.719 1.00 0.00 O ATOM 0 H GLU A 15 -10.658 2.289 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.545 2.490 -11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.297 0.450 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.997 0.104 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.168 0.789 -12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.286 -0.845 -11.612 1.00 0.00 H new ATOM 377 N GLN A 16 -13.730 2.347 -8.276 1.00 0.00 N ATOM 378 CA GLN A 16 -14.920 2.579 -7.464 1.00 0.00 C ATOM 379 C GLN A 16 -15.376 4.030 -7.571 1.00 0.00 C ATOM 380 O GLN A 16 -16.567 4.325 -7.488 1.00 0.00 O ATOM 381 CB GLN A 16 -14.643 2.225 -6.003 1.00 0.00 C ATOM 382 CG GLN A 16 -14.722 0.735 -5.712 1.00 0.00 C ATOM 383 CD GLN A 16 -16.069 0.142 -6.070 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.152 -0.839 -6.811 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.136 0.736 -5.548 1.00 0.00 N ATOM 0 H GLN A 16 -12.888 2.139 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.717 1.938 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.651 2.588 -5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.358 2.749 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.942 0.218 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.524 0.564 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.022 1.546 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.070 0.382 -5.756 1.00 0.00 H new ATOM 394 N THR A 17 -14.417 4.934 -7.754 1.00 0.00 N ATOM 395 CA THR A 17 -14.719 6.356 -7.874 1.00 0.00 C ATOM 396 C THR A 17 -15.019 6.743 -9.322 1.00 0.00 C ATOM 397 O THR A 17 -15.164 7.922 -9.639 1.00 0.00 O ATOM 398 CB THR A 17 -13.551 7.189 -7.346 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.226 6.813 -6.020 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.828 8.677 -7.344 1.00 0.00 C ATOM 0 H THR A 17 -13.425 4.706 -7.822 1.00 0.00 H new ATOM 0 HA THR A 17 -15.608 6.559 -7.277 1.00 0.00 H new ATOM 0 HB THR A 17 -12.725 6.990 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.692 5.991 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.958 9.208 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.034 9.010 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.691 8.886 -6.712 1.00 0.00 H new ATOM 408 N ALA A 18 -15.112 5.745 -10.199 1.00 0.00 N ATOM 409 CA ALA A 18 -15.395 5.992 -11.607 1.00 0.00 C ATOM 410 C ALA A 18 -16.876 6.280 -11.826 1.00 0.00 C ATOM 411 O ALA A 18 -17.737 5.493 -11.432 1.00 0.00 O ATOM 412 CB ALA A 18 -14.957 4.805 -12.450 1.00 0.00 C ATOM 0 H ALA A 18 -14.995 4.761 -9.958 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.830 6.871 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.175 5.004 -13.499 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.886 4.646 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.496 3.913 -12.130 1.00 0.00 H new ATOM 418 N GLY A 19 -17.166 7.415 -12.453 1.00 0.00 N ATOM 419 CA GLY A 19 -18.545 7.789 -12.711 1.00 0.00 C ATOM 420 C GLY A 19 -18.742 9.292 -12.737 1.00 0.00 C ATOM 421 O GLY A 19 -19.636 9.796 -13.416 1.00 0.00 O ATOM 0 H GLY A 19 -16.471 8.083 -12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.860 7.368 -13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.186 7.355 -11.944 1.00 0.00 H new ATOM 425 N TYR A 20 -17.903 10.009 -11.996 1.00 0.00 N ATOM 426 CA TYR A 20 -17.989 11.464 -11.940 1.00 0.00 C ATOM 427 C TYR A 20 -17.144 12.099 -13.045 1.00 0.00 C ATOM 428 O TYR A 20 -15.936 11.869 -13.118 1.00 0.00 O ATOM 429 CB TYR A 20 -17.520 11.966 -10.571 1.00 0.00 C ATOM 430 CG TYR A 20 -18.177 11.259 -9.407 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.741 10.006 -8.994 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.233 11.843 -8.719 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.339 9.356 -7.930 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.835 11.200 -7.655 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.386 9.957 -7.264 1.00 0.00 C ATOM 436 OH TYR A 20 -19.983 9.314 -6.206 1.00 0.00 O ATOM 0 H TYR A 20 -17.158 9.607 -11.427 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.029 11.753 -12.090 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.440 11.840 -10.498 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.722 13.035 -10.497 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.921 9.532 -9.513 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.590 12.817 -9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.988 8.382 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.655 11.670 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.457 8.523 -5.965 1.00 0.00 H new ATOM 446 N PRO A 21 -17.766 12.902 -13.931 1.00 0.00 N ATOM 447 CA PRO A 21 -17.056 13.558 -15.038 1.00 0.00 C ATOM 448 C PRO A 21 -16.040 14.592 -14.554 1.00 0.00 C ATOM 449 O PRO A 21 -16.214 15.793 -14.762 1.00 0.00 O ATOM 450 CB PRO A 21 -18.175 14.245 -15.839 1.00 0.00 C ATOM 451 CG PRO A 21 -19.444 13.626 -15.362 1.00 0.00 C ATOM 452 CD PRO A 21 -19.200 13.227 -13.937 1.00 0.00 C ATOM 0 HA PRO A 21 -16.477 12.841 -15.620 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.175 15.322 -15.669 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.042 14.092 -16.910 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.273 14.331 -15.433 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -19.708 12.761 -15.970 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.434 14.036 -13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.810 12.372 -13.646 1.00 0.00 H new ATOM 460 N GLY A 22 -14.973 14.121 -13.914 1.00 0.00 N ATOM 461 CA GLY A 22 -13.950 15.027 -13.424 1.00 0.00 C ATOM 462 C GLY A 22 -13.175 14.465 -12.247 1.00 0.00 C ATOM 463 O GLY A 22 -12.017 14.823 -12.034 1.00 0.00 O ATOM 0 H GLY A 22 -14.799 13.133 -13.727 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.256 15.255 -14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.416 15.967 -13.129 1.00 0.00 H new ATOM 467 N VAL A 23 -13.813 13.588 -11.479 1.00 0.00 N ATOM 468 CA VAL A 23 -13.168 12.986 -10.317 1.00 0.00 C ATOM 469 C VAL A 23 -12.220 11.866 -10.726 1.00 0.00 C ATOM 470 O VAL A 23 -12.624 10.898 -11.371 1.00 0.00 O ATOM 471 CB VAL A 23 -14.203 12.428 -9.323 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.525 11.998 -8.032 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.289 13.457 -9.047 1.00 0.00 C ATOM 0 H VAL A 23 -14.772 13.279 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.599 13.779 -9.832 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.672 11.551 -9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.272 11.606 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.789 11.223 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.027 12.856 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.011 13.044 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.840 14.355 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.795 13.710 -9.978 1.00 0.00 H new ATOM 483 N HIS A 24 -10.956 12.002 -10.339 1.00 0.00 N ATOM 484 CA HIS A 24 -9.943 11.001 -10.656 1.00 0.00 C ATOM 485 C HIS A 24 -9.128 10.656 -9.414 1.00 0.00 C ATOM 486 O HIS A 24 -8.444 11.513 -8.851 1.00 0.00 O ATOM 487 CB HIS A 24 -9.023 11.508 -11.770 1.00 0.00 C ATOM 488 CG HIS A 24 -9.016 10.631 -12.983 1.00 0.00 C ATOM 489 ND1 HIS A 24 -9.944 10.743 -13.997 1.00 0.00 N ATOM 490 CD2 HIS A 24 -8.187 9.624 -13.343 1.00 0.00 C ATOM 491 CE1 HIS A 24 -9.686 9.840 -14.928 1.00 0.00 C ATOM 492 NE2 HIS A 24 -8.625 9.150 -14.555 1.00 0.00 N ATOM 0 H HIS A 24 -10.608 12.798 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.446 10.098 -11.003 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.334 12.512 -12.059 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.007 11.588 -11.383 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.339 9.261 -12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.248 9.692 -15.838 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.199 8.388 -15.082 1.00 0.00 H new ATOM 501 N VAL A 25 -9.210 9.402 -8.986 1.00 0.00 N ATOM 502 CA VAL A 25 -8.483 8.951 -7.805 1.00 0.00 C ATOM 503 C VAL A 25 -7.170 8.277 -8.179 1.00 0.00 C ATOM 504 O VAL A 25 -7.113 7.058 -8.349 1.00 0.00 O ATOM 505 CB VAL A 25 -9.326 7.972 -6.966 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.647 7.687 -5.636 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.728 8.521 -6.750 1.00 0.00 C ATOM 0 H VAL A 25 -9.771 8.680 -9.438 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.271 9.842 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.410 7.033 -7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.257 6.994 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.667 7.245 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.530 8.618 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.308 7.815 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.669 9.474 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.214 8.668 -7.715 1.00 0.00 H new ATOM 517 N SER A 26 -6.112 9.072 -8.297 1.00 0.00 N ATOM 518 CA SER A 26 -4.793 8.550 -8.640 1.00 0.00 C ATOM 519 C SER A 26 -3.692 9.350 -7.949 1.00 0.00 C ATOM 520 O SER A 26 -2.530 9.305 -8.355 1.00 0.00 O ATOM 521 CB SER A 26 -4.588 8.574 -10.156 1.00 0.00 C ATOM 522 OG SER A 26 -3.832 7.455 -10.587 1.00 0.00 O ATOM 0 H SER A 26 -6.142 10.082 -8.160 1.00 0.00 H new ATOM 0 HA SER A 26 -4.737 7.519 -8.292 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.556 8.577 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.078 9.494 -10.442 1.00 0.00 H new ATOM 0 HG SER A 26 -3.716 7.493 -11.559 1.00 0.00 H new ATOM 528 N ASP A 27 -4.065 10.076 -6.900 1.00 0.00 N ATOM 529 CA ASP A 27 -3.114 10.881 -6.142 1.00 0.00 C ATOM 530 C ASP A 27 -3.379 10.755 -4.646 1.00 0.00 C ATOM 531 O ASP A 27 -4.530 10.714 -4.214 1.00 0.00 O ATOM 532 CB ASP A 27 -3.197 12.348 -6.567 1.00 0.00 C ATOM 533 CG ASP A 27 -3.213 12.516 -8.075 1.00 0.00 C ATOM 534 OD1 ASP A 27 -2.190 12.197 -8.718 1.00 0.00 O ATOM 535 OD2 ASP A 27 -4.247 12.966 -8.612 1.00 0.00 O ATOM 0 H ASP A 27 -5.024 10.123 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.110 10.511 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.097 12.795 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.348 12.891 -6.153 1.00 0.00 H new ATOM 540 N LEU A 28 -2.311 10.689 -3.860 1.00 0.00 N ATOM 541 CA LEU A 28 -2.440 10.564 -2.412 1.00 0.00 C ATOM 542 C LEU A 28 -2.343 11.928 -1.733 1.00 0.00 C ATOM 543 O LEU A 28 -1.772 12.053 -0.650 1.00 0.00 O ATOM 544 CB LEU A 28 -1.364 9.620 -1.866 1.00 0.00 C ATOM 545 CG LEU A 28 -1.892 8.303 -1.291 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.742 7.180 -2.306 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.168 7.957 0.002 1.00 0.00 C ATOM 0 H LEU A 28 -1.349 10.720 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.423 10.147 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.660 9.393 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.805 10.141 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.952 8.425 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.122 6.251 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.307 7.425 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.689 7.058 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.556 7.018 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.101 7.854 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.328 8.751 0.732 1.00 0.00 H new ATOM 559 N SER A 29 -2.906 12.949 -2.372 1.00 0.00 N ATOM 560 CA SER A 29 -2.879 14.298 -1.820 1.00 0.00 C ATOM 561 C SER A 29 -3.971 15.174 -2.432 1.00 0.00 C ATOM 562 O SER A 29 -5.012 15.404 -1.816 1.00 0.00 O ATOM 563 CB SER A 29 -1.507 14.936 -2.049 1.00 0.00 C ATOM 564 OG SER A 29 -0.548 14.430 -1.137 1.00 0.00 O ATOM 0 H SER A 29 -3.385 12.868 -3.269 1.00 0.00 H new ATOM 0 HA SER A 29 -3.067 14.223 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.179 14.743 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.583 16.018 -1.938 1.00 0.00 H new ATOM 0 HG SER A 29 -0.863 13.577 -0.771 1.00 0.00 H new ATOM 570 N SER A 30 -3.722 15.667 -3.642 1.00 0.00 N ATOM 571 CA SER A 30 -4.680 16.526 -4.331 1.00 0.00 C ATOM 572 C SER A 30 -6.011 15.811 -4.551 1.00 0.00 C ATOM 573 O SER A 30 -7.077 16.411 -4.421 1.00 0.00 O ATOM 574 CB SER A 30 -4.108 16.983 -5.675 1.00 0.00 C ATOM 575 OG SER A 30 -3.209 18.065 -5.504 1.00 0.00 O ATOM 0 H SER A 30 -2.865 15.486 -4.165 1.00 0.00 H new ATOM 0 HA SER A 30 -4.862 17.396 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.594 16.151 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.921 17.282 -6.337 1.00 0.00 H new ATOM 0 HG SER A 30 -2.856 18.338 -6.376 1.00 0.00 H new ATOM 581 N SER A 31 -5.940 14.529 -4.893 1.00 0.00 N ATOM 582 CA SER A 31 -7.140 13.733 -5.140 1.00 0.00 C ATOM 583 C SER A 31 -8.121 13.827 -3.973 1.00 0.00 C ATOM 584 O SER A 31 -9.333 13.715 -4.160 1.00 0.00 O ATOM 585 CB SER A 31 -6.767 12.272 -5.385 1.00 0.00 C ATOM 586 OG SER A 31 -7.886 11.530 -5.839 1.00 0.00 O ATOM 0 H SER A 31 -5.065 14.018 -5.006 1.00 0.00 H new ATOM 0 HA SER A 31 -7.627 14.135 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.966 12.216 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.384 11.832 -4.464 1.00 0.00 H new ATOM 0 HG SER A 31 -7.955 11.606 -6.814 1.00 0.00 H new ATOM 592 N TRP A 32 -7.591 14.026 -2.770 1.00 0.00 N ATOM 593 CA TRP A 32 -8.426 14.127 -1.578 1.00 0.00 C ATOM 594 C TRP A 32 -8.439 15.550 -1.020 1.00 0.00 C ATOM 595 O TRP A 32 -8.903 15.782 0.095 1.00 0.00 O ATOM 596 CB TRP A 32 -7.932 13.153 -0.507 1.00 0.00 C ATOM 597 CG TRP A 32 -7.663 11.777 -1.034 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.656 11.404 -1.876 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.413 10.590 -0.754 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.733 10.057 -2.139 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.803 9.535 -1.460 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.540 10.314 0.025 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.283 8.228 -1.410 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.016 9.018 0.074 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.388 7.989 -0.640 1.00 0.00 C ATOM 0 H TRP A 32 -6.591 14.120 -2.595 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.446 13.868 -1.863 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.020 13.548 -0.060 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.675 13.091 0.288 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.907 12.071 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.098 9.532 -2.741 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.030 11.101 0.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.800 7.433 -1.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.887 8.794 0.673 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.785 6.986 -0.581 1.00 0.00 H new ATOM 616 N ALA A 33 -7.928 16.502 -1.800 1.00 0.00 N ATOM 617 CA ALA A 33 -7.889 17.896 -1.372 1.00 0.00 C ATOM 618 C ALA A 33 -9.283 18.406 -1.022 1.00 0.00 C ATOM 619 O ALA A 33 -9.522 18.869 0.093 1.00 0.00 O ATOM 620 CB ALA A 33 -7.264 18.762 -2.454 1.00 0.00 C ATOM 0 H ALA A 33 -7.537 16.333 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.275 17.956 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.241 19.800 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.247 18.421 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.855 18.686 -3.367 1.00 0.00 H new ATOM 626 N ASP A 34 -10.199 18.318 -1.981 1.00 0.00 N ATOM 627 CA ASP A 34 -11.571 18.772 -1.768 1.00 0.00 C ATOM 628 C ASP A 34 -12.448 17.651 -1.211 1.00 0.00 C ATOM 629 O ASP A 34 -13.667 17.798 -1.117 1.00 0.00 O ATOM 630 CB ASP A 34 -12.164 19.296 -3.079 1.00 0.00 C ATOM 631 CG ASP A 34 -11.993 18.318 -4.224 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.761 17.121 -3.953 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.090 18.749 -5.393 1.00 0.00 O ATOM 0 H ASP A 34 -10.018 17.938 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.546 19.579 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.225 19.503 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.687 20.241 -3.338 1.00 0.00 H new ATOM 638 N GLY A 35 -11.827 16.531 -0.840 1.00 0.00 N ATOM 639 CA GLY A 35 -12.577 15.413 -0.297 1.00 0.00 C ATOM 640 C GLY A 35 -13.530 14.804 -1.307 1.00 0.00 C ATOM 641 O GLY A 35 -14.606 14.331 -0.947 1.00 0.00 O ATOM 0 H GLY A 35 -10.820 16.380 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.882 14.648 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.141 15.747 0.574 1.00 0.00 H new ATOM 645 N LEU A 36 -13.133 14.820 -2.575 1.00 0.00 N ATOM 646 CA LEU A 36 -13.961 14.267 -3.641 1.00 0.00 C ATOM 647 C LEU A 36 -13.933 12.739 -3.624 1.00 0.00 C ATOM 648 O LEU A 36 -14.938 12.087 -3.910 1.00 0.00 O ATOM 649 CB LEU A 36 -13.485 14.784 -5.003 1.00 0.00 C ATOM 650 CG LEU A 36 -14.389 15.838 -5.646 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.704 15.212 -6.089 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.640 16.988 -4.681 1.00 0.00 C ATOM 0 H LEU A 36 -12.244 15.209 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.988 14.592 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.487 15.206 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.396 13.938 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.884 16.235 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.335 15.975 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.505 14.424 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.214 14.787 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.285 17.727 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.124 16.609 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.691 17.452 -4.414 1.00 0.00 H new ATOM 664 N ALA A 37 -12.777 12.175 -3.290 1.00 0.00 N ATOM 665 CA ALA A 37 -12.621 10.725 -3.243 1.00 0.00 C ATOM 666 C ALA A 37 -13.505 10.110 -2.161 1.00 0.00 C ATOM 667 O ALA A 37 -14.200 9.124 -2.404 1.00 0.00 O ATOM 668 CB ALA A 37 -11.162 10.362 -3.007 1.00 0.00 C ATOM 0 H ALA A 37 -11.936 12.698 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.936 10.318 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.058 9.278 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.552 10.761 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.830 10.788 -2.060 1.00 0.00 H new ATOM 674 N LEU A 38 -13.473 10.698 -0.970 1.00 0.00 N ATOM 675 CA LEU A 38 -14.273 10.204 0.145 1.00 0.00 C ATOM 676 C LEU A 38 -15.763 10.365 -0.141 1.00 0.00 C ATOM 677 O LEU A 38 -16.551 9.444 0.080 1.00 0.00 O ATOM 678 CB LEU A 38 -13.902 10.943 1.434 1.00 0.00 C ATOM 679 CG LEU A 38 -13.680 10.047 2.654 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.241 9.556 2.700 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.031 10.793 3.933 1.00 0.00 C ATOM 0 H LEU A 38 -12.903 11.515 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.060 9.142 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.994 11.519 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.692 11.657 1.666 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.336 9.181 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.101 8.920 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.022 8.985 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.567 10.410 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.867 10.141 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.400 11.677 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.078 11.096 3.902 1.00 0.00 H new ATOM 693 N CYS A 39 -16.141 11.538 -0.634 1.00 0.00 N ATOM 694 CA CYS A 39 -17.535 11.821 -0.952 1.00 0.00 C ATOM 695 C CYS A 39 -18.005 10.973 -2.132 1.00 0.00 C ATOM 696 O CYS A 39 -19.139 10.494 -2.150 1.00 0.00 O ATOM 697 CB CYS A 39 -17.718 13.308 -1.266 1.00 0.00 C ATOM 698 SG CYS A 39 -18.974 14.125 -0.256 1.00 0.00 S ATOM 0 H CYS A 39 -15.501 12.309 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.141 11.567 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.765 13.818 -1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -17.985 13.416 -2.317 1.00 0.00 H new ATOM 0 HG CYS A 39 -18.909 15.410 -0.439 1.00 0.00 H new ATOM 704 N ALA A 40 -17.127 10.791 -3.112 1.00 0.00 N ATOM 705 CA ALA A 40 -17.451 10.000 -4.293 1.00 0.00 C ATOM 706 C ALA A 40 -17.847 8.578 -3.909 1.00 0.00 C ATOM 707 O ALA A 40 -18.765 8.000 -4.490 1.00 0.00 O ATOM 708 CB ALA A 40 -16.271 9.980 -5.254 1.00 0.00 C ATOM 0 H ALA A 40 -16.185 11.181 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.303 10.465 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.526 9.386 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.035 10.999 -5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.405 9.541 -4.758 1.00 0.00 H new ATOM 714 N LEU A 41 -17.149 8.019 -2.925 1.00 0.00 N ATOM 715 CA LEU A 41 -17.430 6.664 -2.465 1.00 0.00 C ATOM 716 C LEU A 41 -18.766 6.602 -1.731 1.00 0.00 C ATOM 717 O LEU A 41 -19.611 5.757 -2.028 1.00 0.00 O ATOM 718 CB LEU A 41 -16.305 6.173 -1.547 1.00 0.00 C ATOM 719 CG LEU A 41 -15.270 5.269 -2.218 1.00 0.00 C ATOM 720 CD1 LEU A 41 -14.213 6.103 -2.925 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.626 4.346 -1.193 1.00 0.00 C ATOM 0 H LEU A 41 -16.386 8.483 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.488 6.015 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.792 7.040 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.749 5.633 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.778 4.656 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.485 5.443 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.687 6.723 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.708 6.741 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.892 3.709 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.132 4.942 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.393 3.724 -0.731 1.00 0.00 H new ATOM 733 N VAL A 42 -18.951 7.502 -0.770 1.00 0.00 N ATOM 734 CA VAL A 42 -20.185 7.550 0.007 1.00 0.00 C ATOM 735 C VAL A 42 -21.393 7.807 -0.889 1.00 0.00 C ATOM 736 O VAL A 42 -22.396 7.099 -0.813 1.00 0.00 O ATOM 737 CB VAL A 42 -20.122 8.642 1.092 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.350 8.580 1.988 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.846 8.509 1.912 1.00 0.00 C ATOM 0 H VAL A 42 -18.262 8.208 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.294 6.577 0.486 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.110 9.615 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.286 9.359 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.247 8.732 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.398 7.605 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.820 9.289 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.823 7.531 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.980 8.611 1.257 1.00 0.00 H new ATOM 749 N TYR A 43 -21.288 8.824 -1.737 1.00 0.00 N ATOM 750 CA TYR A 43 -22.370 9.179 -2.649 1.00 0.00 C ATOM 751 C TYR A 43 -22.760 7.993 -3.525 1.00 0.00 C ATOM 752 O TYR A 43 -23.937 7.785 -3.819 1.00 0.00 O ATOM 753 CB TYR A 43 -21.959 10.361 -3.526 1.00 0.00 C ATOM 754 CG TYR A 43 -23.049 10.830 -4.463 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.187 11.460 -3.977 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.940 10.641 -5.836 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.184 11.890 -4.829 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.934 11.069 -6.695 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.054 11.692 -6.188 1.00 0.00 C ATOM 760 OH TYR A 43 -26.046 12.119 -7.040 1.00 0.00 O ATOM 0 H TYR A 43 -20.463 9.419 -1.812 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.235 9.463 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.661 11.191 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.084 10.080 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.294 11.616 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.065 10.152 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -26.062 12.379 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.834 10.916 -7.759 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.799 11.904 -7.964 1.00 0.00 H new ATOM 770 N ARG A 44 -21.763 7.218 -3.942 1.00 0.00 N ATOM 771 CA ARG A 44 -22.002 6.054 -4.786 1.00 0.00 C ATOM 772 C ARG A 44 -22.859 5.021 -4.060 1.00 0.00 C ATOM 773 O ARG A 44 -23.761 4.424 -4.649 1.00 0.00 O ATOM 774 CB ARG A 44 -20.674 5.425 -5.210 1.00 0.00 C ATOM 775 CG ARG A 44 -20.829 4.293 -6.212 1.00 0.00 C ATOM 776 CD ARG A 44 -20.824 4.810 -7.642 1.00 0.00 C ATOM 777 NE ARG A 44 -21.572 3.936 -8.543 1.00 0.00 N ATOM 778 CZ ARG A 44 -21.441 3.951 -9.867 1.00 0.00 C ATOM 779 NH1 ARG A 44 -20.597 4.793 -10.449 1.00 0.00 N ATOM 780 NH2 ARG A 44 -22.158 3.120 -10.613 1.00 0.00 N ATOM 0 H ARG A 44 -20.783 7.376 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.540 6.385 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -20.038 6.197 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.161 5.048 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.019 3.576 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.760 3.760 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -21.255 5.811 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -19.796 4.897 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 44 -22.233 3.276 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.043 5.434 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.502 4.799 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -22.809 2.471 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.058 3.131 -11.628 1.00 0.00 H new ATOM 794 N LEU A 45 -22.574 4.816 -2.778 1.00 0.00 N ATOM 795 CA LEU A 45 -23.321 3.857 -1.973 1.00 0.00 C ATOM 796 C LEU A 45 -24.708 4.397 -1.636 1.00 0.00 C ATOM 797 O LEU A 45 -25.690 3.656 -1.628 1.00 0.00 O ATOM 798 CB LEU A 45 -22.559 3.534 -0.686 1.00 0.00 C ATOM 799 CG LEU A 45 -21.605 2.341 -0.776 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.388 1.041 -0.873 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.672 2.494 -1.969 1.00 0.00 C ATOM 0 H LEU A 45 -21.831 5.301 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.437 2.943 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.988 4.414 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.282 3.342 0.107 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.001 2.312 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.695 0.202 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.015 0.927 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.016 1.060 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -20.000 1.637 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.259 2.548 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.087 3.407 -1.859 1.00 0.00 H new ATOM 813 N GLN A 46 -24.779 5.696 -1.365 1.00 0.00 N ATOM 814 CA GLN A 46 -26.043 6.341 -1.031 1.00 0.00 C ATOM 815 C GLN A 46 -26.182 7.674 -1.764 1.00 0.00 C ATOM 816 O GLN A 46 -26.084 8.741 -1.158 1.00 0.00 O ATOM 817 CB GLN A 46 -26.150 6.557 0.481 1.00 0.00 C ATOM 818 CG GLN A 46 -27.039 5.539 1.178 1.00 0.00 C ATOM 819 CD GLN A 46 -26.405 4.970 2.430 1.00 0.00 C ATOM 820 OE1 GLN A 46 -27.162 4.948 3.521 1.00 0.00 O flip ATOM 821 NE2 GLN A 46 -25.245 4.555 2.419 1.00 0.00 N flip ATOM 0 H GLN A 46 -23.975 6.323 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.853 5.686 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.152 6.515 0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.539 7.557 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.988 6.009 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.264 4.726 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -24.699 4.591 1.558 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -24.831 4.176 3.271 1.00 0.00 H new ATOM 830 N PRO A 47 -26.415 7.628 -3.087 1.00 0.00 N ATOM 831 CA PRO A 47 -26.570 8.836 -3.902 1.00 0.00 C ATOM 832 C PRO A 47 -27.829 9.613 -3.535 1.00 0.00 C ATOM 833 O PRO A 47 -27.892 10.830 -3.705 1.00 0.00 O ATOM 834 CB PRO A 47 -26.671 8.297 -5.333 1.00 0.00 C ATOM 835 CG PRO A 47 -27.139 6.891 -5.180 1.00 0.00 C ATOM 836 CD PRO A 47 -26.551 6.397 -3.887 1.00 0.00 C ATOM 0 HA PRO A 47 -25.746 9.535 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.371 8.884 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.707 8.340 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.228 6.842 -5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.810 6.277 -6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.202 5.670 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.589 5.909 -4.043 1.00 0.00 H new ATOM 844 N GLY A 48 -28.828 8.899 -3.028 1.00 0.00 N ATOM 845 CA GLY A 48 -30.072 9.534 -2.639 1.00 0.00 C ATOM 846 C GLY A 48 -30.024 10.099 -1.229 1.00 0.00 C ATOM 847 O GLY A 48 -31.005 10.670 -0.752 1.00 0.00 O ATOM 0 H GLY A 48 -28.798 7.890 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.301 10.336 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.883 8.809 -2.708 1.00 0.00 H new ATOM 851 N LEU A 49 -28.883 9.943 -0.562 1.00 0.00 N ATOM 852 CA LEU A 49 -28.720 10.446 0.797 1.00 0.00 C ATOM 853 C LEU A 49 -27.430 11.251 0.933 1.00 0.00 C ATOM 854 O LEU A 49 -26.832 11.303 2.007 1.00 0.00 O ATOM 855 CB LEU A 49 -28.718 9.286 1.795 1.00 0.00 C ATOM 856 CG LEU A 49 -30.095 8.883 2.324 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.005 7.584 3.111 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.680 9.990 3.186 1.00 0.00 C ATOM 0 H LEU A 49 -28.060 9.473 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.561 11.105 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.261 8.419 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -28.086 9.556 2.641 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.757 8.724 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.994 7.313 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.629 6.792 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.327 7.716 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.660 9.686 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.019 10.181 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.781 10.898 2.592 1.00 0.00 H new ATOM 870 N LEU A 50 -27.007 11.875 -0.162 1.00 0.00 N ATOM 871 CA LEU A 50 -25.787 12.675 -0.158 1.00 0.00 C ATOM 872 C LEU A 50 -25.861 13.796 -1.192 1.00 0.00 C ATOM 873 O LEU A 50 -26.833 13.906 -1.938 1.00 0.00 O ATOM 874 CB LEU A 50 -24.570 11.788 -0.437 1.00 0.00 C ATOM 875 CG LEU A 50 -23.854 11.260 0.810 1.00 0.00 C ATOM 876 CD1 LEU A 50 -24.074 9.762 0.961 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.367 11.579 0.750 1.00 0.00 C ATOM 0 H LEU A 50 -27.489 11.842 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.684 13.125 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.889 10.939 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.856 12.354 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -24.276 11.758 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.557 9.406 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -25.141 9.559 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.682 9.246 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.876 11.196 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.930 11.111 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.228 12.659 0.695 1.00 0.00 H new ATOM 889 N GLU A 51 -24.820 14.623 -1.229 1.00 0.00 N ATOM 890 CA GLU A 51 -24.752 15.736 -2.167 1.00 0.00 C ATOM 891 C GLU A 51 -23.320 16.255 -2.278 1.00 0.00 C ATOM 892 O GLU A 51 -23.035 17.402 -1.931 1.00 0.00 O ATOM 893 CB GLU A 51 -25.689 16.862 -1.725 1.00 0.00 C ATOM 894 CG GLU A 51 -27.143 16.628 -2.100 1.00 0.00 C ATOM 895 CD GLU A 51 -27.936 17.917 -2.199 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.846 18.591 -3.247 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.647 18.252 -1.228 1.00 0.00 O ATOM 0 H GLU A 51 -24.009 14.541 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.070 15.380 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.616 16.980 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.354 17.798 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.188 16.104 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.605 15.978 -1.357 1.00 0.00 H new ATOM 904 N PRO A 52 -22.395 15.408 -2.762 1.00 0.00 N ATOM 905 CA PRO A 52 -20.983 15.774 -2.915 1.00 0.00 C ATOM 906 C PRO A 52 -20.784 16.980 -3.825 1.00 0.00 C ATOM 907 O PRO A 52 -19.889 17.793 -3.602 1.00 0.00 O ATOM 908 CB PRO A 52 -20.345 14.525 -3.539 1.00 0.00 C ATOM 909 CG PRO A 52 -21.485 13.742 -4.096 1.00 0.00 C ATOM 910 CD PRO A 52 -22.652 14.026 -3.197 1.00 0.00 C ATOM 0 HA PRO A 52 -20.541 16.062 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.633 14.794 -4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.798 13.948 -2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.700 14.040 -5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.256 12.677 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.601 13.937 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.691 13.336 -2.354 1.00 0.00 H new ATOM 918 N SER A 53 -21.616 17.087 -4.855 1.00 0.00 N ATOM 919 CA SER A 53 -21.523 18.193 -5.802 1.00 0.00 C ATOM 920 C SER A 53 -21.570 19.544 -5.093 1.00 0.00 C ATOM 921 O SER A 53 -20.909 20.497 -5.508 1.00 0.00 O ATOM 922 CB SER A 53 -22.653 18.108 -6.829 1.00 0.00 C ATOM 923 OG SER A 53 -22.911 16.763 -7.193 1.00 0.00 O ATOM 0 H SER A 53 -22.363 16.422 -5.056 1.00 0.00 H new ATOM 0 HA SER A 53 -20.563 18.111 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.557 18.557 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.387 18.683 -7.716 1.00 0.00 H new ATOM 0 HG SER A 53 -23.638 16.735 -7.849 1.00 0.00 H new ATOM 929 N GLU A 54 -22.357 19.623 -4.026 1.00 0.00 N ATOM 930 CA GLU A 54 -22.493 20.862 -3.267 1.00 0.00 C ATOM 931 C GLU A 54 -21.228 21.170 -2.468 1.00 0.00 C ATOM 932 O GLU A 54 -20.704 22.282 -2.522 1.00 0.00 O ATOM 933 CB GLU A 54 -23.693 20.777 -2.323 1.00 0.00 C ATOM 934 CG GLU A 54 -24.268 22.134 -1.947 1.00 0.00 C ATOM 935 CD GLU A 54 -25.761 22.083 -1.690 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.219 21.123 -1.037 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.472 23.005 -2.142 1.00 0.00 O ATOM 0 H GLU A 54 -22.910 18.845 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.650 21.671 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.473 20.179 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.394 20.254 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.762 22.505 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.065 22.845 -2.748 1.00 0.00 H new ATOM 944 N LEU A 55 -20.746 20.181 -1.724 1.00 0.00 N ATOM 945 CA LEU A 55 -19.550 20.343 -0.902 1.00 0.00 C ATOM 946 C LEU A 55 -18.269 20.186 -1.722 1.00 0.00 C ATOM 947 O LEU A 55 -17.173 20.447 -1.226 1.00 0.00 O ATOM 948 CB LEU A 55 -19.558 19.331 0.246 1.00 0.00 C ATOM 949 CG LEU A 55 -20.904 19.158 0.950 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.013 17.769 1.559 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.088 20.227 2.016 1.00 0.00 C ATOM 0 H LEU A 55 -21.167 19.253 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.566 21.355 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.242 18.363 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.816 19.637 0.984 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.697 19.270 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.978 17.664 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.926 17.019 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.213 17.627 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.051 20.089 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.290 20.146 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.055 21.213 1.552 1.00 0.00 H new ATOM 963 N GLN A 56 -18.406 19.745 -2.967 1.00 0.00 N ATOM 964 CA GLN A 56 -17.253 19.538 -3.835 1.00 0.00 C ATOM 965 C GLN A 56 -16.475 20.832 -4.054 1.00 0.00 C ATOM 966 O GLN A 56 -15.251 20.813 -4.190 1.00 0.00 O ATOM 967 CB GLN A 56 -17.703 18.972 -5.184 1.00 0.00 C ATOM 968 CG GLN A 56 -16.564 18.750 -6.167 1.00 0.00 C ATOM 969 CD GLN A 56 -16.837 19.361 -7.528 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.227 18.667 -8.467 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.632 20.668 -7.640 1.00 0.00 N ATOM 0 H GLN A 56 -19.304 19.524 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.592 18.825 -3.341 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.216 18.025 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.428 19.653 -5.630 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.649 19.178 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.392 17.680 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.308 21.204 -6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.798 21.136 -8.531 1.00 0.00 H new ATOM 980 N GLY A 57 -17.185 21.953 -4.088 1.00 0.00 N ATOM 981 CA GLY A 57 -16.528 23.232 -4.295 1.00 0.00 C ATOM 982 C GLY A 57 -16.764 24.210 -3.159 1.00 0.00 C ATOM 983 O GLY A 57 -15.973 25.130 -2.950 1.00 0.00 O ATOM 0 H GLY A 57 -18.198 22.001 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.456 23.069 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.886 23.672 -5.226 1.00 0.00 H new ATOM 987 N LEU A 58 -17.856 24.017 -2.422 1.00 0.00 N ATOM 988 CA LEU A 58 -18.189 24.894 -1.307 1.00 0.00 C ATOM 989 C LEU A 58 -17.051 24.952 -0.294 1.00 0.00 C ATOM 990 O LEU A 58 -16.795 25.995 0.310 1.00 0.00 O ATOM 991 CB LEU A 58 -19.473 24.420 -0.624 1.00 0.00 C ATOM 992 CG LEU A 58 -20.708 25.269 -0.923 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.265 24.933 -2.299 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.765 25.068 0.151 1.00 0.00 C ATOM 0 H LEU A 58 -18.523 23.261 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.345 25.897 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.673 23.393 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.311 24.406 0.454 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.415 26.319 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.144 25.547 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.507 25.132 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.543 23.880 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.637 25.680 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.057 24.018 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.360 25.361 1.120 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.370 23.827 -0.113 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.267 23.774 0.828 1.00 0.00 C ATOM 1008 C GLY A 59 -14.718 22.371 1.005 1.00 0.00 C ATOM 1009 O GLY A 59 -15.458 21.393 0.916 1.00 0.00 O ATOM 0 H GLY A 59 -16.561 22.952 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.469 24.432 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.600 24.155 1.794 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.418 22.276 1.257 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.769 20.985 1.448 1.00 0.00 C ATOM 1015 C ALA A 60 -13.056 20.428 2.839 1.00 0.00 C ATOM 1016 O ALA A 60 -13.543 19.307 2.981 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.270 21.110 1.228 1.00 0.00 C ATOM 0 H ALA A 60 -12.792 23.078 1.334 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.176 20.289 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.799 20.138 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.079 21.457 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.856 21.825 1.940 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.748 21.219 3.862 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.972 20.806 5.242 1.00 0.00 C ATOM 1025 C LEU A 61 -14.448 20.509 5.489 1.00 0.00 C ATOM 1026 O LEU A 61 -14.791 19.533 6.157 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.492 21.892 6.207 1.00 0.00 C ATOM 1028 CG LEU A 61 -12.654 21.557 7.692 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -11.316 21.179 8.306 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -13.274 22.729 8.441 1.00 0.00 C ATOM 0 H LEU A 61 -12.343 22.149 3.761 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.401 19.894 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.439 22.094 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.038 22.811 5.996 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.324 20.701 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.453 20.945 9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.912 20.308 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.622 22.013 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.381 22.472 9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.631 23.604 8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.255 22.952 8.020 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.316 21.357 4.948 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.755 21.184 5.110 1.00 0.00 C ATOM 1044 C GLU A 62 -17.224 19.885 4.463 1.00 0.00 C ATOM 1045 O GLU A 62 -17.977 19.118 5.061 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.505 22.372 4.505 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.697 22.824 5.331 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.860 24.332 5.342 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.461 24.870 4.390 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -18.388 24.973 6.304 1.00 0.00 O ATOM 0 H GLU A 62 -15.048 22.170 4.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.972 21.134 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.814 23.208 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.847 22.104 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.604 22.367 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.582 22.467 6.354 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.774 19.646 3.234 1.00 0.00 N ATOM 1058 CA ALA A 63 -17.149 18.440 2.506 1.00 0.00 C ATOM 1059 C ALA A 63 -16.621 17.192 3.201 1.00 0.00 C ATOM 1060 O ALA A 63 -17.330 16.193 3.331 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.634 18.506 1.077 1.00 0.00 C ATOM 0 H ALA A 63 -16.150 20.271 2.723 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.237 18.381 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.921 17.599 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -17.064 19.373 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.548 18.593 1.085 1.00 0.00 H new ATOM 1067 N THR A 64 -15.370 17.253 3.645 1.00 0.00 N ATOM 1068 CA THR A 64 -14.746 16.126 4.325 1.00 0.00 C ATOM 1069 C THR A 64 -15.412 15.863 5.671 1.00 0.00 C ATOM 1070 O THR A 64 -15.796 14.735 5.975 1.00 0.00 O ATOM 1071 CB THR A 64 -13.253 16.387 4.525 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.693 16.998 3.376 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.458 15.132 4.811 1.00 0.00 C ATOM 0 H THR A 64 -14.769 18.071 3.546 1.00 0.00 H new ATOM 0 HA THR A 64 -14.873 15.243 3.699 1.00 0.00 H new ATOM 0 HB THR A 64 -13.189 17.043 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.654 17.968 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.407 15.389 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.833 14.663 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.560 14.438 3.976 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.546 16.913 6.475 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.166 16.793 7.789 1.00 0.00 C ATOM 1083 C ALA A 65 -17.629 16.380 7.671 1.00 0.00 C ATOM 1084 O ALA A 65 -18.102 15.518 8.413 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.046 18.106 8.549 1.00 0.00 C ATOM 0 H ALA A 65 -15.234 17.855 6.240 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.640 16.015 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.513 18.003 9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.993 18.359 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.546 18.897 7.990 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.340 16.997 6.734 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.750 16.690 6.519 1.00 0.00 C ATOM 1093 C TRP A 66 -19.921 15.272 5.984 1.00 0.00 C ATOM 1094 O TRP A 66 -20.851 14.560 6.365 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.370 17.693 5.544 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.868 17.676 5.548 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.693 18.463 6.299 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.720 16.832 4.766 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -24.007 18.160 6.032 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.049 17.162 5.093 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.489 15.830 3.820 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.140 16.525 4.509 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.573 15.197 3.240 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.884 15.548 3.585 1.00 0.00 C ATOM 0 H TRP A 66 -17.964 17.712 6.111 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.262 16.763 7.478 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.024 18.695 5.796 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.014 17.477 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.362 19.214 7.001 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.818 18.605 6.462 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.481 15.555 3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.152 16.792 4.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.406 14.420 2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.710 15.037 3.112 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.016 14.868 5.098 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.063 13.538 4.507 1.00 0.00 C ATOM 1117 C ALA A 67 -18.702 12.467 5.530 1.00 0.00 C ATOM 1118 O ALA A 67 -19.272 11.377 5.529 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.130 13.461 3.309 1.00 0.00 C ATOM 0 H ALA A 67 -18.240 15.445 4.774 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.084 13.353 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.175 12.461 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.436 14.194 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.110 13.673 3.628 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.747 12.782 6.399 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.306 11.843 7.425 1.00 0.00 C ATOM 1127 C LEU A 68 -18.426 11.540 8.418 1.00 0.00 C ATOM 1128 O LEU A 68 -18.630 10.389 8.802 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.089 12.402 8.166 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.987 11.383 8.461 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -14.140 11.141 7.222 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.120 11.856 9.618 1.00 0.00 C ATOM 0 H LEU A 68 -17.264 13.680 6.413 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.030 10.912 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.664 13.213 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.424 12.835 9.108 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.455 10.441 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.361 10.413 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.770 10.758 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.680 12.078 6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.341 11.119 9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.660 12.810 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.737 11.978 10.509 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.144 12.579 8.834 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.236 12.416 9.788 1.00 0.00 C ATOM 1146 C LYS A 69 -21.393 11.635 9.173 1.00 0.00 C ATOM 1147 O LYS A 69 -21.901 10.686 9.771 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.728 13.781 10.268 1.00 0.00 C ATOM 1149 CG LYS A 69 -19.987 14.302 11.490 1.00 0.00 C ATOM 1150 CD LYS A 69 -20.949 14.827 12.546 1.00 0.00 C ATOM 1151 CE LYS A 69 -21.330 16.277 12.284 1.00 0.00 C ATOM 1152 NZ LYS A 69 -22.807 16.465 12.263 1.00 0.00 N ATOM 0 H LYS A 69 -18.990 13.539 8.527 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.856 11.851 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.624 14.501 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.791 13.713 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -19.379 13.504 11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.305 15.098 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.848 14.211 12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -20.490 14.743 13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.894 16.913 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.909 16.597 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -23.027 17.465 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.221 15.878 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.206 16.184 13.181 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.803 12.035 7.974 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.897 11.364 7.282 1.00 0.00 C ATOM 1168 C VAL A 70 -22.494 9.960 6.851 1.00 0.00 C ATOM 1169 O VAL A 70 -23.281 9.022 6.953 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.358 12.159 6.044 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.599 11.525 5.432 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.620 13.614 6.409 1.00 0.00 C ATOM 0 H VAL A 70 -21.396 12.818 7.463 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.725 11.302 7.989 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.560 12.132 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.909 12.100 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.374 10.502 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.404 11.518 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.944 14.159 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.398 13.664 7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.705 14.063 6.796 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.260 9.819 6.377 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.758 8.521 5.942 1.00 0.00 C ATOM 1184 C ALA A 71 -20.879 7.505 7.069 1.00 0.00 C ATOM 1185 O ALA A 71 -21.326 6.376 6.861 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.312 8.639 5.483 1.00 0.00 C ATOM 0 H ALA A 71 -20.592 10.584 6.285 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.359 8.178 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.951 7.662 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.250 9.340 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.697 8.999 6.307 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.488 7.923 8.266 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.559 7.066 9.441 1.00 0.00 C ATOM 1194 C GLU A 72 -22.011 6.834 9.845 1.00 0.00 C ATOM 1195 O GLU A 72 -22.376 5.745 10.283 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.785 7.693 10.604 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.841 6.878 11.888 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.079 7.739 13.113 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.024 8.555 13.093 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -19.318 7.596 14.093 1.00 0.00 O ATOM 0 H GLU A 72 -20.117 8.855 8.448 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.107 6.105 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.743 7.819 10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.183 8.689 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.636 6.136 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.906 6.331 12.008 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.832 7.869 9.707 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.241 7.778 10.069 1.00 0.00 C ATOM 1209 C ASN A 73 -25.021 6.917 9.078 1.00 0.00 C ATOM 1210 O ASN A 73 -25.879 6.124 9.470 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.860 9.176 10.135 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.315 9.995 11.288 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -23.751 9.451 12.238 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -24.479 11.309 11.209 1.00 0.00 N ATOM 0 H ASN A 73 -22.546 8.780 9.347 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.300 7.305 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.669 9.700 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.942 9.087 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.131 11.912 11.955 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.953 11.716 10.403 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.727 7.085 7.794 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.409 6.333 6.745 1.00 0.00 C ATOM 1223 C GLU A 74 -24.825 4.932 6.576 1.00 0.00 C ATOM 1224 O GLU A 74 -25.561 3.962 6.397 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.327 7.089 5.418 1.00 0.00 C ATOM 1226 CG GLU A 74 -25.984 8.459 5.458 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.498 8.381 5.465 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -28.035 7.311 5.824 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -28.147 9.387 5.110 1.00 0.00 O ATOM 0 H GLU A 74 -24.020 7.736 7.453 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.452 6.227 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.280 7.205 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.799 6.491 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.648 8.993 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -25.658 9.039 4.595 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.499 4.834 6.611 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.826 3.551 6.435 1.00 0.00 C ATOM 1238 C LEU A 75 -22.584 2.842 7.765 1.00 0.00 C ATOM 1239 O LEU A 75 -22.636 1.614 7.838 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.495 3.751 5.707 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.132 2.650 4.710 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.909 1.330 5.431 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.220 2.507 3.655 1.00 0.00 C ATOM 0 H LEU A 75 -22.871 5.624 6.759 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.483 2.919 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.527 4.703 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.700 3.825 6.449 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.204 2.929 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.652 0.558 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.095 1.440 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -21.820 1.044 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.945 1.719 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.163 2.251 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.332 3.449 3.117 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.309 3.610 8.814 1.00 0.00 N ATOM 1256 CA GLY A 76 -22.055 3.018 10.115 1.00 0.00 C ATOM 1257 C GLY A 76 -20.588 2.691 10.320 1.00 0.00 C ATOM 1258 O GLY A 76 -20.246 1.777 11.072 1.00 0.00 O ATOM 0 H GLY A 76 -22.257 4.628 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.385 3.704 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.646 2.108 10.220 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.719 3.437 9.645 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.279 3.224 9.748 1.00 0.00 C ATOM 1264 C ILE A 77 -17.616 4.328 10.567 1.00 0.00 C ATOM 1265 O ILE A 77 -17.787 5.514 10.280 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.620 3.160 8.355 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -16.132 2.821 8.481 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -17.807 4.477 7.613 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.415 2.744 7.151 1.00 0.00 C ATOM 0 H ILE A 77 -19.988 4.196 9.019 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.135 2.269 10.252 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.106 2.371 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.648 3.574 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.028 1.866 8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -17.335 4.412 6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.871 4.678 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -17.348 5.284 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.366 2.500 7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.874 1.971 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.488 3.705 6.642 1.00 0.00 H new ATOM 1281 N THR A 78 -16.861 3.932 11.586 1.00 0.00 N ATOM 1282 CA THR A 78 -16.174 4.888 12.446 1.00 0.00 C ATOM 1283 C THR A 78 -14.970 5.500 11.730 1.00 0.00 C ATOM 1284 O THR A 78 -14.145 4.781 11.165 1.00 0.00 O ATOM 1285 CB THR A 78 -15.718 4.205 13.737 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.513 3.064 14.008 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.785 5.108 14.949 1.00 0.00 C ATOM 0 H THR A 78 -16.709 2.955 11.837 1.00 0.00 H new ATOM 0 HA THR A 78 -16.874 5.687 12.690 1.00 0.00 H new ATOM 0 HB THR A 78 -14.677 3.931 13.566 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.102 2.274 13.598 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.448 4.561 15.829 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.143 5.975 14.793 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.812 5.440 15.099 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.850 6.840 11.741 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.740 7.539 11.088 1.00 0.00 C ATOM 1297 C PRO A 79 -12.446 7.458 11.891 1.00 0.00 C ATOM 1298 O PRO A 79 -12.462 7.520 13.120 1.00 0.00 O ATOM 1299 CB PRO A 79 -14.234 8.982 11.017 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.137 9.125 12.193 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.787 7.781 12.389 1.00 0.00 C ATOM 0 HA PRO A 79 -13.496 7.104 10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.405 9.688 11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.764 9.175 10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.577 9.420 13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.886 9.898 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.919 7.550 13.446 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.774 7.743 11.929 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.326 7.321 11.189 1.00 0.00 N ATOM 1310 CA VAL A 80 -10.023 7.232 11.838 1.00 0.00 C ATOM 1311 C VAL A 80 -9.052 8.265 11.270 1.00 0.00 C ATOM 1312 O VAL A 80 -7.835 8.114 11.383 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.408 5.827 11.682 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.171 5.683 12.554 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.435 4.751 12.017 1.00 0.00 C ATOM 0 H VAL A 80 -11.294 7.269 10.171 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.186 7.433 12.897 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.107 5.698 10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.752 4.684 12.429 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.430 6.427 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.443 5.835 13.599 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.982 3.767 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.771 4.877 13.046 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.288 4.840 11.344 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.595 9.316 10.661 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.774 10.370 10.078 1.00 0.00 C ATOM 1327 C VAL A 81 -9.495 11.715 10.124 1.00 0.00 C ATOM 1328 O VAL A 81 -10.724 11.771 10.122 1.00 0.00 O ATOM 1329 CB VAL A 81 -8.398 10.047 8.617 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -9.643 9.933 7.754 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -7.448 11.099 8.063 1.00 0.00 C ATOM 0 H VAL A 81 -10.600 9.459 10.559 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.863 10.429 10.673 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.886 9.085 8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.355 9.705 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.280 9.136 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.189 10.876 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.195 10.853 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.929 12.077 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.539 11.121 8.664 1.00 0.00 H new ATOM 1341 N SER A 82 -8.723 12.795 10.166 1.00 0.00 N ATOM 1342 CA SER A 82 -9.289 14.138 10.213 1.00 0.00 C ATOM 1343 C SER A 82 -9.302 14.773 8.826 1.00 0.00 C ATOM 1344 O SER A 82 -8.471 14.453 7.977 1.00 0.00 O ATOM 1345 CB SER A 82 -8.494 15.016 11.181 1.00 0.00 C ATOM 1346 OG SER A 82 -7.160 14.556 11.309 1.00 0.00 O ATOM 0 H SER A 82 -7.703 12.767 10.168 1.00 0.00 H new ATOM 0 HA SER A 82 -10.317 14.059 10.566 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.494 16.047 10.826 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.977 15.016 12.158 1.00 0.00 H new ATOM 0 HG SER A 82 -6.673 15.135 11.932 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.254 15.673 8.602 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.380 16.351 7.318 1.00 0.00 C ATOM 1354 C ALA A 83 -9.121 17.146 6.989 1.00 0.00 C ATOM 1355 O ALA A 83 -8.638 17.123 5.857 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.595 17.266 7.324 1.00 0.00 C ATOM 0 H ALA A 83 -10.950 15.950 9.294 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.511 15.592 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.678 17.767 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.494 16.676 7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.485 18.012 8.111 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.595 17.855 7.984 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.393 18.664 7.800 1.00 0.00 C ATOM 1364 C GLN A 84 -6.243 17.827 7.248 1.00 0.00 C ATOM 1365 O GLN A 84 -5.488 18.282 6.390 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.982 19.308 9.127 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.578 20.767 8.996 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.373 21.437 10.340 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.329 21.276 10.973 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -7.371 22.192 10.784 1.00 0.00 N ATOM 0 H GLN A 84 -8.982 17.886 8.927 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.622 19.446 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.811 19.231 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.150 18.746 9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.658 20.835 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.346 21.304 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.218 22.297 10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.290 22.667 11.683 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.114 16.602 7.747 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.054 15.704 7.304 1.00 0.00 C ATOM 1381 C ALA A 85 -5.272 15.264 5.861 1.00 0.00 C ATOM 1382 O ALA A 85 -4.331 15.199 5.070 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.973 14.493 8.220 1.00 0.00 C ATOM 0 H ALA A 85 -6.730 16.209 8.458 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.110 16.247 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.178 13.831 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.760 14.820 9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.923 13.959 8.202 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.522 14.957 5.524 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.866 14.517 4.179 1.00 0.00 C ATOM 1391 C VAL A 86 -6.691 15.643 3.164 1.00 0.00 C ATOM 1392 O VAL A 86 -6.090 15.450 2.107 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.318 14.001 4.112 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.622 13.427 2.737 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.567 12.964 5.196 1.00 0.00 C ATOM 0 H VAL A 86 -7.313 15.006 6.166 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.185 13.703 3.931 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.989 14.843 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.651 13.069 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.489 14.202 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.944 12.599 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.597 12.612 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.887 12.123 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.396 13.413 6.175 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.223 16.817 3.489 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.127 17.970 2.601 1.00 0.00 C ATOM 1407 C VAL A 87 -5.673 18.366 2.361 1.00 0.00 C ATOM 1408 O VAL A 87 -5.323 18.858 1.288 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.894 19.180 3.173 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.294 19.621 4.500 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -7.901 20.328 2.175 1.00 0.00 C ATOM 0 H VAL A 87 -7.724 16.995 4.359 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.577 17.678 1.652 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.926 18.877 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.851 20.475 4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.349 18.800 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.252 19.904 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.447 21.173 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.876 20.629 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.386 20.006 1.253 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.832 18.154 3.367 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.417 18.494 3.262 1.00 0.00 C ATOM 1423 C ALA A 88 -2.621 17.382 2.583 1.00 0.00 C ATOM 1424 O ALA A 88 -1.475 17.587 2.181 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.844 18.787 4.640 1.00 0.00 C ATOM 0 H ALA A 88 -5.104 17.749 4.263 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.334 19.387 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.788 19.039 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.380 19.625 5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.953 17.907 5.274 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.230 16.205 2.453 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.554 15.087 1.819 1.00 0.00 C ATOM 1433 C GLY A 89 -1.222 14.764 2.472 1.00 0.00 C ATOM 1434 O GLY A 89 -0.338 14.186 1.839 1.00 0.00 O ATOM 0 H GLY A 89 -4.177 16.007 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.197 14.208 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.392 15.315 0.765 1.00 0.00 H new ATOM 1438 N SER A 90 -1.077 15.140 3.739 1.00 0.00 N ATOM 1439 CA SER A 90 0.157 14.888 4.473 1.00 0.00 C ATOM 1440 C SER A 90 -0.039 13.783 5.507 1.00 0.00 C ATOM 1441 O SER A 90 0.429 13.888 6.640 1.00 0.00 O ATOM 1442 CB SER A 90 0.635 16.169 5.161 1.00 0.00 C ATOM 1443 OG SER A 90 -0.451 16.873 5.739 1.00 0.00 O ATOM 0 H SER A 90 -1.798 15.620 4.278 1.00 0.00 H new ATOM 0 HA SER A 90 0.914 14.562 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.364 15.921 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.142 16.807 4.437 1.00 0.00 H new ATOM 0 HG SER A 90 -0.119 17.686 6.174 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.735 12.723 5.107 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.993 11.598 5.999 1.00 0.00 C ATOM 1451 C ASP A 91 -1.312 10.333 5.202 1.00 0.00 C ATOM 1452 O ASP A 91 -2.448 9.861 5.195 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.148 11.929 6.947 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.916 11.392 8.347 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.404 10.261 8.472 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.250 12.105 9.318 1.00 0.00 O ATOM 0 H ASP A 91 -1.130 12.620 4.172 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.093 11.415 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.280 13.010 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.073 11.512 6.549 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.304 9.765 4.519 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.478 8.548 3.718 1.00 0.00 C ATOM 1463 C PRO A 92 -0.905 7.354 4.565 1.00 0.00 C ATOM 1464 O PRO A 92 -1.782 6.584 4.175 1.00 0.00 O ATOM 1465 CB PRO A 92 0.910 8.305 3.112 1.00 0.00 C ATOM 1466 CG PRO A 92 1.851 9.065 3.982 1.00 0.00 C ATOM 1467 CD PRO A 92 1.083 10.258 4.475 1.00 0.00 C ATOM 0 HA PRO A 92 -1.264 8.666 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.155 7.243 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.957 8.655 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.196 8.451 4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.736 9.373 3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.427 10.582 5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.187 11.110 3.804 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.278 7.207 5.729 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.594 6.106 6.632 1.00 0.00 C ATOM 1477 C LEU A 93 -2.062 6.143 7.046 1.00 0.00 C ATOM 1478 O LEU A 93 -2.699 5.101 7.206 1.00 0.00 O ATOM 1479 CB LEU A 93 0.299 6.167 7.872 1.00 0.00 C ATOM 1480 CG LEU A 93 0.593 4.814 8.524 1.00 0.00 C ATOM 1481 CD1 LEU A 93 1.649 4.059 7.732 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.038 5.003 9.966 1.00 0.00 C ATOM 0 H LEU A 93 0.450 7.835 6.068 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.409 5.171 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.245 6.634 7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.174 6.814 8.611 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.323 4.224 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.845 3.099 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.291 3.892 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.568 4.644 7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.243 4.031 10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.942 5.612 9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.249 5.502 10.528 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.592 7.350 7.217 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.980 7.500 7.612 1.00 0.00 C ATOM 1496 C GLY A 94 -4.941 7.207 6.477 1.00 0.00 C ATOM 1497 O GLY A 94 -5.959 6.544 6.672 1.00 0.00 O ATOM 0 H GLY A 94 -2.085 8.226 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.192 6.830 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.145 8.516 7.970 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.619 7.706 5.287 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.463 7.495 4.118 1.00 0.00 C ATOM 1503 C LEU A 95 -5.575 6.010 3.787 1.00 0.00 C ATOM 1504 O LEU A 95 -6.660 5.513 3.483 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.902 8.261 2.915 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.607 9.583 2.606 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.606 10.626 2.132 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.695 9.375 1.562 1.00 0.00 C ATOM 0 H LEU A 95 -3.780 8.258 5.108 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.460 7.871 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.845 8.462 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.961 7.620 2.035 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.072 9.946 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.127 11.559 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.862 10.796 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.111 10.271 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.186 10.326 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.250 8.988 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.429 8.662 1.938 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.449 5.307 3.851 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.423 3.880 3.561 1.00 0.00 C ATOM 1522 C ILE A 96 -5.179 3.091 4.626 1.00 0.00 C ATOM 1523 O ILE A 96 -5.965 2.198 4.311 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.978 3.349 3.469 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.167 4.186 2.481 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.973 1.884 3.058 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.674 4.138 2.728 1.00 0.00 C ATOM 0 H ILE A 96 -3.543 5.703 4.101 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.911 3.744 2.596 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.516 3.430 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.371 3.837 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.502 5.222 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.945 1.526 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.519 1.297 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.451 1.778 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.163 4.755 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.458 4.515 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.324 3.109 2.646 1.00 0.00 H new ATOM 1539 N ALA A 97 -4.936 3.428 5.888 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.594 2.752 7.000 1.00 0.00 C ATOM 1541 C ALA A 97 -7.109 2.898 6.910 1.00 0.00 C ATOM 1542 O ALA A 97 -7.847 1.930 7.096 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.087 3.302 8.326 1.00 0.00 C ATOM 0 H ALA A 97 -4.288 4.165 6.166 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.353 1.691 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.586 2.789 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.011 3.142 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.300 4.370 8.382 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.566 4.112 6.624 1.00 0.00 N ATOM 1550 CA TYR A 98 -8.994 4.384 6.509 1.00 0.00 C ATOM 1551 C TYR A 98 -9.578 3.712 5.271 1.00 0.00 C ATOM 1552 O TYR A 98 -10.695 3.199 5.298 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.245 5.892 6.452 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.679 6.279 6.741 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.385 5.685 7.779 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.326 7.240 5.974 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.694 6.036 8.045 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.635 7.598 6.233 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.315 6.993 7.270 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.619 7.345 7.531 1.00 0.00 O ATOM 0 H TYR A 98 -6.968 4.924 6.468 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.488 3.974 7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.592 6.388 7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.970 6.260 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.902 4.936 8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.797 7.715 5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.229 5.563 8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.123 8.347 5.627 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.906 8.033 6.894 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.812 3.720 4.183 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.253 3.111 2.933 1.00 0.00 C ATOM 1572 C LEU A 99 -9.571 1.633 3.130 1.00 0.00 C ATOM 1573 O LEU A 99 -10.489 1.096 2.510 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.179 3.279 1.854 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.582 4.169 0.673 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.785 5.464 0.682 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -8.389 3.431 -0.644 1.00 0.00 C ATOM 0 H LEU A 99 -7.884 4.141 4.143 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.163 3.617 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.284 3.696 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.911 2.294 1.472 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.639 4.416 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.086 6.082 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.976 6.002 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.722 5.237 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.680 4.079 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.341 3.151 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.007 2.533 -0.652 1.00 0.00 H new ATOM 1589 N SER A 100 -8.806 0.979 3.999 1.00 0.00 N ATOM 1590 CA SER A 100 -9.007 -0.439 4.279 1.00 0.00 C ATOM 1591 C SER A 100 -10.408 -0.690 4.830 1.00 0.00 C ATOM 1592 O SER A 100 -11.086 -1.633 4.423 1.00 0.00 O ATOM 1593 CB SER A 100 -7.958 -0.938 5.273 1.00 0.00 C ATOM 1594 OG SER A 100 -6.679 -1.022 4.667 1.00 0.00 O ATOM 0 H SER A 100 -8.042 1.408 4.521 1.00 0.00 H new ATOM 0 HA SER A 100 -8.900 -0.988 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.915 -0.265 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.249 -1.918 5.652 1.00 0.00 H new ATOM 0 HG SER A 100 -6.337 -0.119 4.498 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.832 0.162 5.757 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.153 0.033 6.365 1.00 0.00 C ATOM 1602 C HIS A 101 -13.251 0.240 5.325 1.00 0.00 C ATOM 1603 O HIS A 101 -14.218 -0.518 5.271 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.312 1.043 7.505 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.426 0.406 8.855 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.622 0.287 9.532 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -11.487 -0.150 9.657 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -13.414 -0.315 10.690 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -12.126 -0.589 10.789 1.00 0.00 N ATOM 0 H HIS A 101 -10.282 0.948 6.104 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.246 -0.975 6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.457 1.720 7.502 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.199 1.649 7.322 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.431 -0.233 9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.168 -0.544 11.429 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.678 -1.052 11.580 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.091 1.269 4.499 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.067 1.574 3.459 1.00 0.00 C ATOM 1620 C PHE A 102 -14.134 0.446 2.433 1.00 0.00 C ATOM 1621 O PHE A 102 -15.214 0.078 1.971 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.710 2.892 2.769 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.575 4.045 3.193 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.954 3.967 3.091 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.008 5.207 3.692 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.753 5.025 3.480 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -14.801 6.268 4.082 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.175 6.179 3.976 1.00 0.00 C ATOM 0 H PHE A 102 -12.295 1.906 4.530 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.046 1.673 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.668 3.133 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.795 2.762 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.410 3.068 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.934 5.284 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.827 4.951 3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -14.347 7.168 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.796 7.008 4.280 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.972 -0.096 2.081 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.898 -1.181 1.110 1.00 0.00 C ATOM 1640 C HIS A 103 -13.562 -2.443 1.652 1.00 0.00 C ATOM 1641 O HIS A 103 -14.339 -3.097 0.955 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.440 -1.473 0.751 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.282 -2.486 -0.340 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.709 -3.793 -0.223 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -10.739 -2.380 -1.576 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -11.435 -4.445 -1.338 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.847 -3.611 -2.176 1.00 0.00 N ATOM 0 H HIS A 103 -12.069 0.199 2.454 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.431 -0.868 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.957 -0.545 0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.919 -1.826 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.302 -1.493 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.655 -5.485 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.525 -3.843 -3.116 1.00 0.00 H new ATOM 1656 N SER A 104 -13.252 -2.780 2.901 1.00 0.00 N ATOM 1657 CA SER A 104 -13.820 -3.963 3.536 1.00 0.00 C ATOM 1658 C SER A 104 -15.342 -3.877 3.587 1.00 0.00 C ATOM 1659 O SER A 104 -16.038 -4.851 3.301 1.00 0.00 O ATOM 1660 CB SER A 104 -13.258 -4.126 4.951 1.00 0.00 C ATOM 1661 OG SER A 104 -13.571 -5.403 5.480 1.00 0.00 O ATOM 0 H SER A 104 -12.611 -2.250 3.492 1.00 0.00 H new ATOM 0 HA SER A 104 -13.544 -4.833 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.177 -3.991 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.666 -3.350 5.599 1.00 0.00 H new ATOM 0 HG SER A 104 -13.200 -5.483 6.383 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.852 -2.706 3.954 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.292 -2.494 4.041 1.00 0.00 C ATOM 1669 C ALA A 105 -17.924 -2.444 2.654 1.00 0.00 C ATOM 1670 O ALA A 105 -18.970 -3.047 2.414 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.591 -1.215 4.805 1.00 0.00 C ATOM 0 H ALA A 105 -15.290 -1.890 4.196 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.727 -3.336 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.670 -1.069 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.181 -1.288 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.137 -0.369 4.289 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.280 -1.722 1.743 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.776 -1.592 0.379 1.00 0.00 C ATOM 1679 C PHE A 106 -17.656 -2.912 -0.375 1.00 0.00 C ATOM 1680 O PHE A 106 -18.429 -3.186 -1.295 1.00 0.00 O ATOM 1681 CB PHE A 106 -17.004 -0.496 -0.360 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.515 0.893 -0.090 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -18.001 1.239 1.162 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.505 1.851 -1.089 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.469 2.516 1.408 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.971 3.129 -0.848 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.454 3.462 0.402 1.00 0.00 C ATOM 0 H PHE A 106 -16.412 -1.218 1.926 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.830 -1.319 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.953 -0.549 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.053 -0.689 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -18.014 0.503 1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.128 1.596 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.846 2.774 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.958 3.867 -1.636 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.819 4.460 0.593 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.684 -3.730 0.018 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.463 -5.022 -0.622 1.00 0.00 C ATOM 1699 C LYS A 107 -17.718 -5.887 -0.554 1.00 0.00 C ATOM 1700 O LYS A 107 -18.057 -6.582 -1.511 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.292 -5.750 0.041 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.961 -7.085 -0.607 1.00 0.00 C ATOM 1703 CD LYS A 107 -15.173 -8.242 0.358 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.037 -8.342 1.364 1.00 0.00 C ATOM 1705 NZ LYS A 107 -12.782 -8.845 0.738 1.00 0.00 N ATOM 0 H LYS A 107 -16.036 -3.520 0.778 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.224 -4.842 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.410 -5.110 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.525 -5.914 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.585 -7.227 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.925 -7.079 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -16.117 -8.109 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -15.249 -9.175 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.855 -7.362 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -14.329 -9.007 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.110 -9.123 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.998 -9.669 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.361 -8.095 0.154 1.00 0.00 H new