USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 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 : amide:sc= -0.884 X(o=-0.88,f=-0.48) USER MOD Single : A 13 CYS SG : rot -161:sc= -3.59! USER MOD Single : A 14 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 16 GLN : amide:sc= -1.14 K(o=-1.1,f=-7.5!) USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 20 TYR OH : rot 14:sc= -1.09 USER MOD Single : A 24 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 36:sc= 1.25 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -90:sc= -0.304 USER MOD Single : A 39 CYS SG : rot 89:sc= -1.53! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.63! C(o=-1.6!,f=-2.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0928 K(o=-0.093,f=-1.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 24:sc= -0.767 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.63) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -0.522 F(o=-2.3,f=-0.52) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.153 0.375 -2.873 1.00 0.00 N ATOM 202 CA GLN A 6 -0.528 1.653 -3.050 1.00 0.00 C ATOM 203 C GLN A 6 -1.228 1.718 -4.404 1.00 0.00 C ATOM 204 O GLN A 6 -2.280 2.343 -4.541 1.00 0.00 O ATOM 205 CB GLN A 6 0.470 2.807 -2.921 1.00 0.00 C ATOM 206 CG GLN A 6 -0.046 3.964 -2.080 1.00 0.00 C ATOM 207 CD GLN A 6 0.805 4.218 -0.851 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.307 3.283 -0.227 1.00 0.00 O ATOM 209 NE2 GLN A 6 0.969 5.488 -0.496 1.00 0.00 N ATOM 0 HA GLN A 6 -1.283 1.744 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.393 2.431 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.719 3.175 -3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.075 4.867 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.070 3.755 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.534 6.231 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.530 5.720 0.324 1.00 0.00 H new ATOM 218 N GLU A 7 -0.637 1.071 -5.404 1.00 0.00 N ATOM 219 CA GLU A 7 -1.204 1.059 -6.748 1.00 0.00 C ATOM 220 C GLU A 7 -2.540 0.321 -6.773 1.00 0.00 C ATOM 221 O GLU A 7 -3.474 0.733 -7.461 1.00 0.00 O ATOM 222 CB GLU A 7 -0.227 0.408 -7.729 1.00 0.00 C ATOM 223 CG GLU A 7 -0.098 1.158 -9.045 1.00 0.00 C ATOM 224 CD GLU A 7 0.959 2.243 -8.995 1.00 0.00 C ATOM 225 OE1 GLU A 7 2.154 1.918 -9.166 1.00 0.00 O ATOM 226 OE2 GLU A 7 0.593 3.418 -8.785 1.00 0.00 O ATOM 0 H GLU A 7 0.234 0.549 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.378 2.092 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.755 0.341 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.554 -0.612 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.148 0.452 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.059 1.604 -9.301 1.00 0.00 H new ATOM 233 N GLU A 8 -2.622 -0.770 -6.019 1.00 0.00 N ATOM 234 CA GLU A 8 -3.844 -1.565 -5.958 1.00 0.00 C ATOM 235 C GLU A 8 -4.999 -0.749 -5.388 1.00 0.00 C ATOM 236 O GLU A 8 -6.104 -0.755 -5.929 1.00 0.00 O ATOM 237 CB GLU A 8 -3.619 -2.816 -5.107 1.00 0.00 C ATOM 238 CG GLU A 8 -2.494 -3.702 -5.616 1.00 0.00 C ATOM 239 CD GLU A 8 -2.532 -5.096 -5.018 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.429 -5.879 -5.396 1.00 0.00 O ATOM 241 OE2 GLU A 8 -1.666 -5.404 -4.173 1.00 0.00 O ATOM 0 H GLU A 8 -1.859 -1.124 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.104 -1.865 -6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.398 -2.514 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.542 -3.396 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.557 -3.775 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.536 -3.237 -5.383 1.00 0.00 H new ATOM 248 N LEU A 9 -4.737 -0.047 -4.290 1.00 0.00 N ATOM 249 CA LEU A 9 -5.757 0.773 -3.650 1.00 0.00 C ATOM 250 C LEU A 9 -6.102 1.983 -4.512 1.00 0.00 C ATOM 251 O LEU A 9 -7.256 2.405 -4.575 1.00 0.00 O ATOM 252 CB LEU A 9 -5.281 1.235 -2.271 1.00 0.00 C ATOM 253 CG LEU A 9 -5.314 0.159 -1.180 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.904 -0.201 -0.738 1.00 0.00 C ATOM 255 CD2 LEU A 9 -6.143 0.627 0.008 1.00 0.00 C ATOM 0 H LEU A 9 -3.829 -0.030 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.654 0.165 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.261 1.608 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.900 2.074 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.781 -0.734 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.950 -0.966 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.341 -0.581 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.409 0.686 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.155 -0.150 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.706 1.536 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.163 0.831 -0.318 1.00 0.00 H new ATOM 267 N LEU A 10 -5.092 2.536 -5.176 1.00 0.00 N ATOM 268 CA LEU A 10 -5.289 3.698 -6.036 1.00 0.00 C ATOM 269 C LEU A 10 -6.209 3.367 -7.207 1.00 0.00 C ATOM 270 O LEU A 10 -7.127 4.125 -7.519 1.00 0.00 O ATOM 271 CB LEU A 10 -3.940 4.203 -6.555 1.00 0.00 C ATOM 272 CG LEU A 10 -3.273 5.275 -5.693 1.00 0.00 C ATOM 273 CD1 LEU A 10 -1.865 5.560 -6.190 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.106 6.547 -5.688 1.00 0.00 C ATOM 0 H LEU A 10 -4.130 2.199 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.762 4.481 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.261 3.355 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.081 4.602 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.206 4.903 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.406 6.325 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.271 4.648 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.907 5.912 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.617 7.300 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.204 6.922 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.095 6.332 -5.284 1.00 0.00 H new ATOM 286 N ARG A 11 -5.957 2.233 -7.854 1.00 0.00 N ATOM 287 CA ARG A 11 -6.768 1.811 -8.990 1.00 0.00 C ATOM 288 C ARG A 11 -8.193 1.485 -8.555 1.00 0.00 C ATOM 289 O ARG A 11 -9.144 1.688 -9.310 1.00 0.00 O ATOM 290 CB ARG A 11 -6.133 0.600 -9.685 1.00 0.00 C ATOM 291 CG ARG A 11 -6.152 -0.673 -8.853 1.00 0.00 C ATOM 292 CD ARG A 11 -6.649 -1.861 -9.663 1.00 0.00 C ATOM 293 NE ARG A 11 -6.036 -3.114 -9.230 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.820 -3.513 -9.600 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.083 -2.758 -10.405 1.00 0.00 N ATOM 296 NH2 ARG A 11 -4.340 -4.668 -9.161 1.00 0.00 N ATOM 0 H ARG A 11 -5.201 1.593 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.810 2.638 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.657 0.416 -10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.101 0.840 -9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.149 -0.880 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.793 -0.531 -7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.732 -1.936 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.431 -1.697 -10.718 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.571 -3.720 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.447 -1.867 -10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.153 -3.068 -10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.902 -5.251 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.409 -4.974 -9.444 1.00 0.00 H new ATOM 310 N TRP A 12 -8.336 0.981 -7.332 1.00 0.00 N ATOM 311 CA TRP A 12 -9.648 0.631 -6.799 1.00 0.00 C ATOM 312 C TRP A 12 -10.494 1.880 -6.572 1.00 0.00 C ATOM 313 O TRP A 12 -11.648 1.945 -6.994 1.00 0.00 O ATOM 314 CB TRP A 12 -9.497 -0.143 -5.489 1.00 0.00 C ATOM 315 CG TRP A 12 -10.766 -0.798 -5.037 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.275 -1.988 -5.475 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.689 -0.301 -4.059 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.458 -2.260 -4.829 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.733 -1.240 -3.957 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.732 0.846 -3.263 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.807 -1.065 -3.087 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.800 1.019 -2.401 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.824 0.067 -2.320 1.00 0.00 C ATOM 0 H TRP A 12 -7.560 0.806 -6.693 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.154 0.000 -7.530 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.727 -0.905 -5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.151 0.537 -4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.816 -2.622 -6.219 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.037 -3.087 -4.975 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.946 1.584 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.598 -1.797 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.845 1.902 -1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.645 0.230 -1.637 1.00 0.00 H new ATOM 334 N CYS A 13 -9.912 2.866 -5.901 1.00 0.00 N ATOM 335 CA CYS A 13 -10.611 4.114 -5.614 1.00 0.00 C ATOM 336 C CYS A 13 -10.974 4.845 -6.904 1.00 0.00 C ATOM 337 O CYS A 13 -12.095 5.329 -7.059 1.00 0.00 O ATOM 338 CB CYS A 13 -9.747 5.013 -4.726 1.00 0.00 C ATOM 339 SG CYS A 13 -10.236 5.020 -2.985 1.00 0.00 S ATOM 0 H CYS A 13 -8.957 2.826 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.533 3.873 -5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.709 4.689 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.790 6.033 -5.109 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.742 6.070 -2.400 1.00 0.00 H new ATOM 345 N GLN A 14 -10.019 4.924 -7.824 1.00 0.00 N ATOM 346 CA GLN A 14 -10.240 5.600 -9.097 1.00 0.00 C ATOM 347 C GLN A 14 -11.363 4.934 -9.883 1.00 0.00 C ATOM 348 O GLN A 14 -12.219 5.611 -10.454 1.00 0.00 O ATOM 349 CB GLN A 14 -8.953 5.605 -9.926 1.00 0.00 C ATOM 350 CG GLN A 14 -9.026 6.498 -11.155 1.00 0.00 C ATOM 351 CD GLN A 14 -8.781 5.740 -12.444 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.767 5.938 -13.114 1.00 0.00 O ATOM 353 NE2 GLN A 14 -9.714 4.863 -12.803 1.00 0.00 N ATOM 0 H GLN A 14 -9.085 4.529 -7.712 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.533 6.629 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.126 5.934 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.729 4.586 -10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.007 6.971 -11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.290 7.297 -11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.540 4.729 -12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.604 4.324 -13.662 1.00 0.00 H new ATOM 362 N GLU A 15 -11.360 3.605 -9.908 1.00 0.00 N ATOM 363 CA GLU A 15 -12.384 2.855 -10.627 1.00 0.00 C ATOM 364 C GLU A 15 -13.751 3.048 -9.976 1.00 0.00 C ATOM 365 O GLU A 15 -14.747 3.286 -10.658 1.00 0.00 O ATOM 366 CB GLU A 15 -12.028 1.368 -10.661 1.00 0.00 C ATOM 367 CG GLU A 15 -12.939 0.544 -11.556 1.00 0.00 C ATOM 368 CD GLU A 15 -12.285 0.173 -12.874 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.051 -0.027 -12.888 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.006 0.085 -13.889 1.00 0.00 O ATOM 0 H GLU A 15 -10.662 3.027 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.429 3.233 -11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.999 1.257 -11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.071 0.969 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.231 -0.366 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.852 1.105 -11.753 1.00 0.00 H new ATOM 377 N GLN A 16 -13.789 2.942 -8.652 1.00 0.00 N ATOM 378 CA GLN A 16 -15.031 3.106 -7.907 1.00 0.00 C ATOM 379 C GLN A 16 -15.484 4.563 -7.918 1.00 0.00 C ATOM 380 O GLN A 16 -16.679 4.853 -7.833 1.00 0.00 O ATOM 381 CB GLN A 16 -14.852 2.628 -6.464 1.00 0.00 C ATOM 382 CG GLN A 16 -15.069 1.134 -6.288 1.00 0.00 C ATOM 383 CD GLN A 16 -15.989 0.811 -5.127 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.321 1.680 -4.320 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.408 -0.447 -5.034 1.00 0.00 N ATOM 0 H GLN A 16 -12.973 2.743 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.798 2.501 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.847 2.883 -6.127 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.549 3.166 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.489 0.721 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.107 0.647 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.109 -1.136 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.028 -0.723 -4.273 1.00 0.00 H new ATOM 394 N THR A 17 -14.525 5.477 -8.023 1.00 0.00 N ATOM 395 CA THR A 17 -14.825 6.905 -8.045 1.00 0.00 C ATOM 396 C THR A 17 -15.098 7.397 -9.467 1.00 0.00 C ATOM 397 O THR A 17 -15.232 8.597 -9.698 1.00 0.00 O ATOM 398 CB THR A 17 -13.667 7.695 -7.434 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.384 7.239 -6.123 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.932 9.183 -7.353 1.00 0.00 C ATOM 0 H THR A 17 -13.532 5.254 -8.094 1.00 0.00 H new ATOM 0 HA THR A 17 -15.726 7.066 -7.453 1.00 0.00 H new ATOM 0 HB THR A 17 -12.822 7.528 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.869 6.407 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.070 9.682 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.104 9.577 -8.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.812 9.363 -6.736 1.00 0.00 H new ATOM 408 N ALA A 18 -15.178 6.468 -10.417 1.00 0.00 N ATOM 409 CA ALA A 18 -15.434 6.822 -11.808 1.00 0.00 C ATOM 410 C ALA A 18 -16.928 6.995 -12.065 1.00 0.00 C ATOM 411 O ALA A 18 -17.749 6.242 -11.541 1.00 0.00 O ATOM 412 CB ALA A 18 -14.856 5.764 -12.738 1.00 0.00 C ATOM 0 H ALA A 18 -15.069 5.468 -10.248 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.944 7.775 -12.010 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.055 6.042 -13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.780 5.691 -12.582 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.319 4.800 -12.525 1.00 0.00 H new ATOM 418 N GLY A 19 -17.273 7.990 -12.876 1.00 0.00 N ATOM 419 CA GLY A 19 -18.668 8.242 -13.189 1.00 0.00 C ATOM 420 C GLY A 19 -19.041 9.706 -13.053 1.00 0.00 C ATOM 421 O GLY A 19 -19.994 10.170 -13.679 1.00 0.00 O ATOM 0 H GLY A 19 -16.612 8.626 -13.322 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.874 7.912 -14.207 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.298 7.647 -12.528 1.00 0.00 H new ATOM 425 N TYR A 20 -18.290 10.434 -12.233 1.00 0.00 N ATOM 426 CA TYR A 20 -18.548 11.853 -12.016 1.00 0.00 C ATOM 427 C TYR A 20 -17.851 12.702 -13.079 1.00 0.00 C ATOM 428 O TYR A 20 -16.756 12.367 -13.532 1.00 0.00 O ATOM 429 CB TYR A 20 -18.079 12.271 -10.621 1.00 0.00 C ATOM 430 CG TYR A 20 -18.545 11.340 -9.523 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.897 10.135 -9.285 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.636 11.666 -8.725 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.322 9.280 -8.285 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.067 10.817 -7.724 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.408 9.627 -7.509 1.00 0.00 C ATOM 436 OH TYR A 20 -19.836 8.778 -6.515 1.00 0.00 O ATOM 0 H TYR A 20 -17.498 10.065 -11.708 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.623 12.018 -12.093 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.990 12.316 -10.611 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.441 13.277 -10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.046 9.861 -9.891 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.155 12.598 -8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.807 8.347 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.916 11.085 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.148 8.101 -6.345 1.00 0.00 H new ATOM 446 N PRO A 21 -18.479 13.819 -13.491 1.00 0.00 N ATOM 447 CA PRO A 21 -17.913 14.714 -14.506 1.00 0.00 C ATOM 448 C PRO A 21 -16.682 15.460 -14.000 1.00 0.00 C ATOM 449 O PRO A 21 -16.680 16.687 -13.911 1.00 0.00 O ATOM 450 CB PRO A 21 -19.053 15.692 -14.794 1.00 0.00 C ATOM 451 CG PRO A 21 -19.880 15.688 -13.556 1.00 0.00 C ATOM 452 CD PRO A 21 -19.788 14.293 -13.004 1.00 0.00 C ATOM 0 HA PRO A 21 -17.571 14.168 -15.386 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.672 16.690 -15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.635 15.377 -15.660 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.510 16.418 -12.836 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.914 15.954 -13.776 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.838 14.288 -11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.602 13.664 -13.363 1.00 0.00 H new ATOM 460 N GLY A 22 -15.636 14.709 -13.671 1.00 0.00 N ATOM 461 CA GLY A 22 -14.414 15.316 -13.178 1.00 0.00 C ATOM 462 C GLY A 22 -13.642 14.390 -12.260 1.00 0.00 C ATOM 463 O GLY A 22 -13.078 14.829 -11.257 1.00 0.00 O ATOM 0 H GLY A 22 -15.613 13.691 -13.737 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.784 15.596 -14.022 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.657 16.234 -12.643 1.00 0.00 H new ATOM 467 N VAL A 23 -13.615 13.106 -12.602 1.00 0.00 N ATOM 468 CA VAL A 23 -12.908 12.118 -11.798 1.00 0.00 C ATOM 469 C VAL A 23 -11.454 11.994 -12.238 1.00 0.00 C ATOM 470 O VAL A 23 -11.165 11.668 -13.390 1.00 0.00 O ATOM 471 CB VAL A 23 -13.581 10.735 -11.883 1.00 0.00 C ATOM 472 CG1 VAL A 23 -12.900 9.748 -10.944 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.064 10.843 -11.567 1.00 0.00 C ATOM 0 H VAL A 23 -14.074 12.726 -13.430 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.945 12.465 -10.765 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.475 10.363 -12.902 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.390 8.777 -11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.851 9.647 -11.221 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.971 10.112 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.523 9.856 -11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.193 11.238 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.541 11.513 -12.283 1.00 0.00 H new ATOM 483 N HIS A 24 -10.543 12.254 -11.309 1.00 0.00 N ATOM 484 CA HIS A 24 -9.115 12.172 -11.587 1.00 0.00 C ATOM 485 C HIS A 24 -8.361 11.643 -10.371 1.00 0.00 C ATOM 486 O HIS A 24 -7.262 12.101 -10.061 1.00 0.00 O ATOM 487 CB HIS A 24 -8.570 13.545 -11.985 1.00 0.00 C ATOM 488 CG HIS A 24 -7.562 13.492 -13.091 1.00 0.00 C ATOM 489 ND1 HIS A 24 -7.386 14.515 -14.000 1.00 0.00 N ATOM 490 CD2 HIS A 24 -6.672 12.530 -13.433 1.00 0.00 C ATOM 491 CE1 HIS A 24 -6.433 14.184 -14.853 1.00 0.00 C ATOM 492 NE2 HIS A 24 -5.983 12.986 -14.530 1.00 0.00 N ATOM 0 H HIS A 24 -10.769 12.525 -10.352 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.967 11.480 -12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.400 14.181 -12.291 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.115 14.013 -11.112 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.531 11.582 -12.936 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.082 14.790 -15.675 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.243 12.480 -15.017 1.00 0.00 H new ATOM 501 N VAL A 25 -8.965 10.679 -9.686 1.00 0.00 N ATOM 502 CA VAL A 25 -8.359 10.087 -8.500 1.00 0.00 C ATOM 503 C VAL A 25 -7.094 9.314 -8.852 1.00 0.00 C ATOM 504 O VAL A 25 -7.155 8.156 -9.267 1.00 0.00 O ATOM 505 CB VAL A 25 -9.339 9.141 -7.781 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.768 8.694 -6.444 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.690 9.817 -7.593 1.00 0.00 C ATOM 0 H VAL A 25 -9.875 10.290 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.103 10.911 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.483 8.256 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.475 8.026 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.827 8.169 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.593 9.566 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.370 9.135 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.565 10.719 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.103 10.082 -8.566 1.00 0.00 H new ATOM 517 N SER A 26 -5.944 9.958 -8.676 1.00 0.00 N ATOM 518 CA SER A 26 -4.662 9.329 -8.967 1.00 0.00 C ATOM 519 C SER A 26 -3.584 9.813 -8.000 1.00 0.00 C ATOM 520 O SER A 26 -2.391 9.714 -8.283 1.00 0.00 O ATOM 521 CB SER A 26 -4.241 9.619 -10.409 1.00 0.00 C ATOM 522 OG SER A 26 -5.057 8.916 -11.330 1.00 0.00 O ATOM 0 H SER A 26 -5.875 10.916 -8.333 1.00 0.00 H new ATOM 0 HA SER A 26 -4.778 8.253 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.308 10.690 -10.602 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.198 9.334 -10.551 1.00 0.00 H new ATOM 0 HG SER A 26 -4.769 9.120 -12.244 1.00 0.00 H new ATOM 528 N ASP A 27 -4.018 10.332 -6.855 1.00 0.00 N ATOM 529 CA ASP A 27 -3.097 10.828 -5.838 1.00 0.00 C ATOM 530 C ASP A 27 -3.562 10.411 -4.446 1.00 0.00 C ATOM 531 O ASP A 27 -4.761 10.307 -4.189 1.00 0.00 O ATOM 532 CB ASP A 27 -2.980 12.351 -5.916 1.00 0.00 C ATOM 533 CG ASP A 27 -2.815 12.849 -7.339 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.755 12.581 -7.943 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.745 13.508 -7.848 1.00 0.00 O ATOM 0 H ASP A 27 -5.004 10.420 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.116 10.391 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.869 12.803 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.128 12.678 -5.319 1.00 0.00 H new ATOM 540 N LEU A 28 -2.612 10.167 -3.553 1.00 0.00 N ATOM 541 CA LEU A 28 -2.936 9.759 -2.191 1.00 0.00 C ATOM 542 C LEU A 28 -2.852 10.941 -1.231 1.00 0.00 C ATOM 543 O LEU A 28 -2.386 10.802 -0.101 1.00 0.00 O ATOM 544 CB LEU A 28 -1.994 8.644 -1.734 1.00 0.00 C ATOM 545 CG LEU A 28 -2.002 7.388 -2.611 1.00 0.00 C ATOM 546 CD1 LEU A 28 -0.692 7.257 -3.373 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.256 6.147 -1.768 1.00 0.00 C ATOM 0 H LEU A 28 -1.613 10.244 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.960 9.385 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.978 9.038 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.260 8.359 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.811 7.483 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.718 6.359 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.553 8.131 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.135 7.188 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.258 5.266 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.470 6.049 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.222 6.236 -1.271 1.00 0.00 H new ATOM 559 N SER A 29 -3.310 12.105 -1.685 1.00 0.00 N ATOM 560 CA SER A 29 -3.285 13.306 -0.858 1.00 0.00 C ATOM 561 C SER A 29 -4.089 14.439 -1.496 1.00 0.00 C ATOM 562 O SER A 29 -5.232 14.691 -1.117 1.00 0.00 O ATOM 563 CB SER A 29 -1.841 13.756 -0.622 1.00 0.00 C ATOM 564 OG SER A 29 -1.269 13.077 0.483 1.00 0.00 O ATOM 0 H SER A 29 -3.701 12.241 -2.617 1.00 0.00 H new ATOM 0 HA SER A 29 -3.746 13.062 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.247 13.567 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.816 14.831 -0.445 1.00 0.00 H new ATOM 0 HG SER A 29 -1.600 12.155 0.507 1.00 0.00 H new ATOM 570 N SER A 30 -3.479 15.124 -2.459 1.00 0.00 N ATOM 571 CA SER A 30 -4.132 16.238 -3.142 1.00 0.00 C ATOM 572 C SER A 30 -5.440 15.803 -3.799 1.00 0.00 C ATOM 573 O SER A 30 -6.329 16.623 -4.030 1.00 0.00 O ATOM 574 CB SER A 30 -3.196 16.834 -4.193 1.00 0.00 C ATOM 575 OG SER A 30 -3.892 17.724 -5.049 1.00 0.00 O ATOM 0 H SER A 30 -2.533 14.927 -2.785 1.00 0.00 H new ATOM 0 HA SER A 30 -4.366 16.995 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.380 17.362 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.748 16.033 -4.782 1.00 0.00 H new ATOM 0 HG SER A 30 -3.271 18.093 -5.711 1.00 0.00 H new ATOM 581 N SER A 31 -5.553 14.515 -4.103 1.00 0.00 N ATOM 582 CA SER A 31 -6.756 13.987 -4.737 1.00 0.00 C ATOM 583 C SER A 31 -7.944 14.031 -3.782 1.00 0.00 C ATOM 584 O SER A 31 -9.087 14.204 -4.205 1.00 0.00 O ATOM 585 CB SER A 31 -6.523 12.551 -5.211 1.00 0.00 C ATOM 586 OG SER A 31 -7.712 11.990 -5.741 1.00 0.00 O ATOM 0 H SER A 31 -4.830 13.819 -3.922 1.00 0.00 H new ATOM 0 HA SER A 31 -6.983 14.615 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.741 12.538 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.170 11.943 -4.378 1.00 0.00 H new ATOM 0 HG SER A 31 -8.212 11.546 -5.025 1.00 0.00 H new ATOM 592 N TRP A 32 -7.667 13.873 -2.492 1.00 0.00 N ATOM 593 CA TRP A 32 -8.717 13.894 -1.479 1.00 0.00 C ATOM 594 C TRP A 32 -8.888 15.288 -0.882 1.00 0.00 C ATOM 595 O TRP A 32 -9.527 15.452 0.156 1.00 0.00 O ATOM 596 CB TRP A 32 -8.398 12.891 -0.369 1.00 0.00 C ATOM 597 CG TRP A 32 -8.059 11.524 -0.881 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.956 11.169 -1.601 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.831 10.329 -0.712 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.994 9.826 -1.892 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.134 9.289 -1.356 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.041 10.037 -0.078 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.609 7.980 -1.384 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.512 8.737 -0.106 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.796 7.723 -0.755 1.00 0.00 C ATOM 0 H TRP A 32 -6.727 13.729 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.653 13.615 -1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.562 13.267 0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.254 12.818 0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.168 11.845 -1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.288 9.313 -2.421 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.599 10.813 0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.060 7.196 -1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.447 8.500 0.380 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.189 6.717 -0.759 1.00 0.00 H new ATOM 616 N ALA A 33 -8.318 16.295 -1.542 1.00 0.00 N ATOM 617 CA ALA A 33 -8.417 17.671 -1.066 1.00 0.00 C ATOM 618 C ALA A 33 -9.873 18.086 -0.881 1.00 0.00 C ATOM 619 O ALA A 33 -10.277 18.498 0.205 1.00 0.00 O ATOM 620 CB ALA A 33 -7.709 18.616 -2.025 1.00 0.00 C ATOM 0 H ALA A 33 -7.785 16.183 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.927 17.729 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.792 19.638 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.657 18.340 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.170 18.547 -3.010 1.00 0.00 H new ATOM 626 N ASP A 34 -10.659 17.974 -1.949 1.00 0.00 N ATOM 627 CA ASP A 34 -12.070 18.338 -1.896 1.00 0.00 C ATOM 628 C ASP A 34 -12.930 17.168 -1.410 1.00 0.00 C ATOM 629 O ASP A 34 -14.150 17.288 -1.309 1.00 0.00 O ATOM 630 CB ASP A 34 -12.554 18.807 -3.270 1.00 0.00 C ATOM 631 CG ASP A 34 -12.179 17.840 -4.376 1.00 0.00 C ATOM 632 OD1 ASP A 34 -12.152 16.619 -4.116 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.912 18.304 -5.506 1.00 0.00 O ATOM 0 H ASP A 34 -10.343 17.635 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.174 19.156 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.637 18.928 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.128 19.786 -3.487 1.00 0.00 H new ATOM 638 N GLY A 35 -12.288 16.040 -1.105 1.00 0.00 N ATOM 639 CA GLY A 35 -13.020 14.877 -0.631 1.00 0.00 C ATOM 640 C GLY A 35 -13.879 14.246 -1.709 1.00 0.00 C ATOM 641 O GLY A 35 -14.979 13.771 -1.435 1.00 0.00 O ATOM 0 H GLY A 35 -11.279 15.912 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.314 14.137 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.653 15.168 0.208 1.00 0.00 H new ATOM 645 N LEU A 36 -13.377 14.240 -2.939 1.00 0.00 N ATOM 646 CA LEU A 36 -14.110 13.662 -4.060 1.00 0.00 C ATOM 647 C LEU A 36 -14.079 12.137 -4.012 1.00 0.00 C ATOM 648 O LEU A 36 -15.055 11.476 -4.362 1.00 0.00 O ATOM 649 CB LEU A 36 -13.524 14.159 -5.385 1.00 0.00 C ATOM 650 CG LEU A 36 -14.443 15.077 -6.194 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.673 14.317 -6.667 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.846 16.288 -5.367 1.00 0.00 C ATOM 0 H LEU A 36 -12.467 14.628 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.149 13.982 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.595 14.691 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.267 13.295 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.898 15.426 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.315 14.985 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.365 13.482 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.221 13.939 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.499 16.931 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.373 15.958 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.954 16.845 -5.078 1.00 0.00 H new ATOM 664 N ALA A 37 -12.949 11.585 -3.584 1.00 0.00 N ATOM 665 CA ALA A 37 -12.789 10.138 -3.497 1.00 0.00 C ATOM 666 C ALA A 37 -13.667 9.543 -2.400 1.00 0.00 C ATOM 667 O ALA A 37 -14.350 8.543 -2.614 1.00 0.00 O ATOM 668 CB ALA A 37 -11.328 9.784 -3.256 1.00 0.00 C ATOM 0 H ALA A 37 -12.130 12.118 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.108 9.709 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.222 8.701 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.722 10.161 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.993 10.236 -2.323 1.00 0.00 H new ATOM 674 N LEU A 38 -13.638 10.160 -1.223 1.00 0.00 N ATOM 675 CA LEU A 38 -14.426 9.684 -0.091 1.00 0.00 C ATOM 676 C LEU A 38 -15.923 9.783 -0.379 1.00 0.00 C ATOM 677 O LEU A 38 -16.676 8.843 -0.123 1.00 0.00 O ATOM 678 CB LEU A 38 -14.085 10.485 1.167 1.00 0.00 C ATOM 679 CG LEU A 38 -14.714 9.962 2.459 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.969 8.732 2.955 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.723 11.049 3.524 1.00 0.00 C ATOM 0 H LEU A 38 -13.078 10.990 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.177 8.635 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.002 10.498 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.402 11.517 1.019 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.745 9.677 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.430 8.374 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.014 7.949 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.928 8.990 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.174 10.660 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.700 11.365 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.301 11.902 3.169 1.00 0.00 H new ATOM 693 N CYS A 39 -16.347 10.926 -0.910 1.00 0.00 N ATOM 694 CA CYS A 39 -17.755 11.138 -1.225 1.00 0.00 C ATOM 695 C CYS A 39 -18.182 10.281 -2.411 1.00 0.00 C ATOM 696 O CYS A 39 -19.287 9.738 -2.429 1.00 0.00 O ATOM 697 CB CYS A 39 -18.019 12.614 -1.527 1.00 0.00 C ATOM 698 SG CYS A 39 -17.591 13.733 -0.173 1.00 0.00 S ATOM 0 H CYS A 39 -15.739 11.715 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.342 10.843 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.452 12.900 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -19.074 12.741 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.348 14.096 -0.286 1.00 0.00 H new ATOM 704 N ALA A 40 -17.303 10.160 -3.400 1.00 0.00 N ATOM 705 CA ALA A 40 -17.593 9.365 -4.587 1.00 0.00 C ATOM 706 C ALA A 40 -17.944 7.930 -4.211 1.00 0.00 C ATOM 707 O ALA A 40 -18.844 7.325 -4.794 1.00 0.00 O ATOM 708 CB ALA A 40 -16.407 9.387 -5.539 1.00 0.00 C ATOM 0 H ALA A 40 -16.384 10.602 -3.403 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.455 9.805 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.637 8.789 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.201 10.414 -5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.531 8.973 -5.039 1.00 0.00 H new ATOM 714 N LEU A 41 -17.229 7.389 -3.230 1.00 0.00 N ATOM 715 CA LEU A 41 -17.467 6.025 -2.772 1.00 0.00 C ATOM 716 C LEU A 41 -18.797 5.931 -2.031 1.00 0.00 C ATOM 717 O LEU A 41 -19.639 5.090 -2.349 1.00 0.00 O ATOM 718 CB LEU A 41 -16.328 5.563 -1.863 1.00 0.00 C ATOM 719 CG LEU A 41 -14.971 5.411 -2.552 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.887 5.099 -1.532 1.00 0.00 C ATOM 721 CD2 LEU A 41 -15.035 4.326 -3.616 1.00 0.00 C ATOM 0 H LEU A 41 -16.480 7.875 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.508 5.374 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.225 6.275 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.603 4.606 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.722 6.354 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.928 4.994 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.826 5.910 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.128 4.169 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.062 4.230 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.306 3.377 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.784 4.592 -4.362 1.00 0.00 H new ATOM 733 N VAL A 42 -18.983 6.802 -1.043 1.00 0.00 N ATOM 734 CA VAL A 42 -20.212 6.818 -0.262 1.00 0.00 C ATOM 735 C VAL A 42 -21.423 7.061 -1.157 1.00 0.00 C ATOM 736 O VAL A 42 -22.496 6.501 -0.934 1.00 0.00 O ATOM 737 CB VAL A 42 -20.171 7.901 0.834 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.357 7.754 1.775 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.858 7.838 1.603 1.00 0.00 C ATOM 0 H VAL A 42 -18.298 7.505 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.300 5.840 0.211 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.236 8.878 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.311 8.527 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.284 7.857 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.327 6.772 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.849 8.611 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.757 6.859 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.026 7.999 0.917 1.00 0.00 H new ATOM 749 N TYR A 43 -21.239 7.898 -2.170 1.00 0.00 N ATOM 750 CA TYR A 43 -22.312 8.217 -3.107 1.00 0.00 C ATOM 751 C TYR A 43 -22.701 6.991 -3.924 1.00 0.00 C ATOM 752 O TYR A 43 -23.878 6.776 -4.216 1.00 0.00 O ATOM 753 CB TYR A 43 -21.885 9.352 -4.038 1.00 0.00 C ATOM 754 CG TYR A 43 -23.016 9.916 -4.865 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.395 9.318 -6.060 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.707 11.047 -4.450 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.430 9.831 -6.818 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.744 11.567 -5.202 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.101 10.955 -6.385 1.00 0.00 C ATOM 760 OH TYR A 43 -26.132 11.470 -7.137 1.00 0.00 O ATOM 0 H TYR A 43 -20.356 8.370 -2.365 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.180 8.538 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.447 10.153 -3.443 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.104 8.988 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -22.872 8.437 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -23.429 11.529 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -24.712 9.354 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -25.271 12.447 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.499 12.262 -6.691 1.00 0.00 H new ATOM 770 N ARG A 44 -21.706 6.191 -4.293 1.00 0.00 N ATOM 771 CA ARG A 44 -21.948 4.985 -5.079 1.00 0.00 C ATOM 772 C ARG A 44 -22.819 4.006 -4.302 1.00 0.00 C ATOM 773 O ARG A 44 -23.741 3.405 -4.855 1.00 0.00 O ATOM 774 CB ARG A 44 -20.624 4.324 -5.459 1.00 0.00 C ATOM 775 CG ARG A 44 -20.636 3.685 -6.838 1.00 0.00 C ATOM 776 CD ARG A 44 -20.440 4.720 -7.933 1.00 0.00 C ATOM 777 NE ARG A 44 -21.648 5.508 -8.162 1.00 0.00 N ATOM 778 CZ ARG A 44 -22.694 5.073 -8.864 1.00 0.00 C ATOM 779 NH1 ARG A 44 -22.684 3.860 -9.402 1.00 0.00 N ATOM 780 NH2 ARG A 44 -23.754 5.854 -9.025 1.00 0.00 N ATOM 0 H ARG A 44 -20.726 6.355 -4.061 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.473 5.269 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.831 5.071 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.382 3.563 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.847 2.935 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.582 3.166 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.620 5.384 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.152 4.220 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.694 6.445 -7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.872 3.254 -9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -23.488 3.533 -9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -23.768 6.786 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -24.555 5.522 -9.562 1.00 0.00 H new ATOM 794 N LEU A 45 -22.526 3.854 -3.015 1.00 0.00 N ATOM 795 CA LEU A 45 -23.291 2.953 -2.160 1.00 0.00 C ATOM 796 C LEU A 45 -24.586 3.620 -1.708 1.00 0.00 C ATOM 797 O LEU A 45 -25.621 2.968 -1.577 1.00 0.00 O ATOM 798 CB LEU A 45 -22.460 2.542 -0.942 1.00 0.00 C ATOM 799 CG LEU A 45 -21.433 1.439 -1.201 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.128 0.118 -1.488 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.518 1.824 -2.354 1.00 0.00 C ATOM 0 H LEU A 45 -21.766 4.342 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.539 2.060 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.939 3.421 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.137 2.210 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.825 1.318 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.381 -0.654 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.741 -0.164 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.762 0.224 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.793 1.028 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.112 1.974 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.992 2.747 -2.109 1.00 0.00 H new ATOM 813 N GLN A 46 -24.515 4.927 -1.478 1.00 0.00 N ATOM 814 CA GLN A 46 -25.675 5.698 -1.045 1.00 0.00 C ATOM 815 C GLN A 46 -25.678 7.076 -1.709 1.00 0.00 C ATOM 816 O GLN A 46 -25.082 8.023 -1.196 1.00 0.00 O ATOM 817 CB GLN A 46 -25.673 5.847 0.479 1.00 0.00 C ATOM 818 CG GLN A 46 -25.810 4.527 1.221 1.00 0.00 C ATOM 819 CD GLN A 46 -24.761 4.352 2.301 1.00 0.00 C ATOM 820 OE1 GLN A 46 -23.564 4.311 2.019 1.00 0.00 O ATOM 821 NE2 GLN A 46 -25.207 4.248 3.548 1.00 0.00 N ATOM 0 H GLN A 46 -23.662 5.477 -1.585 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.577 5.165 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.747 6.333 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.491 6.505 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -26.801 4.469 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -25.734 3.705 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -26.209 4.287 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -24.548 4.129 4.317 1.00 0.00 H new ATOM 830 N PRO A 47 -26.348 7.205 -2.869 1.00 0.00 N ATOM 831 CA PRO A 47 -26.420 8.474 -3.603 1.00 0.00 C ATOM 832 C PRO A 47 -27.163 9.551 -2.826 1.00 0.00 C ATOM 833 O PRO A 47 -26.669 10.667 -2.659 1.00 0.00 O ATOM 834 CB PRO A 47 -27.181 8.113 -4.883 1.00 0.00 C ATOM 835 CG PRO A 47 -27.931 6.870 -4.550 1.00 0.00 C ATOM 836 CD PRO A 47 -27.083 6.128 -3.558 1.00 0.00 C ATOM 0 HA PRO A 47 -25.429 8.889 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.858 8.915 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -26.497 7.950 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.908 7.105 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -28.105 6.268 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.691 5.547 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -26.406 5.430 -4.050 1.00 0.00 H new ATOM 844 N GLY A 48 -28.352 9.208 -2.353 1.00 0.00 N ATOM 845 CA GLY A 48 -29.150 10.152 -1.595 1.00 0.00 C ATOM 846 C GLY A 48 -28.471 10.587 -0.311 1.00 0.00 C ATOM 847 O GLY A 48 -28.843 11.598 0.285 1.00 0.00 O ATOM 0 H GLY A 48 -28.780 8.291 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.352 11.029 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.113 9.700 -1.358 1.00 0.00 H new ATOM 851 N LEU A 49 -27.474 9.817 0.123 1.00 0.00 N ATOM 852 CA LEU A 49 -26.743 10.126 1.349 1.00 0.00 C ATOM 853 C LEU A 49 -26.199 11.554 1.330 1.00 0.00 C ATOM 854 O LEU A 49 -26.623 12.397 2.120 1.00 0.00 O ATOM 855 CB LEU A 49 -25.597 9.131 1.541 1.00 0.00 C ATOM 856 CG LEU A 49 -25.436 8.592 2.963 1.00 0.00 C ATOM 857 CD1 LEU A 49 -24.284 7.600 3.035 1.00 0.00 C ATOM 858 CD2 LEU A 49 -25.225 9.736 3.943 1.00 0.00 C ATOM 0 H LEU A 49 -27.155 8.975 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 49 -27.438 10.043 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -25.750 8.289 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -24.665 9.612 1.244 1.00 0.00 H new ATOM 0 HG LEU A 49 -26.351 8.068 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -24.187 7.229 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -24.480 6.765 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -23.359 8.095 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -25.112 9.336 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -24.326 10.289 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -26.085 10.405 3.912 1.00 0.00 H new ATOM 870 N LEU A 50 -25.254 11.817 0.431 1.00 0.00 N ATOM 871 CA LEU A 50 -24.653 13.143 0.326 1.00 0.00 C ATOM 872 C LEU A 50 -24.541 13.589 -1.128 1.00 0.00 C ATOM 873 O LEU A 50 -24.528 12.767 -2.043 1.00 0.00 O ATOM 874 CB LEU A 50 -23.267 13.149 0.973 1.00 0.00 C ATOM 875 CG LEU A 50 -23.142 12.321 2.253 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.678 10.909 1.932 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.189 12.988 3.232 1.00 0.00 C ATOM 0 H LEU A 50 -24.890 11.133 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.303 13.843 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -22.543 12.778 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.993 14.180 1.198 1.00 0.00 H new ATOM 0 HG LEU A 50 -24.125 12.262 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.595 10.335 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -23.400 10.430 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -21.706 10.948 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.114 12.383 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.204 13.081 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.565 13.978 3.488 1.00 0.00 H new ATOM 889 N GLU A 51 -24.454 14.901 -1.328 1.00 0.00 N ATOM 890 CA GLU A 51 -24.336 15.469 -2.666 1.00 0.00 C ATOM 891 C GLU A 51 -22.924 16.008 -2.897 1.00 0.00 C ATOM 892 O GLU A 51 -22.681 17.207 -2.766 1.00 0.00 O ATOM 893 CB GLU A 51 -25.361 16.586 -2.860 1.00 0.00 C ATOM 894 CG GLU A 51 -26.768 16.201 -2.431 1.00 0.00 C ATOM 895 CD GLU A 51 -27.715 16.043 -3.604 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.483 15.140 -4.437 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.687 16.821 -3.692 1.00 0.00 O ATOM 0 H GLU A 51 -24.463 15.592 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.531 14.680 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.044 17.461 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.377 16.875 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -26.730 15.266 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.158 16.961 -1.754 1.00 0.00 H new ATOM 904 N PRO A 52 -21.971 15.123 -3.240 1.00 0.00 N ATOM 905 CA PRO A 52 -20.578 15.511 -3.484 1.00 0.00 C ATOM 906 C PRO A 52 -20.456 16.659 -4.476 1.00 0.00 C ATOM 907 O PRO A 52 -19.528 17.463 -4.397 1.00 0.00 O ATOM 908 CB PRO A 52 -19.929 14.239 -4.056 1.00 0.00 C ATOM 909 CG PRO A 52 -21.057 13.308 -4.355 1.00 0.00 C ATOM 910 CD PRO A 52 -22.166 13.677 -3.415 1.00 0.00 C ATOM 0 HA PRO A 52 -20.101 15.870 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.357 14.463 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.236 13.797 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.378 13.406 -5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.754 12.271 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.146 13.448 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.091 13.141 -2.469 1.00 0.00 H new ATOM 918 N SER A 53 -21.395 16.733 -5.412 1.00 0.00 N ATOM 919 CA SER A 53 -21.386 17.785 -6.421 1.00 0.00 C ATOM 920 C SER A 53 -21.332 19.166 -5.776 1.00 0.00 C ATOM 921 O SER A 53 -20.529 20.013 -6.163 1.00 0.00 O ATOM 922 CB SER A 53 -22.625 17.671 -7.313 1.00 0.00 C ATOM 923 OG SER A 53 -22.279 17.775 -8.683 1.00 0.00 O ATOM 0 H SER A 53 -22.172 16.077 -5.493 1.00 0.00 H new ATOM 0 HA SER A 53 -20.492 17.660 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.121 16.718 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.337 18.455 -7.054 1.00 0.00 H new ATOM 0 HG SER A 53 -23.087 17.697 -9.231 1.00 0.00 H new ATOM 929 N GLU A 54 -22.200 19.384 -4.798 1.00 0.00 N ATOM 930 CA GLU A 54 -22.262 20.662 -4.098 1.00 0.00 C ATOM 931 C GLU A 54 -21.051 20.868 -3.189 1.00 0.00 C ATOM 932 O GLU A 54 -20.404 21.911 -3.231 1.00 0.00 O ATOM 933 CB GLU A 54 -23.549 20.751 -3.277 1.00 0.00 C ATOM 934 CG GLU A 54 -24.719 21.347 -4.043 1.00 0.00 C ATOM 935 CD GLU A 54 -25.923 20.425 -4.081 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.743 19.226 -4.375 1.00 0.00 O ATOM 937 OE2 GLU A 54 -27.046 20.904 -3.815 1.00 0.00 O ATOM 0 H GLU A 54 -22.873 18.691 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.254 21.451 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.821 19.753 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.362 21.354 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -25.005 22.293 -3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.405 21.570 -5.063 1.00 0.00 H new ATOM 944 N LEU A 55 -20.756 19.868 -2.361 1.00 0.00 N ATOM 945 CA LEU A 55 -19.630 19.946 -1.435 1.00 0.00 C ATOM 946 C LEU A 55 -18.288 19.865 -2.162 1.00 0.00 C ATOM 947 O LEU A 55 -17.236 20.093 -1.564 1.00 0.00 O ATOM 948 CB LEU A 55 -19.722 18.827 -0.396 1.00 0.00 C ATOM 949 CG LEU A 55 -21.070 18.716 0.320 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.068 17.539 1.283 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.389 20.009 1.056 1.00 0.00 C ATOM 0 H LEU A 55 -21.281 18.995 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.684 20.914 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.510 17.878 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.943 18.981 0.351 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.845 18.545 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.035 17.476 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.884 16.617 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.283 17.679 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.351 19.913 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.612 20.209 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.433 20.832 0.343 1.00 0.00 H new ATOM 963 N GLN A 56 -18.325 19.532 -3.448 1.00 0.00 N ATOM 964 CA GLN A 56 -17.106 19.413 -4.242 1.00 0.00 C ATOM 965 C GLN A 56 -16.349 20.735 -4.297 1.00 0.00 C ATOM 966 O GLN A 56 -15.120 20.759 -4.227 1.00 0.00 O ATOM 967 CB GLN A 56 -17.447 18.937 -5.659 1.00 0.00 C ATOM 968 CG GLN A 56 -16.301 19.072 -6.652 1.00 0.00 C ATOM 969 CD GLN A 56 -16.663 18.560 -8.032 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.076 17.597 -8.524 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.636 19.206 -8.667 1.00 0.00 N ATOM 0 H GLN A 56 -19.184 19.340 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.460 18.678 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -17.755 17.892 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.301 19.506 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -16.007 20.119 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.436 18.523 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.096 20.000 -8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.922 18.908 -9.599 1.00 0.00 H new ATOM 980 N GLY A 57 -17.085 21.830 -4.425 1.00 0.00 N ATOM 981 CA GLY A 57 -16.455 23.136 -4.491 1.00 0.00 C ATOM 982 C GLY A 57 -16.849 24.036 -3.336 1.00 0.00 C ATOM 983 O GLY A 57 -16.172 25.026 -3.056 1.00 0.00 O ATOM 0 H GLY A 57 -18.103 21.839 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.372 23.012 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.726 23.618 -5.430 1.00 0.00 H new ATOM 987 N LEU A 58 -17.946 23.698 -2.663 1.00 0.00 N ATOM 988 CA LEU A 58 -18.422 24.487 -1.535 1.00 0.00 C ATOM 989 C LEU A 58 -17.329 24.651 -0.484 1.00 0.00 C ATOM 990 O LEU A 58 -17.261 25.671 0.202 1.00 0.00 O ATOM 991 CB LEU A 58 -19.655 23.830 -0.909 1.00 0.00 C ATOM 992 CG LEU A 58 -20.961 24.600 -1.106 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.627 24.198 -2.411 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.899 24.366 0.068 1.00 0.00 C ATOM 0 H LEU A 58 -18.520 22.883 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.695 25.475 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.771 22.832 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.480 23.706 0.160 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.729 25.664 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.555 24.757 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.959 24.418 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.846 23.130 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.824 24.922 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.124 23.302 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.423 24.706 0.988 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.474 23.640 -0.366 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.396 23.697 0.604 1.00 0.00 C ATOM 1008 C GLY A 59 -14.634 22.390 0.704 1.00 0.00 C ATOM 1009 O GLY A 59 -15.235 21.322 0.814 1.00 0.00 O ATOM 0 H GLY A 59 -16.508 22.786 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.707 24.495 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.805 23.951 1.582 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.309 22.476 0.670 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.466 21.291 0.759 1.00 0.00 C ATOM 1015 C ALA A 60 -12.705 20.549 2.070 1.00 0.00 C ATOM 1016 O ALA A 60 -13.200 19.421 2.075 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.001 21.676 0.628 1.00 0.00 C ATOM 0 H ALA A 60 -12.796 23.353 0.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.729 20.623 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.382 20.781 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.836 22.158 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.733 22.365 1.429 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.352 21.190 3.178 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.530 20.594 4.496 1.00 0.00 C ATOM 1025 C LEU A 61 -14.004 20.327 4.778 1.00 0.00 C ATOM 1026 O LEU A 61 -14.356 19.321 5.394 1.00 0.00 O ATOM 1027 CB LEU A 61 -11.946 21.508 5.575 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.952 20.926 6.990 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.693 21.332 7.741 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -13.194 21.376 7.745 1.00 0.00 C ATOM 0 H LEU A 61 -11.941 22.123 3.190 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.000 19.642 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.919 21.754 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.507 22.443 5.581 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.970 19.839 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.716 20.909 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.817 20.960 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.643 22.419 7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.182 20.953 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.206 22.464 7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.084 21.034 7.218 1.00 0.00 H new ATOM 1042 N GLU A 62 -14.863 21.236 4.328 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.300 21.103 4.533 1.00 0.00 C ATOM 1044 C GLU A 62 -16.830 19.817 3.902 1.00 0.00 C ATOM 1045 O GLU A 62 -17.613 19.092 4.516 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.033 22.312 3.948 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.313 23.405 4.965 1.00 0.00 C ATOM 1048 CD GLU A 62 -16.086 24.234 5.284 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -15.832 25.221 4.563 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -15.376 23.896 6.255 1.00 0.00 O ATOM 0 H GLU A 62 -14.587 22.075 3.818 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.483 21.058 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.438 22.728 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.977 21.980 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.099 24.058 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.690 22.954 5.883 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.403 19.544 2.674 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.840 18.347 1.962 1.00 0.00 C ATOM 1059 C ALA A 63 -16.373 17.082 2.673 1.00 0.00 C ATOM 1060 O ALA A 63 -17.132 16.123 2.817 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.322 18.367 0.532 1.00 0.00 C ATOM 0 H ALA A 63 -15.756 20.134 2.151 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.930 18.343 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.655 17.469 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.707 19.248 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.232 18.399 0.540 1.00 0.00 H new ATOM 1067 N THR A 64 -15.119 17.084 3.111 1.00 0.00 N ATOM 1068 CA THR A 64 -14.547 15.935 3.804 1.00 0.00 C ATOM 1069 C THR A 64 -15.208 15.720 5.163 1.00 0.00 C ATOM 1070 O THR A 64 -15.635 14.613 5.489 1.00 0.00 O ATOM 1071 CB THR A 64 -13.041 16.122 3.984 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.528 17.022 3.017 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.259 14.831 3.868 1.00 0.00 C ATOM 0 H THR A 64 -14.478 17.870 2.998 1.00 0.00 H new ATOM 0 HA THR A 64 -14.731 15.052 3.192 1.00 0.00 H new ATOM 0 HB THR A 64 -12.918 16.514 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.563 17.130 3.150 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.197 15.035 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.596 14.131 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.420 14.396 2.882 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.281 16.784 5.956 1.00 0.00 N ATOM 1082 CA ALA A 65 -15.882 16.709 7.284 1.00 0.00 C ATOM 1083 C ALA A 65 -17.339 16.268 7.212 1.00 0.00 C ATOM 1084 O ALA A 65 -17.784 15.432 7.999 1.00 0.00 O ATOM 1085 CB ALA A 65 -15.770 18.052 7.987 1.00 0.00 C ATOM 0 H ALA A 65 -14.932 17.708 5.703 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.336 15.960 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.222 17.983 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.719 18.324 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.289 18.813 7.403 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.081 16.834 6.266 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.489 16.495 6.097 1.00 0.00 C ATOM 1093 C TRP A 66 -19.649 15.053 5.626 1.00 0.00 C ATOM 1094 O TRP A 66 -20.570 14.351 6.041 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.151 17.446 5.098 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.608 17.669 5.367 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.151 18.560 6.247 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.710 16.988 4.755 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.523 18.475 6.220 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.889 17.517 5.311 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.812 15.982 3.789 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.155 17.074 4.934 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.070 15.544 3.415 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.225 16.089 3.986 1.00 0.00 C ATOM 0 H TRP A 66 -17.731 17.528 5.606 1.00 0.00 H new ATOM 0 HA TRP A 66 -19.979 16.599 7.065 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.633 18.405 5.122 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.032 17.045 4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -21.585 19.234 6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.164 19.033 6.784 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.926 15.555 3.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.048 17.492 5.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.162 14.768 2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.192 15.725 3.672 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.745 14.620 4.754 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.784 13.263 4.222 1.00 0.00 C ATOM 1117 C ALA A 67 -18.412 12.234 5.284 1.00 0.00 C ATOM 1118 O ALA A 67 -19.036 11.179 5.385 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.853 13.143 3.024 1.00 0.00 C ATOM 0 H ALA A 67 -17.976 15.189 4.401 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.806 13.058 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.890 12.126 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.168 13.840 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.834 13.377 3.331 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.387 12.545 6.068 1.00 0.00 N ATOM 1126 CA LEU A 68 -16.923 11.641 7.115 1.00 0.00 C ATOM 1127 C LEU A 68 -17.939 11.523 8.250 1.00 0.00 C ATOM 1128 O LEU A 68 -18.191 10.429 8.754 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.581 12.123 7.671 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.421 12.094 6.674 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.365 13.120 7.056 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -13.814 10.701 6.602 1.00 0.00 C ATOM 0 H LEU A 68 -16.861 13.416 5.999 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.801 10.654 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.701 13.143 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.318 11.506 8.530 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.807 12.350 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.547 13.086 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.808 14.116 7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.982 12.895 8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.990 10.699 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.442 10.415 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.574 9.989 6.281 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.510 12.652 8.657 1.00 0.00 N ATOM 1145 CA LYS A 69 -19.487 12.661 9.743 1.00 0.00 C ATOM 1146 C LYS A 69 -20.791 11.984 9.330 1.00 0.00 C ATOM 1147 O LYS A 69 -21.315 11.137 10.054 1.00 0.00 O ATOM 1148 CB LYS A 69 -19.765 14.100 10.188 1.00 0.00 C ATOM 1149 CG LYS A 69 -19.823 14.266 11.699 1.00 0.00 C ATOM 1150 CD LYS A 69 -20.699 15.442 12.096 1.00 0.00 C ATOM 1151 CE LYS A 69 -20.363 15.940 13.492 1.00 0.00 C ATOM 1152 NZ LYS A 69 -19.257 16.938 13.475 1.00 0.00 N ATOM 0 H LYS A 69 -18.315 13.569 8.254 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.065 12.098 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -18.989 14.752 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -20.711 14.429 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.210 13.353 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.816 14.413 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.569 16.252 11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.747 15.146 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.250 16.388 13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.080 15.095 14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.058 17.253 14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.403 16.503 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.536 17.756 12.896 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.312 12.359 8.167 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.557 11.783 7.667 1.00 0.00 C ATOM 1168 C VAL A 70 -22.374 10.319 7.289 1.00 0.00 C ATOM 1169 O VAL A 70 -23.206 9.478 7.625 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.092 12.562 6.452 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.446 12.021 6.017 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.180 14.047 6.768 1.00 0.00 C ATOM 0 H VAL A 70 -20.893 13.058 7.553 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.284 11.854 8.476 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.394 12.429 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.805 12.587 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.348 10.970 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.157 12.118 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.560 14.582 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.854 14.200 7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.189 14.424 7.022 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.282 10.012 6.595 1.00 0.00 N ATOM 1183 CA ALA A 71 -21.006 8.639 6.189 1.00 0.00 C ATOM 1184 C ALA A 71 -21.011 7.728 7.406 1.00 0.00 C ATOM 1185 O ALA A 71 -21.522 6.610 7.362 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.672 8.553 5.463 1.00 0.00 C ATOM 0 H ALA A 71 -20.578 10.691 6.304 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.787 8.313 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.484 7.521 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.700 9.185 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.875 8.892 6.125 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.454 8.233 8.499 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.402 7.490 9.747 1.00 0.00 C ATOM 1194 C GLU A 72 -21.798 7.368 10.347 1.00 0.00 C ATOM 1195 O GLU A 72 -22.144 6.346 10.937 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.462 8.183 10.739 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.465 7.557 12.125 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.841 8.544 13.212 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.054 8.769 13.416 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -18.926 9.094 13.860 1.00 0.00 O ATOM 0 H GLU A 72 -20.030 9.160 8.544 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.019 6.490 9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.447 8.159 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.747 9.232 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.165 6.722 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.477 7.149 12.337 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.590 8.428 10.203 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.944 8.444 10.746 1.00 0.00 C ATOM 1209 C ASN A 73 -24.899 7.592 9.909 1.00 0.00 C ATOM 1210 O ASN A 73 -25.731 6.866 10.452 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.461 9.883 10.821 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.714 10.332 12.247 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -25.839 10.261 12.741 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -23.667 10.799 12.916 1.00 0.00 N ATOM 0 H ASN A 73 -22.318 9.283 9.717 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.905 8.016 11.748 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.737 10.551 10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.384 9.965 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.777 11.117 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.752 10.840 12.467 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.780 7.692 8.590 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.640 6.934 7.685 1.00 0.00 C ATOM 1223 C GLU A 74 -25.149 5.501 7.499 1.00 0.00 C ATOM 1224 O GLU A 74 -25.944 4.560 7.481 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.731 7.638 6.330 1.00 0.00 C ATOM 1226 CG GLU A 74 -27.091 8.261 6.061 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.238 9.632 6.693 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.695 9.837 7.799 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.897 10.500 6.082 1.00 0.00 O ATOM 0 H GLU A 74 -24.098 8.289 8.123 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.631 6.887 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.968 8.415 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.506 6.921 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.243 8.343 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.871 7.603 6.444 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.838 5.340 7.344 1.00 0.00 N ATOM 1237 CA LEU A 75 -23.250 4.020 7.138 1.00 0.00 C ATOM 1238 C LEU A 75 -22.943 3.330 8.464 1.00 0.00 C ATOM 1239 O LEU A 75 -22.980 2.102 8.557 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.972 4.134 6.303 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.780 3.031 5.261 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.880 3.511 4.134 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -21.204 1.780 5.909 1.00 0.00 C ATOM 0 H LEU A 75 -23.164 6.105 7.357 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.980 3.413 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.973 5.098 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.115 4.130 6.976 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.754 2.783 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.755 2.712 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.332 4.378 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.906 3.788 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.074 1.006 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.239 2.014 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -21.886 1.423 6.681 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.640 4.120 9.487 1.00 0.00 N ATOM 1256 CA GLY A 76 -22.332 3.555 10.790 1.00 0.00 C ATOM 1257 C GLY A 76 -20.870 3.174 10.926 1.00 0.00 C ATOM 1258 O GLY A 76 -20.526 2.278 11.700 1.00 0.00 O ATOM 0 H GLY A 76 -22.602 5.138 9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.590 4.276 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.951 2.673 10.956 1.00 0.00 H new ATOM 1262 N ILE A 77 -20.008 3.852 10.176 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.575 3.577 10.219 1.00 0.00 C ATOM 1264 C ILE A 77 -17.824 4.694 10.941 1.00 0.00 C ATOM 1265 O ILE A 77 -17.953 5.867 10.593 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.991 3.403 8.802 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -16.521 2.983 8.879 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -18.137 4.688 7.998 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.904 2.692 7.529 1.00 0.00 C ATOM 0 H ILE A 77 -20.276 4.596 9.531 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.446 2.644 10.768 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.550 2.617 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.951 3.773 9.367 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.437 2.096 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -17.719 4.543 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -19.192 4.947 7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -17.604 5.495 8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.862 2.401 7.660 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.450 1.881 7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.955 3.585 6.905 1.00 0.00 H new ATOM 1281 N THR A 78 -17.041 4.318 11.947 1.00 0.00 N ATOM 1282 CA THR A 78 -16.272 5.287 12.721 1.00 0.00 C ATOM 1283 C THR A 78 -15.073 5.799 11.923 1.00 0.00 C ATOM 1284 O THR A 78 -14.362 5.017 11.291 1.00 0.00 O ATOM 1285 CB THR A 78 -15.794 4.659 14.031 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.735 3.715 14.507 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.564 5.673 15.131 1.00 0.00 C ATOM 0 H THR A 78 -16.922 3.350 12.246 1.00 0.00 H new ATOM 0 HA THR A 78 -16.923 6.132 12.945 1.00 0.00 H new ATOM 0 HB THR A 78 -14.843 4.183 13.793 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.410 3.323 15.345 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.226 5.162 16.032 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.805 6.388 14.814 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.495 6.200 15.340 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.829 7.124 11.938 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.706 7.728 11.211 1.00 0.00 C ATOM 1297 C PRO A 79 -12.362 7.145 11.634 1.00 0.00 C ATOM 1298 O PRO A 79 -12.233 6.577 12.719 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.783 9.212 11.586 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.187 9.425 12.031 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.621 8.135 12.663 1.00 0.00 C ATOM 0 HA PRO A 79 -13.776 7.544 10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.076 9.456 12.379 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.538 9.847 10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.250 10.249 12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.829 9.682 11.188 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.412 8.120 13.733 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.692 7.969 12.545 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.364 7.289 10.770 1.00 0.00 N ATOM 1310 CA VAL A 80 -10.026 6.779 11.053 1.00 0.00 C ATOM 1311 C VAL A 80 -8.996 7.905 11.092 1.00 0.00 C ATOM 1312 O VAL A 80 -7.964 7.789 11.754 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.590 5.737 10.005 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.287 5.072 10.423 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.684 4.700 9.797 1.00 0.00 C ATOM 0 H VAL A 80 -11.455 7.755 9.867 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.073 6.304 12.033 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.422 6.249 9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.995 4.339 9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.507 5.827 10.516 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.425 4.572 11.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.359 3.972 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.886 4.191 10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.592 5.193 9.449 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.278 8.993 10.382 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.372 10.135 10.341 1.00 0.00 C ATOM 1327 C VAL A 81 -9.148 11.449 10.277 1.00 0.00 C ATOM 1328 O VAL A 81 -10.314 11.474 9.884 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.419 10.050 9.132 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -8.201 10.059 7.827 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.407 11.187 9.166 1.00 0.00 C ATOM 0 H VAL A 81 -10.126 9.108 9.828 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.784 10.110 11.259 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.874 9.108 9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.509 9.998 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.877 9.204 7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.778 10.981 7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.744 11.109 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.932 12.142 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.820 11.125 10.083 1.00 0.00 H new ATOM 1341 N SER A 82 -8.492 12.537 10.668 1.00 0.00 N ATOM 1342 CA SER A 82 -9.120 13.854 10.657 1.00 0.00 C ATOM 1343 C SER A 82 -9.163 14.428 9.243 1.00 0.00 C ATOM 1344 O SER A 82 -8.262 14.191 8.438 1.00 0.00 O ATOM 1345 CB SER A 82 -8.368 14.809 11.586 1.00 0.00 C ATOM 1346 OG SER A 82 -8.575 14.468 12.944 1.00 0.00 O ATOM 0 H SER A 82 -7.526 12.533 10.996 1.00 0.00 H new ATOM 0 HA SER A 82 -10.144 13.742 11.014 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.302 14.778 11.359 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.702 15.831 11.410 1.00 0.00 H new ATOM 0 HG SER A 82 -8.082 15.092 13.517 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.216 15.182 8.950 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.380 15.792 7.635 1.00 0.00 C ATOM 1354 C ALA A 83 -9.213 16.717 7.308 1.00 0.00 C ATOM 1355 O ALA A 83 -8.695 16.706 6.192 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.695 16.554 7.569 1.00 0.00 C ATOM 0 H ALA A 83 -10.970 15.386 9.606 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.396 14.995 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.805 17.005 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.523 15.868 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.701 17.336 8.328 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.807 17.521 8.287 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.701 18.456 8.102 1.00 0.00 C ATOM 1364 C GLN A 84 -6.449 17.734 7.618 1.00 0.00 C ATOM 1365 O GLN A 84 -5.703 18.251 6.787 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.407 19.193 9.410 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.289 20.214 9.295 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.593 20.468 10.620 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.967 19.906 11.648 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -4.574 21.318 10.599 1.00 0.00 N ATOM 0 H GLN A 84 -9.227 17.544 9.216 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.994 19.180 7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.314 19.696 9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.145 18.464 10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.558 19.866 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.696 21.152 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.298 21.762 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.067 21.528 11.459 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.221 16.535 8.145 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.059 15.742 7.765 1.00 0.00 C ATOM 1381 C ALA A 85 -5.169 15.263 6.323 1.00 0.00 C ATOM 1382 O ALA A 85 -4.188 15.269 5.578 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.898 14.558 8.708 1.00 0.00 C ATOM 0 H ALA A 85 -6.826 16.092 8.836 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.176 16.376 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.026 13.974 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.764 14.920 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.788 13.931 8.660 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.369 14.844 5.934 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.610 14.359 4.580 1.00 0.00 C ATOM 1391 C VAL A 86 -6.466 15.481 3.556 1.00 0.00 C ATOM 1392 O VAL A 86 -5.784 15.325 2.543 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.012 13.736 4.448 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.171 13.060 3.096 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.268 12.752 5.579 1.00 0.00 C ATOM 0 H VAL A 86 -7.191 14.831 6.538 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.859 13.594 4.382 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.752 14.533 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.168 12.626 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.035 13.796 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.424 12.273 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.264 12.322 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.523 11.957 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.201 13.271 6.535 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.116 16.609 3.824 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.061 17.754 2.924 1.00 0.00 C ATOM 1407 C VAL A 87 -5.633 18.270 2.771 1.00 0.00 C ATOM 1408 O VAL A 87 -5.240 18.731 1.699 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.963 18.901 3.422 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.499 19.397 4.784 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -7.990 20.042 2.413 1.00 0.00 C ATOM 0 H VAL A 87 -7.687 16.754 4.657 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.422 17.412 1.954 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.977 18.516 3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.149 20.206 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.541 18.579 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.475 19.762 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.632 20.841 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.980 20.425 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.377 19.677 1.462 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.863 18.189 3.849 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.479 18.648 3.836 1.00 0.00 C ATOM 1423 C ALA A 88 -2.537 17.575 3.291 1.00 0.00 C ATOM 1424 O ALA A 88 -1.381 17.858 2.975 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.050 19.066 5.235 1.00 0.00 C ATOM 0 H ALA A 88 -5.173 17.810 4.744 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.420 19.510 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.015 19.407 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.690 19.875 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.137 18.216 5.911 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.034 16.346 3.183 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.217 15.259 2.676 1.00 0.00 C ATOM 1433 C GLY A 89 -0.963 15.041 3.500 1.00 0.00 C ATOM 1434 O GLY A 89 0.045 14.553 2.991 1.00 0.00 O ATOM 0 H GLY A 89 -3.987 16.084 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.805 14.341 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.937 15.470 1.644 1.00 0.00 H new ATOM 1438 N SER A 90 -1.027 15.405 4.777 1.00 0.00 N ATOM 1439 CA SER A 90 0.113 15.245 5.674 1.00 0.00 C ATOM 1440 C SER A 90 -0.087 14.052 6.603 1.00 0.00 C ATOM 1441 O SER A 90 0.395 14.047 7.736 1.00 0.00 O ATOM 1442 CB SER A 90 0.323 16.518 6.497 1.00 0.00 C ATOM 1443 OG SER A 90 0.744 17.593 5.676 1.00 0.00 O ATOM 0 H SER A 90 -1.854 15.812 5.214 1.00 0.00 H new ATOM 0 HA SER A 90 0.999 15.063 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.605 16.785 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.067 16.335 7.272 1.00 0.00 H new ATOM 0 HG SER A 90 0.869 18.395 6.226 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.800 13.042 6.115 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.064 11.842 6.900 1.00 0.00 C ATOM 1451 C ASP A 91 -1.446 10.673 5.995 1.00 0.00 C ATOM 1452 O ASP A 91 -2.600 10.244 5.972 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.179 12.107 7.915 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.640 12.500 9.276 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.823 11.738 9.833 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.036 13.570 9.785 1.00 0.00 O ATOM 0 H ASP A 91 -1.205 13.031 5.179 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.152 11.578 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.826 12.900 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.795 11.213 8.015 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.475 10.140 5.232 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.713 9.015 4.321 1.00 0.00 C ATOM 1463 C PRO A 92 -1.164 7.758 5.059 1.00 0.00 C ATOM 1464 O PRO A 92 -2.058 7.046 4.604 1.00 0.00 O ATOM 1465 CB PRO A 92 0.650 8.787 3.658 1.00 0.00 C ATOM 1466 CG PRO A 92 1.639 9.425 4.573 1.00 0.00 C ATOM 1467 CD PRO A 92 0.927 10.589 5.198 1.00 0.00 C ATOM 0 HA PRO A 92 -1.511 9.232 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.856 7.724 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.685 9.235 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.979 8.721 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.522 9.755 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.306 10.805 6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.045 11.498 4.609 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.536 7.490 6.200 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.872 6.316 7.000 1.00 0.00 C ATOM 1477 C LEU A 93 -2.343 6.332 7.403 1.00 0.00 C ATOM 1478 O LEU A 93 -2.991 5.288 7.464 1.00 0.00 O ATOM 1479 CB LEU A 93 0.011 6.256 8.248 1.00 0.00 C ATOM 1480 CG LEU A 93 0.330 4.846 8.748 1.00 0.00 C ATOM 1481 CD1 LEU A 93 1.747 4.784 9.300 1.00 0.00 C ATOM 1482 CD2 LEU A 93 -0.675 4.415 9.804 1.00 0.00 C ATOM 0 H LEU A 93 0.207 8.069 6.591 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.692 5.429 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.948 6.771 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.481 6.807 9.050 1.00 0.00 H new ATOM 0 HG LEU A 93 0.259 4.157 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.957 3.774 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.455 5.050 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.845 5.484 10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.433 3.410 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.637 5.106 10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.677 4.420 9.376 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.863 7.524 7.678 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.254 7.653 8.071 1.00 0.00 C ATOM 1496 C GLY A 94 -5.208 7.454 6.911 1.00 0.00 C ATOM 1497 O GLY A 94 -6.259 6.832 7.062 1.00 0.00 O ATOM 0 H GLY A 94 -2.346 8.402 7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.477 6.923 8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.415 8.640 8.504 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.842 7.987 5.748 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.676 7.866 4.557 1.00 0.00 C ATOM 1503 C LEU A 95 -5.866 6.401 4.170 1.00 0.00 C ATOM 1504 O LEU A 95 -6.972 5.980 3.828 1.00 0.00 O ATOM 1505 CB LEU A 95 -5.052 8.637 3.393 1.00 0.00 C ATOM 1506 CG LEU A 95 -6.044 9.421 2.532 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.318 10.470 1.703 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.830 8.479 1.634 1.00 0.00 C ATOM 0 H LEU A 95 -3.975 8.506 5.606 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.654 8.291 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.312 9.331 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.518 7.933 2.755 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.746 9.931 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.039 11.018 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.800 11.163 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.593 9.981 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.531 9.054 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.143 7.941 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.381 7.766 2.248 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.785 5.632 4.228 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.837 4.215 3.885 1.00 0.00 C ATOM 1522 C ILE A 96 -5.670 3.438 4.899 1.00 0.00 C ATOM 1523 O ILE A 96 -6.451 2.560 4.534 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.424 3.600 3.812 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.544 4.403 2.850 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.499 2.143 3.377 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -3.006 4.337 1.410 1.00 0.00 C ATOM 0 H ILE A 96 -3.863 5.965 4.509 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.304 4.142 2.903 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.977 3.639 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.527 5.445 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.521 4.033 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.493 1.725 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.094 1.579 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.963 2.081 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.336 4.928 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.997 3.301 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.018 4.734 1.334 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.500 3.769 6.176 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.237 3.104 7.242 1.00 0.00 C ATOM 1541 C ALA A 97 -7.742 3.262 7.049 1.00 0.00 C ATOM 1542 O ALA A 97 -8.511 2.331 7.289 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.816 3.653 8.596 1.00 0.00 C ATOM 0 H ALA A 97 -4.858 4.494 6.496 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.002 2.040 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.375 3.147 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.749 3.483 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.022 4.723 8.635 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.154 4.446 6.609 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.567 4.727 6.381 1.00 0.00 C ATOM 1551 C TYR A 98 -10.091 3.940 5.185 1.00 0.00 C ATOM 1552 O TYR A 98 -11.192 3.391 5.224 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.778 6.226 6.151 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.224 6.655 6.248 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -12.157 6.242 5.305 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.658 7.475 7.283 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -13.480 6.634 5.389 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.979 7.869 7.375 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.885 7.447 6.426 1.00 0.00 C ATOM 1560 OH TYR A 98 -15.202 7.838 6.515 1.00 0.00 O ATOM 0 H TYR A 98 -7.530 5.226 6.403 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.122 4.419 7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.192 6.783 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.394 6.492 5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.843 5.604 4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.951 7.810 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.192 6.305 4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.300 8.505 8.187 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.768 7.192 6.043 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.294 3.889 4.123 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.678 3.169 2.913 1.00 0.00 C ATOM 1572 C LEU A 99 -9.843 1.680 3.196 1.00 0.00 C ATOM 1573 O LEU A 99 -10.699 1.018 2.609 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.631 3.384 1.815 1.00 0.00 C ATOM 1575 CG LEU A 99 -9.181 3.920 0.493 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.080 4.597 -0.307 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.817 2.796 -0.312 1.00 0.00 C ATOM 0 H LEU A 99 -8.379 4.337 4.075 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.636 3.561 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.876 4.078 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.127 2.437 1.624 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.949 4.662 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.490 4.972 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.670 5.427 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.289 3.877 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.204 3.194 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.069 2.031 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.634 2.356 0.260 1.00 0.00 H new ATOM 1589 N SER A 100 -9.019 1.158 4.100 1.00 0.00 N ATOM 1590 CA SER A 100 -9.075 -0.254 4.461 1.00 0.00 C ATOM 1591 C SER A 100 -10.446 -0.619 5.019 1.00 0.00 C ATOM 1592 O SER A 100 -10.992 -1.677 4.709 1.00 0.00 O ATOM 1593 CB SER A 100 -7.990 -0.582 5.488 1.00 0.00 C ATOM 1594 OG SER A 100 -6.725 -0.723 4.865 1.00 0.00 O ATOM 0 H SER A 100 -8.305 1.692 4.596 1.00 0.00 H new ATOM 0 HA SER A 100 -8.902 -0.841 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.944 0.208 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.246 -1.503 6.011 1.00 0.00 H new ATOM 0 HG SER A 100 -6.048 -0.931 5.542 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.999 0.265 5.844 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.306 0.036 6.446 1.00 0.00 C ATOM 1602 C HIS A 101 -13.411 0.128 5.398 1.00 0.00 C ATOM 1603 O HIS A 101 -14.314 -0.708 5.356 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.560 1.048 7.565 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.799 0.414 8.901 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.326 -0.852 9.050 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.576 0.877 10.155 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -13.420 -1.140 10.337 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -12.971 -0.107 11.028 1.00 0.00 N ATOM 0 H HIS A 101 -10.561 1.147 6.110 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.314 -0.969 6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.704 1.719 7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.423 1.659 7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.164 1.840 10.419 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.799 -2.062 10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.925 -0.050 12.045 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.332 1.149 4.550 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.326 1.350 3.501 1.00 0.00 C ATOM 1620 C PHE A 102 -14.231 0.252 2.446 1.00 0.00 C ATOM 1621 O PHE A 102 -15.247 -0.257 1.973 1.00 0.00 O ATOM 1622 CB PHE A 102 -14.139 2.722 2.849 1.00 0.00 C ATOM 1623 CG PHE A 102 -15.276 3.669 3.108 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.490 4.186 4.376 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -16.131 4.041 2.084 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.535 5.057 4.618 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -17.179 4.911 2.318 1.00 0.00 C ATOM 1628 CZ PHE A 102 -17.381 5.421 3.588 1.00 0.00 C ATOM 0 H PHE A 102 -12.591 1.849 4.569 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.315 1.305 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.215 3.167 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.023 2.591 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.832 3.905 5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.977 3.646 1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.690 5.453 5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.839 5.192 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 102 -18.198 6.102 3.774 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.006 -0.110 2.083 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.780 -1.149 1.085 1.00 0.00 C ATOM 1640 C HIS A 103 -13.267 -2.503 1.589 1.00 0.00 C ATOM 1641 O HIS A 103 -13.906 -3.257 0.854 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.295 -1.228 0.728 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.004 -2.142 -0.423 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.834 -2.729 -1.318 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -9.730 -2.547 -0.760 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.053 -3.470 -2.170 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -9.788 -3.344 -1.813 1.00 0.00 N flip ATOM 0 H HIS A 103 -12.154 0.301 2.465 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.348 -0.889 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.934 -0.228 0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.737 -1.567 1.601 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.849 -2.638 -1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.826 -2.258 -0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.415 -4.061 -2.999 1.00 0.00 H new ATOM 1656 N SER A 104 -12.961 -2.806 2.846 1.00 0.00 N ATOM 1657 CA SER A 104 -13.368 -4.069 3.448 1.00 0.00 C ATOM 1658 C SER A 104 -14.886 -4.151 3.570 1.00 0.00 C ATOM 1659 O SER A 104 -15.480 -5.210 3.364 1.00 0.00 O ATOM 1660 CB SER A 104 -12.724 -4.232 4.827 1.00 0.00 C ATOM 1661 OG SER A 104 -11.481 -4.905 4.733 1.00 0.00 O ATOM 0 H SER A 104 -12.432 -2.194 3.467 1.00 0.00 H new ATOM 0 HA SER A 104 -13.030 -4.877 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.577 -3.252 5.281 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.394 -4.789 5.481 1.00 0.00 H new ATOM 0 HG SER A 104 -11.089 -4.995 5.627 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.508 -3.026 3.906 1.00 0.00 N ATOM 1668 CA ALA A 105 -16.958 -2.970 4.056 1.00 0.00 C ATOM 1669 C ALA A 105 -17.652 -3.004 2.699 1.00 0.00 C ATOM 1670 O ALA A 105 -18.709 -3.616 2.546 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.360 -1.720 4.826 1.00 0.00 C ATOM 0 H ALA A 105 -15.031 -2.141 4.080 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.275 -3.848 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.445 -1.690 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.900 -1.738 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.024 -0.836 4.285 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.050 -2.343 1.715 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.610 -2.296 0.370 1.00 0.00 C ATOM 1679 C PHE A 106 -17.604 -3.680 -0.271 1.00 0.00 C ATOM 1680 O PHE A 106 -18.487 -4.013 -1.061 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.818 -1.315 -0.498 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.246 0.117 -0.334 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.620 0.607 0.908 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.268 0.972 -1.422 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.011 1.925 1.058 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.657 2.289 -1.279 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.028 2.767 -0.037 1.00 0.00 C ATOM 0 H PHE A 106 -16.174 -1.832 1.825 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.643 -1.955 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.759 -1.399 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.926 -1.600 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.606 -0.047 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.977 0.604 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.303 2.295 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.671 2.945 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.331 3.797 0.078 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.603 -4.484 0.073 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.483 -5.832 -0.467 1.00 0.00 C ATOM 1699 C LYS A 107 -17.669 -6.695 -0.048 1.00 0.00 C ATOM 1700 O LYS A 107 -18.079 -7.600 -0.776 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.178 -6.478 -0.001 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.027 -6.304 -0.980 1.00 0.00 C ATOM 1703 CD LYS A 107 -12.696 -6.670 -0.346 1.00 0.00 C ATOM 1704 CE LYS A 107 -11.682 -7.108 -1.390 1.00 0.00 C ATOM 1705 NZ LYS A 107 -10.287 -7.036 -0.874 1.00 0.00 N ATOM 0 H LYS A 107 -15.862 -4.224 0.724 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.476 -5.760 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.894 -6.050 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.347 -7.542 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.197 -6.928 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.995 -5.271 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.306 -5.813 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.845 -7.472 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.901 -8.129 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.775 -6.477 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.626 -7.343 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.069 -6.057 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.191 -7.658 -0.046 1.00 0.00 H new