USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -0.851 K(o=-2.1,f=-3) USER MOD Set 1.2: A 76 MET CE :methyl -154:sc= -1.21 (180deg=-0.818) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0263 (180deg=-0.264) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.565 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.321) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 177:sc= -1.65 (180deg=-1.65) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0552 USER MOD Single : A 38 CYS SG : rot 180:sc= -2.23! USER MOD Single : A 43 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.0079) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.45 X(o=-2.4,f=-2.4!) USER MOD Single : A 51 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -4.15! C(o=-4.1!,f=-6.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.181 USER MOD Single : A 67 SER OG : rot 1:sc= 0.879 USER MOD Single : A 69 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= -5.65! (180deg=-7.99!) USER MOD Single : A 82 MET CE :methyl 142:sc= -1.07 (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.576 4.865 -27.952 1.00 0.00 N ATOM 179 CA LYS A 15 21.748 5.352 -28.669 1.00 0.00 C ATOM 180 C LYS A 15 21.792 6.876 -28.668 1.00 0.00 C ATOM 181 O LYS A 15 22.845 7.475 -28.885 1.00 0.00 O ATOM 182 CB LYS A 15 21.744 4.831 -30.108 1.00 0.00 C ATOM 183 CG LYS A 15 22.522 5.708 -31.074 1.00 0.00 C ATOM 184 CD LYS A 15 22.851 4.967 -32.358 1.00 0.00 C ATOM 185 CE LYS A 15 24.061 4.062 -32.185 1.00 0.00 C ATOM 186 NZ LYS A 15 25.319 4.842 -32.020 1.00 0.00 N ATOM 0 HA LYS A 15 22.636 4.981 -28.158 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.165 3.826 -30.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.713 4.750 -30.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.940 6.600 -31.306 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.444 6.044 -30.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.991 4.372 -32.666 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.044 5.685 -33.155 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.914 3.422 -31.315 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.151 3.407 -33.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 26.135 4.231 -32.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 25.316 5.649 -32.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 25.385 5.191 -31.043 1.00 0.00 H new ATOM 200 N GLU A 16 20.643 7.497 -28.422 1.00 0.00 N ATOM 201 CA GLU A 16 20.552 8.952 -28.393 1.00 0.00 C ATOM 202 C GLU A 16 20.294 9.453 -26.975 1.00 0.00 C ATOM 203 O GLU A 16 21.032 10.290 -26.456 1.00 0.00 O ATOM 204 CB GLU A 16 19.440 9.435 -29.326 1.00 0.00 C ATOM 205 CG GLU A 16 18.327 8.419 -29.523 1.00 0.00 C ATOM 206 CD GLU A 16 17.015 9.063 -29.927 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.918 9.540 -31.078 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.085 9.090 -29.095 1.00 0.00 O ATOM 0 H GLU A 16 19.762 7.015 -28.240 1.00 0.00 H new ATOM 0 HA GLU A 16 21.505 9.356 -28.735 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.014 10.355 -28.925 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.872 9.681 -30.296 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.626 7.702 -30.287 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.183 7.859 -28.599 1.00 0.00 H new ATOM 215 N VAL A 17 19.240 8.934 -26.353 1.00 0.00 N ATOM 216 CA VAL A 17 18.883 9.326 -24.995 1.00 0.00 C ATOM 217 C VAL A 17 19.012 10.834 -24.807 1.00 0.00 C ATOM 218 O VAL A 17 19.217 11.316 -23.693 1.00 0.00 O ATOM 219 CB VAL A 17 19.767 8.613 -23.954 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.176 9.185 -23.968 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.151 8.724 -22.568 1.00 0.00 C ATOM 0 H VAL A 17 18.618 8.240 -26.769 1.00 0.00 H new ATOM 0 HA VAL A 17 17.845 9.031 -24.843 1.00 0.00 H new ATOM 0 HB VAL A 17 19.828 7.557 -24.216 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.786 8.669 -23.226 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.614 9.048 -24.957 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.139 10.248 -23.731 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.788 8.215 -21.845 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.059 9.775 -22.294 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.164 8.262 -22.570 1.00 0.00 H new ATOM 231 N VAL A 18 18.890 11.574 -25.904 1.00 0.00 N ATOM 232 CA VAL A 18 18.991 13.028 -25.861 1.00 0.00 C ATOM 233 C VAL A 18 17.678 13.683 -26.274 1.00 0.00 C ATOM 234 O VAL A 18 17.256 14.678 -25.685 1.00 0.00 O ATOM 235 CB VAL A 18 20.118 13.540 -26.778 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.478 13.134 -26.231 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.928 13.021 -28.196 1.00 0.00 C ATOM 0 H VAL A 18 18.721 11.190 -26.834 1.00 0.00 H new ATOM 0 HA VAL A 18 19.220 13.299 -24.830 1.00 0.00 H new ATOM 0 HB VAL A 18 20.074 14.629 -26.805 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.261 13.505 -26.892 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.612 13.559 -25.236 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.537 12.047 -26.172 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.733 13.392 -28.830 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.944 11.931 -28.190 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.970 13.367 -28.585 1.00 0.00 H new ATOM 247 N TYR A 19 17.035 13.117 -27.289 1.00 0.00 N ATOM 248 CA TYR A 19 15.770 13.647 -27.783 1.00 0.00 C ATOM 249 C TYR A 19 14.597 13.100 -26.975 1.00 0.00 C ATOM 250 O TYR A 19 13.436 13.370 -27.284 1.00 0.00 O ATOM 251 CB TYR A 19 15.590 13.300 -29.262 1.00 0.00 C ATOM 252 CG TYR A 19 16.820 13.566 -30.100 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.080 14.835 -30.604 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.722 12.549 -30.389 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.202 15.082 -31.371 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.847 12.788 -31.153 1.00 0.00 C ATOM 257 CZ TYR A 19 19.083 14.056 -31.642 1.00 0.00 C ATOM 258 OH TYR A 19 20.202 14.298 -32.406 1.00 0.00 O ATOM 0 H TYR A 19 17.369 12.291 -27.786 1.00 0.00 H new ATOM 0 HA TYR A 19 15.791 14.731 -27.671 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.322 12.247 -29.350 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.756 13.876 -29.663 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.393 15.641 -30.392 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.540 11.554 -30.009 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.388 16.073 -31.757 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.539 11.986 -31.367 1.00 0.00 H new ATOM 0 HH TYR A 19 20.718 13.470 -32.502 1.00 0.00 H new ATOM 268 N TRP A 20 14.910 12.330 -25.939 1.00 0.00 N ATOM 269 CA TRP A 20 13.883 11.745 -25.084 1.00 0.00 C ATOM 270 C TRP A 20 12.923 12.815 -24.576 1.00 0.00 C ATOM 271 O TRP A 20 13.059 13.992 -24.908 1.00 0.00 O ATOM 272 CB TRP A 20 14.527 11.017 -23.903 1.00 0.00 C ATOM 273 CG TRP A 20 14.985 9.630 -24.239 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.932 9.023 -25.461 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.564 8.678 -23.340 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.444 7.750 -25.376 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.839 7.515 -24.086 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.880 8.696 -21.979 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.412 6.382 -23.514 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.448 7.571 -21.413 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.711 6.427 -22.179 1.00 0.00 C ATOM 0 H TRP A 20 15.866 12.096 -25.671 1.00 0.00 H new ATOM 0 HA TRP A 20 13.316 11.028 -25.678 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.379 11.597 -23.548 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.811 10.967 -23.082 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.545 9.476 -26.362 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.518 7.088 -26.148 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.684 9.573 -21.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.613 5.499 -24.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.694 7.573 -20.361 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.158 5.565 -21.707 1.00 0.00 H new ATOM 292 N SER A 21 11.952 12.398 -23.769 1.00 0.00 N ATOM 293 CA SER A 21 10.968 13.321 -23.217 1.00 0.00 C ATOM 294 C SER A 21 11.164 13.490 -21.713 1.00 0.00 C ATOM 295 O SER A 21 11.888 12.733 -21.067 1.00 0.00 O ATOM 296 CB SER A 21 9.551 12.821 -23.504 1.00 0.00 C ATOM 297 OG SER A 21 8.970 12.241 -22.349 1.00 0.00 O ATOM 0 H SER A 21 11.826 11.427 -23.483 1.00 0.00 H new ATOM 0 HA SER A 21 11.108 14.290 -23.695 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.933 13.650 -23.849 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.577 12.087 -24.309 1.00 0.00 H new ATOM 0 HG SER A 21 8.064 11.931 -22.559 1.00 0.00 H new ATOM 303 N PRO A 22 10.505 14.509 -21.142 1.00 0.00 N ATOM 304 CA PRO A 22 10.590 14.803 -19.709 1.00 0.00 C ATOM 305 C PRO A 22 9.893 13.747 -18.858 1.00 0.00 C ATOM 306 O PRO A 22 10.085 13.687 -17.643 1.00 0.00 O ATOM 307 CB PRO A 22 9.875 16.150 -19.580 1.00 0.00 C ATOM 308 CG PRO A 22 8.940 16.196 -20.738 1.00 0.00 C ATOM 309 CD PRO A 22 9.624 15.452 -21.852 1.00 0.00 C ATOM 0 HA PRO A 22 11.621 14.817 -19.357 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.338 16.224 -18.634 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.583 16.978 -19.610 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.986 15.733 -20.488 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.728 17.225 -21.028 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.907 14.932 -22.487 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.191 16.125 -22.496 1.00 0.00 H new ATOM 317 N LYS A 23 9.084 12.914 -19.503 1.00 0.00 N ATOM 318 CA LYS A 23 8.359 11.857 -18.807 1.00 0.00 C ATOM 319 C LYS A 23 9.102 10.529 -18.910 1.00 0.00 C ATOM 320 O LYS A 23 8.934 9.645 -18.069 1.00 0.00 O ATOM 321 CB LYS A 23 6.949 11.711 -19.385 1.00 0.00 C ATOM 322 CG LYS A 23 6.032 12.875 -19.051 1.00 0.00 C ATOM 323 CD LYS A 23 5.790 12.983 -17.555 1.00 0.00 C ATOM 324 CE LYS A 23 4.522 13.766 -17.250 1.00 0.00 C ATOM 325 NZ LYS A 23 4.369 14.945 -18.147 1.00 0.00 N ATOM 0 H LYS A 23 8.913 12.950 -20.508 1.00 0.00 H new ATOM 0 HA LYS A 23 8.287 12.132 -17.755 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.018 11.613 -20.468 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.505 10.790 -19.009 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.472 13.803 -19.417 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.080 12.749 -19.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.714 11.984 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.642 13.470 -17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.657 13.112 -17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.542 14.099 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.650 15.587 -17.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.278 15.446 -18.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.072 14.626 -19.092 1.00 0.00 H new ATOM 339 N LYS A 24 9.925 10.395 -19.944 1.00 0.00 N ATOM 340 CA LYS A 24 10.696 9.176 -20.156 1.00 0.00 C ATOM 341 C LYS A 24 11.914 9.136 -19.240 1.00 0.00 C ATOM 342 O LYS A 24 12.127 8.164 -18.515 1.00 0.00 O ATOM 343 CB LYS A 24 11.140 9.076 -21.617 1.00 0.00 C ATOM 344 CG LYS A 24 12.316 8.140 -21.833 1.00 0.00 C ATOM 345 CD LYS A 24 12.018 6.742 -21.318 1.00 0.00 C ATOM 346 CE LYS A 24 13.141 5.773 -21.654 1.00 0.00 C ATOM 347 NZ LYS A 24 13.128 4.578 -20.765 1.00 0.00 N ATOM 0 H LYS A 24 10.075 11.116 -20.649 1.00 0.00 H new ATOM 0 HA LYS A 24 10.056 8.326 -19.918 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.299 8.735 -22.221 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.407 10.070 -21.976 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.555 8.094 -22.895 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.195 8.536 -21.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.875 6.774 -20.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.085 6.384 -21.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.047 5.454 -22.692 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.100 6.283 -21.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.909 3.942 -21.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.243 4.880 -19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.223 4.077 -20.871 1.00 0.00 H new ATOM 361 N VAL A 25 12.711 10.199 -19.276 1.00 0.00 N ATOM 362 CA VAL A 25 13.908 10.286 -18.447 1.00 0.00 C ATOM 363 C VAL A 25 13.658 9.707 -17.059 1.00 0.00 C ATOM 364 O VAL A 25 14.521 9.040 -16.490 1.00 0.00 O ATOM 365 CB VAL A 25 14.387 11.743 -18.305 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.604 11.819 -17.395 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.694 12.338 -19.670 1.00 0.00 C ATOM 0 H VAL A 25 12.550 11.012 -19.870 1.00 0.00 H new ATOM 0 HA VAL A 25 14.682 9.704 -18.946 1.00 0.00 H new ATOM 0 HB VAL A 25 13.587 12.328 -17.851 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.928 12.856 -17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.345 11.434 -16.408 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.412 11.221 -17.817 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.031 13.368 -19.551 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.477 11.754 -20.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.795 12.320 -20.286 1.00 0.00 H new ATOM 377 N ALA A 26 12.472 9.967 -16.520 1.00 0.00 N ATOM 378 CA ALA A 26 12.107 9.469 -15.199 1.00 0.00 C ATOM 379 C ALA A 26 12.009 7.947 -15.194 1.00 0.00 C ATOM 380 O ALA A 26 12.711 7.273 -14.441 1.00 0.00 O ATOM 381 CB ALA A 26 10.792 10.086 -14.747 1.00 0.00 C ATOM 0 H ALA A 26 11.747 10.520 -16.977 1.00 0.00 H new ATOM 0 HA ALA A 26 12.891 9.759 -14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.532 9.705 -13.759 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.895 11.170 -14.702 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.005 9.825 -15.455 1.00 0.00 H new ATOM 387 N ASP A 27 11.133 7.413 -16.038 1.00 0.00 N ATOM 388 CA ASP A 27 10.942 5.970 -16.131 1.00 0.00 C ATOM 389 C ASP A 27 12.284 5.243 -16.120 1.00 0.00 C ATOM 390 O ASP A 27 12.415 4.171 -15.530 1.00 0.00 O ATOM 391 CB ASP A 27 10.166 5.617 -17.400 1.00 0.00 C ATOM 392 CG ASP A 27 8.667 5.608 -17.179 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.194 4.797 -16.356 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.966 6.411 -17.829 1.00 0.00 O ATOM 0 H ASP A 27 10.544 7.958 -16.668 1.00 0.00 H new ATOM 0 HA ASP A 27 10.367 5.647 -15.263 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.410 6.335 -18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.484 4.637 -17.756 1.00 0.00 H new ATOM 399 N TRP A 28 13.275 5.833 -16.778 1.00 0.00 N ATOM 400 CA TRP A 28 14.606 5.241 -16.845 1.00 0.00 C ATOM 401 C TRP A 28 15.240 5.169 -15.461 1.00 0.00 C ATOM 402 O TRP A 28 15.956 4.219 -15.143 1.00 0.00 O ATOM 403 CB TRP A 28 15.500 6.050 -17.787 1.00 0.00 C ATOM 404 CG TRP A 28 16.929 5.600 -17.782 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.444 4.496 -18.400 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.028 6.243 -17.126 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.795 4.414 -18.167 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.178 5.474 -17.389 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.151 7.395 -16.344 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.433 5.821 -16.896 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.398 7.737 -15.855 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.525 6.953 -16.133 1.00 0.00 C ATOM 0 H TRP A 28 13.182 6.720 -17.272 1.00 0.00 H new ATOM 0 HA TRP A 28 14.506 4.227 -17.232 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.107 5.977 -18.801 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.457 7.102 -17.503 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.873 3.791 -18.986 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.413 3.682 -18.517 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.288 8.007 -16.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.303 5.218 -17.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.505 8.624 -15.248 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.486 7.248 -15.737 1.00 0.00 H new ATOM 423 N LEU A 29 14.974 6.179 -14.639 1.00 0.00 N ATOM 424 CA LEU A 29 15.519 6.230 -13.287 1.00 0.00 C ATOM 425 C LEU A 29 14.961 5.096 -12.432 1.00 0.00 C ATOM 426 O LEU A 29 15.700 4.216 -11.991 1.00 0.00 O ATOM 427 CB LEU A 29 15.200 7.578 -12.638 1.00 0.00 C ATOM 428 CG LEU A 29 15.768 8.812 -13.340 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.111 10.077 -12.810 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.278 8.878 -13.163 1.00 0.00 C ATOM 0 H LEU A 29 14.384 6.974 -14.886 1.00 0.00 H new ATOM 0 HA LEU A 29 16.601 6.112 -13.353 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.117 7.684 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.573 7.563 -11.614 1.00 0.00 H new ATOM 0 HG LEU A 29 15.550 8.733 -14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.528 10.945 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.037 10.032 -12.989 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.297 10.162 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.665 9.762 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.518 8.933 -12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.734 7.986 -13.592 1.00 0.00 H new ATOM 442 N LEU A 30 13.653 5.123 -12.204 1.00 0.00 N ATOM 443 CA LEU A 30 12.994 4.096 -11.404 1.00 0.00 C ATOM 444 C LEU A 30 13.339 2.702 -11.917 1.00 0.00 C ATOM 445 O LEU A 30 13.449 1.754 -11.140 1.00 0.00 O ATOM 446 CB LEU A 30 11.478 4.299 -11.425 1.00 0.00 C ATOM 447 CG LEU A 30 10.993 5.742 -11.287 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.923 6.535 -10.383 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.886 6.402 -12.655 1.00 0.00 C ATOM 0 H LEU A 30 13.027 5.845 -12.562 1.00 0.00 H new ATOM 0 HA LEU A 30 13.352 4.185 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.090 3.894 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.041 3.711 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 30 10.002 5.729 -10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.561 7.560 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.949 6.076 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.927 6.539 -10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.539 7.429 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.864 6.402 -13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.178 5.848 -13.272 1.00 0.00 H new ATOM 461 N GLU A 31 13.511 2.585 -13.230 1.00 0.00 N ATOM 462 CA GLU A 31 13.846 1.307 -13.846 1.00 0.00 C ATOM 463 C GLU A 31 15.113 0.721 -13.229 1.00 0.00 C ATOM 464 O GLU A 31 15.312 -0.493 -13.230 1.00 0.00 O ATOM 465 CB GLU A 31 14.031 1.475 -15.355 1.00 0.00 C ATOM 466 CG GLU A 31 14.384 0.183 -16.073 1.00 0.00 C ATOM 467 CD GLU A 31 13.159 -0.619 -16.465 1.00 0.00 C ATOM 468 OE1 GLU A 31 12.220 -0.709 -15.647 1.00 0.00 O ATOM 469 OE2 GLU A 31 13.140 -1.158 -17.592 1.00 0.00 O ATOM 0 H GLU A 31 13.424 3.360 -13.887 1.00 0.00 H new ATOM 0 HA GLU A 31 13.021 0.618 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.113 1.879 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.817 2.208 -15.537 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.963 0.415 -16.967 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.020 -0.424 -15.429 1.00 0.00 H new ATOM 476 N ASN A 32 15.966 1.593 -12.703 1.00 0.00 N ATOM 477 CA ASN A 32 17.214 1.163 -12.083 1.00 0.00 C ATOM 478 C ASN A 32 17.211 1.464 -10.588 1.00 0.00 C ATOM 479 O ASN A 32 18.248 1.400 -9.929 1.00 0.00 O ATOM 480 CB ASN A 32 18.404 1.855 -12.751 1.00 0.00 C ATOM 481 CG ASN A 32 18.500 1.540 -14.232 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.889 0.437 -14.619 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.145 2.509 -15.067 1.00 0.00 N ATOM 0 H ASN A 32 15.816 2.602 -12.694 1.00 0.00 H new ATOM 0 HA ASN A 32 17.305 0.085 -12.218 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.316 2.933 -12.617 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.325 1.546 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.188 2.355 -16.074 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.829 3.407 -14.701 1.00 0.00 H new ATOM 490 N ALA A 33 16.037 1.793 -10.058 1.00 0.00 N ATOM 491 CA ALA A 33 15.897 2.101 -8.640 1.00 0.00 C ATOM 492 C ALA A 33 16.553 3.435 -8.301 1.00 0.00 C ATOM 493 O ALA A 33 17.298 3.542 -7.328 1.00 0.00 O ATOM 494 CB ALA A 33 16.498 0.986 -7.797 1.00 0.00 C ATOM 0 H ALA A 33 15.169 1.853 -10.590 1.00 0.00 H new ATOM 0 HA ALA A 33 14.834 2.181 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.387 1.229 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.982 0.050 -8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.556 0.880 -8.035 1.00 0.00 H new ATOM 500 N MET A 34 16.270 4.450 -9.111 1.00 0.00 N ATOM 501 CA MET A 34 16.834 5.778 -8.897 1.00 0.00 C ATOM 502 C MET A 34 15.730 6.825 -8.783 1.00 0.00 C ATOM 503 O MET A 34 15.771 7.877 -9.421 1.00 0.00 O ATOM 504 CB MET A 34 17.783 6.144 -10.039 1.00 0.00 C ATOM 505 CG MET A 34 18.839 5.085 -10.314 1.00 0.00 C ATOM 506 SD MET A 34 20.360 5.779 -10.989 1.00 0.00 S ATOM 507 CE MET A 34 19.899 5.998 -12.706 1.00 0.00 C ATOM 0 H MET A 34 15.654 4.379 -9.921 1.00 0.00 H new ATOM 0 HA MET A 34 17.393 5.761 -7.962 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.201 6.309 -10.946 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.278 7.086 -9.802 1.00 0.00 H new ATOM 0 HG2 MET A 34 19.065 4.555 -9.389 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.438 4.351 -11.013 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.720 6.470 -13.246 1.00 0.00 H new ATOM 0 HE2 MET A 34 19.683 5.027 -13.151 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.013 6.630 -12.767 1.00 0.00 H new ATOM 517 N PRO A 35 14.718 6.532 -7.952 1.00 0.00 N ATOM 518 CA PRO A 35 13.584 7.435 -7.737 1.00 0.00 C ATOM 519 C PRO A 35 13.981 8.691 -6.968 1.00 0.00 C ATOM 520 O PRO A 35 13.171 9.598 -6.783 1.00 0.00 O ATOM 521 CB PRO A 35 12.609 6.590 -6.913 1.00 0.00 C ATOM 522 CG PRO A 35 13.467 5.589 -6.220 1.00 0.00 C ATOM 523 CD PRO A 35 14.604 5.296 -7.160 1.00 0.00 C ATOM 0 HA PRO A 35 13.167 7.797 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.060 7.203 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.870 6.104 -7.550 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.836 5.981 -5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.905 4.683 -5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.526 5.078 -6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.392 4.433 -7.791 1.00 0.00 H new ATOM 531 N GLU A 36 15.233 8.735 -6.522 1.00 0.00 N ATOM 532 CA GLU A 36 15.736 9.880 -5.771 1.00 0.00 C ATOM 533 C GLU A 36 16.154 11.006 -6.712 1.00 0.00 C ATOM 534 O GLU A 36 16.185 12.174 -6.324 1.00 0.00 O ATOM 535 CB GLU A 36 16.921 9.464 -4.897 1.00 0.00 C ATOM 536 CG GLU A 36 17.767 8.358 -5.505 1.00 0.00 C ATOM 537 CD GLU A 36 17.294 6.974 -5.105 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.486 6.874 -4.159 1.00 0.00 O ATOM 539 OE2 GLU A 36 17.733 5.992 -5.738 1.00 0.00 O ATOM 0 H GLU A 36 15.917 7.992 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 36 14.932 10.244 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.552 10.335 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.548 9.134 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.746 8.445 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.804 8.487 -5.195 1.00 0.00 H new ATOM 546 N TYR A 37 16.475 10.646 -7.950 1.00 0.00 N ATOM 547 CA TYR A 37 16.894 11.625 -8.946 1.00 0.00 C ATOM 548 C TYR A 37 15.715 12.066 -9.807 1.00 0.00 C ATOM 549 O TYR A 37 15.815 13.026 -10.572 1.00 0.00 O ATOM 550 CB TYR A 37 17.998 11.042 -9.831 1.00 0.00 C ATOM 551 CG TYR A 37 19.316 10.861 -9.114 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.083 11.957 -8.740 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.795 9.592 -8.810 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.289 11.795 -8.086 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.999 9.421 -8.154 1.00 0.00 C ATOM 556 CZ TYR A 37 21.742 10.525 -7.795 1.00 0.00 C ATOM 557 OH TYR A 37 22.942 10.360 -7.142 1.00 0.00 O ATOM 0 H TYR A 37 16.453 9.684 -8.288 1.00 0.00 H new ATOM 0 HA TYR A 37 17.282 12.498 -8.420 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.670 10.078 -10.219 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.148 11.697 -10.689 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.730 12.953 -8.964 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.216 8.725 -9.091 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.874 12.658 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.356 8.428 -7.924 1.00 0.00 H new ATOM 0 HH TYR A 37 23.105 11.130 -6.558 1.00 0.00 H new ATOM 567 N CYS A 38 14.599 11.358 -9.677 1.00 0.00 N ATOM 568 CA CYS A 38 13.399 11.674 -10.443 1.00 0.00 C ATOM 569 C CYS A 38 12.929 13.096 -10.155 1.00 0.00 C ATOM 570 O CYS A 38 12.493 13.810 -11.057 1.00 0.00 O ATOM 571 CB CYS A 38 12.283 10.679 -10.118 1.00 0.00 C ATOM 572 SG CYS A 38 11.097 10.435 -11.460 1.00 0.00 S ATOM 0 H CYS A 38 14.500 10.561 -9.048 1.00 0.00 H new ATOM 0 HA CYS A 38 13.644 11.599 -11.502 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.730 9.718 -9.864 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.748 11.025 -9.234 1.00 0.00 H new ATOM 0 HG CYS A 38 10.194 9.576 -11.090 1.00 0.00 H new ATOM 578 N GLU A 39 13.019 13.499 -8.892 1.00 0.00 N ATOM 579 CA GLU A 39 12.602 14.836 -8.485 1.00 0.00 C ATOM 580 C GLU A 39 13.360 15.904 -9.267 1.00 0.00 C ATOM 581 O GLU A 39 12.775 16.726 -9.972 1.00 0.00 O ATOM 582 CB GLU A 39 12.827 15.030 -6.984 1.00 0.00 C ATOM 583 CG GLU A 39 11.602 14.720 -6.140 1.00 0.00 C ATOM 584 CD GLU A 39 11.925 14.611 -4.662 1.00 0.00 C ATOM 585 OE1 GLU A 39 13.099 14.351 -4.328 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.001 14.786 -3.840 1.00 0.00 O ATOM 0 H GLU A 39 13.377 12.919 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 39 11.539 14.939 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.650 14.392 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.133 16.060 -6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.856 15.501 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.157 13.785 -6.481 1.00 0.00 H new ATOM 593 N PRO A 40 14.696 15.894 -9.139 1.00 0.00 N ATOM 594 CA PRO A 40 15.564 16.855 -9.825 1.00 0.00 C ATOM 595 C PRO A 40 15.609 16.623 -11.332 1.00 0.00 C ATOM 596 O PRO A 40 15.980 17.513 -12.097 1.00 0.00 O ATOM 597 CB PRO A 40 16.939 16.598 -9.203 1.00 0.00 C ATOM 598 CG PRO A 40 16.884 15.185 -8.733 1.00 0.00 C ATOM 599 CD PRO A 40 15.460 14.944 -8.314 1.00 0.00 C ATOM 0 HA PRO A 40 15.212 17.880 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.736 16.742 -9.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.134 17.283 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.179 14.498 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.569 15.024 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.155 13.914 -8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.317 15.131 -7.250 1.00 0.00 H new ATOM 607 N LEU A 41 15.228 15.421 -11.752 1.00 0.00 N ATOM 608 CA LEU A 41 15.226 15.071 -13.168 1.00 0.00 C ATOM 609 C LEU A 41 13.804 15.053 -13.721 1.00 0.00 C ATOM 610 O LEU A 41 13.574 14.621 -14.850 1.00 0.00 O ATOM 611 CB LEU A 41 15.884 13.707 -13.377 1.00 0.00 C ATOM 612 CG LEU A 41 17.336 13.583 -12.912 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.801 12.138 -12.993 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.240 14.484 -13.740 1.00 0.00 C ATOM 0 H LEU A 41 14.917 14.673 -11.132 1.00 0.00 H new ATOM 0 HA LEU A 41 15.796 15.828 -13.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.291 12.956 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.842 13.465 -14.439 1.00 0.00 H new ATOM 0 HG LEU A 41 17.393 13.903 -11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.836 12.070 -12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.172 11.517 -12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.729 11.790 -14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.269 14.383 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.179 14.195 -14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.921 15.520 -13.630 1.00 0.00 H new ATOM 626 N GLU A 42 12.856 15.526 -12.919 1.00 0.00 N ATOM 627 CA GLU A 42 11.457 15.565 -13.330 1.00 0.00 C ATOM 628 C GLU A 42 11.302 16.291 -14.663 1.00 0.00 C ATOM 629 O GLU A 42 10.724 15.758 -15.610 1.00 0.00 O ATOM 630 CB GLU A 42 10.607 16.252 -12.260 1.00 0.00 C ATOM 631 CG GLU A 42 11.096 17.643 -11.895 1.00 0.00 C ATOM 632 CD GLU A 42 10.611 18.092 -10.530 1.00 0.00 C ATOM 633 OE1 GLU A 42 10.107 17.240 -9.769 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.736 19.296 -10.223 1.00 0.00 O ATOM 0 H GLU A 42 13.031 15.887 -11.981 1.00 0.00 H new ATOM 0 HA GLU A 42 11.112 14.538 -13.453 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.578 16.319 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.597 15.633 -11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.186 17.657 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.756 18.353 -12.649 1.00 0.00 H new ATOM 641 N HIS A 43 11.822 17.513 -14.728 1.00 0.00 N ATOM 642 CA HIS A 43 11.741 18.314 -15.944 1.00 0.00 C ATOM 643 C HIS A 43 13.032 18.209 -16.751 1.00 0.00 C ATOM 644 O HIS A 43 13.392 19.127 -17.488 1.00 0.00 O ATOM 645 CB HIS A 43 11.460 19.777 -15.599 1.00 0.00 C ATOM 646 CG HIS A 43 10.001 20.101 -15.508 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.319 20.787 -16.491 1.00 0.00 N ATOM 648 CD2 HIS A 43 9.091 19.827 -14.543 1.00 0.00 C ATOM 649 CE1 HIS A 43 8.054 20.922 -16.134 1.00 0.00 C ATOM 650 NE2 HIS A 43 7.890 20.348 -14.956 1.00 0.00 N ATOM 0 H HIS A 43 12.304 17.970 -13.953 1.00 0.00 H new ATOM 0 HA HIS A 43 10.922 17.927 -16.550 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.937 20.016 -14.648 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.919 20.415 -16.355 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.276 19.297 -13.620 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.285 21.417 -16.708 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.013 20.300 -14.437 1.00 0.00 H new ATOM 658 N PHE A 44 13.725 17.084 -16.606 1.00 0.00 N ATOM 659 CA PHE A 44 14.977 16.860 -17.319 1.00 0.00 C ATOM 660 C PHE A 44 14.740 16.062 -18.597 1.00 0.00 C ATOM 661 O PHE A 44 13.840 15.223 -18.662 1.00 0.00 O ATOM 662 CB PHE A 44 15.975 16.124 -16.422 1.00 0.00 C ATOM 663 CG PHE A 44 16.854 17.043 -15.623 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.301 17.983 -14.768 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.233 16.966 -15.725 1.00 0.00 C ATOM 666 CE1 PHE A 44 17.107 18.831 -14.033 1.00 0.00 C ATOM 667 CE2 PHE A 44 19.045 17.810 -14.991 1.00 0.00 C ATOM 668 CZ PHE A 44 18.481 18.743 -14.143 1.00 0.00 C ATOM 0 H PHE A 44 13.441 16.314 -16.001 1.00 0.00 H new ATOM 0 HA PHE A 44 15.390 17.831 -17.590 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.427 15.474 -15.740 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.602 15.481 -17.040 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.227 18.054 -14.675 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.679 16.238 -16.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.663 19.562 -13.373 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.119 17.740 -15.080 1.00 0.00 H new ATOM 0 HZ PHE A 44 19.113 19.403 -13.567 1.00 0.00 H new ATOM 678 N THR A 45 15.553 16.329 -19.614 1.00 0.00 N ATOM 679 CA THR A 45 15.432 15.638 -20.892 1.00 0.00 C ATOM 680 C THR A 45 16.650 14.764 -21.162 1.00 0.00 C ATOM 681 O THR A 45 17.768 15.102 -20.776 1.00 0.00 O ATOM 682 CB THR A 45 15.260 16.634 -22.054 1.00 0.00 C ATOM 683 OG1 THR A 45 16.194 17.710 -21.920 1.00 0.00 O ATOM 684 CG2 THR A 45 13.843 17.187 -22.088 1.00 0.00 C ATOM 0 H THR A 45 16.303 17.019 -19.578 1.00 0.00 H new ATOM 0 HA THR A 45 14.545 15.008 -20.829 1.00 0.00 H new ATOM 0 HB THR A 45 15.449 16.104 -22.988 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.079 18.338 -22.664 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.746 17.888 -22.917 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.136 16.368 -22.221 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.631 17.702 -21.151 1.00 0.00 H new ATOM 692 N GLY A 46 16.427 13.636 -21.831 1.00 0.00 N ATOM 693 CA GLY A 46 17.518 12.730 -22.141 1.00 0.00 C ATOM 694 C GLY A 46 18.822 13.458 -22.397 1.00 0.00 C ATOM 695 O GLY A 46 19.889 12.992 -21.997 1.00 0.00 O ATOM 0 H GLY A 46 15.511 13.334 -22.163 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.652 12.031 -21.315 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.257 12.139 -23.019 1.00 0.00 H new ATOM 699 N GLN A 47 18.737 14.603 -23.066 1.00 0.00 N ATOM 700 CA GLN A 47 19.921 15.396 -23.377 1.00 0.00 C ATOM 701 C GLN A 47 20.525 15.991 -22.109 1.00 0.00 C ATOM 702 O GLN A 47 21.720 15.842 -21.850 1.00 0.00 O ATOM 703 CB GLN A 47 19.569 16.512 -24.361 1.00 0.00 C ATOM 704 CG GLN A 47 20.773 17.320 -24.820 1.00 0.00 C ATOM 705 CD GLN A 47 21.502 16.673 -25.981 1.00 0.00 C ATOM 706 OE1 GLN A 47 21.006 16.654 -27.108 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.687 16.138 -25.711 1.00 0.00 N ATOM 0 H GLN A 47 17.861 15.002 -23.403 1.00 0.00 H new ATOM 0 HA GLN A 47 20.659 14.738 -23.835 1.00 0.00 H new ATOM 0 HB2 GLN A 47 19.081 16.076 -25.233 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.848 17.183 -23.894 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.446 18.318 -25.112 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.463 17.442 -23.985 1.00 0.00 H new ATOM 0 HE21 GLN A 47 23.060 16.177 -24.762 1.00 0.00 H new ATOM 0 HE22 GLN A 47 23.224 15.688 -26.452 1.00 0.00 H new ATOM 716 N ASP A 48 19.693 16.666 -21.324 1.00 0.00 N ATOM 717 CA ASP A 48 20.145 17.283 -20.082 1.00 0.00 C ATOM 718 C ASP A 48 20.623 16.225 -19.092 1.00 0.00 C ATOM 719 O ASP A 48 21.581 16.442 -18.349 1.00 0.00 O ATOM 720 CB ASP A 48 19.020 18.110 -19.459 1.00 0.00 C ATOM 721 CG ASP A 48 18.784 19.414 -20.196 1.00 0.00 C ATOM 722 OD1 ASP A 48 19.777 20.082 -20.552 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.606 19.767 -20.416 1.00 0.00 O ATOM 0 H ASP A 48 18.702 16.800 -21.525 1.00 0.00 H new ATOM 0 HA ASP A 48 20.982 17.941 -20.316 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.100 17.525 -19.458 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.263 18.323 -18.418 1.00 0.00 H new ATOM 728 N LEU A 49 19.950 15.080 -19.087 1.00 0.00 N ATOM 729 CA LEU A 49 20.305 13.987 -18.188 1.00 0.00 C ATOM 730 C LEU A 49 21.728 13.506 -18.453 1.00 0.00 C ATOM 731 O LEU A 49 22.515 13.324 -17.523 1.00 0.00 O ATOM 732 CB LEU A 49 19.323 12.826 -18.352 1.00 0.00 C ATOM 733 CG LEU A 49 19.731 11.505 -17.699 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.504 10.747 -17.217 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.537 10.656 -18.672 1.00 0.00 C ATOM 0 H LEU A 49 19.155 14.884 -19.695 1.00 0.00 H new ATOM 0 HA LEU A 49 20.251 14.358 -17.165 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.360 13.130 -17.941 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.173 12.651 -19.417 1.00 0.00 H new ATOM 0 HG LEU A 49 20.358 11.727 -16.835 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.814 9.810 -16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.967 11.351 -16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.851 10.536 -18.064 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.819 9.720 -18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.934 10.443 -19.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.436 11.197 -18.968 1.00 0.00 H new ATOM 747 N ILE A 50 22.052 13.303 -19.725 1.00 0.00 N ATOM 748 CA ILE A 50 23.381 12.847 -20.112 1.00 0.00 C ATOM 749 C ILE A 50 24.428 13.927 -19.859 1.00 0.00 C ATOM 750 O ILE A 50 25.610 13.632 -19.688 1.00 0.00 O ATOM 751 CB ILE A 50 23.427 12.440 -21.597 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.236 13.668 -22.490 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.365 11.392 -21.892 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.943 13.560 -23.823 1.00 0.00 C ATOM 0 H ILE A 50 21.412 13.447 -20.506 1.00 0.00 H new ATOM 0 HA ILE A 50 23.606 11.975 -19.498 1.00 0.00 H new ATOM 0 HB ILE A 50 24.404 12.007 -21.811 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.171 13.819 -22.664 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.601 14.550 -21.964 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.410 11.115 -22.945 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.543 10.510 -21.277 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.379 11.799 -21.666 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.765 14.465 -24.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 25.014 13.440 -23.658 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.561 12.697 -24.369 1.00 0.00 H new ATOM 766 N ASN A 51 23.984 15.179 -19.836 1.00 0.00 N ATOM 767 CA ASN A 51 24.882 16.305 -19.603 1.00 0.00 C ATOM 768 C ASN A 51 25.149 16.489 -18.113 1.00 0.00 C ATOM 769 O ASN A 51 25.637 17.535 -17.683 1.00 0.00 O ATOM 770 CB ASN A 51 24.289 17.587 -20.189 1.00 0.00 C ATOM 771 CG ASN A 51 24.511 17.696 -21.686 1.00 0.00 C ATOM 772 OD1 ASN A 51 25.421 17.076 -22.236 1.00 0.00 O ATOM 773 ND2 ASN A 51 23.679 18.488 -22.351 1.00 0.00 N ATOM 0 H ASN A 51 23.008 15.440 -19.976 1.00 0.00 H new ATOM 0 HA ASN A 51 25.829 16.091 -20.099 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.220 17.618 -19.980 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.736 18.450 -19.695 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.780 18.602 -23.360 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.939 18.983 -21.853 1.00 0.00 H new ATOM 780 N LEU A 52 24.825 15.467 -17.329 1.00 0.00 N ATOM 781 CA LEU A 52 25.031 15.515 -15.885 1.00 0.00 C ATOM 782 C LEU A 52 26.434 15.042 -15.519 1.00 0.00 C ATOM 783 O LEU A 52 26.907 14.019 -16.015 1.00 0.00 O ATOM 784 CB LEU A 52 23.988 14.652 -15.173 1.00 0.00 C ATOM 785 CG LEU A 52 22.563 15.205 -15.148 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.661 14.320 -14.301 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.554 16.634 -14.625 1.00 0.00 C ATOM 0 H LEU A 52 24.419 14.595 -17.668 1.00 0.00 H new ATOM 0 HA LEU A 52 24.921 16.550 -15.561 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.968 13.673 -15.652 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.314 14.497 -14.145 1.00 0.00 H new ATOM 0 HG LEU A 52 22.179 15.210 -16.168 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.651 14.730 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.642 13.314 -14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.043 14.282 -13.281 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.531 17.011 -14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.959 16.654 -13.613 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.166 17.262 -15.273 1.00 0.00 H new ATOM 799 N THR A 53 27.097 15.794 -14.645 1.00 0.00 N ATOM 800 CA THR A 53 28.445 15.452 -14.210 1.00 0.00 C ATOM 801 C THR A 53 28.584 15.582 -12.697 1.00 0.00 C ATOM 802 O THR A 53 27.821 16.302 -12.055 1.00 0.00 O ATOM 803 CB THR A 53 29.498 16.347 -14.890 1.00 0.00 C ATOM 804 OG1 THR A 53 29.188 17.727 -14.665 1.00 0.00 O ATOM 805 CG2 THR A 53 29.558 16.072 -16.385 1.00 0.00 C ATOM 0 H THR A 53 26.721 16.644 -14.225 1.00 0.00 H new ATOM 0 HA THR A 53 28.618 14.416 -14.500 1.00 0.00 H new ATOM 0 HB THR A 53 30.471 16.119 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 53 29.863 18.289 -15.099 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.309 16.716 -16.844 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.824 15.028 -16.553 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.585 16.275 -16.832 1.00 0.00 H new ATOM 813 N GLN A 54 29.563 14.880 -12.136 1.00 0.00 N ATOM 814 CA GLN A 54 29.802 14.917 -10.698 1.00 0.00 C ATOM 815 C GLN A 54 29.799 16.353 -10.183 1.00 0.00 C ATOM 816 O GLN A 54 29.515 16.601 -9.012 1.00 0.00 O ATOM 817 CB GLN A 54 31.135 14.246 -10.363 1.00 0.00 C ATOM 818 CG GLN A 54 31.231 13.770 -8.922 1.00 0.00 C ATOM 819 CD GLN A 54 29.932 13.172 -8.417 1.00 0.00 C ATOM 820 OE1 GLN A 54 29.736 11.958 -8.460 1.00 0.00 O ATOM 821 NE2 GLN A 54 29.036 14.026 -7.935 1.00 0.00 N ATOM 0 H GLN A 54 30.203 14.279 -12.655 1.00 0.00 H new ATOM 0 HA GLN A 54 28.996 14.372 -10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.281 13.395 -11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 54 31.945 14.948 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 54 32.024 13.027 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 54 31.513 14.608 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 54 29.241 15.025 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 54 28.143 13.683 -7.581 1.00 0.00 H new ATOM 830 N GLU A 55 30.117 17.294 -11.066 1.00 0.00 N ATOM 831 CA GLU A 55 30.150 18.705 -10.700 1.00 0.00 C ATOM 832 C GLU A 55 28.739 19.243 -10.479 1.00 0.00 C ATOM 833 O GLU A 55 28.510 20.073 -9.599 1.00 0.00 O ATOM 834 CB GLU A 55 30.855 19.521 -11.786 1.00 0.00 C ATOM 835 CG GLU A 55 32.143 18.886 -12.283 1.00 0.00 C ATOM 836 CD GLU A 55 33.128 19.908 -12.818 1.00 0.00 C ATOM 837 OE1 GLU A 55 33.306 20.957 -12.165 1.00 0.00 O ATOM 838 OE2 GLU A 55 33.720 19.658 -13.889 1.00 0.00 O ATOM 0 H GLU A 55 30.355 17.105 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 55 30.706 18.799 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 55 30.176 19.653 -12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.076 20.515 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 55 32.608 18.330 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 55 31.910 18.166 -13.068 1.00 0.00 H new ATOM 845 N ASP A 56 27.798 18.766 -11.286 1.00 0.00 N ATOM 846 CA ASP A 56 26.409 19.198 -11.180 1.00 0.00 C ATOM 847 C ASP A 56 25.810 18.777 -9.842 1.00 0.00 C ATOM 848 O ASP A 56 24.784 19.308 -9.415 1.00 0.00 O ATOM 849 CB ASP A 56 25.583 18.617 -12.328 1.00 0.00 C ATOM 850 CG ASP A 56 25.651 19.470 -13.580 1.00 0.00 C ATOM 851 OD1 ASP A 56 25.770 20.706 -13.450 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.585 18.902 -14.690 1.00 0.00 O ATOM 0 H ASP A 56 27.971 18.080 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 56 26.387 20.286 -11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 56 25.940 17.613 -12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.544 18.522 -12.012 1.00 0.00 H new ATOM 857 N PHE A 57 26.455 17.819 -9.185 1.00 0.00 N ATOM 858 CA PHE A 57 25.986 17.326 -7.896 1.00 0.00 C ATOM 859 C PHE A 57 26.323 18.312 -6.781 1.00 0.00 C ATOM 860 O PHE A 57 25.576 18.451 -5.812 1.00 0.00 O ATOM 861 CB PHE A 57 26.607 15.961 -7.591 1.00 0.00 C ATOM 862 CG PHE A 57 26.033 14.844 -8.415 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.441 14.651 -9.725 1.00 0.00 C ATOM 864 CD2 PHE A 57 25.086 13.986 -7.879 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.914 13.624 -10.485 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.556 12.957 -8.634 1.00 0.00 C ATOM 867 CZ PHE A 57 24.971 12.775 -9.938 1.00 0.00 C ATOM 0 H PHE A 57 27.305 17.368 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 57 24.902 17.220 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.682 16.013 -7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.464 15.733 -6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.179 15.310 -10.157 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.758 14.123 -6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.239 13.485 -11.506 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.818 12.296 -8.204 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.559 11.971 -10.529 1.00 0.00 H new ATOM 877 N LYS A 58 27.455 18.993 -6.924 1.00 0.00 N ATOM 878 CA LYS A 58 27.893 19.967 -5.931 1.00 0.00 C ATOM 879 C LYS A 58 26.860 21.077 -5.765 1.00 0.00 C ATOM 880 O LYS A 58 26.831 21.764 -4.744 1.00 0.00 O ATOM 881 CB LYS A 58 29.241 20.567 -6.336 1.00 0.00 C ATOM 882 CG LYS A 58 30.242 19.537 -6.829 1.00 0.00 C ATOM 883 CD LYS A 58 31.656 20.094 -6.839 1.00 0.00 C ATOM 884 CE LYS A 58 31.878 21.031 -8.016 1.00 0.00 C ATOM 885 NZ LYS A 58 32.915 22.059 -7.719 1.00 0.00 N ATOM 0 H LYS A 58 28.086 18.888 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 58 28.003 19.452 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.079 21.308 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 58 29.666 21.094 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.202 18.655 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 58 29.969 19.215 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 31.845 20.628 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.371 19.273 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.180 20.452 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 58 30.940 21.524 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.037 22.678 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 32.616 22.628 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 33.817 21.589 -7.502 1.00 0.00 H new ATOM 899 N LYS A 59 26.011 21.245 -6.773 1.00 0.00 N ATOM 900 CA LYS A 59 24.974 22.269 -6.738 1.00 0.00 C ATOM 901 C LYS A 59 23.610 21.674 -7.072 1.00 0.00 C ATOM 902 O LYS A 59 23.503 20.580 -7.628 1.00 0.00 O ATOM 903 CB LYS A 59 25.306 23.395 -7.721 1.00 0.00 C ATOM 904 CG LYS A 59 26.169 22.948 -8.888 1.00 0.00 C ATOM 905 CD LYS A 59 26.223 24.006 -9.978 1.00 0.00 C ATOM 906 CE LYS A 59 26.705 23.422 -11.297 1.00 0.00 C ATOM 907 NZ LYS A 59 26.908 24.477 -12.329 1.00 0.00 N ATOM 0 H LYS A 59 26.021 20.684 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 59 24.935 22.677 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.377 23.815 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 59 25.819 24.194 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.178 22.736 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.773 22.020 -9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.233 24.443 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 59 26.889 24.813 -9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 59 27.640 22.886 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.979 22.694 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.236 24.039 -13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 26.010 24.972 -12.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.620 25.157 -11.994 1.00 0.00 H new ATOM 921 N PRO A 60 22.542 22.409 -6.728 1.00 0.00 N ATOM 922 CA PRO A 60 21.166 21.974 -6.985 1.00 0.00 C ATOM 923 C PRO A 60 20.820 21.988 -8.470 1.00 0.00 C ATOM 924 O PRO A 60 21.524 22.578 -9.290 1.00 0.00 O ATOM 925 CB PRO A 60 20.322 23.003 -6.229 1.00 0.00 C ATOM 926 CG PRO A 60 21.180 24.219 -6.160 1.00 0.00 C ATOM 927 CD PRO A 60 22.596 23.722 -6.063 1.00 0.00 C ATOM 0 HA PRO A 60 20.997 20.946 -6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.387 23.207 -6.750 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.061 22.646 -5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.045 24.842 -7.044 1.00 0.00 H new ATOM 0 HG3 PRO A 60 20.921 24.831 -5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.294 24.396 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 60 22.921 23.635 -5.026 1.00 0.00 H new ATOM 935 N PRO A 61 19.710 21.325 -8.827 1.00 0.00 N ATOM 936 CA PRO A 61 18.865 20.619 -7.859 1.00 0.00 C ATOM 937 C PRO A 61 19.544 19.376 -7.295 1.00 0.00 C ATOM 938 O PRO A 61 19.365 19.035 -6.125 1.00 0.00 O ATOM 939 CB PRO A 61 17.634 20.229 -8.682 1.00 0.00 C ATOM 940 CG PRO A 61 18.123 20.165 -10.088 1.00 0.00 C ATOM 941 CD PRO A 61 19.195 21.214 -10.202 1.00 0.00 C ATOM 0 HA PRO A 61 18.636 21.237 -6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.230 19.269 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.836 20.964 -8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.519 19.176 -10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.313 20.357 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.976 20.916 -10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.793 22.162 -10.559 1.00 0.00 H new ATOM 949 N LEU A 62 20.324 18.702 -8.133 1.00 0.00 N ATOM 950 CA LEU A 62 21.032 17.496 -7.717 1.00 0.00 C ATOM 951 C LEU A 62 22.062 17.814 -6.638 1.00 0.00 C ATOM 952 O LEU A 62 23.147 18.317 -6.930 1.00 0.00 O ATOM 953 CB LEU A 62 21.720 16.845 -8.918 1.00 0.00 C ATOM 954 CG LEU A 62 20.851 16.638 -10.159 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.695 16.718 -11.422 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.123 15.303 -10.085 1.00 0.00 C ATOM 0 H LEU A 62 20.482 18.970 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 62 20.302 16.801 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.577 17.459 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.110 15.876 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 62 20.106 17.433 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.059 16.568 -12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.168 17.698 -11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.463 15.945 -11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.510 15.173 -10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.851 14.494 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.486 15.284 -9.201 1.00 0.00 H new ATOM 968 N TYR A 63 21.715 17.516 -5.391 1.00 0.00 N ATOM 969 CA TYR A 63 22.610 17.770 -4.268 1.00 0.00 C ATOM 970 C TYR A 63 22.364 16.773 -3.139 1.00 0.00 C ATOM 971 O TYR A 63 21.273 16.717 -2.572 1.00 0.00 O ATOM 972 CB TYR A 63 22.422 19.198 -3.752 1.00 0.00 C ATOM 973 CG TYR A 63 23.351 19.558 -2.615 1.00 0.00 C ATOM 974 CD1 TYR A 63 24.693 19.831 -2.849 1.00 0.00 C ATOM 975 CD2 TYR A 63 22.887 19.624 -1.307 1.00 0.00 C ATOM 976 CE1 TYR A 63 25.546 20.160 -1.813 1.00 0.00 C ATOM 977 CE2 TYR A 63 23.733 19.954 -0.265 1.00 0.00 C ATOM 978 CZ TYR A 63 25.061 20.220 -0.523 1.00 0.00 C ATOM 979 OH TYR A 63 25.907 20.548 0.512 1.00 0.00 O ATOM 0 H TYR A 63 20.821 17.099 -5.132 1.00 0.00 H new ATOM 0 HA TYR A 63 23.635 17.649 -4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 63 22.580 19.896 -4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 63 21.391 19.323 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.076 19.785 -3.858 1.00 0.00 H new ATOM 0 HD2 TYR A 63 21.848 19.414 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 63 26.587 20.369 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 63 23.356 20.003 0.746 1.00 0.00 H new ATOM 0 HH TYR A 63 25.408 20.547 1.355 1.00 0.00 H new ATOM 989 N ARG A 64 23.387 15.988 -2.819 1.00 0.00 N ATOM 990 CA ARG A 64 23.283 14.991 -1.760 1.00 0.00 C ATOM 991 C ARG A 64 22.097 14.062 -2.002 1.00 0.00 C ATOM 992 O ARG A 64 21.421 13.644 -1.063 1.00 0.00 O ATOM 993 CB ARG A 64 23.140 15.675 -0.399 1.00 0.00 C ATOM 994 CG ARG A 64 24.223 16.704 -0.118 1.00 0.00 C ATOM 995 CD ARG A 64 24.365 16.969 1.373 1.00 0.00 C ATOM 996 NE ARG A 64 23.203 17.667 1.917 1.00 0.00 N ATOM 997 CZ ARG A 64 23.019 17.886 3.214 1.00 0.00 C ATOM 998 NH1 ARG A 64 23.915 17.465 4.095 1.00 0.00 N ATOM 999 NH2 ARG A 64 21.936 18.529 3.633 1.00 0.00 N ATOM 0 H ARG A 64 24.297 16.023 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 64 24.196 14.395 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 64 22.166 16.162 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.160 14.916 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.174 16.352 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.985 17.635 -0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.499 16.023 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.261 17.563 1.552 1.00 0.00 H new ATOM 0 HE ARG A 64 22.494 18.005 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.749 16.971 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.770 17.635 5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.244 18.856 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.796 18.697 4.629 1.00 0.00 H new ATOM 1013 N VAL A 65 21.850 13.744 -3.269 1.00 0.00 N ATOM 1014 CA VAL A 65 20.747 12.864 -3.635 1.00 0.00 C ATOM 1015 C VAL A 65 21.053 11.417 -3.266 1.00 0.00 C ATOM 1016 O VAL A 65 20.175 10.683 -2.812 1.00 0.00 O ATOM 1017 CB VAL A 65 20.441 12.945 -5.143 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.198 12.135 -5.479 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.277 14.394 -5.576 1.00 0.00 C ATOM 0 H VAL A 65 22.399 14.083 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 65 19.874 13.201 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 65 21.282 12.520 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 65 18.997 12.204 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.359 11.092 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.346 12.528 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.061 14.432 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 19.455 14.848 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.197 14.941 -5.372 1.00 0.00 H new ATOM 1029 N SER A 66 22.303 11.013 -3.465 1.00 0.00 N ATOM 1030 CA SER A 66 22.725 9.652 -3.157 1.00 0.00 C ATOM 1031 C SER A 66 23.810 9.649 -2.084 1.00 0.00 C ATOM 1032 O SER A 66 24.379 10.691 -1.759 1.00 0.00 O ATOM 1033 CB SER A 66 23.238 8.956 -4.419 1.00 0.00 C ATOM 1034 OG SER A 66 23.908 7.749 -4.099 1.00 0.00 O ATOM 0 H SER A 66 23.042 11.609 -3.838 1.00 0.00 H new ATOM 0 HA SER A 66 21.861 9.108 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 66 22.403 8.746 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.916 9.621 -4.955 1.00 0.00 H new ATOM 0 HG SER A 66 24.225 7.322 -4.922 1.00 0.00 H new ATOM 1040 N SER A 67 24.092 8.470 -1.540 1.00 0.00 N ATOM 1041 CA SER A 67 25.107 8.330 -0.502 1.00 0.00 C ATOM 1042 C SER A 67 26.463 7.985 -1.110 1.00 0.00 C ATOM 1043 O SER A 67 27.440 7.769 -0.394 1.00 0.00 O ATOM 1044 CB SER A 67 24.696 7.251 0.501 1.00 0.00 C ATOM 1045 OG SER A 67 25.776 6.906 1.351 1.00 0.00 O ATOM 0 H SER A 67 23.632 7.598 -1.801 1.00 0.00 H new ATOM 0 HA SER A 67 25.194 9.285 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.858 7.607 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.353 6.365 -0.033 1.00 0.00 H new ATOM 0 HG SER A 67 26.558 7.452 1.125 1.00 0.00 H new ATOM 1051 N ASP A 68 26.513 7.935 -2.437 1.00 0.00 N ATOM 1052 CA ASP A 68 27.748 7.618 -3.144 1.00 0.00 C ATOM 1053 C ASP A 68 28.353 8.870 -3.771 1.00 0.00 C ATOM 1054 O ASP A 68 29.127 8.788 -4.723 1.00 0.00 O ATOM 1055 CB ASP A 68 27.487 6.567 -4.224 1.00 0.00 C ATOM 1056 CG ASP A 68 28.695 5.689 -4.482 1.00 0.00 C ATOM 1057 OD1 ASP A 68 29.831 6.194 -4.365 1.00 0.00 O ATOM 1058 OD2 ASP A 68 28.506 4.496 -4.800 1.00 0.00 O ATOM 0 H ASP A 68 25.712 8.110 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 68 28.458 7.217 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 68 26.646 5.943 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.199 7.065 -5.150 1.00 0.00 H new ATOM 1063 N ASN A 69 27.992 10.030 -3.230 1.00 0.00 N ATOM 1064 CA ASN A 69 28.497 11.300 -3.738 1.00 0.00 C ATOM 1065 C ASN A 69 28.102 11.497 -5.199 1.00 0.00 C ATOM 1066 O ASN A 69 28.800 12.169 -5.957 1.00 0.00 O ATOM 1067 CB ASN A 69 30.019 11.361 -3.597 1.00 0.00 C ATOM 1068 CG ASN A 69 30.459 11.547 -2.158 1.00 0.00 C ATOM 1069 OD1 ASN A 69 31.133 10.690 -1.587 1.00 0.00 O ATOM 1070 ND2 ASN A 69 30.077 12.672 -1.563 1.00 0.00 N ATOM 0 H ASN A 69 27.352 10.116 -2.440 1.00 0.00 H new ATOM 0 HA ASN A 69 28.052 12.101 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.455 10.443 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.405 12.182 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.342 12.852 -0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.519 13.355 -2.075 1.00 0.00 H new ATOM 1077 N GLY A 70 26.976 10.905 -5.587 1.00 0.00 N ATOM 1078 CA GLY A 70 26.508 11.027 -6.955 1.00 0.00 C ATOM 1079 C GLY A 70 27.282 10.145 -7.915 1.00 0.00 C ATOM 1080 O GLY A 70 27.527 10.528 -9.058 1.00 0.00 O ATOM 0 H GLY A 70 26.380 10.344 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.451 10.765 -6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.592 12.066 -7.273 1.00 0.00 H new ATOM 1084 N GLN A 71 27.669 8.963 -7.448 1.00 0.00 N ATOM 1085 CA GLN A 71 28.423 8.026 -8.272 1.00 0.00 C ATOM 1086 C GLN A 71 27.485 7.097 -9.036 1.00 0.00 C ATOM 1087 O GLN A 71 27.456 7.103 -10.267 1.00 0.00 O ATOM 1088 CB GLN A 71 29.379 7.205 -7.405 1.00 0.00 C ATOM 1089 CG GLN A 71 29.966 5.999 -8.121 1.00 0.00 C ATOM 1090 CD GLN A 71 30.983 6.385 -9.176 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.189 6.239 -8.975 1.00 0.00 O ATOM 1092 NE2 GLN A 71 30.501 6.882 -10.309 1.00 0.00 N ATOM 0 H GLN A 71 27.473 8.631 -6.504 1.00 0.00 H new ATOM 0 HA GLN A 71 29.003 8.601 -8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 71 30.192 7.847 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.849 6.866 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 71 30.438 5.342 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.161 5.431 -8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 71 29.494 6.986 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.138 7.160 -11.056 1.00 0.00 H new ATOM 1101 N ARG A 72 26.720 6.299 -8.298 1.00 0.00 N ATOM 1102 CA ARG A 72 25.783 5.362 -8.906 1.00 0.00 C ATOM 1103 C ARG A 72 25.154 5.960 -10.161 1.00 0.00 C ATOM 1104 O ARG A 72 25.281 5.410 -11.256 1.00 0.00 O ATOM 1105 CB ARG A 72 24.691 4.979 -7.907 1.00 0.00 C ATOM 1106 CG ARG A 72 23.677 3.991 -8.461 1.00 0.00 C ATOM 1107 CD ARG A 72 22.956 3.249 -7.346 1.00 0.00 C ATOM 1108 NE ARG A 72 23.854 2.364 -6.608 1.00 0.00 N ATOM 1109 CZ ARG A 72 23.466 1.609 -5.587 1.00 0.00 C ATOM 1110 NH1 ARG A 72 22.202 1.630 -5.185 1.00 0.00 N ATOM 1111 NH2 ARG A 72 24.342 0.830 -4.965 1.00 0.00 N ATOM 0 H ARG A 72 26.731 6.283 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 72 26.336 4.466 -9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 72 25.157 4.550 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.169 5.881 -7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.950 4.521 -9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.182 3.275 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.512 3.969 -6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.138 2.665 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 72 24.833 2.324 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.525 2.227 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.907 1.049 -4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.315 0.811 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.043 0.251 -4.181 1.00 0.00 H new ATOM 1125 N LEU A 73 24.473 7.089 -9.994 1.00 0.00 N ATOM 1126 CA LEU A 73 23.821 7.762 -11.112 1.00 0.00 C ATOM 1127 C LEU A 73 24.807 8.006 -12.250 1.00 0.00 C ATOM 1128 O LEU A 73 24.598 7.551 -13.376 1.00 0.00 O ATOM 1129 CB LEU A 73 23.216 9.089 -10.652 1.00 0.00 C ATOM 1130 CG LEU A 73 22.492 9.904 -11.724 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.347 9.101 -12.322 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.979 11.214 -11.142 1.00 0.00 C ATOM 0 H LEU A 73 24.358 7.557 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 73 23.024 7.115 -11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.514 8.884 -9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.013 9.703 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 73 23.201 10.135 -12.519 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.843 9.697 -13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.739 8.190 -12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.637 8.840 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.466 11.781 -11.919 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.285 11.004 -10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.818 11.796 -10.761 1.00 0.00 H new ATOM 1144 N LEU A 74 25.882 8.726 -11.950 1.00 0.00 N ATOM 1145 CA LEU A 74 26.902 9.030 -12.948 1.00 0.00 C ATOM 1146 C LEU A 74 27.258 7.788 -13.759 1.00 0.00 C ATOM 1147 O LEU A 74 27.449 7.862 -14.973 1.00 0.00 O ATOM 1148 CB LEU A 74 28.156 9.588 -12.271 1.00 0.00 C ATOM 1149 CG LEU A 74 28.127 11.077 -11.928 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.474 11.525 -11.382 1.00 0.00 C ATOM 1151 CD2 LEU A 74 27.746 11.899 -13.151 1.00 0.00 C ATOM 0 H LEU A 74 26.070 9.110 -11.024 1.00 0.00 H new ATOM 0 HA LEU A 74 26.498 9.781 -13.627 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.329 9.027 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 74 29.010 9.402 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 74 27.373 11.238 -11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.435 12.588 -11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.708 10.959 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.247 11.350 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 74 27.730 12.957 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.476 11.733 -13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 26.758 11.597 -13.499 1.00 0.00 H new ATOM 1163 N ASP A 75 27.343 6.649 -13.080 1.00 0.00 N ATOM 1164 CA ASP A 75 27.672 5.390 -13.739 1.00 0.00 C ATOM 1165 C ASP A 75 26.539 4.947 -14.660 1.00 0.00 C ATOM 1166 O ASP A 75 26.780 4.442 -15.756 1.00 0.00 O ATOM 1167 CB ASP A 75 27.954 4.305 -12.698 1.00 0.00 C ATOM 1168 CG ASP A 75 28.945 3.271 -13.195 1.00 0.00 C ATOM 1169 OD1 ASP A 75 29.743 3.599 -14.098 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.925 2.134 -12.679 1.00 0.00 O ATOM 0 H ASP A 75 27.189 6.572 -12.075 1.00 0.00 H new ATOM 0 HA ASP A 75 28.566 5.546 -14.342 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.341 4.768 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.020 3.810 -12.431 1.00 0.00 H new ATOM 1175 N MET A 76 25.305 5.140 -14.207 1.00 0.00 N ATOM 1176 CA MET A 76 24.136 4.760 -14.991 1.00 0.00 C ATOM 1177 C MET A 76 24.034 5.602 -16.259 1.00 0.00 C ATOM 1178 O MET A 76 23.598 5.118 -17.304 1.00 0.00 O ATOM 1179 CB MET A 76 22.863 4.917 -14.158 1.00 0.00 C ATOM 1180 CG MET A 76 22.611 3.758 -13.207 1.00 0.00 C ATOM 1181 SD MET A 76 22.548 2.167 -14.054 1.00 0.00 S ATOM 1182 CE MET A 76 21.341 2.512 -15.332 1.00 0.00 C ATOM 0 H MET A 76 25.089 5.557 -13.302 1.00 0.00 H new ATOM 0 HA MET A 76 24.247 3.714 -15.278 1.00 0.00 H new ATOM 0 HB2 MET A 76 22.927 5.841 -13.583 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.010 5.018 -14.829 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.398 3.733 -12.454 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.671 3.923 -12.681 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.852 1.585 -15.631 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.595 3.208 -14.949 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.840 2.953 -16.195 1.00 0.00 H new ATOM 1192 N ILE A 77 24.439 6.864 -16.160 1.00 0.00 N ATOM 1193 CA ILE A 77 24.394 7.772 -17.299 1.00 0.00 C ATOM 1194 C ILE A 77 25.585 7.552 -18.225 1.00 0.00 C ATOM 1195 O ILE A 77 25.445 7.571 -19.447 1.00 0.00 O ATOM 1196 CB ILE A 77 24.377 9.244 -16.845 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.261 9.472 -15.823 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.202 10.166 -18.043 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.198 10.892 -15.304 1.00 0.00 C ATOM 0 H ILE A 77 24.802 7.281 -15.303 1.00 0.00 H new ATOM 0 HA ILE A 77 23.472 7.555 -17.839 1.00 0.00 H new ATOM 0 HB ILE A 77 25.331 9.474 -16.371 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.304 9.218 -16.279 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.404 8.793 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.192 11.203 -17.706 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.028 10.019 -18.739 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.261 9.938 -18.543 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.384 10.981 -14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.141 11.144 -14.819 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.024 11.576 -16.135 1.00 0.00 H new ATOM 1211 N GLU A 78 26.757 7.341 -17.634 1.00 0.00 N ATOM 1212 CA GLU A 78 27.972 7.115 -18.407 1.00 0.00 C ATOM 1213 C GLU A 78 27.714 6.142 -19.554 1.00 0.00 C ATOM 1214 O GLU A 78 28.167 6.355 -20.679 1.00 0.00 O ATOM 1215 CB GLU A 78 29.084 6.573 -17.505 1.00 0.00 C ATOM 1216 CG GLU A 78 30.481 6.943 -17.973 1.00 0.00 C ATOM 1217 CD GLU A 78 31.046 5.947 -18.967 1.00 0.00 C ATOM 1218 OE1 GLU A 78 30.248 5.318 -19.693 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.284 5.798 -19.020 1.00 0.00 O ATOM 0 H GLU A 78 26.890 7.322 -16.623 1.00 0.00 H new ATOM 0 HA GLU A 78 28.287 8.070 -18.827 1.00 0.00 H new ATOM 0 HB2 GLU A 78 28.937 6.951 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.002 5.487 -17.454 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.457 7.932 -18.430 1.00 0.00 H new ATOM 0 HG3 GLU A 78 31.144 7.006 -17.110 1.00 0.00 H new ATOM 1226 N THR A 79 26.983 5.071 -19.260 1.00 0.00 N ATOM 1227 CA THR A 79 26.664 4.064 -20.265 1.00 0.00 C ATOM 1228 C THR A 79 25.740 4.630 -21.336 1.00 0.00 C ATOM 1229 O THR A 79 25.752 4.179 -22.483 1.00 0.00 O ATOM 1230 CB THR A 79 26.000 2.828 -19.630 1.00 0.00 C ATOM 1231 OG1 THR A 79 25.860 1.790 -20.607 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.635 3.180 -19.059 1.00 0.00 C ATOM 0 H THR A 79 26.601 4.879 -18.334 1.00 0.00 H new ATOM 0 HA THR A 79 27.606 3.765 -20.724 1.00 0.00 H new ATOM 0 HB THR A 79 26.637 2.479 -18.818 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.438 1.007 -20.195 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.186 2.291 -18.616 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.748 3.949 -18.295 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.992 3.552 -19.856 1.00 0.00 H new ATOM 1240 N LEU A 80 24.939 5.619 -20.958 1.00 0.00 N ATOM 1241 CA LEU A 80 24.007 6.248 -21.887 1.00 0.00 C ATOM 1242 C LEU A 80 24.752 7.078 -22.928 1.00 0.00 C ATOM 1243 O LEU A 80 24.331 7.172 -24.081 1.00 0.00 O ATOM 1244 CB LEU A 80 23.016 7.132 -21.128 1.00 0.00 C ATOM 1245 CG LEU A 80 22.167 6.430 -20.068 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.114 7.377 -19.514 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.514 5.183 -20.647 1.00 0.00 C ATOM 0 H LEU A 80 24.916 6.003 -20.013 1.00 0.00 H new ATOM 0 HA LEU A 80 23.459 5.459 -22.402 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.572 7.936 -20.646 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.347 7.597 -21.852 1.00 0.00 H new ATOM 0 HG LEU A 80 22.820 6.127 -19.250 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.519 6.860 -18.761 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.603 8.240 -19.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.464 7.712 -20.323 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.914 4.696 -19.878 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.874 5.463 -21.484 1.00 0.00 H new ATOM 0 HD23 LEU A 80 22.286 4.496 -20.994 1.00 0.00 H new ATOM 1259 N LYS A 81 25.863 7.677 -22.514 1.00 0.00 N ATOM 1260 CA LYS A 81 26.670 8.498 -23.409 1.00 0.00 C ATOM 1261 C LYS A 81 27.438 7.628 -24.399 1.00 0.00 C ATOM 1262 O LYS A 81 27.227 7.715 -25.609 1.00 0.00 O ATOM 1263 CB LYS A 81 27.647 9.358 -22.604 1.00 0.00 C ATOM 1264 CG LYS A 81 27.035 10.646 -22.082 1.00 0.00 C ATOM 1265 CD LYS A 81 26.498 10.476 -20.671 1.00 0.00 C ATOM 1266 CE LYS A 81 27.552 10.816 -19.628 1.00 0.00 C ATOM 1267 NZ LYS A 81 27.163 10.343 -18.271 1.00 0.00 N ATOM 0 H LYS A 81 26.226 7.609 -21.563 1.00 0.00 H new ATOM 0 HA LYS A 81 25.999 9.150 -23.969 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.022 8.776 -21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.505 9.601 -23.230 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.785 11.437 -22.094 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.228 10.961 -22.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.627 11.117 -20.532 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.163 9.448 -20.530 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.502 10.364 -19.911 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.706 11.895 -19.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.016 10.085 -17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 26.656 11.101 -17.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 26.544 9.512 -18.357 1.00 0.00 H new ATOM 1281 N MET A 82 28.328 6.790 -23.878 1.00 0.00 N ATOM 1282 CA MET A 82 29.126 5.904 -24.718 1.00 0.00 C ATOM 1283 C MET A 82 28.309 5.395 -25.901 1.00 0.00 C ATOM 1284 O MET A 82 28.820 5.278 -27.014 1.00 0.00 O ATOM 1285 CB MET A 82 29.648 4.723 -23.897 1.00 0.00 C ATOM 1286 CG MET A 82 28.645 3.590 -23.757 1.00 0.00 C ATOM 1287 SD MET A 82 29.377 2.095 -23.065 1.00 0.00 S ATOM 1288 CE MET A 82 30.133 2.746 -21.577 1.00 0.00 C ATOM 0 H MET A 82 28.515 6.706 -22.879 1.00 0.00 H new ATOM 0 HA MET A 82 29.973 6.473 -25.102 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.555 4.339 -24.364 1.00 0.00 H new ATOM 0 HB3 MET A 82 29.926 5.076 -22.904 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.822 3.915 -23.120 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.221 3.363 -24.735 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.022 2.025 -20.767 1.00 0.00 H new ATOM 0 HE2 MET A 82 31.192 2.929 -21.757 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.645 3.681 -21.300 1.00 0.00 H new