USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 16 SER OG : rot 133:sc= 1.15 USER MOD Set 1.2: A 56 GLN : amide:sc= -4.59! C(o=-3.4!,f=-6!) USER MOD Single : A 22 ASN : amide:sc= 0.45 X(o=0.45,f=0) USER MOD Single : A 24 ASN : amide:sc= -4.63! C(o=-4.6!,f=-5.6!) USER MOD Single : A 25 THR OG1 : rot -140:sc= 0.00146 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 13:sc= 0.43! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 151:sc= -3.2! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -0.0572 X(o=-0.057,f=-0.55) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -155:sc= -2.84 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 74 MET CE :methyl 153:sc= 0 (180deg=-1.03) USER MOD Single : A 78 GLN : amide:sc= -2.94! C(o=-2.9!,f=-2.8!) USER MOD Single : A 83 ASN : amide:sc= -3.57! C(o=-3.6!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 194 N SER A 16 8.971 -0.477 6.430 1.00 0.00 N ATOM 195 CA SER A 16 8.247 0.409 5.535 1.00 0.00 C ATOM 196 C SER A 16 7.426 -0.412 4.538 1.00 0.00 C ATOM 197 O SER A 16 7.952 -0.872 3.526 1.00 0.00 O ATOM 198 CB SER A 16 9.203 1.344 4.792 1.00 0.00 C ATOM 199 OG SER A 16 10.341 0.651 4.285 1.00 0.00 O ATOM 0 HA SER A 16 7.574 1.023 6.133 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.674 1.824 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.531 2.136 5.465 1.00 0.00 H new ATOM 0 HG SER A 16 10.493 0.911 3.352 1.00 0.00 H new ATOM 205 N ARG A 17 6.150 -0.570 4.859 1.00 0.00 N ATOM 206 CA ARG A 17 5.252 -1.328 4.005 1.00 0.00 C ATOM 207 C ARG A 17 3.902 -0.616 3.890 1.00 0.00 C ATOM 208 O ARG A 17 3.458 0.035 4.834 1.00 0.00 O ATOM 209 CB ARG A 17 5.031 -2.740 4.551 1.00 0.00 C ATOM 210 CG ARG A 17 5.198 -3.787 3.449 1.00 0.00 C ATOM 211 CD ARG A 17 5.035 -5.202 4.007 1.00 0.00 C ATOM 212 NE ARG A 17 4.586 -6.120 2.936 1.00 0.00 N ATOM 213 CZ ARG A 17 4.755 -7.449 2.966 1.00 0.00 C ATOM 214 NH1 ARG A 17 5.364 -8.023 4.012 1.00 0.00 N ATOM 215 NH2 ARG A 17 4.315 -8.203 1.950 1.00 0.00 N ATOM 0 H ARG A 17 5.717 -0.186 5.699 1.00 0.00 H new ATOM 0 HA ARG A 17 5.714 -1.401 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.740 -2.938 5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.032 -2.815 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.461 -3.615 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.182 -3.684 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.981 -5.549 4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.311 -5.199 4.822 1.00 0.00 H new ATOM 0 HE ARG A 17 4.119 -5.716 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.699 -7.448 4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.493 -9.035 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.851 -7.766 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.444 -9.215 1.973 1.00 0.00 H new ATOM 229 N VAL A 18 3.288 -0.764 2.725 1.00 0.00 N ATOM 230 CA VAL A 18 1.999 -0.143 2.475 1.00 0.00 C ATOM 231 C VAL A 18 1.060 -1.168 1.836 1.00 0.00 C ATOM 232 O VAL A 18 1.451 -1.884 0.916 1.00 0.00 O ATOM 233 CB VAL A 18 2.180 1.115 1.623 1.00 0.00 C ATOM 234 CG1 VAL A 18 0.842 1.823 1.399 1.00 0.00 C ATOM 235 CG2 VAL A 18 3.202 2.062 2.254 1.00 0.00 C ATOM 0 H VAL A 18 3.660 -1.305 1.944 1.00 0.00 H new ATOM 0 HA VAL A 18 1.542 0.178 3.411 1.00 0.00 H new ATOM 0 HB VAL A 18 2.564 0.808 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.999 2.714 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.155 1.150 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.417 2.111 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.312 2.948 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.860 2.358 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.164 1.556 2.338 1.00 0.00 H new ATOM 245 N PHE A 19 -0.161 -1.205 2.349 1.00 0.00 N ATOM 246 CA PHE A 19 -1.159 -2.130 1.840 1.00 0.00 C ATOM 247 C PHE A 19 -2.213 -1.397 1.008 1.00 0.00 C ATOM 248 O PHE A 19 -3.144 -0.809 1.557 1.00 0.00 O ATOM 249 CB PHE A 19 -1.838 -2.768 3.054 1.00 0.00 C ATOM 250 CG PHE A 19 -3.153 -3.480 2.728 1.00 0.00 C ATOM 251 CD1 PHE A 19 -3.391 -3.924 1.465 1.00 0.00 C ATOM 252 CD2 PHE A 19 -4.083 -3.668 3.702 1.00 0.00 C ATOM 253 CE1 PHE A 19 -4.612 -4.584 1.164 1.00 0.00 C ATOM 254 CE2 PHE A 19 -5.304 -4.328 3.401 1.00 0.00 C ATOM 255 CZ PHE A 19 -5.542 -4.773 2.138 1.00 0.00 C ATOM 0 H PHE A 19 -0.482 -0.609 3.112 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.684 -2.875 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.152 -3.483 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.030 -1.995 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.652 -3.775 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.893 -3.315 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.802 -4.936 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.043 -4.476 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.470 -5.276 1.909 1.00 0.00 H new ATOM 265 N ILE A 20 -2.031 -1.454 -0.303 1.00 0.00 N ATOM 266 CA ILE A 20 -2.955 -0.803 -1.216 1.00 0.00 C ATOM 267 C ILE A 20 -4.167 -1.709 -1.442 1.00 0.00 C ATOM 268 O ILE A 20 -4.043 -2.782 -2.030 1.00 0.00 O ATOM 269 CB ILE A 20 -2.238 -0.401 -2.507 1.00 0.00 C ATOM 270 CG1 ILE A 20 -0.984 0.422 -2.205 1.00 0.00 C ATOM 271 CG2 ILE A 20 -3.189 0.330 -3.457 1.00 0.00 C ATOM 272 CD1 ILE A 20 0.280 -0.332 -2.623 1.00 0.00 C ATOM 0 H ILE A 20 -1.257 -1.941 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.328 0.125 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.912 -1.309 -3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.034 1.375 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.941 0.649 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.655 0.605 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.024 -0.323 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.567 1.230 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.157 0.275 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.340 -1.273 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.245 -0.536 -3.693 1.00 0.00 H new ATOM 284 N GLY A 21 -5.311 -1.243 -0.962 1.00 0.00 N ATOM 285 CA GLY A 21 -6.544 -1.998 -1.104 1.00 0.00 C ATOM 286 C GLY A 21 -7.516 -1.288 -2.048 1.00 0.00 C ATOM 287 O GLY A 21 -7.255 -0.169 -2.487 1.00 0.00 O ATOM 0 H GLY A 21 -5.410 -0.352 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.322 -2.994 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.010 -2.128 -0.127 1.00 0.00 H new ATOM 291 N ASN A 22 -8.618 -1.968 -2.333 1.00 0.00 N ATOM 292 CA ASN A 22 -9.630 -1.416 -3.217 1.00 0.00 C ATOM 293 C ASN A 22 -8.947 -0.691 -4.378 1.00 0.00 C ATOM 294 O ASN A 22 -9.258 0.465 -4.662 1.00 0.00 O ATOM 295 CB ASN A 22 -10.511 -0.405 -2.481 1.00 0.00 C ATOM 296 CG ASN A 22 -11.963 -0.496 -2.954 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.712 -1.382 -2.576 1.00 0.00 O ATOM 298 ND2 ASN A 22 -12.318 0.467 -3.801 1.00 0.00 N ATOM 0 H ASN A 22 -8.831 -2.896 -1.967 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.248 -2.238 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.462 -0.588 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.132 0.603 -2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.267 0.493 -4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.641 1.179 -4.077 1.00 0.00 H new ATOM 305 N LEU A 23 -8.029 -1.400 -5.018 1.00 0.00 N ATOM 306 CA LEU A 23 -7.299 -0.839 -6.142 1.00 0.00 C ATOM 307 C LEU A 23 -7.743 -1.533 -7.431 1.00 0.00 C ATOM 308 O LEU A 23 -7.552 -2.738 -7.589 1.00 0.00 O ATOM 309 CB LEU A 23 -5.791 -0.912 -5.893 1.00 0.00 C ATOM 310 CG LEU A 23 -4.918 -0.044 -6.801 1.00 0.00 C ATOM 311 CD1 LEU A 23 -3.503 -0.615 -6.910 1.00 0.00 C ATOM 312 CD2 LEU A 23 -5.569 0.141 -8.173 1.00 0.00 C ATOM 0 H LEU A 23 -7.774 -2.358 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.529 0.221 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.600 -0.627 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.475 -1.949 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.832 0.944 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.903 0.021 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.048 -0.652 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.548 -1.621 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.928 0.762 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.705 -0.832 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.538 0.625 -8.054 1.00 0.00 H new ATOM 324 N ASN A 24 -8.328 -0.743 -8.320 1.00 0.00 N ATOM 325 CA ASN A 24 -8.801 -1.266 -9.590 1.00 0.00 C ATOM 326 C ASN A 24 -7.614 -1.810 -10.387 1.00 0.00 C ATOM 327 O ASN A 24 -7.107 -1.141 -11.286 1.00 0.00 O ATOM 328 CB ASN A 24 -9.469 -0.170 -10.423 1.00 0.00 C ATOM 329 CG ASN A 24 -10.623 -0.738 -11.251 1.00 0.00 C ATOM 330 OD1 ASN A 24 -10.876 -1.931 -11.276 1.00 0.00 O ATOM 331 ND2 ASN A 24 -11.308 0.182 -11.926 1.00 0.00 N ATOM 0 H ASN A 24 -8.485 0.256 -8.185 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.527 -2.052 -9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.841 0.616 -9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.734 0.289 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.098 -0.096 -12.508 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.043 1.165 -11.861 1.00 0.00 H new ATOM 338 N THR A 25 -7.204 -3.018 -10.028 1.00 0.00 N ATOM 339 CA THR A 25 -6.085 -3.658 -10.698 1.00 0.00 C ATOM 340 C THR A 25 -6.495 -4.116 -12.100 1.00 0.00 C ATOM 341 O THR A 25 -5.701 -4.728 -12.813 1.00 0.00 O ATOM 342 CB THR A 25 -5.590 -4.799 -9.807 1.00 0.00 C ATOM 343 OG1 THR A 25 -6.709 -5.676 -9.712 1.00 0.00 O ATOM 344 CG2 THR A 25 -5.345 -4.351 -8.365 1.00 0.00 C ATOM 0 H THR A 25 -7.627 -3.570 -9.282 1.00 0.00 H new ATOM 0 HA THR A 25 -5.260 -2.961 -10.845 1.00 0.00 H new ATOM 0 HB THR A 25 -4.669 -5.210 -10.221 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.778 -6.020 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.995 -5.198 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.591 -3.564 -8.352 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.274 -3.971 -7.939 1.00 0.00 H new ATOM 352 N LEU A 26 -7.733 -3.802 -12.452 1.00 0.00 N ATOM 353 CA LEU A 26 -8.257 -4.173 -13.755 1.00 0.00 C ATOM 354 C LEU A 26 -7.983 -3.044 -14.751 1.00 0.00 C ATOM 355 O LEU A 26 -8.083 -3.241 -15.961 1.00 0.00 O ATOM 356 CB LEU A 26 -9.735 -4.554 -13.649 1.00 0.00 C ATOM 357 CG LEU A 26 -10.042 -6.053 -13.634 1.00 0.00 C ATOM 358 CD1 LEU A 26 -11.476 -6.315 -13.171 1.00 0.00 C ATOM 359 CD2 LEU A 26 -9.755 -6.685 -14.998 1.00 0.00 C ATOM 0 H LEU A 26 -8.388 -3.295 -11.857 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.749 -5.061 -14.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.139 -4.111 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.267 -4.103 -14.486 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.379 -6.530 -12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.668 -7.388 -13.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.611 -5.921 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.173 -5.823 -13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.981 -7.751 -14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.375 -6.209 -15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.703 -6.546 -15.249 1.00 0.00 H new ATOM 371 N VAL A 27 -7.644 -1.886 -14.204 1.00 0.00 N ATOM 372 CA VAL A 27 -7.355 -0.725 -15.030 1.00 0.00 C ATOM 373 C VAL A 27 -5.991 -0.153 -14.638 1.00 0.00 C ATOM 374 O VAL A 27 -5.134 0.060 -15.494 1.00 0.00 O ATOM 375 CB VAL A 27 -8.488 0.296 -14.911 1.00 0.00 C ATOM 376 CG1 VAL A 27 -9.708 -0.142 -15.723 1.00 0.00 C ATOM 377 CG2 VAL A 27 -8.860 0.535 -13.447 1.00 0.00 C ATOM 0 H VAL A 27 -7.563 -1.726 -13.200 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.299 -1.008 -16.081 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.133 1.240 -15.324 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.499 0.601 -15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.431 -0.236 -16.773 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.064 -1.104 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.668 1.265 -13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.186 -0.402 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.991 0.913 -12.908 1.00 0.00 H new ATOM 387 N VAL A 28 -5.832 0.079 -13.343 1.00 0.00 N ATOM 388 CA VAL A 28 -4.587 0.622 -12.827 1.00 0.00 C ATOM 389 C VAL A 28 -3.464 -0.395 -13.043 1.00 0.00 C ATOM 390 O VAL A 28 -3.705 -1.601 -13.040 1.00 0.00 O ATOM 391 CB VAL A 28 -4.758 1.023 -11.361 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.629 1.952 -10.911 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.126 1.666 -11.124 1.00 0.00 C ATOM 0 H VAL A 28 -6.545 -0.099 -12.636 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.313 1.528 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.706 0.117 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.775 2.222 -9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.672 1.443 -11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.635 2.854 -11.523 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.221 1.942 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.221 2.558 -11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.912 0.957 -11.386 1.00 0.00 H new ATOM 403 N LYS A 29 -2.261 0.130 -13.224 1.00 0.00 N ATOM 404 CA LYS A 29 -1.100 -0.717 -13.440 1.00 0.00 C ATOM 405 C LYS A 29 -0.072 -0.458 -12.336 1.00 0.00 C ATOM 406 O LYS A 29 -0.029 0.631 -11.766 1.00 0.00 O ATOM 407 CB LYS A 29 -0.548 -0.519 -14.853 1.00 0.00 C ATOM 408 CG LYS A 29 0.891 -1.030 -14.956 1.00 0.00 C ATOM 409 CD LYS A 29 0.928 -2.559 -15.000 1.00 0.00 C ATOM 410 CE LYS A 29 2.321 -3.084 -14.645 1.00 0.00 C ATOM 411 NZ LYS A 29 2.821 -3.984 -15.708 1.00 0.00 N ATOM 0 H LYS A 29 -2.065 1.131 -13.226 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.379 -1.769 -13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.177 -1.046 -15.570 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.582 0.538 -15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.361 -0.625 -15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.469 -0.673 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.194 -2.964 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.648 -2.905 -15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.009 -2.249 -14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.284 -3.618 -13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.767 -4.332 -15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.173 -4.790 -15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.875 -3.463 -16.607 1.00 0.00 H new ATOM 425 N LYS A 30 0.730 -1.478 -12.067 1.00 0.00 N ATOM 426 CA LYS A 30 1.754 -1.374 -11.042 1.00 0.00 C ATOM 427 C LYS A 30 2.504 -0.050 -11.209 1.00 0.00 C ATOM 428 O LYS A 30 2.570 0.751 -10.278 1.00 0.00 O ATOM 429 CB LYS A 30 2.665 -2.603 -11.068 1.00 0.00 C ATOM 430 CG LYS A 30 3.135 -2.966 -9.658 1.00 0.00 C ATOM 431 CD LYS A 30 3.011 -4.471 -9.409 1.00 0.00 C ATOM 432 CE LYS A 30 4.389 -5.114 -9.237 1.00 0.00 C ATOM 433 NZ LYS A 30 5.010 -5.369 -10.556 1.00 0.00 N ATOM 0 H LYS A 30 0.691 -2.380 -12.541 1.00 0.00 H new ATOM 0 HA LYS A 30 1.301 -1.362 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.131 -3.447 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.528 -2.407 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.172 -2.656 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.543 -2.422 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.410 -4.647 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.489 -4.939 -10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.031 -4.460 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.294 -6.050 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.944 -5.805 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.404 -6.011 -11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.118 -4.470 -11.068 1.00 0.00 H new ATOM 447 N SER A 31 3.050 0.138 -12.401 1.00 0.00 N ATOM 448 CA SER A 31 3.792 1.351 -12.702 1.00 0.00 C ATOM 449 C SER A 31 3.005 2.576 -12.232 1.00 0.00 C ATOM 450 O SER A 31 3.573 3.496 -11.646 1.00 0.00 O ATOM 451 CB SER A 31 4.094 1.455 -14.198 1.00 0.00 C ATOM 452 OG SER A 31 5.490 1.359 -14.469 1.00 0.00 O ATOM 0 H SER A 31 2.994 -0.529 -13.170 1.00 0.00 H new ATOM 0 HA SER A 31 4.742 1.312 -12.170 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.566 0.664 -14.730 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.715 2.403 -14.579 1.00 0.00 H new ATOM 0 HG SER A 31 5.641 1.428 -15.435 1.00 0.00 H new ATOM 458 N ASP A 32 1.709 2.548 -12.507 1.00 0.00 N ATOM 459 CA ASP A 32 0.839 3.645 -12.120 1.00 0.00 C ATOM 460 C ASP A 32 0.843 3.781 -10.596 1.00 0.00 C ATOM 461 O ASP A 32 0.695 4.881 -10.067 1.00 0.00 O ATOM 462 CB ASP A 32 -0.602 3.389 -12.568 1.00 0.00 C ATOM 463 CG ASP A 32 -0.777 3.129 -14.065 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.263 2.950 -14.736 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.947 3.115 -14.506 1.00 0.00 O ATOM 0 H ASP A 32 1.241 1.783 -12.993 1.00 0.00 H new ATOM 0 HA ASP A 32 1.209 4.553 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.991 2.532 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.211 4.249 -12.290 1.00 0.00 H new ATOM 470 N VAL A 33 1.014 2.646 -9.934 1.00 0.00 N ATOM 471 CA VAL A 33 1.039 2.624 -8.481 1.00 0.00 C ATOM 472 C VAL A 33 2.469 2.875 -7.996 1.00 0.00 C ATOM 473 O VAL A 33 2.681 3.252 -6.845 1.00 0.00 O ATOM 474 CB VAL A 33 0.456 1.307 -7.967 1.00 0.00 C ATOM 475 CG1 VAL A 33 0.375 1.302 -6.439 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.915 1.034 -8.590 1.00 0.00 C ATOM 0 H VAL A 33 1.137 1.735 -10.377 1.00 0.00 H new ATOM 0 HA VAL A 33 0.414 3.420 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 33 1.127 0.503 -8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.043 0.354 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.374 1.428 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.264 2.120 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.307 0.092 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.599 1.843 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.816 0.973 -9.674 1.00 0.00 H new ATOM 486 N GLU A 34 3.413 2.655 -8.900 1.00 0.00 N ATOM 487 CA GLU A 34 4.816 2.852 -8.579 1.00 0.00 C ATOM 488 C GLU A 34 5.237 4.288 -8.897 1.00 0.00 C ATOM 489 O GLU A 34 6.185 4.805 -8.309 1.00 0.00 O ATOM 490 CB GLU A 34 5.695 1.845 -9.323 1.00 0.00 C ATOM 491 CG GLU A 34 5.993 0.626 -8.449 1.00 0.00 C ATOM 492 CD GLU A 34 6.585 -0.514 -9.281 1.00 0.00 C ATOM 493 OE1 GLU A 34 7.407 -0.201 -10.169 1.00 0.00 O ATOM 494 OE2 GLU A 34 6.201 -1.673 -9.010 1.00 0.00 O ATOM 0 H GLU A 34 3.233 2.342 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 34 4.951 2.683 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.195 1.527 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.629 2.322 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.689 0.903 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.077 0.289 -7.964 1.00 0.00 H new ATOM 501 N ALA A 35 4.511 4.891 -9.827 1.00 0.00 N ATOM 502 CA ALA A 35 4.797 6.258 -10.230 1.00 0.00 C ATOM 503 C ALA A 35 4.040 7.224 -9.317 1.00 0.00 C ATOM 504 O ALA A 35 4.576 8.257 -8.919 1.00 0.00 O ATOM 505 CB ALA A 35 4.431 6.442 -11.704 1.00 0.00 C ATOM 0 H ALA A 35 3.725 4.458 -10.313 1.00 0.00 H new ATOM 0 HA ALA A 35 5.861 6.474 -10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.645 7.467 -12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.017 5.754 -12.313 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.370 6.237 -11.844 1.00 0.00 H new ATOM 511 N ILE A 36 2.805 6.853 -9.010 1.00 0.00 N ATOM 512 CA ILE A 36 1.969 7.674 -8.151 1.00 0.00 C ATOM 513 C ILE A 36 2.549 7.679 -6.736 1.00 0.00 C ATOM 514 O ILE A 36 2.443 8.674 -6.020 1.00 0.00 O ATOM 515 CB ILE A 36 0.513 7.209 -8.217 1.00 0.00 C ATOM 516 CG1 ILE A 36 -0.096 7.505 -9.590 1.00 0.00 C ATOM 517 CG2 ILE A 36 -0.310 7.819 -7.081 1.00 0.00 C ATOM 518 CD1 ILE A 36 -1.457 6.825 -9.744 1.00 0.00 C ATOM 0 H ILE A 36 2.364 5.995 -9.341 1.00 0.00 H new ATOM 0 HA ILE A 36 1.965 8.707 -8.498 1.00 0.00 H new ATOM 0 HB ILE A 36 0.494 6.127 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.207 8.582 -9.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.578 7.159 -10.373 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.341 7.472 -7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.111 7.514 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.287 8.906 -7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.868 7.051 -10.728 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.339 5.746 -9.640 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.136 7.192 -8.974 1.00 0.00 H new ATOM 530 N PHE A 37 3.150 6.555 -6.373 1.00 0.00 N ATOM 531 CA PHE A 37 3.748 6.417 -5.056 1.00 0.00 C ATOM 532 C PHE A 37 5.225 6.816 -5.079 1.00 0.00 C ATOM 533 O PHE A 37 5.841 6.988 -4.029 1.00 0.00 O ATOM 534 CB PHE A 37 3.636 4.942 -4.666 1.00 0.00 C ATOM 535 CG PHE A 37 2.211 4.491 -4.337 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.229 4.606 -5.270 1.00 0.00 C ATOM 537 CD2 PHE A 37 1.927 3.976 -3.111 1.00 0.00 C ATOM 538 CE1 PHE A 37 -0.093 4.188 -4.965 1.00 0.00 C ATOM 539 CE2 PHE A 37 0.605 3.557 -2.805 1.00 0.00 C ATOM 540 CZ PHE A 37 -0.377 3.672 -3.739 1.00 0.00 C ATOM 0 H PHE A 37 3.236 5.731 -6.968 1.00 0.00 H new ATOM 0 HA PHE A 37 3.236 7.066 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.020 4.331 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.274 4.756 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.455 5.015 -6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.707 3.886 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.873 4.280 -5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.380 3.147 -1.831 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.383 3.353 -3.507 1.00 0.00 H new ATOM 550 N SER A 38 5.749 6.950 -6.288 1.00 0.00 N ATOM 551 CA SER A 38 7.142 7.325 -6.462 1.00 0.00 C ATOM 552 C SER A 38 7.360 8.762 -5.986 1.00 0.00 C ATOM 553 O SER A 38 8.498 9.216 -5.870 1.00 0.00 O ATOM 554 CB SER A 38 7.574 7.178 -7.922 1.00 0.00 C ATOM 555 OG SER A 38 8.612 8.091 -8.267 1.00 0.00 O ATOM 0 H SER A 38 5.234 6.806 -7.157 1.00 0.00 H new ATOM 0 HA SER A 38 7.755 6.653 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.915 6.158 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.715 7.343 -8.572 1.00 0.00 H new ATOM 0 HG SER A 38 8.982 8.489 -7.451 1.00 0.00 H new ATOM 561 N LYS A 39 6.252 9.440 -5.724 1.00 0.00 N ATOM 562 CA LYS A 39 6.308 10.817 -5.263 1.00 0.00 C ATOM 563 C LYS A 39 6.236 10.842 -3.735 1.00 0.00 C ATOM 564 O LYS A 39 6.393 11.896 -3.120 1.00 0.00 O ATOM 565 CB LYS A 39 5.224 11.654 -5.945 1.00 0.00 C ATOM 566 CG LYS A 39 3.877 10.927 -5.926 1.00 0.00 C ATOM 567 CD LYS A 39 2.720 11.920 -5.798 1.00 0.00 C ATOM 568 CE LYS A 39 1.558 11.528 -6.713 1.00 0.00 C ATOM 569 NZ LYS A 39 0.311 11.374 -5.931 1.00 0.00 N ATOM 0 H LYS A 39 5.310 9.061 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 39 7.256 11.276 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.130 12.615 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.514 11.862 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.761 10.344 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.851 10.224 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.378 11.954 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.066 12.922 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.420 12.288 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.790 10.595 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.467 11.108 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.441 10.632 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.082 12.273 -5.462 1.00 0.00 H new ATOM 583 N TYR A 40 5.997 9.670 -3.166 1.00 0.00 N ATOM 584 CA TYR A 40 5.901 9.544 -1.722 1.00 0.00 C ATOM 585 C TYR A 40 7.121 8.817 -1.153 1.00 0.00 C ATOM 586 O TYR A 40 7.053 8.237 -0.070 1.00 0.00 O ATOM 587 CB TYR A 40 4.651 8.705 -1.453 1.00 0.00 C ATOM 588 CG TYR A 40 3.345 9.503 -1.495 1.00 0.00 C ATOM 589 CD1 TYR A 40 3.216 10.655 -0.746 1.00 0.00 C ATOM 590 CD2 TYR A 40 2.297 9.070 -2.281 1.00 0.00 C ATOM 591 CE1 TYR A 40 1.988 11.405 -0.785 1.00 0.00 C ATOM 592 CE2 TYR A 40 1.069 9.820 -2.320 1.00 0.00 C ATOM 593 CZ TYR A 40 0.975 10.951 -1.570 1.00 0.00 C ATOM 594 OH TYR A 40 -0.185 11.660 -1.607 1.00 0.00 O ATOM 0 H TYR A 40 5.867 8.798 -3.679 1.00 0.00 H new ATOM 0 HA TYR A 40 5.853 10.527 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.599 7.903 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.746 8.234 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.036 10.994 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.398 8.168 -2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.874 12.308 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.241 9.492 -2.931 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.819 11.219 -2.210 1.00 0.00 H new ATOM 604 N GLY A 41 8.208 8.871 -1.909 1.00 0.00 N ATOM 605 CA GLY A 41 9.441 8.224 -1.493 1.00 0.00 C ATOM 606 C GLY A 41 9.922 7.229 -2.552 1.00 0.00 C ATOM 607 O GLY A 41 9.206 6.942 -3.510 1.00 0.00 O ATOM 0 H GLY A 41 8.260 9.353 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.210 8.976 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.283 7.706 -0.547 1.00 0.00 H new ATOM 611 N LYS A 42 11.132 6.731 -2.343 1.00 0.00 N ATOM 612 CA LYS A 42 11.717 5.774 -3.267 1.00 0.00 C ATOM 613 C LYS A 42 11.182 4.375 -2.952 1.00 0.00 C ATOM 614 O LYS A 42 11.335 3.886 -1.834 1.00 0.00 O ATOM 615 CB LYS A 42 13.244 5.869 -3.241 1.00 0.00 C ATOM 616 CG LYS A 42 13.877 4.735 -4.048 1.00 0.00 C ATOM 617 CD LYS A 42 14.919 5.276 -5.030 1.00 0.00 C ATOM 618 CE LYS A 42 16.231 4.497 -4.922 1.00 0.00 C ATOM 619 NZ LYS A 42 17.369 5.337 -5.357 1.00 0.00 N ATOM 0 H LYS A 42 11.723 6.972 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 42 11.424 6.005 -4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.559 6.830 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.597 5.828 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.346 4.020 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.103 4.196 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.534 5.208 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.101 6.331 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.384 4.171 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.179 3.598 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.252 4.793 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.229 5.627 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.427 6.182 -4.754 1.00 0.00 H new ATOM 633 N ILE A 43 10.568 3.772 -3.958 1.00 0.00 N ATOM 634 CA ILE A 43 10.010 2.439 -3.803 1.00 0.00 C ATOM 635 C ILE A 43 11.117 1.401 -4.002 1.00 0.00 C ATOM 636 O ILE A 43 11.856 1.457 -4.983 1.00 0.00 O ATOM 637 CB ILE A 43 8.813 2.247 -4.736 1.00 0.00 C ATOM 638 CG1 ILE A 43 7.700 3.247 -4.414 1.00 0.00 C ATOM 639 CG2 ILE A 43 8.313 0.801 -4.697 1.00 0.00 C ATOM 640 CD1 ILE A 43 6.475 3.008 -5.299 1.00 0.00 C ATOM 0 H ILE A 43 10.444 4.181 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 43 9.623 2.304 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 43 9.140 2.447 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.418 3.157 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.066 4.263 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.462 0.692 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.113 0.131 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.008 0.549 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.699 3.732 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.755 3.122 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.097 1.999 -5.132 1.00 0.00 H new ATOM 652 N VAL A 44 11.196 0.479 -3.054 1.00 0.00 N ATOM 653 CA VAL A 44 12.200 -0.570 -3.113 1.00 0.00 C ATOM 654 C VAL A 44 11.543 -1.874 -3.571 1.00 0.00 C ATOM 655 O VAL A 44 12.211 -2.750 -4.118 1.00 0.00 O ATOM 656 CB VAL A 44 12.902 -0.698 -1.759 1.00 0.00 C ATOM 657 CG1 VAL A 44 13.443 0.655 -1.292 1.00 0.00 C ATOM 658 CG2 VAL A 44 11.967 -1.306 -0.712 1.00 0.00 C ATOM 0 H VAL A 44 10.582 0.436 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 44 12.971 -0.321 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 44 13.749 -1.373 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.937 0.536 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.159 1.032 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.619 1.362 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.491 -1.386 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.091 -0.668 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.652 -2.298 -1.037 1.00 0.00 H new ATOM 668 N GLY A 45 10.243 -1.960 -3.332 1.00 0.00 N ATOM 669 CA GLY A 45 9.489 -3.142 -3.714 1.00 0.00 C ATOM 670 C GLY A 45 7.988 -2.850 -3.740 1.00 0.00 C ATOM 671 O GLY A 45 7.414 -2.440 -2.732 1.00 0.00 O ATOM 0 H GLY A 45 9.692 -1.231 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.814 -3.483 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.694 -3.951 -3.012 1.00 0.00 H new ATOM 675 N CYS A 46 7.394 -3.072 -4.904 1.00 0.00 N ATOM 676 CA CYS A 46 5.971 -2.838 -5.074 1.00 0.00 C ATOM 677 C CYS A 46 5.353 -4.080 -5.718 1.00 0.00 C ATOM 678 O CYS A 46 5.960 -4.698 -6.592 1.00 0.00 O ATOM 679 CB CYS A 46 5.700 -1.575 -5.895 1.00 0.00 C ATOM 680 SG CYS A 46 3.915 -1.449 -6.280 1.00 0.00 S ATOM 0 H CYS A 46 7.873 -3.411 -5.738 1.00 0.00 H new ATOM 0 HA CYS A 46 5.509 -2.667 -4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.024 -0.694 -5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.279 -1.601 -6.818 1.00 0.00 H new ATOM 0 HG CYS A 46 3.584 -0.197 -6.398 1.00 0.00 H new ATOM 686 N SER A 47 4.154 -4.410 -5.262 1.00 0.00 N ATOM 687 CA SER A 47 3.447 -5.568 -5.783 1.00 0.00 C ATOM 688 C SER A 47 1.957 -5.251 -5.927 1.00 0.00 C ATOM 689 O SER A 47 1.413 -4.450 -5.169 1.00 0.00 O ATOM 690 CB SER A 47 3.645 -6.786 -4.878 1.00 0.00 C ATOM 691 OG SER A 47 4.948 -6.818 -4.302 1.00 0.00 O ATOM 0 H SER A 47 3.654 -3.896 -4.537 1.00 0.00 H new ATOM 0 HA SER A 47 3.857 -5.807 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.898 -6.773 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.481 -7.696 -5.455 1.00 0.00 H new ATOM 0 HG SER A 47 5.034 -7.609 -3.730 1.00 0.00 H new ATOM 697 N VAL A 48 1.340 -5.895 -6.907 1.00 0.00 N ATOM 698 CA VAL A 48 -0.076 -5.692 -7.160 1.00 0.00 C ATOM 699 C VAL A 48 -0.768 -7.051 -7.285 1.00 0.00 C ATOM 700 O VAL A 48 -0.593 -7.752 -8.280 1.00 0.00 O ATOM 701 CB VAL A 48 -0.265 -4.810 -8.396 1.00 0.00 C ATOM 702 CG1 VAL A 48 -1.725 -4.810 -8.852 1.00 0.00 C ATOM 703 CG2 VAL A 48 0.228 -3.385 -8.133 1.00 0.00 C ATOM 0 H VAL A 48 1.795 -6.558 -7.535 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.541 -5.166 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 48 0.337 -5.229 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.831 -4.175 -9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.029 -5.827 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.357 -4.427 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.082 -2.779 -9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.334 -2.952 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.288 -3.408 -7.879 1.00 0.00 H new ATOM 713 N HIS A 49 -1.540 -7.382 -6.260 1.00 0.00 N ATOM 714 CA HIS A 49 -2.259 -8.644 -6.242 1.00 0.00 C ATOM 715 C HIS A 49 -3.745 -8.392 -6.500 1.00 0.00 C ATOM 716 O HIS A 49 -4.369 -7.582 -5.815 1.00 0.00 O ATOM 717 CB HIS A 49 -2.003 -9.396 -4.934 1.00 0.00 C ATOM 718 CG HIS A 49 -0.570 -9.337 -4.461 1.00 0.00 C ATOM 719 ND1 HIS A 49 0.384 -10.263 -4.844 1.00 0.00 N ATOM 720 CD2 HIS A 49 0.060 -8.454 -3.635 1.00 0.00 C ATOM 721 CE1 HIS A 49 1.533 -9.943 -4.268 1.00 0.00 C ATOM 722 NE2 HIS A 49 1.330 -8.821 -3.518 1.00 0.00 N ATOM 0 H HIS A 49 -1.683 -6.798 -5.436 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.892 -9.287 -7.041 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.648 -8.984 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.289 -10.440 -5.065 1.00 0.00 H new ATOM 0 HD1 HIS A 49 0.229 -11.057 -5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.397 -7.600 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.466 -10.476 -4.373 1.00 0.00 H new ATOM 730 N LYS A 50 -4.270 -9.100 -7.489 1.00 0.00 N ATOM 731 CA LYS A 50 -5.672 -8.963 -7.847 1.00 0.00 C ATOM 732 C LYS A 50 -6.504 -8.801 -6.573 1.00 0.00 C ATOM 733 O LYS A 50 -6.749 -9.773 -5.860 1.00 0.00 O ATOM 734 CB LYS A 50 -6.117 -10.131 -8.728 1.00 0.00 C ATOM 735 CG LYS A 50 -5.769 -11.472 -8.078 1.00 0.00 C ATOM 736 CD LYS A 50 -5.895 -12.618 -9.084 1.00 0.00 C ATOM 737 CE LYS A 50 -4.520 -13.183 -9.445 1.00 0.00 C ATOM 738 NZ LYS A 50 -4.629 -14.611 -9.819 1.00 0.00 N ATOM 0 H LYS A 50 -3.749 -9.771 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.827 -8.066 -8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.192 -10.074 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.635 -10.060 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.752 -11.437 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.431 -11.652 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.518 -13.408 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.394 -12.262 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.093 -12.616 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.841 -13.073 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.687 -14.979 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.017 -15.151 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.260 -14.708 -10.640 1.00 0.00 H new ATOM 752 N GLY A 51 -6.917 -7.566 -6.327 1.00 0.00 N ATOM 753 CA GLY A 51 -7.717 -7.265 -5.152 1.00 0.00 C ATOM 754 C GLY A 51 -7.054 -6.181 -4.300 1.00 0.00 C ATOM 755 O GLY A 51 -7.720 -5.512 -3.512 1.00 0.00 O ATOM 0 H GLY A 51 -6.713 -6.763 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.710 -6.935 -5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.851 -8.169 -4.557 1.00 0.00 H new ATOM 759 N PHE A 52 -5.750 -6.041 -4.488 1.00 0.00 N ATOM 760 CA PHE A 52 -4.989 -5.050 -3.747 1.00 0.00 C ATOM 761 C PHE A 52 -3.555 -4.956 -4.270 1.00 0.00 C ATOM 762 O PHE A 52 -3.224 -5.550 -5.295 1.00 0.00 O ATOM 763 CB PHE A 52 -4.958 -5.509 -2.287 1.00 0.00 C ATOM 764 CG PHE A 52 -4.702 -7.007 -2.112 1.00 0.00 C ATOM 765 CD1 PHE A 52 -5.742 -7.883 -2.144 1.00 0.00 C ATOM 766 CD2 PHE A 52 -3.435 -7.463 -1.924 1.00 0.00 C ATOM 767 CE1 PHE A 52 -5.504 -9.274 -1.981 1.00 0.00 C ATOM 768 CE2 PHE A 52 -3.197 -8.853 -1.761 1.00 0.00 C ATOM 769 CZ PHE A 52 -4.237 -9.729 -1.793 1.00 0.00 C ATOM 0 H PHE A 52 -5.201 -6.598 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.452 -4.069 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.183 -4.954 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.908 -5.256 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.749 -7.521 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.609 -6.767 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.330 -9.970 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.190 -9.215 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.056 -10.786 -1.669 1.00 0.00 H new ATOM 779 N ALA A 53 -2.741 -4.205 -3.542 1.00 0.00 N ATOM 780 CA ALA A 53 -1.350 -4.025 -3.920 1.00 0.00 C ATOM 781 C ALA A 53 -0.521 -3.726 -2.669 1.00 0.00 C ATOM 782 O ALA A 53 -1.073 -3.476 -1.599 1.00 0.00 O ATOM 783 CB ALA A 53 -1.244 -2.916 -4.968 1.00 0.00 C ATOM 0 H ALA A 53 -3.019 -3.714 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.954 -4.936 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.200 -2.782 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.826 -3.190 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.630 -1.985 -4.553 1.00 0.00 H new ATOM 789 N PHE A 54 0.792 -3.760 -2.846 1.00 0.00 N ATOM 790 CA PHE A 54 1.702 -3.496 -1.745 1.00 0.00 C ATOM 791 C PHE A 54 2.938 -2.732 -2.227 1.00 0.00 C ATOM 792 O PHE A 54 3.574 -3.126 -3.203 1.00 0.00 O ATOM 793 CB PHE A 54 2.140 -4.853 -1.191 1.00 0.00 C ATOM 794 CG PHE A 54 1.206 -5.418 -0.119 1.00 0.00 C ATOM 795 CD1 PHE A 54 0.114 -6.143 -0.483 1.00 0.00 C ATOM 796 CD2 PHE A 54 1.467 -5.196 1.197 1.00 0.00 C ATOM 797 CE1 PHE A 54 -0.754 -6.668 0.511 1.00 0.00 C ATOM 798 CE2 PHE A 54 0.600 -5.721 2.191 1.00 0.00 C ATOM 799 CZ PHE A 54 -0.492 -6.446 1.827 1.00 0.00 C ATOM 0 H PHE A 54 1.247 -3.966 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 54 1.205 -2.889 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.206 -5.566 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.142 -4.757 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.093 -6.319 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.334 -4.620 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.621 -7.243 0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.807 -5.545 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.151 -6.846 2.583 1.00 0.00 H new ATOM 809 N VAL A 55 3.241 -1.654 -1.519 1.00 0.00 N ATOM 810 CA VAL A 55 4.388 -0.832 -1.862 1.00 0.00 C ATOM 811 C VAL A 55 5.372 -0.822 -0.690 1.00 0.00 C ATOM 812 O VAL A 55 4.965 -0.916 0.467 1.00 0.00 O ATOM 813 CB VAL A 55 3.926 0.570 -2.267 1.00 0.00 C ATOM 814 CG1 VAL A 55 5.120 1.510 -2.446 1.00 0.00 C ATOM 815 CG2 VAL A 55 3.072 0.521 -3.535 1.00 0.00 C ATOM 0 H VAL A 55 2.712 -1.331 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 55 4.912 -1.248 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 55 3.307 0.964 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.764 2.499 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.671 1.581 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.777 1.120 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.757 1.530 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.657 0.097 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.193 -0.099 -3.358 1.00 0.00 H new ATOM 825 N GLN A 56 6.647 -0.707 -1.030 1.00 0.00 N ATOM 826 CA GLN A 56 7.692 -0.684 -0.021 1.00 0.00 C ATOM 827 C GLN A 56 8.661 0.470 -0.286 1.00 0.00 C ATOM 828 O GLN A 56 9.407 0.446 -1.264 1.00 0.00 O ATOM 829 CB GLN A 56 8.433 -2.021 0.032 1.00 0.00 C ATOM 830 CG GLN A 56 9.446 -2.042 1.179 1.00 0.00 C ATOM 831 CD GLN A 56 8.998 -2.996 2.289 1.00 0.00 C ATOM 832 OE1 GLN A 56 8.181 -3.879 2.091 1.00 0.00 O ATOM 833 NE2 GLN A 56 9.578 -2.768 3.464 1.00 0.00 N ATOM 0 H GLN A 56 6.980 -0.629 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 56 7.227 -0.526 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.717 -2.833 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.946 -2.194 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.421 -2.350 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.563 -1.037 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.255 -2.011 3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.346 -3.350 4.269 1.00 0.00 H new ATOM 842 N TYR A 57 8.619 1.453 0.602 1.00 0.00 N ATOM 843 CA TYR A 57 9.484 2.613 0.476 1.00 0.00 C ATOM 844 C TYR A 57 10.828 2.373 1.166 1.00 0.00 C ATOM 845 O TYR A 57 10.989 1.395 1.895 1.00 0.00 O ATOM 846 CB TYR A 57 8.758 3.759 1.183 1.00 0.00 C ATOM 847 CG TYR A 57 7.467 4.200 0.490 1.00 0.00 C ATOM 848 CD1 TYR A 57 6.310 3.465 0.654 1.00 0.00 C ATOM 849 CD2 TYR A 57 7.459 5.332 -0.298 1.00 0.00 C ATOM 850 CE1 TYR A 57 5.095 3.880 0.002 1.00 0.00 C ATOM 851 CE2 TYR A 57 6.244 5.747 -0.950 1.00 0.00 C ATOM 852 CZ TYR A 57 5.122 5.000 -0.768 1.00 0.00 C ATOM 853 OH TYR A 57 3.974 5.392 -1.384 1.00 0.00 O ATOM 0 H TYR A 57 7.999 1.469 1.412 1.00 0.00 H new ATOM 0 HA TYR A 57 9.685 2.830 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.525 3.453 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.431 4.614 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.316 2.579 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.364 5.907 -0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.183 3.314 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.224 6.631 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 57 4.194 5.924 -2.177 1.00 0.00 H new ATOM 863 N VAL A 58 11.758 3.282 0.913 1.00 0.00 N ATOM 864 CA VAL A 58 13.083 3.181 1.501 1.00 0.00 C ATOM 865 C VAL A 58 12.972 3.310 3.022 1.00 0.00 C ATOM 866 O VAL A 58 13.681 2.628 3.760 1.00 0.00 O ATOM 867 CB VAL A 58 14.013 4.224 0.879 1.00 0.00 C ATOM 868 CG1 VAL A 58 15.140 4.599 1.843 1.00 0.00 C ATOM 869 CG2 VAL A 58 14.574 3.731 -0.457 1.00 0.00 C ATOM 0 H VAL A 58 11.620 4.092 0.309 1.00 0.00 H new ATOM 0 HA VAL A 58 13.522 2.206 1.288 1.00 0.00 H new ATOM 0 HB VAL A 58 13.427 5.122 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.786 5.342 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.714 5.012 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.724 3.710 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.232 4.491 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.137 2.811 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.753 3.539 -1.148 1.00 0.00 H new ATOM 879 N ASN A 59 12.077 4.191 3.445 1.00 0.00 N ATOM 880 CA ASN A 59 11.864 4.419 4.864 1.00 0.00 C ATOM 881 C ASN A 59 10.365 4.367 5.166 1.00 0.00 C ATOM 882 O ASN A 59 9.549 4.239 4.254 1.00 0.00 O ATOM 883 CB ASN A 59 12.383 5.795 5.285 1.00 0.00 C ATOM 884 CG ASN A 59 13.218 5.698 6.564 1.00 0.00 C ATOM 885 OD1 ASN A 59 12.794 6.079 7.643 1.00 0.00 O ATOM 886 ND2 ASN A 59 14.425 5.170 6.383 1.00 0.00 N ATOM 0 H ASN A 59 11.491 4.755 2.830 1.00 0.00 H new ATOM 0 HA ASN A 59 12.402 3.647 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.987 6.221 4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.543 6.471 5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.059 5.063 7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.717 4.872 5.452 1.00 0.00 H new ATOM 893 N GLU A 60 10.048 4.468 6.448 1.00 0.00 N ATOM 894 CA GLU A 60 8.661 4.434 6.881 1.00 0.00 C ATOM 895 C GLU A 60 8.016 5.810 6.704 1.00 0.00 C ATOM 896 O GLU A 60 6.971 5.932 6.068 1.00 0.00 O ATOM 897 CB GLU A 60 8.551 3.959 8.331 1.00 0.00 C ATOM 898 CG GLU A 60 7.194 3.302 8.591 1.00 0.00 C ATOM 899 CD GLU A 60 6.051 4.293 8.359 1.00 0.00 C ATOM 900 OE1 GLU A 60 5.701 4.994 9.332 1.00 0.00 O ATOM 901 OE2 GLU A 60 5.554 4.327 7.212 1.00 0.00 O ATOM 0 H GLU A 60 10.728 4.573 7.201 1.00 0.00 H new ATOM 0 HA GLU A 60 8.123 3.720 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.350 3.249 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.685 4.805 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.072 2.440 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.156 2.931 9.615 1.00 0.00 H new ATOM 908 N ARG A 61 8.666 6.811 7.279 1.00 0.00 N ATOM 909 CA ARG A 61 8.169 8.174 7.194 1.00 0.00 C ATOM 910 C ARG A 61 7.650 8.461 5.783 1.00 0.00 C ATOM 911 O ARG A 61 6.723 9.251 5.608 1.00 0.00 O ATOM 912 CB ARG A 61 9.265 9.183 7.542 1.00 0.00 C ATOM 913 CG ARG A 61 9.583 9.152 9.038 1.00 0.00 C ATOM 914 CD ARG A 61 10.097 10.511 9.518 1.00 0.00 C ATOM 915 NE ARG A 61 8.971 11.327 10.025 1.00 0.00 N ATOM 916 CZ ARG A 61 8.264 11.032 11.124 1.00 0.00 C ATOM 917 NH1 ARG A 61 8.562 9.938 11.838 1.00 0.00 N ATOM 918 NH2 ARG A 61 7.260 11.830 11.509 1.00 0.00 N ATOM 0 H ARG A 61 9.533 6.705 7.806 1.00 0.00 H new ATOM 0 HA ARG A 61 7.356 8.277 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.166 8.959 6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.946 10.185 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.688 8.879 9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.331 8.385 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.839 10.372 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.594 11.031 8.699 1.00 0.00 H new ATOM 0 HE ARG A 61 8.717 12.167 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.327 9.330 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.024 9.713 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.033 12.663 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.722 11.605 12.346 1.00 0.00 H new ATOM 932 N ASN A 62 8.270 7.805 4.814 1.00 0.00 N ATOM 933 CA ASN A 62 7.882 7.980 3.424 1.00 0.00 C ATOM 934 C ASN A 62 6.608 7.179 3.150 1.00 0.00 C ATOM 935 O ASN A 62 5.639 7.713 2.613 1.00 0.00 O ATOM 936 CB ASN A 62 8.973 7.473 2.480 1.00 0.00 C ATOM 937 CG ASN A 62 10.233 8.335 2.583 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.216 7.972 3.208 1.00 0.00 O ATOM 939 ND2 ASN A 62 10.150 9.494 1.936 1.00 0.00 N ATOM 0 H ASN A 62 9.039 7.151 4.963 1.00 0.00 H new ATOM 0 HA ASN A 62 7.721 9.044 3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.216 6.438 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.604 7.483 1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.939 10.140 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.297 9.737 1.432 1.00 0.00 H new ATOM 946 N ALA A 63 6.652 5.911 3.530 1.00 0.00 N ATOM 947 CA ALA A 63 5.513 5.030 3.331 1.00 0.00 C ATOM 948 C ALA A 63 4.260 5.684 3.917 1.00 0.00 C ATOM 949 O ALA A 63 3.370 6.101 3.178 1.00 0.00 O ATOM 950 CB ALA A 63 5.807 3.666 3.960 1.00 0.00 C ATOM 0 H ALA A 63 7.458 5.472 3.975 1.00 0.00 H new ATOM 0 HA ALA A 63 5.334 4.868 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.953 3.005 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.689 3.231 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.989 3.789 5.028 1.00 0.00 H new ATOM 956 N ARG A 64 4.231 5.754 5.240 1.00 0.00 N ATOM 957 CA ARG A 64 3.102 6.350 5.933 1.00 0.00 C ATOM 958 C ARG A 64 2.589 7.569 5.163 1.00 0.00 C ATOM 959 O ARG A 64 1.389 7.834 5.142 1.00 0.00 O ATOM 960 CB ARG A 64 3.489 6.777 7.350 1.00 0.00 C ATOM 961 CG ARG A 64 2.407 7.665 7.970 1.00 0.00 C ATOM 962 CD ARG A 64 2.769 8.047 9.407 1.00 0.00 C ATOM 963 NE ARG A 64 2.100 7.132 10.358 1.00 0.00 N ATOM 964 CZ ARG A 64 2.390 7.065 11.665 1.00 0.00 C ATOM 965 NH1 ARG A 64 3.338 7.857 12.183 1.00 0.00 N ATOM 966 NH2 ARG A 64 1.731 6.204 12.453 1.00 0.00 N ATOM 0 H ARG A 64 4.971 5.408 5.850 1.00 0.00 H new ATOM 0 HA ARG A 64 2.316 5.597 5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.640 5.894 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.436 7.315 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.284 8.567 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.451 7.141 7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.849 8.000 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.467 9.075 9.606 1.00 0.00 H new ATOM 0 HE ARG A 64 1.373 6.514 9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.840 8.512 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.558 7.806 13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.010 5.601 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.951 6.152 13.448 1.00 0.00 H new ATOM 980 N ALA A 65 3.525 8.277 4.548 1.00 0.00 N ATOM 981 CA ALA A 65 3.183 9.461 3.778 1.00 0.00 C ATOM 982 C ALA A 65 2.062 9.119 2.796 1.00 0.00 C ATOM 983 O ALA A 65 0.958 9.652 2.897 1.00 0.00 O ATOM 984 CB ALA A 65 4.434 9.991 3.074 1.00 0.00 C ATOM 0 H ALA A 65 4.520 8.053 4.567 1.00 0.00 H new ATOM 0 HA ALA A 65 2.817 10.252 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.178 10.879 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.189 10.247 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.828 9.225 2.406 1.00 0.00 H new ATOM 990 N ALA A 66 2.383 8.230 1.867 1.00 0.00 N ATOM 991 CA ALA A 66 1.417 7.810 0.866 1.00 0.00 C ATOM 992 C ALA A 66 0.175 7.254 1.565 1.00 0.00 C ATOM 993 O ALA A 66 -0.948 7.645 1.249 1.00 0.00 O ATOM 994 CB ALA A 66 2.064 6.790 -0.073 1.00 0.00 C ATOM 0 H ALA A 66 3.299 7.789 1.787 1.00 0.00 H new ATOM 0 HA ALA A 66 1.102 8.658 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.339 6.475 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.923 7.244 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.391 5.923 0.501 1.00 0.00 H new ATOM 1000 N VAL A 67 0.418 6.349 2.503 1.00 0.00 N ATOM 1001 CA VAL A 67 -0.666 5.735 3.249 1.00 0.00 C ATOM 1002 C VAL A 67 -1.632 6.822 3.725 1.00 0.00 C ATOM 1003 O VAL A 67 -2.830 6.576 3.863 1.00 0.00 O ATOM 1004 CB VAL A 67 -0.102 4.894 4.396 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -1.225 4.350 5.281 1.00 0.00 C ATOM 1006 CG2 VAL A 67 0.775 3.759 3.863 1.00 0.00 C ATOM 0 H VAL A 67 1.350 6.027 2.763 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.230 5.055 2.611 1.00 0.00 H new ATOM 0 HB VAL A 67 0.524 5.541 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.797 3.756 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.791 5.181 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.889 3.725 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.163 3.176 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.181 3.114 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.606 4.177 3.295 1.00 0.00 H new ATOM 1016 N ALA A 68 -1.076 8.001 3.961 1.00 0.00 N ATOM 1017 CA ALA A 68 -1.874 9.126 4.418 1.00 0.00 C ATOM 1018 C ALA A 68 -2.318 9.954 3.211 1.00 0.00 C ATOM 1019 O ALA A 68 -3.417 10.508 3.204 1.00 0.00 O ATOM 1020 CB ALA A 68 -1.066 9.949 5.424 1.00 0.00 C ATOM 0 H ALA A 68 -0.083 8.202 3.844 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.772 8.778 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.664 10.793 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.799 9.323 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.158 10.318 4.947 1.00 0.00 H new ATOM 1026 N GLY A 69 -1.442 10.013 2.219 1.00 0.00 N ATOM 1027 CA GLY A 69 -1.730 10.764 1.009 1.00 0.00 C ATOM 1028 C GLY A 69 -2.576 9.937 0.039 1.00 0.00 C ATOM 1029 O GLY A 69 -3.773 10.180 -0.109 1.00 0.00 O ATOM 0 H GLY A 69 -0.532 9.553 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.257 11.683 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.797 11.055 0.526 1.00 0.00 H new ATOM 1033 N GLU A 70 -1.921 8.978 -0.597 1.00 0.00 N ATOM 1034 CA GLU A 70 -2.598 8.113 -1.549 1.00 0.00 C ATOM 1035 C GLU A 70 -3.990 7.744 -1.034 1.00 0.00 C ATOM 1036 O GLU A 70 -4.998 8.154 -1.608 1.00 0.00 O ATOM 1037 CB GLU A 70 -1.770 6.860 -1.837 1.00 0.00 C ATOM 1038 CG GLU A 70 -1.205 6.890 -3.259 1.00 0.00 C ATOM 1039 CD GLU A 70 -2.217 6.332 -4.262 1.00 0.00 C ATOM 1040 OE1 GLU A 70 -2.596 5.153 -4.089 1.00 0.00 O ATOM 1041 OE2 GLU A 70 -2.588 7.096 -5.179 1.00 0.00 O ATOM 0 H GLU A 70 -0.928 8.780 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.711 8.657 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.953 6.787 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.389 5.973 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.946 7.913 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.286 6.306 -3.301 1.00 0.00 H new ATOM 1048 N ASP A 71 -4.002 6.973 0.044 1.00 0.00 N ATOM 1049 CA ASP A 71 -5.254 6.544 0.643 1.00 0.00 C ATOM 1050 C ASP A 71 -6.276 7.679 0.547 1.00 0.00 C ATOM 1051 O ASP A 71 -6.116 8.719 1.184 1.00 0.00 O ATOM 1052 CB ASP A 71 -5.068 6.200 2.122 1.00 0.00 C ATOM 1053 CG ASP A 71 -6.358 5.876 2.879 1.00 0.00 C ATOM 1054 OD1 ASP A 71 -7.005 6.842 3.337 1.00 0.00 O ATOM 1055 OD2 ASP A 71 -6.667 4.669 2.981 1.00 0.00 O ATOM 0 H ASP A 71 -3.164 6.635 0.518 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.598 5.659 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.395 5.346 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.576 7.038 2.615 1.00 0.00 H new ATOM 1060 N GLY A 72 -7.304 7.440 -0.254 1.00 0.00 N ATOM 1061 CA GLY A 72 -8.352 8.429 -0.442 1.00 0.00 C ATOM 1062 C GLY A 72 -8.252 9.079 -1.823 1.00 0.00 C ATOM 1063 O GLY A 72 -8.720 10.198 -2.022 1.00 0.00 O ATOM 0 H GLY A 72 -7.434 6.576 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.328 7.956 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.277 9.195 0.330 1.00 0.00 H new ATOM 1067 N ARG A 73 -7.637 8.348 -2.742 1.00 0.00 N ATOM 1068 CA ARG A 73 -7.469 8.840 -4.099 1.00 0.00 C ATOM 1069 C ARG A 73 -8.416 8.106 -5.051 1.00 0.00 C ATOM 1070 O ARG A 73 -8.566 6.888 -4.966 1.00 0.00 O ATOM 1071 CB ARG A 73 -6.028 8.651 -4.579 1.00 0.00 C ATOM 1072 CG ARG A 73 -5.540 9.881 -5.346 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.235 9.583 -6.088 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.615 10.845 -6.549 1.00 0.00 N ATOM 1075 CZ ARG A 73 -4.069 11.573 -7.578 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -5.149 11.168 -8.260 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -3.442 12.705 -7.926 1.00 0.00 N ATOM 0 H ARG A 73 -7.249 7.420 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.703 9.905 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.377 8.469 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.967 7.771 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.303 10.197 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.388 10.709 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.548 9.049 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.432 8.933 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.790 11.182 -6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.625 10.306 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.495 11.722 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.619 13.012 -7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.788 13.259 -8.709 1.00 0.00 H new ATOM 1091 N MET A 74 -9.031 8.879 -5.935 1.00 0.00 N ATOM 1092 CA MET A 74 -9.959 8.318 -6.901 1.00 0.00 C ATOM 1093 C MET A 74 -9.235 7.912 -8.186 1.00 0.00 C ATOM 1094 O MET A 74 -9.053 8.731 -9.085 1.00 0.00 O ATOM 1095 CB MET A 74 -11.041 9.349 -7.228 1.00 0.00 C ATOM 1096 CG MET A 74 -12.439 8.761 -7.024 1.00 0.00 C ATOM 1097 SD MET A 74 -13.669 10.046 -7.172 1.00 0.00 S ATOM 1098 CE MET A 74 -15.151 9.088 -6.901 1.00 0.00 C ATOM 0 H MET A 74 -8.904 9.889 -6.002 1.00 0.00 H new ATOM 0 HA MET A 74 -10.413 7.428 -6.466 1.00 0.00 H new ATOM 0 HB2 MET A 74 -10.916 10.227 -6.594 1.00 0.00 H new ATOM 0 HB3 MET A 74 -10.930 9.683 -8.260 1.00 0.00 H new ATOM 0 HG2 MET A 74 -12.626 7.981 -7.762 1.00 0.00 H new ATOM 0 HG3 MET A 74 -12.506 8.293 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.929 9.730 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.491 8.668 -7.848 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.939 8.280 -6.201 1.00 0.00 H new ATOM 1108 N ILE A 75 -8.841 6.648 -8.232 1.00 0.00 N ATOM 1109 CA ILE A 75 -8.140 6.124 -9.392 1.00 0.00 C ATOM 1110 C ILE A 75 -9.110 5.294 -10.236 1.00 0.00 C ATOM 1111 O ILE A 75 -9.637 4.285 -9.771 1.00 0.00 O ATOM 1112 CB ILE A 75 -6.889 5.356 -8.960 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -5.728 5.613 -9.924 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -7.187 3.863 -8.807 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -4.902 6.820 -9.477 1.00 0.00 C ATOM 0 H ILE A 75 -8.994 5.971 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.784 6.939 -10.023 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.583 5.725 -7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.091 4.730 -9.975 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.116 5.785 -10.928 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.281 3.341 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.961 3.722 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.532 3.461 -9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.084 6.981 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.537 7.706 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.496 6.635 -8.483 1.00 0.00 H new ATOM 1127 N ALA A 76 -9.315 5.751 -11.463 1.00 0.00 N ATOM 1128 CA ALA A 76 -10.212 5.064 -12.376 1.00 0.00 C ATOM 1129 C ALA A 76 -11.659 5.415 -12.024 1.00 0.00 C ATOM 1130 O ALA A 76 -12.592 4.948 -12.676 1.00 0.00 O ATOM 1131 CB ALA A 76 -9.946 3.558 -12.318 1.00 0.00 C ATOM 0 H ALA A 76 -8.875 6.588 -11.846 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.035 5.386 -13.402 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.619 3.043 -13.003 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.914 3.360 -12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.115 3.197 -11.303 1.00 0.00 H new ATOM 1137 N GLY A 77 -11.801 6.234 -10.993 1.00 0.00 N ATOM 1138 CA GLY A 77 -13.119 6.653 -10.546 1.00 0.00 C ATOM 1139 C GLY A 77 -13.454 6.046 -9.182 1.00 0.00 C ATOM 1140 O GLY A 77 -14.444 6.422 -8.556 1.00 0.00 O ATOM 0 H GLY A 77 -11.025 6.619 -10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.157 7.741 -10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.868 6.350 -11.277 1.00 0.00 H new ATOM 1144 N GLN A 78 -12.609 5.116 -8.760 1.00 0.00 N ATOM 1145 CA GLN A 78 -12.803 4.452 -7.482 1.00 0.00 C ATOM 1146 C GLN A 78 -11.755 4.927 -6.474 1.00 0.00 C ATOM 1147 O GLN A 78 -10.657 5.327 -6.856 1.00 0.00 O ATOM 1148 CB GLN A 78 -12.761 2.931 -7.642 1.00 0.00 C ATOM 1149 CG GLN A 78 -11.327 2.441 -7.851 1.00 0.00 C ATOM 1150 CD GLN A 78 -11.260 0.913 -7.826 1.00 0.00 C ATOM 1151 OE1 GLN A 78 -10.522 0.310 -7.065 1.00 0.00 O ATOM 1152 NE2 GLN A 78 -12.071 0.322 -8.699 1.00 0.00 N ATOM 0 H GLN A 78 -11.788 4.807 -9.281 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.790 4.716 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.186 2.457 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.378 2.634 -8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.948 2.809 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.682 2.850 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.664 0.887 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -12.100 -0.696 -8.760 1.00 0.00 H new ATOM 1161 N VAL A 79 -12.132 4.868 -5.205 1.00 0.00 N ATOM 1162 CA VAL A 79 -11.239 5.287 -4.138 1.00 0.00 C ATOM 1163 C VAL A 79 -10.304 4.130 -3.778 1.00 0.00 C ATOM 1164 O VAL A 79 -10.692 2.966 -3.859 1.00 0.00 O ATOM 1165 CB VAL A 79 -12.050 5.793 -2.944 1.00 0.00 C ATOM 1166 CG1 VAL A 79 -11.131 6.242 -1.807 1.00 0.00 C ATOM 1167 CG2 VAL A 79 -12.996 6.920 -3.363 1.00 0.00 C ATOM 0 H VAL A 79 -13.044 4.536 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.616 6.119 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.657 4.966 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.733 6.597 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.518 5.402 -1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.486 7.048 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.561 7.262 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -12.417 7.749 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.685 6.553 -4.123 1.00 0.00 H new ATOM 1177 N LEU A 80 -9.090 4.492 -3.389 1.00 0.00 N ATOM 1178 CA LEU A 80 -8.097 3.499 -3.017 1.00 0.00 C ATOM 1179 C LEU A 80 -7.955 3.472 -1.494 1.00 0.00 C ATOM 1180 O LEU A 80 -7.573 4.469 -0.884 1.00 0.00 O ATOM 1181 CB LEU A 80 -6.780 3.756 -3.752 1.00 0.00 C ATOM 1182 CG LEU A 80 -6.875 3.881 -5.274 1.00 0.00 C ATOM 1183 CD1 LEU A 80 -5.493 4.096 -5.894 1.00 0.00 C ATOM 1184 CD2 LEU A 80 -7.593 2.673 -5.880 1.00 0.00 C ATOM 0 H LEU A 80 -8.772 5.459 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.419 2.505 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.340 4.673 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.091 2.945 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.473 4.762 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.589 4.182 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.054 5.010 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.850 3.249 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.647 2.787 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.043 1.764 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.601 2.607 -5.472 1.00 0.00 H new ATOM 1196 N ASP A 81 -8.271 2.319 -0.922 1.00 0.00 N ATOM 1197 CA ASP A 81 -8.184 2.148 0.518 1.00 0.00 C ATOM 1198 C ASP A 81 -6.807 1.587 0.879 1.00 0.00 C ATOM 1199 O ASP A 81 -6.570 0.386 0.751 1.00 0.00 O ATOM 1200 CB ASP A 81 -9.243 1.165 1.021 1.00 0.00 C ATOM 1201 CG ASP A 81 -10.240 1.747 2.025 1.00 0.00 C ATOM 1202 OD1 ASP A 81 -9.769 2.243 3.071 1.00 0.00 O ATOM 1203 OD2 ASP A 81 -11.452 1.682 1.724 1.00 0.00 O ATOM 0 H ASP A 81 -8.588 1.494 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.345 3.120 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.796 0.780 0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.739 0.316 1.483 1.00 0.00 H new ATOM 1208 N ILE A 82 -5.936 2.481 1.321 1.00 0.00 N ATOM 1209 CA ILE A 82 -4.589 2.090 1.701 1.00 0.00 C ATOM 1210 C ILE A 82 -4.425 2.245 3.214 1.00 0.00 C ATOM 1211 O ILE A 82 -5.106 3.060 3.835 1.00 0.00 O ATOM 1212 CB ILE A 82 -3.555 2.869 0.887 1.00 0.00 C ATOM 1213 CG1 ILE A 82 -4.012 3.036 -0.564 1.00 0.00 C ATOM 1214 CG2 ILE A 82 -2.175 2.214 0.981 1.00 0.00 C ATOM 1215 CD1 ILE A 82 -2.878 3.579 -1.437 1.00 0.00 C ATOM 0 H ILE A 82 -6.136 3.476 1.425 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.417 1.039 1.468 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.467 3.868 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.350 2.076 -0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.864 3.714 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.459 2.788 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.854 2.190 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.228 1.196 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.229 3.688 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.559 4.550 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.037 2.886 -1.413 1.00 0.00 H new ATOM 1227 N ASN A 83 -3.518 1.452 3.764 1.00 0.00 N ATOM 1228 CA ASN A 83 -3.255 1.491 5.192 1.00 0.00 C ATOM 1229 C ASN A 83 -1.894 0.852 5.474 1.00 0.00 C ATOM 1230 O ASN A 83 -1.532 -0.146 4.853 1.00 0.00 O ATOM 1231 CB ASN A 83 -4.315 0.707 5.969 1.00 0.00 C ATOM 1232 CG ASN A 83 -4.283 -0.776 5.595 1.00 0.00 C ATOM 1233 OD1 ASN A 83 -4.214 -1.150 4.436 1.00 0.00 O ATOM 1234 ND2 ASN A 83 -4.338 -1.598 6.640 1.00 0.00 N ATOM 0 H ASN A 83 -2.955 0.778 3.246 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.272 2.534 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.144 0.820 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.303 1.118 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.323 -2.608 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.395 -1.218 7.585 1.00 0.00 H new ATOM 1241 N LEU A 84 -1.176 1.454 6.411 1.00 0.00 N ATOM 1242 CA LEU A 84 0.137 0.957 6.783 1.00 0.00 C ATOM 1243 C LEU A 84 0.001 -0.461 7.341 1.00 0.00 C ATOM 1244 O LEU A 84 -0.790 -0.701 8.251 1.00 0.00 O ATOM 1245 CB LEU A 84 0.827 1.930 7.741 1.00 0.00 C ATOM 1246 CG LEU A 84 2.079 2.627 7.202 1.00 0.00 C ATOM 1247 CD1 LEU A 84 2.497 3.784 8.112 1.00 0.00 C ATOM 1248 CD2 LEU A 84 3.215 1.625 6.989 1.00 0.00 C ATOM 0 H LEU A 84 -1.479 2.282 6.924 1.00 0.00 H new ATOM 0 HA LEU A 84 0.783 0.896 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.107 2.694 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.099 1.387 8.646 1.00 0.00 H new ATOM 0 HG LEU A 84 1.840 3.054 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.389 4.262 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.688 4.513 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.712 3.402 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.092 2.146 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.462 1.148 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.901 0.866 6.272 1.00 0.00 H new ATOM 1260 N ALA A 85 0.785 -1.365 6.770 1.00 0.00 N ATOM 1261 CA ALA A 85 0.763 -2.753 7.199 1.00 0.00 C ATOM 1262 C ALA A 85 1.242 -2.842 8.649 1.00 0.00 C ATOM 1263 O ALA A 85 2.410 -3.134 8.903 1.00 0.00 O ATOM 1264 CB ALA A 85 1.617 -3.594 6.249 1.00 0.00 C ATOM 0 H ALA A 85 1.439 -1.163 6.014 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.251 -3.150 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.601 -4.635 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.217 -3.520 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.643 -3.227 6.261 1.00 0.00 H new ATOM 1270 N ALA A 86 0.317 -2.586 9.562 1.00 0.00 N ATOM 1271 CA ALA A 86 0.631 -2.634 10.979 1.00 0.00 C ATOM 1272 C ALA A 86 -0.655 -2.452 11.788 1.00 0.00 C ATOM 1273 O ALA A 86 -1.050 -3.341 12.541 1.00 0.00 O ATOM 1274 CB ALA A 86 1.681 -1.570 11.306 1.00 0.00 C ATOM 0 H ALA A 86 -0.651 -2.345 9.348 1.00 0.00 H new ATOM 0 HA ALA A 86 1.054 -3.602 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.917 -1.606 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.585 -1.761 10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.291 -0.584 11.054 1.00 0.00 H new