USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 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 33 CYS SG : rot 152:sc= 1.58 USER MOD Set 1.2: A 36 CYS SG : rot -51:sc= -0.167 USER MOD Set 1.3: A 64 CYS SG : rot 180:sc= 0.35 USER MOD Set 1.4: A 67 CYS SG : rot 93:sc= -2.47 USER MOD Set 2.1: A 19 CYS SG : rot 30:sc= 0.264 USER MOD Set 2.2: A 21 CYS SG : rot -77:sc= -2.02 USER MOD Set 2.3: A 30 MET CE :methyl -116:sc= -0.403 (180deg=-0.178) USER MOD Set 2.4: A 41 HIS : no HD1:sc= -0.61 X(o=-3,f=-3) USER MOD Set 2.5: A 44 CYS SG : rot 170:sc= -0.196 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.916 K(o=-0.92,f=-5.7!) USER MOD Single : A 25 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.56) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.567 K(o=0.57,f=-3.1!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 95:sc= 1.14 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 184 N ALA A 16 -5.243 21.592 8.257 1.00 0.00 N ATOM 185 CA ALA A 16 -4.807 20.697 7.193 1.00 0.00 C ATOM 186 C ALA A 16 -5.720 19.480 7.089 1.00 0.00 C ATOM 187 O ALA A 16 -5.596 18.530 7.864 1.00 0.00 O ATOM 188 CB ALA A 16 -3.368 20.261 7.428 1.00 0.00 C ATOM 0 HA ALA A 16 -4.862 21.240 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.055 19.593 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.720 21.137 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.297 19.740 8.383 1.00 0.00 H new ATOM 194 N LEU A 17 -6.637 19.515 6.129 1.00 0.00 N ATOM 195 CA LEU A 17 -7.573 18.414 5.925 1.00 0.00 C ATOM 196 C LEU A 17 -7.673 18.052 4.447 1.00 0.00 C ATOM 197 O LEU A 17 -7.876 18.919 3.597 1.00 0.00 O ATOM 198 CB LEU A 17 -8.955 18.787 6.465 1.00 0.00 C ATOM 199 CG LEU A 17 -8.992 19.336 7.891 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.389 19.830 8.236 1.00 0.00 C ATOM 201 CD2 LEU A 17 -8.540 18.275 8.883 1.00 0.00 C ATOM 0 H LEU A 17 -6.753 20.293 5.480 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.199 17.546 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.395 19.530 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.591 17.903 6.421 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.304 20.179 7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.397 20.217 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.676 20.622 7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.097 19.005 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.573 18.684 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.202 17.412 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.521 17.968 8.649 1.00 0.00 H new ATOM 213 N TYR A 18 -7.531 16.765 4.147 1.00 0.00 N ATOM 214 CA TYR A 18 -7.605 16.288 2.772 1.00 0.00 C ATOM 215 C TYR A 18 -8.673 15.209 2.626 1.00 0.00 C ATOM 216 O TYR A 18 -9.635 15.367 1.873 1.00 0.00 O ATOM 217 CB TYR A 18 -6.248 15.741 2.326 1.00 0.00 C ATOM 218 CG TYR A 18 -5.258 16.817 1.939 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.477 17.623 0.829 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.105 17.029 2.685 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.575 18.606 0.471 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.199 18.011 2.336 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.438 18.797 1.228 1.00 0.00 C ATOM 224 OH TYR A 18 -2.538 19.777 0.876 1.00 0.00 O ATOM 0 H TYR A 18 -7.364 16.034 4.838 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.877 17.131 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.824 15.142 3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.396 15.073 1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.368 17.479 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.914 16.415 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.759 19.222 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.308 18.163 2.927 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.793 19.781 1.513 1.00 0.00 H new ATOM 234 N CYS A 19 -8.498 14.110 3.353 1.00 0.00 N ATOM 235 CA CYS A 19 -9.446 13.003 3.308 1.00 0.00 C ATOM 236 C CYS A 19 -10.809 13.432 3.842 1.00 0.00 C ATOM 237 O CYS A 19 -10.924 14.439 4.542 1.00 0.00 O ATOM 238 CB CYS A 19 -8.917 11.818 4.119 1.00 0.00 C ATOM 239 SG CYS A 19 -9.901 10.296 3.938 1.00 0.00 S ATOM 0 H CYS A 19 -7.708 13.963 3.981 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.563 12.699 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.891 11.613 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.888 12.096 5.172 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.446 10.269 2.758 1.00 0.00 H new ATOM 244 N ILE A 20 -11.838 12.661 3.508 1.00 0.00 N ATOM 245 CA ILE A 20 -13.193 12.960 3.955 1.00 0.00 C ATOM 246 C ILE A 20 -13.299 12.887 5.474 1.00 0.00 C ATOM 247 O ILE A 20 -14.183 13.497 6.076 1.00 0.00 O ATOM 248 CB ILE A 20 -14.217 11.992 3.333 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.842 10.544 3.652 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.302 12.205 1.829 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.961 9.559 3.395 1.00 0.00 C ATOM 0 H ILE A 20 -11.759 11.825 2.929 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.418 13.975 3.626 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.197 12.197 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.976 10.261 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.543 10.477 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.030 11.514 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.612 13.230 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.325 12.025 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.624 8.553 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.821 9.816 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -15.245 9.598 2.343 1.00 0.00 H new ATOM 263 N CYS A 21 -12.391 12.138 6.090 1.00 0.00 N ATOM 264 CA CYS A 21 -12.380 11.986 7.540 1.00 0.00 C ATOM 265 C CYS A 21 -11.699 13.177 8.207 1.00 0.00 C ATOM 266 O CYS A 21 -11.388 13.141 9.398 1.00 0.00 O ATOM 267 CB CYS A 21 -11.666 10.691 7.932 1.00 0.00 C ATOM 268 SG CYS A 21 -9.889 10.670 7.530 1.00 0.00 S ATOM 0 H CYS A 21 -11.652 11.626 5.607 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.413 11.942 7.884 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.787 10.532 9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.151 9.855 7.429 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.734 10.452 6.258 1.00 0.00 H new ATOM 273 N ARG A 22 -11.470 14.232 7.431 1.00 0.00 N ATOM 274 CA ARG A 22 -10.825 15.433 7.946 1.00 0.00 C ATOM 275 C ARG A 22 -9.557 15.082 8.718 1.00 0.00 C ATOM 276 O ARG A 22 -9.400 15.462 9.878 1.00 0.00 O ATOM 277 CB ARG A 22 -11.787 16.207 8.849 1.00 0.00 C ATOM 278 CG ARG A 22 -12.843 16.990 8.086 1.00 0.00 C ATOM 279 CD ARG A 22 -13.874 16.067 7.456 1.00 0.00 C ATOM 280 NE ARG A 22 -15.165 16.726 7.281 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.461 17.498 6.241 1.00 0.00 C ATOM 282 NH1 ARG A 22 -14.563 17.706 5.288 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.658 18.064 6.153 1.00 0.00 N ATOM 0 H ARG A 22 -11.722 14.279 6.444 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.551 16.059 7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.282 15.507 9.522 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.214 16.896 9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.341 17.686 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.365 17.587 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.509 15.723 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.000 15.184 8.082 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.879 16.586 7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.642 17.273 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.793 18.299 4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.352 17.907 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.884 18.657 5.354 1.00 0.00 H new ATOM 297 N GLN A 23 -8.656 14.354 8.066 1.00 0.00 N ATOM 298 CA GLN A 23 -7.403 13.950 8.692 1.00 0.00 C ATOM 299 C GLN A 23 -6.211 14.337 7.823 1.00 0.00 C ATOM 300 O GLN A 23 -6.302 14.408 6.597 1.00 0.00 O ATOM 301 CB GLN A 23 -7.397 12.441 8.944 1.00 0.00 C ATOM 302 CG GLN A 23 -8.353 12.004 10.042 1.00 0.00 C ATOM 303 CD GLN A 23 -7.747 12.123 11.426 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.978 13.045 11.703 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.089 11.189 12.305 1.00 0.00 N ATOM 0 H GLN A 23 -8.771 14.032 7.105 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.318 14.471 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.658 11.926 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.387 12.129 9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.258 12.610 9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.652 10.970 9.868 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.729 10.443 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.712 11.217 13.252 1.00 0.00 H new ATOM 314 N PRO A 24 -5.064 14.594 8.471 1.00 0.00 N ATOM 315 CA PRO A 24 -3.832 14.978 7.776 1.00 0.00 C ATOM 316 C PRO A 24 -3.235 13.827 6.974 1.00 0.00 C ATOM 317 O PRO A 24 -3.785 12.725 6.948 1.00 0.00 O ATOM 318 CB PRO A 24 -2.893 15.379 8.916 1.00 0.00 C ATOM 319 CG PRO A 24 -3.392 14.627 10.101 1.00 0.00 C ATOM 320 CD PRO A 24 -4.883 14.529 9.931 1.00 0.00 C ATOM 0 HA PRO A 24 -4.005 15.771 7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.860 15.118 8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.919 16.455 9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.939 13.637 10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.138 15.144 11.027 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.274 13.599 10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.400 15.345 10.437 1.00 0.00 H new ATOM 328 N HIS A 25 -2.107 14.088 6.322 1.00 0.00 N ATOM 329 CA HIS A 25 -1.435 13.072 5.520 1.00 0.00 C ATOM 330 C HIS A 25 -0.500 12.229 6.382 1.00 0.00 C ATOM 331 O HIS A 25 0.561 12.692 6.799 1.00 0.00 O ATOM 332 CB HIS A 25 -0.648 13.727 4.384 1.00 0.00 C ATOM 333 CG HIS A 25 0.497 12.896 3.892 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.804 13.112 4.276 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.526 11.842 3.043 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.587 12.229 3.683 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.836 11.446 2.930 1.00 0.00 N ATOM 0 H HIS A 25 -1.639 14.994 6.333 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.197 12.418 5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.324 13.927 3.553 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.267 14.690 4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.323 11.396 2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.659 12.159 3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.174 10.673 2.357 1.00 0.00 H new ATOM 346 N ASN A 26 -0.903 10.991 6.647 1.00 0.00 N ATOM 347 CA ASN A 26 -0.101 10.084 7.462 1.00 0.00 C ATOM 348 C ASN A 26 0.590 9.039 6.592 1.00 0.00 C ATOM 349 O ASN A 26 0.252 8.869 5.421 1.00 0.00 O ATOM 350 CB ASN A 26 -0.979 9.394 8.507 1.00 0.00 C ATOM 351 CG ASN A 26 -1.732 10.384 9.375 1.00 0.00 C ATOM 352 OD1 ASN A 26 -1.131 11.139 10.139 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.055 10.385 9.260 1.00 0.00 N ATOM 0 H ASN A 26 -1.779 10.592 6.310 1.00 0.00 H new ATOM 0 HA ASN A 26 0.664 10.671 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.692 8.740 8.004 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.357 8.761 9.139 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.615 11.029 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.511 9.741 8.614 1.00 0.00 H new ATOM 360 N ASN A 27 1.559 8.340 7.174 1.00 0.00 N ATOM 361 CA ASN A 27 2.299 7.310 6.452 1.00 0.00 C ATOM 362 C ASN A 27 1.368 6.503 5.551 1.00 0.00 C ATOM 363 O ASN A 27 1.700 6.210 4.403 1.00 0.00 O ATOM 364 CB ASN A 27 3.009 6.379 7.436 1.00 0.00 C ATOM 365 CG ASN A 27 3.761 7.139 8.512 1.00 0.00 C ATOM 366 OD1 ASN A 27 3.157 7.794 9.361 1.00 0.00 O ATOM 367 ND2 ASN A 27 5.086 7.055 8.479 1.00 0.00 N ATOM 0 H ASN A 27 1.850 8.468 8.143 1.00 0.00 H new ATOM 0 HA ASN A 27 3.044 7.803 5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.276 5.722 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.706 5.742 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.646 7.546 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.544 6.500 7.756 1.00 0.00 H new ATOM 374 N ARG A 28 0.202 6.148 6.081 1.00 0.00 N ATOM 375 CA ARG A 28 -0.776 5.374 5.326 1.00 0.00 C ATOM 376 C ARG A 28 -0.750 5.759 3.849 1.00 0.00 C ATOM 377 O ARG A 28 -0.444 6.899 3.499 1.00 0.00 O ATOM 378 CB ARG A 28 -2.179 5.590 5.896 1.00 0.00 C ATOM 379 CG ARG A 28 -2.387 4.953 7.260 1.00 0.00 C ATOM 380 CD ARG A 28 -3.685 5.419 7.901 1.00 0.00 C ATOM 381 NE ARG A 28 -4.254 4.405 8.784 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.443 4.521 9.365 1.00 0.00 C ATOM 383 NH1 ARG A 28 -6.184 5.601 9.157 1.00 0.00 N ATOM 384 NH2 ARG A 28 -5.894 3.555 10.155 1.00 0.00 N ATOM 0 H ARG A 28 -0.088 6.384 7.030 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.514 4.320 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.371 6.660 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.912 5.183 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.400 3.868 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.549 5.202 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.502 6.332 8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.406 5.667 7.122 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.709 3.562 8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.841 6.345 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.097 5.687 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.328 2.722 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.807 3.645 10.601 1.00 0.00 H new ATOM 398 N PHE A 29 -1.073 4.800 2.988 1.00 0.00 N ATOM 399 CA PHE A 29 -1.086 5.037 1.549 1.00 0.00 C ATOM 400 C PHE A 29 -2.228 5.973 1.162 1.00 0.00 C ATOM 401 O PHE A 29 -3.280 5.982 1.800 1.00 0.00 O ATOM 402 CB PHE A 29 -1.218 3.713 0.793 1.00 0.00 C ATOM 403 CG PHE A 29 -1.450 3.885 -0.681 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.427 4.313 -1.512 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.692 3.619 -1.235 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.638 4.471 -2.868 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.908 3.776 -2.591 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.880 4.203 -3.409 1.00 0.00 C ATOM 0 H PHE A 29 -1.329 3.851 3.261 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.143 5.510 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.312 3.126 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.043 3.142 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.546 4.525 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.500 3.285 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.168 4.804 -3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.880 3.565 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.047 4.327 -4.469 1.00 0.00 H new ATOM 418 N MET A 30 -2.011 6.759 0.113 1.00 0.00 N ATOM 419 CA MET A 30 -3.022 7.698 -0.360 1.00 0.00 C ATOM 420 C MET A 30 -2.946 7.861 -1.875 1.00 0.00 C ATOM 421 O MET A 30 -1.914 7.584 -2.487 1.00 0.00 O ATOM 422 CB MET A 30 -2.845 9.056 0.321 1.00 0.00 C ATOM 423 CG MET A 30 -3.130 9.030 1.813 1.00 0.00 C ATOM 424 SD MET A 30 -2.798 10.612 2.612 1.00 0.00 S ATOM 425 CE MET A 30 -4.388 11.419 2.440 1.00 0.00 C ATOM 0 H MET A 30 -1.145 6.765 -0.426 1.00 0.00 H new ATOM 0 HA MET A 30 -4.003 7.297 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.824 9.403 0.161 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.507 9.780 -0.154 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.173 8.758 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.522 8.256 2.282 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.282 12.299 1.806 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.099 10.729 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.751 11.721 3.422 1.00 0.00 H new ATOM 435 N ILE A 31 -4.044 8.311 -2.472 1.00 0.00 N ATOM 436 CA ILE A 31 -4.101 8.511 -3.915 1.00 0.00 C ATOM 437 C ILE A 31 -4.892 9.767 -4.265 1.00 0.00 C ATOM 438 O ILE A 31 -5.675 10.266 -3.455 1.00 0.00 O ATOM 439 CB ILE A 31 -4.736 7.302 -4.627 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.226 7.211 -4.293 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.020 6.019 -4.233 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.501 6.802 -2.863 1.00 0.00 C ATOM 0 H ILE A 31 -4.906 8.544 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.073 8.625 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.632 7.437 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.692 8.178 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.697 6.494 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.480 5.174 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.970 6.087 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.096 5.876 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.578 6.758 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.065 5.821 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.059 7.532 -2.184 1.00 0.00 H new ATOM 454 N CYS A 32 -4.685 10.271 -5.476 1.00 0.00 N ATOM 455 CA CYS A 32 -5.380 11.469 -5.935 1.00 0.00 C ATOM 456 C CYS A 32 -6.508 11.108 -6.896 1.00 0.00 C ATOM 457 O CYS A 32 -6.299 11.002 -8.105 1.00 0.00 O ATOM 458 CB CYS A 32 -4.399 12.424 -6.617 1.00 0.00 C ATOM 459 SG CYS A 32 -5.158 13.945 -7.232 1.00 0.00 S ATOM 0 H CYS A 32 -4.042 9.869 -6.158 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.812 11.964 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.611 12.684 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.923 11.906 -7.449 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.249 14.689 -7.790 1.00 0.00 H new ATOM 465 N CYS A 33 -7.705 10.918 -6.351 1.00 0.00 N ATOM 466 CA CYS A 33 -8.867 10.567 -7.158 1.00 0.00 C ATOM 467 C CYS A 33 -8.884 11.361 -8.461 1.00 0.00 C ATOM 468 O CYS A 33 -8.712 12.580 -8.460 1.00 0.00 O ATOM 469 CB CYS A 33 -10.156 10.824 -6.375 1.00 0.00 C ATOM 470 SG CYS A 33 -11.675 10.366 -7.270 1.00 0.00 S ATOM 0 H CYS A 33 -7.895 11.001 -5.352 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.803 9.506 -7.400 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.117 10.267 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.205 11.881 -6.115 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.599 10.037 -6.417 1.00 0.00 H new ATOM 475 N ASP A 34 -9.093 10.661 -9.571 1.00 0.00 N ATOM 476 CA ASP A 34 -9.134 11.299 -10.881 1.00 0.00 C ATOM 477 C ASP A 34 -10.536 11.816 -11.191 1.00 0.00 C ATOM 478 O ASP A 34 -10.865 12.095 -12.344 1.00 0.00 O ATOM 479 CB ASP A 34 -8.688 10.317 -11.965 1.00 0.00 C ATOM 480 CG ASP A 34 -7.179 10.211 -12.066 1.00 0.00 C ATOM 481 OD1 ASP A 34 -6.523 10.059 -11.014 1.00 0.00 O ATOM 482 OD2 ASP A 34 -6.654 10.280 -13.196 1.00 0.00 O ATOM 0 H ASP A 34 -9.237 9.651 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.449 12.147 -10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.105 9.332 -11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.092 10.634 -12.926 1.00 0.00 H new ATOM 487 N ARG A 35 -11.358 11.939 -10.154 1.00 0.00 N ATOM 488 CA ARG A 35 -12.725 12.419 -10.315 1.00 0.00 C ATOM 489 C ARG A 35 -12.940 13.716 -9.541 1.00 0.00 C ATOM 490 O ARG A 35 -13.423 14.706 -10.091 1.00 0.00 O ATOM 491 CB ARG A 35 -13.720 11.358 -9.840 1.00 0.00 C ATOM 492 CG ARG A 35 -15.039 11.380 -10.595 1.00 0.00 C ATOM 493 CD ARG A 35 -16.001 12.400 -10.007 1.00 0.00 C ATOM 494 NE ARG A 35 -17.042 12.782 -10.957 1.00 0.00 N ATOM 495 CZ ARG A 35 -17.873 13.801 -10.767 1.00 0.00 C ATOM 496 NH1 ARG A 35 -17.784 14.536 -9.668 1.00 0.00 N ATOM 497 NH2 ARG A 35 -18.795 14.086 -11.678 1.00 0.00 N ATOM 0 H ARG A 35 -11.101 11.713 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.892 12.616 -11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.266 10.373 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.916 11.505 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.855 11.614 -11.644 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.494 10.390 -10.564 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.463 11.988 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.446 13.287 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.136 12.236 -11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -17.076 14.320 -8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.423 15.318 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.866 13.522 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.432 14.869 -11.531 1.00 0.00 H new ATOM 511 N CYS A 36 -12.579 13.703 -8.262 1.00 0.00 N ATOM 512 CA CYS A 36 -12.733 14.877 -7.412 1.00 0.00 C ATOM 513 C CYS A 36 -11.386 15.548 -7.161 1.00 0.00 C ATOM 514 O CYS A 36 -11.317 16.614 -6.550 1.00 0.00 O ATOM 515 CB CYS A 36 -13.377 14.487 -6.080 1.00 0.00 C ATOM 516 SG CYS A 36 -12.546 13.107 -5.229 1.00 0.00 S ATOM 0 H CYS A 36 -12.178 12.892 -7.792 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.381 15.585 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.381 15.356 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.418 14.217 -6.257 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.395 12.115 -6.056 1.00 0.00 H new ATOM 521 N GLU A 37 -10.318 14.915 -7.637 1.00 0.00 N ATOM 522 CA GLU A 37 -8.973 15.450 -7.464 1.00 0.00 C ATOM 523 C GLU A 37 -8.686 15.733 -5.992 1.00 0.00 C ATOM 524 O GLU A 37 -8.250 16.827 -5.634 1.00 0.00 O ATOM 525 CB GLU A 37 -8.800 16.731 -8.284 1.00 0.00 C ATOM 526 CG GLU A 37 -8.693 16.486 -9.779 1.00 0.00 C ATOM 527 CD GLU A 37 -8.983 17.730 -10.596 1.00 0.00 C ATOM 528 OE1 GLU A 37 -9.973 18.424 -10.287 1.00 0.00 O ATOM 529 OE2 GLU A 37 -8.220 18.008 -11.545 1.00 0.00 O ATOM 0 H GLU A 37 -10.359 14.032 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.264 14.702 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.645 17.392 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.905 17.252 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.691 16.127 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.389 15.698 -10.065 1.00 0.00 H new ATOM 536 N GLU A 38 -8.934 14.739 -5.145 1.00 0.00 N ATOM 537 CA GLU A 38 -8.703 14.882 -3.712 1.00 0.00 C ATOM 538 C GLU A 38 -7.758 13.797 -3.202 1.00 0.00 C ATOM 539 O GLU A 38 -7.437 12.851 -3.922 1.00 0.00 O ATOM 540 CB GLU A 38 -10.029 14.818 -2.951 1.00 0.00 C ATOM 541 CG GLU A 38 -10.737 16.158 -2.848 1.00 0.00 C ATOM 542 CD GLU A 38 -10.136 17.056 -1.785 1.00 0.00 C ATOM 543 OE1 GLU A 38 -9.033 17.594 -2.016 1.00 0.00 O ATOM 544 OE2 GLU A 38 -10.770 17.221 -0.721 1.00 0.00 O ATOM 0 H GLU A 38 -9.294 13.827 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.240 15.853 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.688 14.105 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.844 14.436 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.692 16.663 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.791 15.992 -2.624 1.00 0.00 H new ATOM 551 N TRP A 39 -7.317 13.942 -1.958 1.00 0.00 N ATOM 552 CA TRP A 39 -6.409 12.976 -1.352 1.00 0.00 C ATOM 553 C TRP A 39 -7.084 12.244 -0.197 1.00 0.00 C ATOM 554 O TRP A 39 -7.347 12.830 0.853 1.00 0.00 O ATOM 555 CB TRP A 39 -5.142 13.676 -0.857 1.00 0.00 C ATOM 556 CG TRP A 39 -4.268 14.176 -1.967 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.229 15.445 -2.471 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.308 13.417 -2.710 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.303 15.520 -3.484 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.724 14.290 -3.649 1.00 0.00 C ATOM 561 CE3 TRP A 39 -2.884 12.086 -2.673 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.740 13.872 -4.541 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -1.908 11.673 -3.559 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.344 12.563 -4.483 1.00 0.00 C ATOM 0 H TRP A 39 -7.574 14.719 -1.349 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.138 12.244 -2.113 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.424 14.515 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.571 12.984 -0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.836 16.268 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.083 16.356 -4.025 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.312 11.392 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.304 14.557 -5.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.574 10.646 -3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.582 12.209 -5.162 1.00 0.00 H new ATOM 575 N PHE A 40 -7.363 10.960 -0.398 1.00 0.00 N ATOM 576 CA PHE A 40 -8.008 10.148 0.627 1.00 0.00 C ATOM 577 C PHE A 40 -7.102 9.001 1.063 1.00 0.00 C ATOM 578 O PHE A 40 -6.073 8.737 0.441 1.00 0.00 O ATOM 579 CB PHE A 40 -9.336 9.594 0.107 1.00 0.00 C ATOM 580 CG PHE A 40 -10.182 10.621 -0.590 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.885 11.569 0.137 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.276 10.638 -1.972 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.664 12.515 -0.502 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.053 11.582 -2.617 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.749 12.521 -1.880 1.00 0.00 C ATOM 0 H PHE A 40 -7.152 10.460 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.200 10.784 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.134 8.774 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.899 9.177 0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.823 11.568 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.736 9.905 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.206 13.249 0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.116 11.586 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.359 13.258 -2.381 1.00 0.00 H new ATOM 595 N HIS A 41 -7.491 8.323 2.138 1.00 0.00 N ATOM 596 CA HIS A 41 -6.714 7.204 2.659 1.00 0.00 C ATOM 597 C HIS A 41 -7.232 5.879 2.106 1.00 0.00 C ATOM 598 O HIS A 41 -8.435 5.621 2.112 1.00 0.00 O ATOM 599 CB HIS A 41 -6.766 7.187 4.187 1.00 0.00 C ATOM 600 CG HIS A 41 -6.198 8.421 4.819 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.917 9.225 5.677 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.972 8.985 4.714 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.158 10.232 6.072 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.973 10.110 5.502 1.00 0.00 N ATOM 0 H HIS A 41 -8.340 8.529 2.665 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.680 7.332 2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.802 7.069 4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.219 6.317 4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.147 8.619 4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.456 11.021 6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.187 10.747 5.627 1.00 0.00 H new ATOM 612 N GLY A 42 -6.315 5.043 1.629 1.00 0.00 N ATOM 613 CA GLY A 42 -6.699 3.756 1.079 1.00 0.00 C ATOM 614 C GLY A 42 -7.791 3.083 1.886 1.00 0.00 C ATOM 615 O GLY A 42 -8.910 2.909 1.404 1.00 0.00 O ATOM 0 H GLY A 42 -5.313 5.234 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.040 3.890 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.825 3.105 1.042 1.00 0.00 H new ATOM 619 N ASP A 43 -7.465 2.702 3.116 1.00 0.00 N ATOM 620 CA ASP A 43 -8.427 2.043 3.992 1.00 0.00 C ATOM 621 C ASP A 43 -9.761 2.783 3.988 1.00 0.00 C ATOM 622 O ASP A 43 -10.821 2.174 3.838 1.00 0.00 O ATOM 623 CB ASP A 43 -7.879 1.962 5.417 1.00 0.00 C ATOM 624 CG ASP A 43 -6.793 0.914 5.561 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.667 1.156 5.078 1.00 0.00 O ATOM 626 OD2 ASP A 43 -7.069 -0.150 6.155 1.00 0.00 O ATOM 0 H ASP A 43 -6.542 2.838 3.529 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.591 1.033 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.482 2.935 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.694 1.733 6.104 1.00 0.00 H new ATOM 631 N CYS A 44 -9.702 4.100 4.156 1.00 0.00 N ATOM 632 CA CYS A 44 -10.905 4.923 4.174 1.00 0.00 C ATOM 633 C CYS A 44 -11.759 4.665 2.936 1.00 0.00 C ATOM 634 O CYS A 44 -12.911 4.244 3.041 1.00 0.00 O ATOM 635 CB CYS A 44 -10.532 6.405 4.250 1.00 0.00 C ATOM 636 SG CYS A 44 -10.241 7.013 5.943 1.00 0.00 S ATOM 0 H CYS A 44 -8.834 4.620 4.282 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.486 4.655 5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.634 6.574 3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.330 6.993 3.796 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.728 8.206 5.893 1.00 0.00 H new ATOM 641 N VAL A 45 -11.186 4.922 1.765 1.00 0.00 N ATOM 642 CA VAL A 45 -11.894 4.716 0.507 1.00 0.00 C ATOM 643 C VAL A 45 -11.739 3.281 0.017 1.00 0.00 C ATOM 644 O VAL A 45 -11.949 2.989 -1.159 1.00 0.00 O ATOM 645 CB VAL A 45 -11.387 5.677 -0.586 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.680 7.120 -0.205 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.899 5.471 -0.827 1.00 0.00 C ATOM 0 H VAL A 45 -10.234 5.273 1.661 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.947 4.919 0.700 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.915 5.457 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.315 7.784 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.755 7.254 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.180 7.357 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.557 6.157 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.351 5.663 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.721 4.445 -1.148 1.00 0.00 H new ATOM 657 N GLY A 46 -11.370 2.386 0.930 1.00 0.00 N ATOM 658 CA GLY A 46 -11.194 0.991 0.572 1.00 0.00 C ATOM 659 C GLY A 46 -9.873 0.734 -0.125 1.00 0.00 C ATOM 660 O GLY A 46 -9.148 -0.197 0.229 1.00 0.00 O ATOM 0 H GLY A 46 -11.190 2.603 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.252 0.378 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.011 0.680 -0.079 1.00 0.00 H new ATOM 664 N ILE A 47 -9.559 1.558 -1.119 1.00 0.00 N ATOM 665 CA ILE A 47 -8.317 1.414 -1.867 1.00 0.00 C ATOM 666 C ILE A 47 -7.188 0.920 -0.968 1.00 0.00 C ATOM 667 O ILE A 47 -7.057 1.354 0.176 1.00 0.00 O ATOM 668 CB ILE A 47 -7.895 2.745 -2.518 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.941 3.191 -3.541 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.530 2.603 -3.176 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.097 2.236 -4.703 1.00 0.00 C ATOM 0 H ILE A 47 -10.148 2.332 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.503 0.679 -2.650 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.825 3.507 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.903 3.301 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.667 4.174 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.245 3.551 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.791 2.325 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.575 1.831 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.855 2.617 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.147 2.144 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.402 1.258 -4.332 1.00 0.00 H new ATOM 683 N SER A 48 -6.374 0.011 -1.496 1.00 0.00 N ATOM 684 CA SER A 48 -5.257 -0.543 -0.741 1.00 0.00 C ATOM 685 C SER A 48 -3.924 -0.095 -1.334 1.00 0.00 C ATOM 686 O SER A 48 -3.850 0.285 -2.502 1.00 0.00 O ATOM 687 CB SER A 48 -5.333 -2.071 -0.726 1.00 0.00 C ATOM 688 OG SER A 48 -6.233 -2.527 0.269 1.00 0.00 O ATOM 0 H SER A 48 -6.467 -0.357 -2.443 1.00 0.00 H new ATOM 0 HA SER A 48 -5.323 -0.172 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.653 -2.432 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.342 -2.486 -0.542 1.00 0.00 H new ATOM 0 HG SER A 48 -6.265 -3.506 0.257 1.00 0.00 H new ATOM 694 N GLU A 49 -2.875 -0.143 -0.519 1.00 0.00 N ATOM 695 CA GLU A 49 -1.545 0.259 -0.963 1.00 0.00 C ATOM 696 C GLU A 49 -1.244 -0.297 -2.352 1.00 0.00 C ATOM 697 O GLU A 49 -1.033 0.457 -3.301 1.00 0.00 O ATOM 698 CB GLU A 49 -0.485 -0.221 0.031 1.00 0.00 C ATOM 699 CG GLU A 49 0.832 0.529 -0.076 1.00 0.00 C ATOM 700 CD GLU A 49 1.950 -0.143 0.699 1.00 0.00 C ATOM 701 OE1 GLU A 49 2.208 -1.339 0.449 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.565 0.527 1.554 1.00 0.00 O ATOM 0 H GLU A 49 -2.920 -0.456 0.451 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.520 1.348 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.873 -0.114 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.303 -1.284 -0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.118 0.607 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.698 1.546 0.294 1.00 0.00 H new ATOM 709 N ALA A 50 -1.226 -1.622 -2.461 1.00 0.00 N ATOM 710 CA ALA A 50 -0.952 -2.279 -3.733 1.00 0.00 C ATOM 711 C ALA A 50 -2.006 -1.920 -4.775 1.00 0.00 C ATOM 712 O ALA A 50 -1.680 -1.623 -5.925 1.00 0.00 O ATOM 713 CB ALA A 50 -0.886 -3.787 -3.544 1.00 0.00 C ATOM 0 H ALA A 50 -1.398 -2.261 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 50 0.014 -1.926 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.681 -4.265 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.091 -4.031 -2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.839 -4.147 -3.156 1.00 0.00 H new ATOM 719 N ARG A 51 -3.270 -1.949 -4.366 1.00 0.00 N ATOM 720 CA ARG A 51 -4.372 -1.628 -5.265 1.00 0.00 C ATOM 721 C ARG A 51 -4.039 -0.409 -6.120 1.00 0.00 C ATOM 722 O ARG A 51 -4.290 -0.395 -7.324 1.00 0.00 O ATOM 723 CB ARG A 51 -5.651 -1.371 -4.466 1.00 0.00 C ATOM 724 CG ARG A 51 -6.920 -1.492 -5.294 1.00 0.00 C ATOM 725 CD ARG A 51 -7.500 -2.896 -5.222 1.00 0.00 C ATOM 726 NE ARG A 51 -8.915 -2.924 -5.583 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.520 -3.986 -6.102 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.838 -5.102 -6.319 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.811 -3.933 -6.404 1.00 0.00 N ATOM 0 H ARG A 51 -3.557 -2.192 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.530 -2.481 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.699 -2.077 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.604 -0.372 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.658 -0.773 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.704 -1.239 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.943 -3.553 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.376 -3.288 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.469 -2.082 -5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.846 -5.147 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.306 -5.916 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.339 -3.076 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.275 -4.749 -6.803 1.00 0.00 H new ATOM 743 N GLY A 52 -3.472 0.614 -5.487 1.00 0.00 N ATOM 744 CA GLY A 52 -3.115 1.824 -6.205 1.00 0.00 C ATOM 745 C GLY A 52 -1.709 1.769 -6.769 1.00 0.00 C ATOM 746 O GLY A 52 -1.514 1.884 -7.979 1.00 0.00 O ATOM 0 H GLY A 52 -3.254 0.626 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.823 1.983 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.201 2.679 -5.535 1.00 0.00 H new ATOM 750 N ARG A 53 -0.727 1.595 -5.891 1.00 0.00 N ATOM 751 CA ARG A 53 0.668 1.529 -6.308 1.00 0.00 C ATOM 752 C ARG A 53 0.797 0.854 -7.671 1.00 0.00 C ATOM 753 O ARG A 53 1.581 1.285 -8.518 1.00 0.00 O ATOM 754 CB ARG A 53 1.498 0.769 -5.272 1.00 0.00 C ATOM 755 CG ARG A 53 2.113 1.664 -4.209 1.00 0.00 C ATOM 756 CD ARG A 53 3.461 2.210 -4.653 1.00 0.00 C ATOM 757 NE ARG A 53 4.069 3.062 -3.634 1.00 0.00 N ATOM 758 CZ ARG A 53 5.015 3.958 -3.895 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.458 4.118 -5.134 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.519 4.696 -2.914 1.00 0.00 N ATOM 0 H ARG A 53 -0.872 1.497 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 53 1.045 2.549 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.866 0.025 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.294 0.227 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.437 2.491 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.234 1.101 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.131 1.381 -4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.336 2.779 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 53 3.750 2.964 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.073 3.553 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.184 4.807 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.180 4.576 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.245 5.384 -3.115 1.00 0.00 H new ATOM 774 N LEU A 54 0.022 -0.205 -7.876 1.00 0.00 N ATOM 775 CA LEU A 54 0.049 -0.940 -9.136 1.00 0.00 C ATOM 776 C LEU A 54 -0.766 -0.218 -10.205 1.00 0.00 C ATOM 777 O LEU A 54 -0.244 0.144 -11.260 1.00 0.00 O ATOM 778 CB LEU A 54 -0.493 -2.356 -8.935 1.00 0.00 C ATOM 779 CG LEU A 54 0.414 -3.319 -8.168 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.241 -4.686 -8.047 1.00 0.00 C ATOM 781 CD2 LEU A 54 1.769 -3.433 -8.851 1.00 0.00 C ATOM 0 H LEU A 54 -0.633 -0.574 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 54 1.084 -0.998 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.445 -2.288 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.701 -2.787 -9.915 1.00 0.00 H new ATOM 0 HG LEU A 54 0.568 -2.922 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.419 -5.358 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.187 -4.590 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.425 -5.091 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.402 -4.122 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.634 -3.806 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.243 -2.452 -8.885 1.00 0.00 H new ATOM 793 N LEU A 55 -2.048 -0.011 -9.924 1.00 0.00 N ATOM 794 CA LEU A 55 -2.936 0.670 -10.860 1.00 0.00 C ATOM 795 C LEU A 55 -2.181 1.733 -11.652 1.00 0.00 C ATOM 796 O LEU A 55 -2.462 1.960 -12.828 1.00 0.00 O ATOM 797 CB LEU A 55 -4.105 1.311 -10.111 1.00 0.00 C ATOM 798 CG LEU A 55 -3.943 2.788 -9.752 1.00 0.00 C ATOM 799 CD1 LEU A 55 -4.075 3.656 -10.994 1.00 0.00 C ATOM 800 CD2 LEU A 55 -4.966 3.197 -8.702 1.00 0.00 C ATOM 0 H LEU A 55 -2.496 -0.305 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.323 -0.071 -11.559 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.003 1.202 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.272 0.750 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.946 2.934 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.957 4.704 -10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.304 3.380 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.058 3.506 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.836 4.251 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.971 3.036 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.825 2.597 -7.803 1.00 0.00 H new ATOM 812 N GLU A 56 -1.220 2.378 -10.999 1.00 0.00 N ATOM 813 CA GLU A 56 -0.423 3.416 -11.643 1.00 0.00 C ATOM 814 C GLU A 56 0.460 2.823 -12.737 1.00 0.00 C ATOM 815 O GLU A 56 0.283 3.116 -13.920 1.00 0.00 O ATOM 816 CB GLU A 56 0.442 4.141 -10.610 1.00 0.00 C ATOM 817 CG GLU A 56 1.111 5.394 -11.149 1.00 0.00 C ATOM 818 CD GLU A 56 2.353 5.088 -11.964 1.00 0.00 C ATOM 819 OE1 GLU A 56 3.420 4.860 -11.356 1.00 0.00 O ATOM 820 OE2 GLU A 56 2.258 5.077 -13.209 1.00 0.00 O ATOM 0 H GLU A 56 -0.974 2.201 -10.025 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.106 4.132 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.177 4.409 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.209 3.457 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.401 5.943 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.378 6.045 -10.317 1.00 0.00 H new ATOM 827 N ARG A 57 1.412 1.989 -12.333 1.00 0.00 N ATOM 828 CA ARG A 57 2.325 1.356 -13.278 1.00 0.00 C ATOM 829 C ARG A 57 1.556 0.706 -14.424 1.00 0.00 C ATOM 830 O ARG A 57 2.046 0.634 -15.551 1.00 0.00 O ATOM 831 CB ARG A 57 3.183 0.308 -12.567 1.00 0.00 C ATOM 832 CG ARG A 57 2.474 -1.020 -12.358 1.00 0.00 C ATOM 833 CD ARG A 57 3.418 -2.074 -11.800 1.00 0.00 C ATOM 834 NE ARG A 57 3.054 -3.420 -12.235 1.00 0.00 N ATOM 835 CZ ARG A 57 3.348 -3.909 -13.435 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.006 -3.167 -14.314 1.00 0.00 N ATOM 837 NH2 ARG A 57 2.983 -5.144 -13.757 1.00 0.00 N ATOM 0 H ARG A 57 1.572 1.736 -11.358 1.00 0.00 H new ATOM 0 HA ARG A 57 2.974 2.128 -13.690 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.090 0.139 -13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.493 0.701 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.636 -0.883 -11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.060 -1.366 -13.305 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.437 -1.853 -12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.408 -2.030 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 57 2.546 -4.017 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.288 -2.218 -14.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.230 -3.545 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.477 -5.718 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.209 -5.519 -14.678 1.00 0.00 H new ATOM 851 N ASN A 58 0.349 0.234 -14.129 1.00 0.00 N ATOM 852 CA ASN A 58 -0.487 -0.410 -15.134 1.00 0.00 C ATOM 853 C ASN A 58 -1.168 0.627 -16.022 1.00 0.00 C ATOM 854 O ASN A 58 -1.264 0.453 -17.237 1.00 0.00 O ATOM 855 CB ASN A 58 -1.541 -1.293 -14.462 1.00 0.00 C ATOM 856 CG ASN A 58 -0.991 -2.648 -14.063 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.652 -3.469 -14.915 1.00 0.00 O ATOM 858 ND2 ASN A 58 -0.900 -2.889 -12.760 1.00 0.00 N ATOM 0 H ASN A 58 -0.072 0.286 -13.201 1.00 0.00 H new ATOM 0 HA ASN A 58 0.154 -1.032 -15.758 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.926 -0.785 -13.577 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.382 -1.431 -15.141 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.537 -3.784 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.193 -2.179 -12.088 1.00 0.00 H new ATOM 865 N GLY A 59 -1.638 1.708 -15.407 1.00 0.00 N ATOM 866 CA GLY A 59 -2.303 2.758 -16.157 1.00 0.00 C ATOM 867 C GLY A 59 -3.812 2.697 -16.026 1.00 0.00 C ATOM 868 O GLY A 59 -4.527 2.666 -17.027 1.00 0.00 O ATOM 0 H GLY A 59 -1.570 1.875 -14.403 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.950 3.729 -15.808 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.029 2.678 -17.209 1.00 0.00 H new ATOM 872 N GLU A 60 -4.297 2.678 -14.788 1.00 0.00 N ATOM 873 CA GLU A 60 -5.731 2.617 -14.531 1.00 0.00 C ATOM 874 C GLU A 60 -6.207 3.873 -13.807 1.00 0.00 C ATOM 875 O GLU A 60 -5.403 4.716 -13.409 1.00 0.00 O ATOM 876 CB GLU A 60 -6.071 1.377 -13.702 1.00 0.00 C ATOM 877 CG GLU A 60 -6.303 0.130 -14.540 1.00 0.00 C ATOM 878 CD GLU A 60 -7.201 0.387 -15.734 1.00 0.00 C ATOM 879 OE1 GLU A 60 -8.330 0.882 -15.531 1.00 0.00 O ATOM 880 OE2 GLU A 60 -6.776 0.094 -16.871 1.00 0.00 O ATOM 0 H GLU A 60 -3.718 2.704 -13.948 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.244 2.555 -15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.260 1.187 -12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.964 1.579 -13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.344 -0.253 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.748 -0.645 -13.916 1.00 0.00 H new ATOM 887 N ASP A 61 -7.520 3.990 -13.640 1.00 0.00 N ATOM 888 CA ASP A 61 -8.105 5.142 -12.963 1.00 0.00 C ATOM 889 C ASP A 61 -8.845 4.712 -11.700 1.00 0.00 C ATOM 890 O ASP A 61 -9.671 3.800 -11.733 1.00 0.00 O ATOM 891 CB ASP A 61 -9.060 5.881 -13.902 1.00 0.00 C ATOM 892 CG ASP A 61 -9.910 4.935 -14.726 1.00 0.00 C ATOM 893 OD1 ASP A 61 -9.350 4.247 -15.605 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.136 4.882 -14.492 1.00 0.00 O ATOM 0 H ASP A 61 -8.199 3.301 -13.964 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.296 5.814 -12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.710 6.532 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.484 6.522 -14.569 1.00 0.00 H new ATOM 899 N TYR A 62 -8.542 5.375 -10.589 1.00 0.00 N ATOM 900 CA TYR A 62 -9.176 5.059 -9.315 1.00 0.00 C ATOM 901 C TYR A 62 -10.210 6.118 -8.943 1.00 0.00 C ATOM 902 O TYR A 62 -9.861 7.237 -8.567 1.00 0.00 O ATOM 903 CB TYR A 62 -8.123 4.950 -8.211 1.00 0.00 C ATOM 904 CG TYR A 62 -7.161 6.116 -8.174 1.00 0.00 C ATOM 905 CD1 TYR A 62 -6.192 6.274 -9.158 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.221 7.060 -7.157 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.310 7.337 -9.128 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.345 8.128 -7.120 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.391 8.261 -8.107 1.00 0.00 C ATOM 910 OH TYR A 62 -4.516 9.323 -8.074 1.00 0.00 O ATOM 0 H TYR A 62 -7.862 6.134 -10.545 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.685 4.101 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.626 4.874 -7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.558 4.028 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.127 5.553 -9.960 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.966 6.957 -6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.562 7.444 -9.899 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.407 8.854 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.932 10.103 -8.498 1.00 0.00 H new ATOM 920 N ILE A 63 -11.483 5.755 -9.052 1.00 0.00 N ATOM 921 CA ILE A 63 -12.569 6.672 -8.726 1.00 0.00 C ATOM 922 C ILE A 63 -13.102 6.415 -7.321 1.00 0.00 C ATOM 923 O ILE A 63 -13.968 5.563 -7.119 1.00 0.00 O ATOM 924 CB ILE A 63 -13.728 6.551 -9.733 1.00 0.00 C ATOM 925 CG1 ILE A 63 -13.229 6.819 -11.154 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.848 7.515 -9.368 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.827 8.258 -11.392 1.00 0.00 C ATOM 0 H ILE A 63 -11.788 4.833 -9.363 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.158 7.680 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.121 5.535 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.375 6.173 -11.358 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.011 6.547 -11.863 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.660 7.418 -10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -15.218 7.281 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.468 8.537 -9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.484 8.375 -12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.684 8.909 -11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.023 8.529 -10.708 1.00 0.00 H new ATOM 939 N CYS A 64 -12.580 7.159 -6.351 1.00 0.00 N ATOM 940 CA CYS A 64 -13.004 7.015 -4.964 1.00 0.00 C ATOM 941 C CYS A 64 -14.507 6.767 -4.877 1.00 0.00 C ATOM 942 O CYS A 64 -15.270 7.099 -5.784 1.00 0.00 O ATOM 943 CB CYS A 64 -12.635 8.266 -4.163 1.00 0.00 C ATOM 944 SG CYS A 64 -13.950 9.525 -4.104 1.00 0.00 S ATOM 0 H CYS A 64 -11.862 7.868 -6.501 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.487 6.154 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.383 7.971 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.740 8.711 -4.597 1.00 0.00 H new ATOM 0 HG CYS A 64 -13.545 10.543 -3.404 1.00 0.00 H new ATOM 949 N PRO A 65 -14.944 6.169 -3.758 1.00 0.00 N ATOM 950 CA PRO A 65 -16.359 5.863 -3.525 1.00 0.00 C ATOM 951 C PRO A 65 -17.193 7.119 -3.297 1.00 0.00 C ATOM 952 O PRO A 65 -18.219 7.321 -3.945 1.00 0.00 O ATOM 953 CB PRO A 65 -16.332 5.002 -2.260 1.00 0.00 C ATOM 954 CG PRO A 65 -15.081 5.401 -1.557 1.00 0.00 C ATOM 955 CD PRO A 65 -14.091 5.745 -2.635 1.00 0.00 C ATOM 0 HA PRO A 65 -16.816 5.370 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.210 5.183 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.327 3.940 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.257 6.254 -0.902 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.710 4.590 -0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.415 6.540 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.473 4.888 -2.901 1.00 0.00 H new ATOM 963 N ASN A 66 -16.745 7.961 -2.371 1.00 0.00 N ATOM 964 CA ASN A 66 -17.451 9.198 -2.057 1.00 0.00 C ATOM 965 C ASN A 66 -17.951 9.877 -3.329 1.00 0.00 C ATOM 966 O ASN A 66 -18.965 10.576 -3.315 1.00 0.00 O ATOM 967 CB ASN A 66 -16.536 10.150 -1.284 1.00 0.00 C ATOM 968 CG ASN A 66 -17.313 11.205 -0.520 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.592 12.285 -1.042 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.665 10.897 0.722 1.00 0.00 N ATOM 0 H ASN A 66 -15.897 7.809 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.312 8.948 -1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.925 9.576 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.853 10.638 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.188 11.568 1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.412 9.990 1.114 1.00 0.00 H new ATOM 977 N CYS A 67 -17.234 9.665 -4.427 1.00 0.00 N ATOM 978 CA CYS A 67 -17.603 10.255 -5.708 1.00 0.00 C ATOM 979 C CYS A 67 -18.795 9.525 -6.320 1.00 0.00 C ATOM 980 O CYS A 67 -19.870 10.102 -6.491 1.00 0.00 O ATOM 981 CB CYS A 67 -16.417 10.215 -6.673 1.00 0.00 C ATOM 982 SG CYS A 67 -15.393 11.722 -6.656 1.00 0.00 S ATOM 0 H CYS A 67 -16.393 9.088 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.885 11.293 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.789 9.359 -6.425 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.790 10.054 -7.684 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.409 11.569 -5.820 1.00 0.00 H new ATOM 987 N THR A 68 -18.598 8.252 -6.647 1.00 0.00 N ATOM 988 CA THR A 68 -19.655 7.443 -7.240 1.00 0.00 C ATOM 989 C THR A 68 -20.870 7.365 -6.321 1.00 0.00 C ATOM 990 O THR A 68 -21.999 7.608 -6.748 1.00 0.00 O ATOM 991 CB THR A 68 -19.165 6.015 -7.545 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.934 6.065 -8.275 1.00 0.00 O ATOM 993 CG2 THR A 68 -20.205 5.246 -8.347 1.00 0.00 C ATOM 0 H THR A 68 -17.716 7.759 -6.511 1.00 0.00 H new ATOM 0 HA THR A 68 -19.939 7.930 -8.173 1.00 0.00 H new ATOM 0 HB THR A 68 -19.005 5.499 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.628 5.153 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.837 4.240 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 68 -21.132 5.185 -7.777 1.00 0.00 H new ATOM 0 HG23 THR A 68 -20.392 5.761 -9.289 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.630 7.027 -5.059 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.705 6.920 -4.080 1.00 0.00 C ATOM 1003 C ILE A 69 -22.774 7.980 -4.320 1.00 0.00 C ATOM 1004 O ILE A 69 -23.965 7.733 -4.123 1.00 0.00 O ATOM 1005 CB ILE A 69 -21.172 7.060 -2.642 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.261 5.882 -2.295 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.328 7.151 -1.656 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.524 6.052 -0.985 1.00 0.00 C ATOM 0 H ILE A 69 -19.701 6.823 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 69 -22.145 5.930 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.588 7.978 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.859 4.972 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.534 5.747 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.936 7.250 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.941 8.020 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.936 6.249 -1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.897 5.179 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.899 6.944 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.244 6.156 -0.173 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.343 9.162 -4.748 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.263 10.261 -5.017 1.00 0.00 C ATOM 1022 C LEU A 70 -23.875 10.130 -6.409 1.00 0.00 C ATOM 1023 O LEU A 70 -25.096 10.128 -6.563 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.539 11.602 -4.890 1.00 0.00 C ATOM 1025 CG LEU A 70 -22.029 11.959 -3.493 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -21.128 13.183 -3.551 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -23.195 12.197 -2.545 1.00 0.00 C ATOM 0 H LEU A 70 -21.362 9.383 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 70 -24.066 10.218 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.691 11.601 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.215 12.390 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.444 11.121 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.774 13.422 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -20.275 12.976 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.688 14.029 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.814 12.450 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.806 13.018 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.801 11.294 -2.480 1.00 0.00 H new