USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 180:sc= -1.25 USER MOD Set 1.2: A 70 SER OG : rot -92:sc= 1.22 USER MOD Single : A 15 MET CE :methyl -128:sc= -1.61 (180deg=-3.05) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -6:sc= 0.0455 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 143:sc= -2.11 (180deg=-3.97!) USER MOD Single : A 36 GLN : amide:sc= -0.265 K(o=-0.27,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.5!) USER MOD Single : A 42 GLN : amide:sc=-0.00947 X(o=-0.0095,f=0) USER MOD Single : A 44 SER OG : rot -69:sc= -2.15! USER MOD Single : A 46 CYS SG : rot -39:sc= -1.33 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.2) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 53:sc= -2.07 USER MOD Single : A 63 MET CE :methyl -175:sc= -0.0157 (180deg=-0.067) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 72 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.259 -9.077 8.392 1.00 0.00 N ATOM 186 CA MET A 15 8.088 -7.897 8.573 1.00 0.00 C ATOM 187 C MET A 15 7.313 -6.624 8.229 1.00 0.00 C ATOM 188 O MET A 15 6.318 -6.674 7.507 1.00 0.00 O ATOM 189 CB MET A 15 9.324 -8.000 7.677 1.00 0.00 C ATOM 190 CG MET A 15 8.926 -8.236 6.218 1.00 0.00 C ATOM 191 SD MET A 15 10.043 -7.364 5.133 1.00 0.00 S ATOM 192 CE MET A 15 9.351 -5.722 5.229 1.00 0.00 C ATOM 0 HA MET A 15 8.389 -7.844 9.619 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.911 -7.085 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.960 -8.816 8.021 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.947 -9.303 5.994 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.904 -7.896 6.051 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.174 -5.342 4.223 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.408 -5.756 5.775 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.048 -5.063 5.748 1.00 0.00 H new ATOM 202 N THR A 16 7.797 -5.512 8.762 1.00 0.00 N ATOM 203 CA THR A 16 7.162 -4.228 8.521 1.00 0.00 C ATOM 204 C THR A 16 8.063 -3.341 7.659 1.00 0.00 C ATOM 205 O THR A 16 9.267 -3.258 7.895 1.00 0.00 O ATOM 206 CB THR A 16 6.818 -3.608 9.877 1.00 0.00 C ATOM 207 OG1 THR A 16 6.046 -4.611 10.531 1.00 0.00 O ATOM 208 CG2 THR A 16 5.860 -2.422 9.752 1.00 0.00 C ATOM 0 H THR A 16 8.622 -5.474 9.360 1.00 0.00 H new ATOM 0 HA THR A 16 6.237 -4.344 7.957 1.00 0.00 H new ATOM 0 HB THR A 16 7.734 -3.284 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.782 -4.293 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.649 -2.019 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.317 -1.648 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.930 -2.752 9.289 1.00 0.00 H new ATOM 216 N GLU A 17 7.444 -2.701 6.677 1.00 0.00 N ATOM 217 CA GLU A 17 8.175 -1.823 5.779 1.00 0.00 C ATOM 218 C GLU A 17 7.490 -0.458 5.697 1.00 0.00 C ATOM 219 O GLU A 17 6.267 -0.367 5.785 1.00 0.00 O ATOM 220 CB GLU A 17 8.313 -2.452 4.391 1.00 0.00 C ATOM 221 CG GLU A 17 9.080 -1.527 3.444 1.00 0.00 C ATOM 222 CD GLU A 17 10.579 -1.550 3.749 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.081 -2.657 4.044 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.189 -0.462 3.681 1.00 0.00 O ATOM 0 H GLU A 17 6.445 -2.773 6.484 1.00 0.00 H new ATOM 0 HA GLU A 17 9.179 -1.680 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.831 -3.408 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.324 -2.659 3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.911 -1.835 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.702 -0.509 3.539 1.00 0.00 H new ATOM 231 N GLU A 18 8.309 0.570 5.530 1.00 0.00 N ATOM 232 CA GLU A 18 7.797 1.927 5.435 1.00 0.00 C ATOM 233 C GLU A 18 7.938 2.449 4.004 1.00 0.00 C ATOM 234 O GLU A 18 9.046 2.714 3.542 1.00 0.00 O ATOM 235 CB GLU A 18 8.507 2.851 6.427 1.00 0.00 C ATOM 236 CG GLU A 18 7.932 4.267 6.365 1.00 0.00 C ATOM 237 CD GLU A 18 8.254 5.047 7.641 1.00 0.00 C ATOM 238 OE1 GLU A 18 9.402 5.532 7.735 1.00 0.00 O ATOM 239 OE2 GLU A 18 7.345 5.139 8.494 1.00 0.00 O ATOM 0 H GLU A 18 9.323 0.491 5.458 1.00 0.00 H new ATOM 0 HA GLU A 18 6.738 1.914 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.401 2.456 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.574 2.878 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.341 4.792 5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.852 4.219 6.227 1.00 0.00 H new ATOM 246 N TYR A 19 6.798 2.579 3.341 1.00 0.00 N ATOM 247 CA TYR A 19 6.779 3.065 1.972 1.00 0.00 C ATOM 248 C TYR A 19 6.022 4.390 1.870 1.00 0.00 C ATOM 249 O TYR A 19 4.912 4.516 2.385 1.00 0.00 O ATOM 250 CB TYR A 19 6.037 2.003 1.158 1.00 0.00 C ATOM 251 CG TYR A 19 6.214 2.142 -0.355 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.475 2.073 -0.911 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.113 2.336 -1.164 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.642 2.204 -2.336 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.279 2.466 -2.588 1.00 0.00 C ATOM 256 CZ TYR A 19 6.536 2.394 -3.104 1.00 0.00 C ATOM 257 OH TYR A 19 6.693 2.518 -4.449 1.00 0.00 O ATOM 0 H TYR A 19 5.881 2.356 3.727 1.00 0.00 H new ATOM 0 HA TYR A 19 7.793 3.235 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.384 1.016 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.974 2.055 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.337 1.921 -0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.126 2.390 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.623 2.152 -2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.425 2.617 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 19 7.648 2.544 -4.666 1.00 0.00 H new ATOM 267 N LYS A 20 6.652 5.345 1.201 1.00 0.00 N ATOM 268 CA LYS A 20 6.051 6.656 1.025 1.00 0.00 C ATOM 269 C LYS A 20 5.473 6.762 -0.388 1.00 0.00 C ATOM 270 O LYS A 20 6.086 6.302 -1.350 1.00 0.00 O ATOM 271 CB LYS A 20 7.060 7.757 1.360 1.00 0.00 C ATOM 272 CG LYS A 20 7.122 8.002 2.869 1.00 0.00 C ATOM 273 CD LYS A 20 7.081 9.499 3.183 1.00 0.00 C ATOM 274 CE LYS A 20 8.053 9.849 4.312 1.00 0.00 C ATOM 275 NZ LYS A 20 9.318 10.382 3.759 1.00 0.00 N ATOM 0 H LYS A 20 7.572 5.237 0.775 1.00 0.00 H new ATOM 0 HA LYS A 20 5.222 6.792 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.047 7.475 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.781 8.679 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.286 7.501 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.035 7.566 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.336 10.069 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.069 9.787 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.600 10.586 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.257 8.963 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.967 10.615 4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.757 9.667 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.121 11.240 3.205 1.00 0.00 H new ATOM 289 N VAL A 21 4.298 7.370 -0.468 1.00 0.00 N ATOM 290 CA VAL A 21 3.630 7.541 -1.747 1.00 0.00 C ATOM 291 C VAL A 21 3.149 8.988 -1.876 1.00 0.00 C ATOM 292 O VAL A 21 3.004 9.689 -0.876 1.00 0.00 O ATOM 293 CB VAL A 21 2.499 6.521 -1.887 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.052 5.130 -2.204 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.628 6.491 -0.630 1.00 0.00 C ATOM 0 H VAL A 21 3.792 7.750 0.332 1.00 0.00 H new ATOM 0 HA VAL A 21 4.322 7.353 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 21 1.871 6.831 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.227 4.423 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.609 5.165 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.714 4.810 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.832 5.757 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.240 6.218 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.191 7.476 -0.466 1.00 0.00 H new ATOM 305 N PRO A 22 2.909 9.402 -3.149 1.00 0.00 N ATOM 306 CA PRO A 22 2.448 10.753 -3.421 1.00 0.00 C ATOM 307 C PRO A 22 0.971 10.912 -3.054 1.00 0.00 C ATOM 308 O PRO A 22 0.110 10.247 -3.628 1.00 0.00 O ATOM 309 CB PRO A 22 2.719 10.970 -4.901 1.00 0.00 C ATOM 310 CG PRO A 22 2.889 9.584 -5.501 1.00 0.00 C ATOM 311 CD PRO A 22 3.070 8.599 -4.357 1.00 0.00 C ATOM 0 HA PRO A 22 2.964 11.503 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.894 11.502 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.615 11.573 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.018 9.318 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.752 9.559 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.331 7.799 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.052 8.128 -4.392 1.00 0.00 H new ATOM 319 N ASP A 23 0.723 11.798 -2.101 1.00 0.00 N ATOM 320 CA ASP A 23 -0.634 12.054 -1.651 1.00 0.00 C ATOM 321 C ASP A 23 -1.518 12.363 -2.860 1.00 0.00 C ATOM 322 O ASP A 23 -2.733 12.172 -2.811 1.00 0.00 O ATOM 323 CB ASP A 23 -0.685 13.257 -0.708 1.00 0.00 C ATOM 324 CG ASP A 23 -0.744 14.620 -1.401 1.00 0.00 C ATOM 325 OD1 ASP A 23 0.217 14.923 -2.140 1.00 0.00 O ATOM 326 OD2 ASP A 23 -1.750 15.328 -1.176 1.00 0.00 O ATOM 0 H ASP A 23 1.440 12.348 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.986 11.168 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.557 13.157 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.194 13.232 -0.063 1.00 0.00 H new ATOM 331 N GLY A 24 -0.875 12.836 -3.918 1.00 0.00 N ATOM 332 CA GLY A 24 -1.588 13.174 -5.138 1.00 0.00 C ATOM 333 C GLY A 24 -1.990 11.913 -5.905 1.00 0.00 C ATOM 334 O GLY A 24 -2.610 11.997 -6.964 1.00 0.00 O ATOM 0 H GLY A 24 0.132 12.993 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.478 13.755 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.959 13.803 -5.769 1.00 0.00 H new ATOM 338 N MET A 25 -1.620 10.772 -5.341 1.00 0.00 N ATOM 339 CA MET A 25 -1.934 9.495 -5.959 1.00 0.00 C ATOM 340 C MET A 25 -2.633 8.564 -4.967 1.00 0.00 C ATOM 341 O MET A 25 -3.604 7.894 -5.318 1.00 0.00 O ATOM 342 CB MET A 25 -0.645 8.838 -6.456 1.00 0.00 C ATOM 343 CG MET A 25 0.031 9.696 -7.528 1.00 0.00 C ATOM 344 SD MET A 25 -1.099 9.985 -8.879 1.00 0.00 S ATOM 345 CE MET A 25 -1.121 8.361 -9.619 1.00 0.00 C ATOM 0 H MET A 25 -1.106 10.706 -4.463 1.00 0.00 H new ATOM 0 HA MET A 25 -2.607 9.673 -6.797 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.038 8.690 -5.619 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.869 7.852 -6.863 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.348 10.646 -7.099 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.928 9.196 -7.894 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.126 8.138 -9.977 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.423 8.333 -10.456 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.828 7.619 -8.877 1.00 0.00 H new ATOM 355 N VAL A 26 -2.113 8.550 -3.749 1.00 0.00 N ATOM 356 CA VAL A 26 -2.675 7.712 -2.704 1.00 0.00 C ATOM 357 C VAL A 26 -4.201 7.823 -2.733 1.00 0.00 C ATOM 358 O VAL A 26 -4.900 6.811 -2.735 1.00 0.00 O ATOM 359 CB VAL A 26 -2.073 8.090 -1.349 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.840 9.251 -0.713 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.031 6.881 -0.412 1.00 0.00 C ATOM 0 H VAL A 26 -1.308 9.106 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.422 6.666 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.048 8.419 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.392 9.500 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.795 10.120 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.880 8.962 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.599 7.176 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.043 6.508 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.421 6.096 -0.859 1.00 0.00 H new ATOM 371 N GLY A 27 -4.671 9.061 -2.754 1.00 0.00 N ATOM 372 CA GLY A 27 -6.101 9.318 -2.783 1.00 0.00 C ATOM 373 C GLY A 27 -6.785 8.494 -3.876 1.00 0.00 C ATOM 374 O GLY A 27 -7.952 8.131 -3.746 1.00 0.00 O ATOM 0 H GLY A 27 -4.087 9.897 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.537 9.076 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.280 10.379 -2.957 1.00 0.00 H new ATOM 378 N PHE A 28 -6.027 8.224 -4.929 1.00 0.00 N ATOM 379 CA PHE A 28 -6.545 7.450 -6.045 1.00 0.00 C ATOM 380 C PHE A 28 -6.199 5.967 -5.891 1.00 0.00 C ATOM 381 O PHE A 28 -6.841 5.111 -6.496 1.00 0.00 O ATOM 382 CB PHE A 28 -5.877 7.988 -7.311 1.00 0.00 C ATOM 383 CG PHE A 28 -5.769 6.963 -8.442 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.852 6.219 -8.791 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.589 6.795 -9.097 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.752 5.268 -9.840 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.488 5.844 -10.146 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.572 5.100 -10.495 1.00 0.00 C ATOM 0 H PHE A 28 -5.059 8.527 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.630 7.540 -6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.440 8.850 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.877 8.343 -7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.789 6.352 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.728 7.385 -8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.613 4.678 -10.118 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.551 5.711 -10.667 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.496 4.376 -11.292 1.00 0.00 H new ATOM 398 N ILE A 29 -5.186 5.710 -5.077 1.00 0.00 N ATOM 399 CA ILE A 29 -4.747 4.346 -4.836 1.00 0.00 C ATOM 400 C ILE A 29 -5.852 3.582 -4.103 1.00 0.00 C ATOM 401 O ILE A 29 -6.135 2.430 -4.428 1.00 0.00 O ATOM 402 CB ILE A 29 -3.403 4.337 -4.104 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.311 4.988 -4.955 1.00 0.00 C ATOM 404 CG2 ILE A 29 -3.024 2.919 -3.672 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.921 4.673 -4.399 1.00 0.00 C ATOM 0 H ILE A 29 -4.656 6.423 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.573 3.829 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.503 4.934 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.385 4.632 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.460 6.067 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.065 2.940 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.789 2.526 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.947 2.279 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.164 5.148 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.842 5.052 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.766 3.594 -4.398 1.00 0.00 H new ATOM 417 N ILE A 30 -6.445 4.254 -3.127 1.00 0.00 N ATOM 418 CA ILE A 30 -7.512 3.652 -2.346 1.00 0.00 C ATOM 419 C ILE A 30 -8.602 3.139 -3.288 1.00 0.00 C ATOM 420 O ILE A 30 -8.927 1.953 -3.280 1.00 0.00 O ATOM 421 CB ILE A 30 -8.024 4.636 -1.291 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.864 5.383 -0.629 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.910 3.927 -0.265 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.907 6.874 -0.968 1.00 0.00 C ATOM 0 H ILE A 30 -6.207 5.209 -2.859 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.139 2.791 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.643 5.381 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.911 5.251 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.917 4.958 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.261 4.648 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.766 3.480 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.336 3.147 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.072 7.381 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.835 7.004 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.845 7.301 -0.613 1.00 0.00 H new ATOM 436 N GLY A 31 -9.137 4.058 -4.079 1.00 0.00 N ATOM 437 CA GLY A 31 -10.183 3.714 -5.026 1.00 0.00 C ATOM 438 C GLY A 31 -11.566 4.034 -4.455 1.00 0.00 C ATOM 439 O GLY A 31 -11.681 4.750 -3.462 1.00 0.00 O ATOM 0 H GLY A 31 -8.865 5.041 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.033 4.264 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.123 2.653 -5.270 1.00 0.00 H new ATOM 481 N GLU A 35 -11.172 -0.231 -3.034 1.00 0.00 N ATOM 482 CA GLU A 35 -11.120 -1.432 -3.851 1.00 0.00 C ATOM 483 C GLU A 35 -9.857 -1.430 -4.716 1.00 0.00 C ATOM 484 O GLU A 35 -9.307 -2.488 -5.018 1.00 0.00 O ATOM 485 CB GLU A 35 -12.376 -1.563 -4.714 1.00 0.00 C ATOM 486 CG GLU A 35 -12.249 -0.736 -5.995 1.00 0.00 C ATOM 487 CD GLU A 35 -13.628 -0.399 -6.568 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.485 0.032 -5.767 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.792 -0.579 -7.794 1.00 0.00 O ATOM 0 HA GLU A 35 -11.083 -2.297 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.540 -2.610 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.247 -1.232 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.703 0.184 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.669 -1.290 -6.734 1.00 0.00 H new ATOM 496 N GLN A 36 -9.436 -0.231 -5.089 1.00 0.00 N ATOM 497 CA GLN A 36 -8.249 -0.078 -5.913 1.00 0.00 C ATOM 498 C GLN A 36 -7.015 -0.590 -5.167 1.00 0.00 C ATOM 499 O GLN A 36 -6.126 -1.189 -5.769 1.00 0.00 O ATOM 500 CB GLN A 36 -8.065 1.379 -6.344 1.00 0.00 C ATOM 501 CG GLN A 36 -6.781 1.551 -7.158 1.00 0.00 C ATOM 502 CD GLN A 36 -7.085 1.590 -8.658 1.00 0.00 C ATOM 503 OE1 GLN A 36 -8.227 1.587 -9.086 1.00 0.00 O ATOM 504 NE2 GLN A 36 -6.001 1.627 -9.428 1.00 0.00 N ATOM 0 H GLN A 36 -9.895 0.644 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.377 -0.676 -6.815 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.922 1.697 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.031 2.021 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.278 2.471 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.097 0.730 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.074 1.627 -9.003 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.097 1.655 -10.443 1.00 0.00 H new ATOM 513 N ILE A 37 -7.001 -0.334 -3.867 1.00 0.00 N ATOM 514 CA ILE A 37 -5.891 -0.762 -3.033 1.00 0.00 C ATOM 515 C ILE A 37 -6.064 -2.241 -2.680 1.00 0.00 C ATOM 516 O ILE A 37 -5.087 -2.985 -2.616 1.00 0.00 O ATOM 517 CB ILE A 37 -5.757 0.150 -1.811 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.321 0.150 -1.283 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.767 -0.233 -0.728 1.00 0.00 C ATOM 520 CD1 ILE A 37 -4.116 -0.962 -0.252 1.00 0.00 C ATOM 0 H ILE A 37 -7.740 0.164 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.950 -0.671 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.987 1.170 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.625 0.016 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.096 1.116 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.651 0.430 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.778 -0.140 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.593 -1.263 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.087 -0.940 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.796 -0.811 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.318 -1.928 -0.714 1.00 0.00 H new ATOM 532 N SER A 38 -7.314 -2.622 -2.462 1.00 0.00 N ATOM 533 CA SER A 38 -7.626 -3.999 -2.118 1.00 0.00 C ATOM 534 C SER A 38 -7.039 -4.946 -3.165 1.00 0.00 C ATOM 535 O SER A 38 -6.475 -5.984 -2.822 1.00 0.00 O ATOM 536 CB SER A 38 -9.138 -4.207 -2.001 1.00 0.00 C ATOM 537 OG SER A 38 -9.466 -5.203 -1.036 1.00 0.00 O ATOM 0 H SER A 38 -8.122 -2.002 -2.517 1.00 0.00 H new ATOM 0 HA SER A 38 -7.180 -4.220 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.613 -3.265 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.541 -4.496 -2.972 1.00 0.00 H new ATOM 0 HG SER A 38 -10.440 -5.305 -0.989 1.00 0.00 H new ATOM 543 N ARG A 39 -7.192 -4.556 -4.422 1.00 0.00 N ATOM 544 CA ARG A 39 -6.684 -5.358 -5.522 1.00 0.00 C ATOM 545 C ARG A 39 -5.166 -5.511 -5.410 1.00 0.00 C ATOM 546 O ARG A 39 -4.611 -6.537 -5.803 1.00 0.00 O ATOM 547 CB ARG A 39 -7.027 -4.723 -6.871 1.00 0.00 C ATOM 548 CG ARG A 39 -7.681 -5.742 -7.806 1.00 0.00 C ATOM 549 CD ARG A 39 -8.824 -5.103 -8.599 1.00 0.00 C ATOM 550 NE ARG A 39 -8.511 -5.126 -10.045 1.00 0.00 N ATOM 551 CZ ARG A 39 -7.769 -4.200 -10.668 1.00 0.00 C ATOM 552 NH1 ARG A 39 -7.259 -3.173 -9.975 1.00 0.00 N ATOM 553 NH2 ARG A 39 -7.536 -4.302 -11.984 1.00 0.00 N ATOM 0 H ARG A 39 -7.661 -3.695 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.157 -6.338 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.700 -3.879 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.121 -4.329 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.935 -6.141 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.062 -6.582 -7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.753 -5.641 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.978 -4.076 -8.268 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.883 -5.895 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.435 -3.096 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.694 -2.468 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.923 -5.084 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.971 -3.597 -12.458 1.00 0.00 H new ATOM 567 N ILE A 40 -4.536 -4.477 -4.872 1.00 0.00 N ATOM 568 CA ILE A 40 -3.093 -4.484 -4.703 1.00 0.00 C ATOM 569 C ILE A 40 -2.728 -5.367 -3.507 1.00 0.00 C ATOM 570 O ILE A 40 -1.725 -6.078 -3.539 1.00 0.00 O ATOM 571 CB ILE A 40 -2.559 -3.054 -4.597 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.148 -2.167 -5.696 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.029 -3.039 -4.606 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.819 -0.694 -5.445 1.00 0.00 C ATOM 0 H ILE A 40 -4.999 -3.628 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.609 -4.916 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.879 -2.638 -3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.753 -2.472 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.229 -2.300 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.675 -2.011 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.655 -3.616 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.666 -3.480 -5.535 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.249 -0.085 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.236 -0.386 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.737 -0.560 -5.430 1.00 0.00 H new ATOM 586 N GLN A 41 -3.563 -5.292 -2.481 1.00 0.00 N ATOM 587 CA GLN A 41 -3.340 -6.075 -1.277 1.00 0.00 C ATOM 588 C GLN A 41 -3.605 -7.557 -1.552 1.00 0.00 C ATOM 589 O GLN A 41 -2.967 -8.425 -0.959 1.00 0.00 O ATOM 590 CB GLN A 41 -4.209 -5.568 -0.125 1.00 0.00 C ATOM 591 CG GLN A 41 -3.644 -4.271 0.459 1.00 0.00 C ATOM 592 CD GLN A 41 -4.615 -3.653 1.466 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.381 -3.635 2.663 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.717 -3.150 0.916 1.00 0.00 N ATOM 0 H GLN A 41 -4.394 -4.702 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.297 -5.961 -0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.226 -5.399 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.265 -6.328 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.690 -4.473 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.448 -3.561 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.850 -3.198 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.428 -2.716 1.504 1.00 0.00 H new ATOM 603 N GLN A 42 -4.547 -7.800 -2.451 1.00 0.00 N ATOM 604 CA GLN A 42 -4.903 -9.162 -2.812 1.00 0.00 C ATOM 605 C GLN A 42 -3.977 -9.679 -3.914 1.00 0.00 C ATOM 606 O GLN A 42 -3.753 -10.884 -4.027 1.00 0.00 O ATOM 607 CB GLN A 42 -6.369 -9.250 -3.242 1.00 0.00 C ATOM 608 CG GLN A 42 -7.302 -9.161 -2.032 1.00 0.00 C ATOM 609 CD GLN A 42 -8.213 -10.388 -1.951 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.966 -10.694 -2.860 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.102 -11.070 -0.815 1.00 0.00 N ATOM 0 H GLN A 42 -5.075 -7.077 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.777 -9.794 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.596 -8.445 -3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.541 -10.188 -3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.712 -9.080 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.908 -8.258 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.451 -10.758 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.668 -11.905 -0.664 1.00 0.00 H new ATOM 620 N GLU A 43 -3.463 -8.744 -4.698 1.00 0.00 N ATOM 621 CA GLU A 43 -2.566 -9.090 -5.788 1.00 0.00 C ATOM 622 C GLU A 43 -1.216 -9.555 -5.236 1.00 0.00 C ATOM 623 O GLU A 43 -0.701 -10.596 -5.643 1.00 0.00 O ATOM 624 CB GLU A 43 -2.388 -7.912 -6.748 1.00 0.00 C ATOM 625 CG GLU A 43 -3.409 -7.974 -7.886 1.00 0.00 C ATOM 626 CD GLU A 43 -2.915 -8.877 -9.018 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.194 -10.092 -8.937 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.268 -8.331 -9.938 1.00 0.00 O ATOM 0 H GLU A 43 -3.650 -7.746 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.010 -9.911 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.501 -6.974 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.379 -7.922 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.360 -8.348 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.592 -6.970 -8.270 1.00 0.00 H new ATOM 635 N SER A 44 -0.682 -8.762 -4.319 1.00 0.00 N ATOM 636 CA SER A 44 0.597 -9.080 -3.708 1.00 0.00 C ATOM 637 C SER A 44 0.377 -9.859 -2.410 1.00 0.00 C ATOM 638 O SER A 44 1.329 -10.365 -1.817 1.00 0.00 O ATOM 639 CB SER A 44 1.407 -7.811 -3.435 1.00 0.00 C ATOM 640 OG SER A 44 0.616 -6.792 -2.832 1.00 0.00 O ATOM 0 H SER A 44 -1.112 -7.900 -3.984 1.00 0.00 H new ATOM 0 HA SER A 44 1.165 -9.698 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.247 -8.051 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.825 -7.439 -4.371 1.00 0.00 H new ATOM 0 HG SER A 44 -0.035 -6.455 -3.483 1.00 0.00 H new ATOM 646 N GLY A 45 -0.882 -9.931 -2.006 1.00 0.00 N ATOM 647 CA GLY A 45 -1.239 -10.640 -0.789 1.00 0.00 C ATOM 648 C GLY A 45 -0.524 -10.041 0.424 1.00 0.00 C ATOM 649 O GLY A 45 -0.281 -10.734 1.410 1.00 0.00 O ATOM 0 H GLY A 45 -1.669 -9.510 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.318 -10.593 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.976 -11.693 -0.887 1.00 0.00 H new ATOM 653 N CYS A 46 -0.207 -8.760 0.310 1.00 0.00 N ATOM 654 CA CYS A 46 0.475 -8.060 1.385 1.00 0.00 C ATOM 655 C CYS A 46 -0.500 -7.053 1.999 1.00 0.00 C ATOM 656 O CYS A 46 -1.473 -6.657 1.359 1.00 0.00 O ATOM 657 CB CYS A 46 1.758 -7.385 0.896 1.00 0.00 C ATOM 658 SG CYS A 46 3.123 -7.710 2.071 1.00 0.00 S ATOM 0 H CYS A 46 -0.410 -8.189 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 46 0.785 -8.775 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.022 -7.760 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.599 -6.311 0.798 1.00 0.00 H new ATOM 0 HG CYS A 46 2.671 -7.653 3.288 1.00 0.00 H new ATOM 664 N LYS A 47 -0.206 -6.668 3.232 1.00 0.00 N ATOM 665 CA LYS A 47 -1.045 -5.715 3.938 1.00 0.00 C ATOM 666 C LYS A 47 -0.518 -4.300 3.696 1.00 0.00 C ATOM 667 O LYS A 47 0.691 -4.091 3.604 1.00 0.00 O ATOM 668 CB LYS A 47 -1.149 -6.088 5.419 1.00 0.00 C ATOM 669 CG LYS A 47 -2.463 -5.585 6.020 1.00 0.00 C ATOM 670 CD LYS A 47 -2.254 -5.075 7.447 1.00 0.00 C ATOM 671 CE LYS A 47 -3.480 -5.360 8.316 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.067 -5.768 9.677 1.00 0.00 N ATOM 0 H LYS A 47 0.602 -6.999 3.760 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.064 -5.746 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.085 -7.170 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.308 -5.661 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.868 -4.785 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.198 -6.390 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.376 -5.552 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.058 -4.003 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.108 -4.471 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.081 -6.147 7.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.911 -5.958 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.486 -6.629 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.513 -5.005 10.115 1.00 0.00 H new ATOM 686 N ILE A 48 -1.451 -3.364 3.599 1.00 0.00 N ATOM 687 CA ILE A 48 -1.095 -1.974 3.369 1.00 0.00 C ATOM 688 C ILE A 48 -1.940 -1.079 4.278 1.00 0.00 C ATOM 689 O ILE A 48 -3.128 -0.879 4.029 1.00 0.00 O ATOM 690 CB ILE A 48 -1.215 -1.629 1.884 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.189 -2.406 1.056 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.107 -0.119 1.661 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.652 -2.552 -0.395 1.00 0.00 C ATOM 0 H ILE A 48 -2.453 -3.541 3.675 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.051 -1.800 3.630 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.203 -1.935 1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.772 -1.892 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.035 -3.393 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.196 0.099 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.906 0.387 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.142 0.234 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.095 -3.108 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.601 -3.088 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.781 -1.564 -0.837 1.00 0.00 H new ATOM 705 N GLN A 49 -1.293 -0.563 5.314 1.00 0.00 N ATOM 706 CA GLN A 49 -1.970 0.306 6.261 1.00 0.00 C ATOM 707 C GLN A 49 -1.659 1.772 5.953 1.00 0.00 C ATOM 708 O GLN A 49 -0.596 2.274 6.315 1.00 0.00 O ATOM 709 CB GLN A 49 -1.585 -0.046 7.700 1.00 0.00 C ATOM 710 CG GLN A 49 -2.644 -0.939 8.348 1.00 0.00 C ATOM 711 CD GLN A 49 -3.234 -0.275 9.594 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.587 0.498 10.282 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.494 -0.619 9.845 1.00 0.00 N ATOM 0 H GLN A 49 -0.308 -0.730 5.518 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.045 0.154 6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.621 -0.555 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.468 0.868 8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.439 -1.146 7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.201 -1.898 8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.977 -1.272 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.977 -0.230 10.655 1.00 0.00 H new ATOM 722 N ILE A 50 -2.605 2.417 5.287 1.00 0.00 N ATOM 723 CA ILE A 50 -2.445 3.816 4.926 1.00 0.00 C ATOM 724 C ILE A 50 -3.114 4.692 5.986 1.00 0.00 C ATOM 725 O ILE A 50 -4.215 4.387 6.444 1.00 0.00 O ATOM 726 CB ILE A 50 -2.961 4.065 3.507 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.531 2.941 2.562 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.524 5.440 2.998 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.971 3.234 1.126 1.00 0.00 C ATOM 0 H ILE A 50 -3.485 1.997 4.988 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.389 4.087 4.909 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.051 4.063 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.448 2.825 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.964 1.997 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.904 5.592 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.921 6.214 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.435 5.495 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.653 2.420 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.057 3.325 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.517 4.166 0.789 1.00 0.00 H new ATOM 741 N ALA A 51 -2.422 5.762 6.347 1.00 0.00 N ATOM 742 CA ALA A 51 -2.936 6.685 7.345 1.00 0.00 C ATOM 743 C ALA A 51 -4.187 7.374 6.799 1.00 0.00 C ATOM 744 O ALA A 51 -4.342 7.521 5.588 1.00 0.00 O ATOM 745 CB ALA A 51 -1.841 7.682 7.730 1.00 0.00 C ATOM 0 H ALA A 51 -1.509 6.011 5.966 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.223 6.151 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.226 8.374 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.986 7.144 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.529 8.239 6.847 1.00 0.00 H new ATOM 821 N PRO A 58 4.082 15.718 2.007 1.00 0.00 N ATOM 822 CA PRO A 58 3.872 15.574 0.576 1.00 0.00 C ATOM 823 C PRO A 58 3.612 14.113 0.205 1.00 0.00 C ATOM 824 O PRO A 58 2.924 13.830 -0.774 1.00 0.00 O ATOM 825 CB PRO A 58 5.132 16.134 -0.065 1.00 0.00 C ATOM 826 CG PRO A 58 6.187 16.143 1.029 1.00 0.00 C ATOM 827 CD PRO A 58 5.482 15.933 2.359 1.00 0.00 C ATOM 0 HA PRO A 58 2.990 16.110 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.448 15.519 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.961 17.139 -0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.921 15.356 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.728 17.089 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.892 15.076 2.893 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.598 16.800 3.010 1.00 0.00 H new ATOM 835 N GLU A 59 4.177 13.222 1.007 1.00 0.00 N ATOM 836 CA GLU A 59 4.015 11.797 0.775 1.00 0.00 C ATOM 837 C GLU A 59 3.301 11.144 1.960 1.00 0.00 C ATOM 838 O GLU A 59 3.595 11.454 3.114 1.00 0.00 O ATOM 839 CB GLU A 59 5.365 11.127 0.512 1.00 0.00 C ATOM 840 CG GLU A 59 5.989 11.641 -0.787 1.00 0.00 C ATOM 841 CD GLU A 59 7.192 12.541 -0.499 1.00 0.00 C ATOM 842 OE1 GLU A 59 8.025 12.125 0.336 1.00 0.00 O ATOM 843 OE2 GLU A 59 7.253 13.624 -1.120 1.00 0.00 O ATOM 0 H GLU A 59 4.748 13.460 1.818 1.00 0.00 H new ATOM 0 HA GLU A 59 3.400 11.662 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.040 11.321 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.233 10.047 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.301 10.798 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.244 12.195 -1.358 1.00 0.00 H new ATOM 850 N ARG A 60 2.376 10.253 1.635 1.00 0.00 N ATOM 851 CA ARG A 60 1.617 9.554 2.658 1.00 0.00 C ATOM 852 C ARG A 60 2.254 8.194 2.955 1.00 0.00 C ATOM 853 O ARG A 60 2.353 7.345 2.071 1.00 0.00 O ATOM 854 CB ARG A 60 0.166 9.345 2.221 1.00 0.00 C ATOM 855 CG ARG A 60 -0.538 8.331 3.125 1.00 0.00 C ATOM 856 CD ARG A 60 -1.859 8.893 3.655 1.00 0.00 C ATOM 857 NE ARG A 60 -2.957 8.576 2.715 1.00 0.00 N ATOM 858 CZ ARG A 60 -4.233 8.941 2.900 1.00 0.00 C ATOM 859 NH1 ARG A 60 -4.579 9.639 3.991 1.00 0.00 N ATOM 860 NH2 ARG A 60 -5.163 8.609 1.994 1.00 0.00 N ATOM 0 H ARG A 60 2.135 9.999 0.677 1.00 0.00 H new ATOM 0 HA ARG A 60 1.628 10.169 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.367 10.295 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.140 8.997 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.726 7.412 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.112 8.071 3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.076 8.471 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.779 9.972 3.783 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.728 8.047 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.871 9.892 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.550 9.917 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.900 8.078 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.134 8.887 2.135 1.00 0.00 H new ATOM 874 N SER A 61 2.668 8.031 4.203 1.00 0.00 N ATOM 875 CA SER A 61 3.292 6.789 4.627 1.00 0.00 C ATOM 876 C SER A 61 2.267 5.654 4.604 1.00 0.00 C ATOM 877 O SER A 61 1.098 5.862 4.924 1.00 0.00 O ATOM 878 CB SER A 61 3.899 6.928 6.025 1.00 0.00 C ATOM 879 OG SER A 61 4.333 5.674 6.545 1.00 0.00 O ATOM 0 H SER A 61 2.584 8.738 4.934 1.00 0.00 H new ATOM 0 HA SER A 61 4.098 6.556 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.743 7.617 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.162 7.364 6.699 1.00 0.00 H new ATOM 0 HG SER A 61 4.716 5.805 7.438 1.00 0.00 H new ATOM 885 N CYS A 62 2.743 4.478 4.223 1.00 0.00 N ATOM 886 CA CYS A 62 1.882 3.309 4.154 1.00 0.00 C ATOM 887 C CYS A 62 2.592 2.148 4.853 1.00 0.00 C ATOM 888 O CYS A 62 3.628 1.677 4.386 1.00 0.00 O ATOM 889 CB CYS A 62 1.510 2.964 2.711 1.00 0.00 C ATOM 890 SG CYS A 62 0.647 4.378 1.932 1.00 0.00 S ATOM 0 H CYS A 62 3.714 4.309 3.959 1.00 0.00 H new ATOM 0 HA CYS A 62 0.941 3.518 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.408 2.718 2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.870 2.082 2.693 1.00 0.00 H new ATOM 0 HG CYS A 62 1.369 5.452 2.062 1.00 0.00 H new ATOM 896 N MET A 63 2.007 1.719 5.962 1.00 0.00 N ATOM 897 CA MET A 63 2.570 0.622 6.730 1.00 0.00 C ATOM 898 C MET A 63 2.250 -0.725 6.078 1.00 0.00 C ATOM 899 O MET A 63 1.088 -1.120 6.000 1.00 0.00 O ATOM 900 CB MET A 63 2.003 0.649 8.151 1.00 0.00 C ATOM 901 CG MET A 63 2.650 1.762 8.978 1.00 0.00 C ATOM 902 SD MET A 63 3.521 1.061 10.369 1.00 0.00 S ATOM 903 CE MET A 63 5.150 0.885 9.659 1.00 0.00 C ATOM 0 H MET A 63 1.148 2.112 6.347 1.00 0.00 H new ATOM 0 HA MET A 63 3.653 0.742 6.759 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.924 0.799 8.113 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.174 -0.314 8.633 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.340 2.334 8.357 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.887 2.456 9.329 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.803 0.376 10.368 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.086 0.301 8.741 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.557 1.871 9.434 1.00 0.00 H new ATOM 913 N LEU A 64 3.302 -1.392 5.626 1.00 0.00 N ATOM 914 CA LEU A 64 3.148 -2.686 4.983 1.00 0.00 C ATOM 915 C LEU A 64 3.469 -3.792 5.991 1.00 0.00 C ATOM 916 O LEU A 64 4.334 -3.624 6.849 1.00 0.00 O ATOM 917 CB LEU A 64 3.989 -2.754 3.707 1.00 0.00 C ATOM 918 CG LEU A 64 3.813 -1.593 2.726 1.00 0.00 C ATOM 919 CD1 LEU A 64 5.145 -0.885 2.470 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.158 -2.068 1.427 1.00 0.00 C ATOM 0 H LEU A 64 4.264 -1.061 5.692 1.00 0.00 H new ATOM 0 HA LEU A 64 2.116 -2.833 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.040 -2.808 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.751 -3.682 3.187 1.00 0.00 H new ATOM 0 HG LEU A 64 3.142 -0.863 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.992 -0.064 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.535 -0.493 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.858 -1.593 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.044 -1.224 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.785 -2.828 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.178 -2.491 1.647 1.00 0.00 H new ATOM 932 N THR A 65 2.754 -4.899 5.853 1.00 0.00 N ATOM 933 CA THR A 65 2.952 -6.033 6.740 1.00 0.00 C ATOM 934 C THR A 65 2.768 -7.346 5.976 1.00 0.00 C ATOM 935 O THR A 65 1.768 -7.531 5.284 1.00 0.00 O ATOM 936 CB THR A 65 1.995 -5.879 7.924 1.00 0.00 C ATOM 937 OG1 THR A 65 2.247 -4.562 8.406 1.00 0.00 O ATOM 938 CG2 THR A 65 2.368 -6.784 9.099 1.00 0.00 C ATOM 0 H THR A 65 2.037 -5.035 5.140 1.00 0.00 H new ATOM 0 HA THR A 65 3.970 -6.059 7.128 1.00 0.00 H new ATOM 0 HB THR A 65 0.979 -6.104 7.601 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.667 -4.378 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.658 -6.636 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.341 -7.826 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.372 -6.537 9.444 1.00 0.00 H new ATOM 946 N GLY A 66 3.748 -8.224 6.128 1.00 0.00 N ATOM 947 CA GLY A 66 3.707 -9.514 5.462 1.00 0.00 C ATOM 948 C GLY A 66 5.096 -9.919 4.964 1.00 0.00 C ATOM 949 O GLY A 66 6.098 -9.319 5.353 1.00 0.00 O ATOM 0 H GLY A 66 4.576 -8.067 6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.329 -10.270 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.014 -9.472 4.622 1.00 0.00 H new ATOM 953 N THR A 67 5.112 -10.933 4.112 1.00 0.00 N ATOM 954 CA THR A 67 6.362 -11.424 3.556 1.00 0.00 C ATOM 955 C THR A 67 7.094 -10.303 2.816 1.00 0.00 C ATOM 956 O THR A 67 6.491 -9.291 2.463 1.00 0.00 O ATOM 957 CB THR A 67 6.044 -12.631 2.671 1.00 0.00 C ATOM 958 OG1 THR A 67 4.950 -12.195 1.869 1.00 0.00 O ATOM 959 CG2 THR A 67 5.476 -13.808 3.468 1.00 0.00 C ATOM 0 H THR A 67 4.279 -11.428 3.793 1.00 0.00 H new ATOM 0 HA THR A 67 7.043 -11.750 4.342 1.00 0.00 H new ATOM 0 HB THR A 67 6.948 -12.947 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.680 -12.917 1.263 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.268 -14.638 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.201 -14.124 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.554 -13.502 3.962 1.00 0.00 H new ATOM 967 N PRO A 68 8.417 -10.528 2.596 1.00 0.00 N ATOM 968 CA PRO A 68 9.238 -9.549 1.903 1.00 0.00 C ATOM 969 C PRO A 68 8.951 -9.558 0.400 1.00 0.00 C ATOM 970 O PRO A 68 9.022 -8.520 -0.255 1.00 0.00 O ATOM 971 CB PRO A 68 10.671 -9.931 2.237 1.00 0.00 C ATOM 972 CG PRO A 68 10.618 -11.372 2.716 1.00 0.00 C ATOM 973 CD PRO A 68 9.164 -11.716 2.999 1.00 0.00 C ATOM 0 HA PRO A 68 9.029 -8.526 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.315 -9.834 1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.080 -9.278 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.028 -12.041 1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.222 -11.498 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.848 -12.593 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.009 -11.943 4.054 1.00 0.00 H new ATOM 981 N GLU A 69 8.633 -10.742 -0.102 1.00 0.00 N ATOM 982 CA GLU A 69 8.335 -10.900 -1.515 1.00 0.00 C ATOM 983 C GLU A 69 6.980 -10.270 -1.846 1.00 0.00 C ATOM 984 O GLU A 69 6.729 -9.893 -2.989 1.00 0.00 O ATOM 985 CB GLU A 69 8.367 -12.375 -1.921 1.00 0.00 C ATOM 986 CG GLU A 69 9.694 -12.728 -2.597 1.00 0.00 C ATOM 987 CD GLU A 69 9.545 -13.968 -3.481 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.712 -15.079 -2.933 1.00 0.00 O ATOM 989 OE2 GLU A 69 9.268 -13.776 -4.685 1.00 0.00 O ATOM 0 H GLU A 69 8.575 -11.601 0.445 1.00 0.00 H new ATOM 0 HA GLU A 69 9.104 -10.382 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.225 -13.002 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.541 -12.587 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.035 -11.886 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.456 -12.907 -1.839 1.00 0.00 H new ATOM 996 N SER A 70 6.142 -10.175 -0.824 1.00 0.00 N ATOM 997 CA SER A 70 4.820 -9.597 -0.991 1.00 0.00 C ATOM 998 C SER A 70 4.893 -8.075 -0.856 1.00 0.00 C ATOM 999 O SER A 70 4.179 -7.352 -1.549 1.00 0.00 O ATOM 1000 CB SER A 70 3.834 -10.174 0.026 1.00 0.00 C ATOM 1001 OG SER A 70 3.321 -11.439 -0.385 1.00 0.00 O ATOM 0 H SER A 70 6.353 -10.489 0.123 1.00 0.00 H new ATOM 0 HA SER A 70 4.460 -9.849 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.329 -10.280 0.991 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.008 -9.476 0.166 1.00 0.00 H new ATOM 0 HG SER A 70 2.491 -11.307 -0.889 1.00 0.00 H new ATOM 1007 N VAL A 71 5.761 -7.634 0.042 1.00 0.00 N ATOM 1008 CA VAL A 71 5.937 -6.211 0.278 1.00 0.00 C ATOM 1009 C VAL A 71 6.411 -5.540 -1.013 1.00 0.00 C ATOM 1010 O VAL A 71 5.898 -4.489 -1.395 1.00 0.00 O ATOM 1011 CB VAL A 71 6.891 -5.989 1.453 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.373 -4.537 1.501 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.236 -6.393 2.775 1.00 0.00 C ATOM 0 H VAL A 71 6.351 -8.237 0.615 1.00 0.00 H new ATOM 0 HA VAL A 71 4.989 -5.749 0.556 1.00 0.00 H new ATOM 0 HB VAL A 71 7.762 -6.627 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.050 -4.406 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.897 -4.297 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.516 -3.873 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.936 -6.225 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.340 -5.794 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.965 -7.448 2.739 1.00 0.00 H new ATOM 1023 N GLN A 72 7.384 -6.174 -1.649 1.00 0.00 N ATOM 1024 CA GLN A 72 7.933 -5.651 -2.889 1.00 0.00 C ATOM 1025 C GLN A 72 6.878 -5.693 -3.996 1.00 0.00 C ATOM 1026 O GLN A 72 6.626 -4.686 -4.656 1.00 0.00 O ATOM 1027 CB GLN A 72 9.190 -6.421 -3.300 1.00 0.00 C ATOM 1028 CG GLN A 72 10.455 -5.634 -2.950 1.00 0.00 C ATOM 1029 CD GLN A 72 10.507 -5.318 -1.454 1.00 0.00 C ATOM 1030 OE1 GLN A 72 9.849 -5.941 -0.638 1.00 0.00 O ATOM 1031 NE2 GLN A 72 11.325 -4.317 -1.141 1.00 0.00 N ATOM 0 H GLN A 72 7.807 -7.045 -1.329 1.00 0.00 H new ATOM 0 HA GLN A 72 8.220 -4.612 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.209 -7.388 -2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.165 -6.619 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.336 -6.209 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.481 -4.707 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.847 -3.837 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.430 -4.029 -0.168 1.00 0.00 H new ATOM 1040 N SER A 73 6.290 -6.868 -4.165 1.00 0.00 N ATOM 1041 CA SER A 73 5.268 -7.054 -5.181 1.00 0.00 C ATOM 1042 C SER A 73 4.228 -5.936 -5.088 1.00 0.00 C ATOM 1043 O SER A 73 3.866 -5.335 -6.098 1.00 0.00 O ATOM 1044 CB SER A 73 4.593 -8.420 -5.039 1.00 0.00 C ATOM 1045 OG SER A 73 4.953 -9.306 -6.095 1.00 0.00 O ATOM 0 H SER A 73 6.502 -7.701 -3.615 1.00 0.00 H new ATOM 0 HA SER A 73 5.747 -7.015 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.871 -8.864 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.511 -8.290 -5.028 1.00 0.00 H new ATOM 0 HG SER A 73 4.503 -10.167 -5.967 1.00 0.00 H new ATOM 1051 N ALA A 74 3.777 -5.690 -3.866 1.00 0.00 N ATOM 1052 CA ALA A 74 2.786 -4.655 -3.629 1.00 0.00 C ATOM 1053 C ALA A 74 3.368 -3.297 -4.029 1.00 0.00 C ATOM 1054 O ALA A 74 2.726 -2.531 -4.746 1.00 0.00 O ATOM 1055 CB ALA A 74 2.350 -4.692 -2.163 1.00 0.00 C ATOM 0 H ALA A 74 4.080 -6.190 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 74 1.899 -4.827 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.606 -3.915 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.918 -5.667 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.215 -4.520 -1.522 1.00 0.00 H new ATOM 1061 N LYS A 75 4.575 -3.041 -3.549 1.00 0.00 N ATOM 1062 CA LYS A 75 5.250 -1.790 -3.848 1.00 0.00 C ATOM 1063 C LYS A 75 5.184 -1.527 -5.353 1.00 0.00 C ATOM 1064 O LYS A 75 4.793 -0.442 -5.781 1.00 0.00 O ATOM 1065 CB LYS A 75 6.674 -1.801 -3.287 1.00 0.00 C ATOM 1066 CG LYS A 75 6.689 -1.368 -1.819 1.00 0.00 C ATOM 1067 CD LYS A 75 7.902 -1.947 -1.089 1.00 0.00 C ATOM 1068 CE LYS A 75 9.201 -1.587 -1.813 1.00 0.00 C ATOM 1069 NZ LYS A 75 10.018 -0.670 -0.988 1.00 0.00 N ATOM 0 H LYS A 75 5.104 -3.679 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 75 4.745 -0.958 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.097 -2.801 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.305 -1.133 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.708 -0.280 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.773 -1.699 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.933 -1.566 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.807 -3.031 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.767 -2.493 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.973 -1.118 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.896 -0.436 -1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.482 0.202 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.252 -1.130 -0.085 1.00 0.00 H new ATOM 1083 N ARG A 76 5.573 -2.538 -6.116 1.00 0.00 N ATOM 1084 CA ARG A 76 5.563 -2.430 -7.565 1.00 0.00 C ATOM 1085 C ARG A 76 4.201 -1.931 -8.050 1.00 0.00 C ATOM 1086 O ARG A 76 4.127 -1.105 -8.959 1.00 0.00 O ATOM 1087 CB ARG A 76 5.867 -3.779 -8.220 1.00 0.00 C ATOM 1088 CG ARG A 76 7.298 -4.227 -7.916 1.00 0.00 C ATOM 1089 CD ARG A 76 8.178 -4.136 -9.164 1.00 0.00 C ATOM 1090 NE ARG A 76 9.442 -4.875 -8.947 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.418 -4.978 -9.860 1.00 0.00 C ATOM 1092 NH1 ARG A 76 10.281 -4.390 -11.056 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.530 -5.669 -9.576 1.00 0.00 N ATOM 0 H ARG A 76 5.897 -3.436 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 76 6.338 -1.718 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.163 -4.529 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.727 -3.703 -9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.717 -3.605 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.291 -5.252 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.649 -4.548 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.392 -3.092 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 76 9.579 -5.334 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.434 -3.864 -11.272 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.024 -4.468 -11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.634 -6.117 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.273 -5.748 -10.270 1.00 0.00 H new ATOM 1107 N LEU A 77 3.157 -2.452 -7.423 1.00 0.00 N ATOM 1108 CA LEU A 77 1.802 -2.069 -7.780 1.00 0.00 C ATOM 1109 C LEU A 77 1.587 -0.593 -7.441 1.00 0.00 C ATOM 1110 O LEU A 77 1.105 0.175 -8.272 1.00 0.00 O ATOM 1111 CB LEU A 77 0.789 -3.005 -7.119 1.00 0.00 C ATOM 1112 CG LEU A 77 0.581 -4.359 -7.801 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.252 -5.445 -6.775 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.483 -4.264 -8.896 1.00 0.00 C ATOM 0 H LEU A 77 3.222 -3.136 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 77 1.647 -2.176 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.106 -3.183 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.172 -2.493 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 77 1.515 -4.645 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.109 -6.397 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.073 -5.535 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.661 -5.178 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.611 -5.240 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.429 -3.945 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.168 -3.539 -9.647 1.00 0.00 H new ATOM 1126 N LEU A 78 1.957 -0.240 -6.219 1.00 0.00 N ATOM 1127 CA LEU A 78 1.811 1.131 -5.759 1.00 0.00 C ATOM 1128 C LEU A 78 2.543 2.068 -6.723 1.00 0.00 C ATOM 1129 O LEU A 78 1.915 2.878 -7.403 1.00 0.00 O ATOM 1130 CB LEU A 78 2.272 1.261 -4.306 1.00 0.00 C ATOM 1131 CG LEU A 78 1.417 0.536 -3.264 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.895 0.854 -1.846 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.067 0.857 -3.454 1.00 0.00 C ATOM 0 H LEU A 78 2.358 -0.880 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 78 0.761 1.425 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.293 0.886 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.303 2.320 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 78 1.536 -0.538 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.271 0.326 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.931 0.535 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.824 1.927 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.653 0.329 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.223 1.931 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.384 0.540 -4.448 1.00 0.00 H new ATOM 1145 N ASP A 79 3.860 1.926 -6.749 1.00 0.00 N ATOM 1146 CA ASP A 79 4.684 2.749 -7.618 1.00 0.00 C ATOM 1147 C ASP A 79 4.038 2.828 -9.002 1.00 0.00 C ATOM 1148 O ASP A 79 4.007 3.893 -9.617 1.00 0.00 O ATOM 1149 CB ASP A 79 6.082 2.149 -7.782 1.00 0.00 C ATOM 1150 CG ASP A 79 7.236 3.125 -7.546 1.00 0.00 C ATOM 1151 OD1 ASP A 79 7.122 4.268 -8.040 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.206 2.706 -6.879 1.00 0.00 O ATOM 0 H ASP A 79 4.377 1.253 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 79 4.767 3.738 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.186 1.313 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.170 1.742 -8.789 1.00 0.00 H new ATOM 1157 N GLN A 80 3.537 1.686 -9.452 1.00 0.00 N ATOM 1158 CA GLN A 80 2.894 1.613 -10.753 1.00 0.00 C ATOM 1159 C GLN A 80 1.812 2.688 -10.871 1.00 0.00 C ATOM 1160 O GLN A 80 1.866 3.533 -11.764 1.00 0.00 O ATOM 1161 CB GLN A 80 2.311 0.219 -10.998 1.00 0.00 C ATOM 1162 CG GLN A 80 3.063 -0.499 -12.121 1.00 0.00 C ATOM 1163 CD GLN A 80 2.293 -0.411 -13.440 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.371 0.563 -14.170 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.547 -1.480 -13.704 1.00 0.00 N ATOM 0 H GLN A 80 3.564 0.805 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 80 3.646 1.797 -11.520 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.369 -0.370 -10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.256 0.302 -11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.052 -0.056 -12.243 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.213 -1.545 -11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.527 -2.262 -13.049 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.995 -1.518 -14.561 1.00 0.00 H new ATOM 1174 N ILE A 81 0.854 2.621 -9.958 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.239 3.578 -9.949 1.00 0.00 C ATOM 1176 C ILE A 81 0.323 4.990 -10.130 1.00 0.00 C ATOM 1177 O ILE A 81 -0.132 5.737 -10.995 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.087 3.412 -8.686 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.930 2.136 -8.756 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -1.946 4.653 -8.434 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.549 1.813 -7.395 1.00 0.00 C ATOM 0 H ILE A 81 0.812 1.919 -9.219 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.913 3.393 -10.785 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.414 3.308 -7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.719 2.257 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.309 1.303 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.538 4.508 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.301 5.523 -8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.611 4.813 -9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.143 0.902 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.757 1.669 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.189 2.638 -7.081 1.00 0.00 H new ATOM 1193 N VAL A 82 1.304 5.312 -9.300 1.00 0.00 N ATOM 1194 CA VAL A 82 1.933 6.621 -9.357 1.00 0.00 C ATOM 1195 C VAL A 82 2.513 6.842 -10.756 1.00 0.00 C ATOM 1196 O VAL A 82 2.210 7.840 -11.407 1.00 0.00 O ATOM 1197 CB VAL A 82 2.980 6.747 -8.249 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.643 8.126 -8.276 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.364 6.462 -6.878 1.00 0.00 C ATOM 0 H VAL A 82 1.679 4.689 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 82 1.198 7.406 -9.182 1.00 0.00 H new ATOM 0 HB VAL A 82 3.752 6.000 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.383 8.190 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.133 8.275 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.886 8.897 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.130 6.558 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.562 7.175 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.960 5.450 -6.864 1.00 0.00 H new