USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 720 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 63 GLN : amide:sc= -1.15 K(o=-0.42,f=-3.7!) USER MOD Set 1.2: A 98 TYR OH : rot -98:sc= 0.733 USER MOD Set 2.1: A 66 ASN : amide:sc= 1.56 K(o=-1.3,f=-6.7!) USER MOD Set 2.2: A 67 CYS SG : rot -40:sc= -0.766 USER MOD Set 2.3: A 70 CYS SG : rot -12:sc= 1.71 USER MOD Set 2.4: A 71 SER OG : rot 82:sc= 0.981 USER MOD Set 2.5: A 84 HIS : no HE2:sc= -1.89 K(o=-1.3,f=-0.51) USER MOD Set 2.6: A 101 CYS SG : rot 80:sc= -2.9! USER MOD Single : A 18 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.047) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0105 (180deg=-0.151) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -107:sc= -2.41! (180deg=-4.09!) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 1.24 (180deg=-0.533) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.24 (180deg=1.19) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0.894 (180deg=0.184) USER MOD Single : A 32 GLN : amide:sc=-0.00314 K(o=-0.0031,f=-0.83) USER MOD Single : A 35 GLN : amide:sc= 0.644 K(o=0.64,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -0.0651 (180deg=-0.36) USER MOD Single : A 49 MET CE :methyl -139:sc= -3.94! (180deg=-4.29!) USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 0.841 (180deg=-0.0813) USER MOD Single : A 53 SER OG : rot 85:sc= 2.22 USER MOD Single : A 55 ASN : amide:sc= -0.414 K(o=-0.41,f=-5.7!) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0.545 (180deg=0.512) USER MOD Single : A 58 TYR OH : rot -98:sc= -0.257 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 48:sc= -1.27 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0.469 (180deg=0.434) USER MOD Single : A 68 SER OG : rot 64:sc= 0.943 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0877 K(o=-0.088,f=-1.1) USER MOD Single : A 76 CYS SG : rot -160:sc= -0.822! USER MOD Single : A 77 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.033) USER MOD Single : A 78 ASN : amide:sc= -0.0282 K(o=-0.028,f=-0.81) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -126:sc= 0.0333 (180deg=-0.0247) USER MOD Single : A 90 ASN : amide:sc= -0.0109 K(o=-0.011,f=-0.9) USER MOD Single : A 93 SER OG : rot 4:sc= 0.823 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.275 5.573 6.525 1.00 0.00 N ATOM 226 CA ASP A 16 -20.190 6.272 5.620 1.00 0.00 C ATOM 227 C ASP A 16 -19.472 7.370 4.851 1.00 0.00 C ATOM 228 O ASP A 16 -19.751 7.598 3.674 1.00 0.00 O ATOM 229 CB ASP A 16 -21.362 6.884 6.395 1.00 0.00 C ATOM 230 CG ASP A 16 -22.275 5.846 7.013 1.00 0.00 C ATOM 231 OD1 ASP A 16 -23.243 5.422 6.346 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.037 5.457 8.174 1.00 0.00 O ATOM 0 HA ASP A 16 -20.570 5.535 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.971 7.530 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.943 7.516 5.723 1.00 0.00 H new ATOM 237 N PHE A 17 -18.547 8.041 5.528 1.00 0.00 N ATOM 238 CA PHE A 17 -17.794 9.135 4.928 1.00 0.00 C ATOM 239 C PHE A 17 -17.107 8.704 3.633 1.00 0.00 C ATOM 240 O PHE A 17 -17.324 9.311 2.588 1.00 0.00 O ATOM 241 CB PHE A 17 -16.757 9.678 5.916 1.00 0.00 C ATOM 242 CG PHE A 17 -15.887 10.761 5.340 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.383 12.039 5.149 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.572 10.497 4.983 1.00 0.00 C ATOM 245 CE1 PHE A 17 -15.587 13.036 4.614 1.00 0.00 C ATOM 246 CE2 PHE A 17 -13.771 11.487 4.448 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.278 12.757 4.262 1.00 0.00 C ATOM 0 H PHE A 17 -18.300 7.845 6.498 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.504 9.925 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.273 10.066 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.125 8.857 6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.404 12.261 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.170 9.505 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -15.986 14.029 4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.749 11.267 4.176 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.654 13.532 3.842 1.00 0.00 H new ATOM 257 N GLN A 18 -16.285 7.659 3.693 1.00 0.00 N ATOM 258 CA GLN A 18 -15.548 7.228 2.511 1.00 0.00 C ATOM 259 C GLN A 18 -16.484 6.581 1.498 1.00 0.00 C ATOM 260 O GLN A 18 -16.250 6.658 0.294 1.00 0.00 O ATOM 261 CB GLN A 18 -14.416 6.268 2.866 1.00 0.00 C ATOM 262 CG GLN A 18 -14.877 4.878 3.269 1.00 0.00 C ATOM 263 CD GLN A 18 -13.722 3.909 3.446 1.00 0.00 C ATOM 264 OE1 GLN A 18 -13.794 2.989 4.256 1.00 0.00 O ATOM 265 NE2 GLN A 18 -12.654 4.096 2.679 1.00 0.00 N ATOM 0 H GLN A 18 -16.115 7.104 4.532 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.104 8.119 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.747 6.182 2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.835 6.696 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.439 4.941 4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.558 4.491 2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.631 4.872 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.857 3.464 2.752 1.00 0.00 H new ATOM 274 N LYS A 19 -17.549 5.953 1.994 1.00 0.00 N ATOM 275 CA LYS A 19 -18.542 5.329 1.130 1.00 0.00 C ATOM 276 C LYS A 19 -19.156 6.358 0.193 1.00 0.00 C ATOM 277 O LYS A 19 -19.250 6.132 -1.011 1.00 0.00 O ATOM 278 CB LYS A 19 -19.637 4.662 1.961 1.00 0.00 C ATOM 279 CG LYS A 19 -19.191 3.379 2.640 1.00 0.00 C ATOM 280 CD LYS A 19 -20.281 2.803 3.532 1.00 0.00 C ATOM 281 CE LYS A 19 -21.507 2.396 2.729 1.00 0.00 C ATOM 282 NZ LYS A 19 -21.208 1.284 1.787 1.00 0.00 N ATOM 0 H LYS A 19 -17.744 5.864 2.991 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.041 4.566 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.983 5.363 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.489 4.445 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.915 2.645 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.299 3.574 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.893 1.937 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.566 3.541 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.302 2.092 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.877 3.256 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.097 0.911 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.610 1.637 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.707 0.526 2.293 1.00 0.00 H new ATOM 296 N ARG A 20 -19.561 7.493 0.748 1.00 0.00 N ATOM 297 CA ARG A 20 -20.140 8.558 -0.057 1.00 0.00 C ATOM 298 C ARG A 20 -19.050 9.326 -0.800 1.00 0.00 C ATOM 299 O ARG A 20 -19.279 9.833 -1.898 1.00 0.00 O ATOM 300 CB ARG A 20 -20.980 9.509 0.808 1.00 0.00 C ATOM 301 CG ARG A 20 -20.190 10.303 1.835 1.00 0.00 C ATOM 302 CD ARG A 20 -21.116 11.193 2.644 1.00 0.00 C ATOM 303 NE ARG A 20 -20.415 11.984 3.656 1.00 0.00 N ATOM 304 CZ ARG A 20 -20.934 12.260 4.854 1.00 0.00 C ATOM 305 NH1 ARG A 20 -22.069 11.678 5.230 1.00 0.00 N ATOM 306 NH2 ARG A 20 -20.309 13.085 5.684 1.00 0.00 N ATOM 0 H ARG A 20 -19.500 7.698 1.745 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.801 8.101 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.502 10.207 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.742 8.928 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.658 9.622 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.438 10.911 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.645 11.865 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.869 10.575 3.133 1.00 0.00 H new ATOM 0 HE ARG A 20 -19.486 12.341 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.539 11.024 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.470 11.885 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.425 13.513 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.712 13.291 6.598 1.00 0.00 H new ATOM 320 N LEU A 21 -17.861 9.385 -0.204 1.00 0.00 N ATOM 321 CA LEU A 21 -16.725 10.073 -0.808 1.00 0.00 C ATOM 322 C LEU A 21 -16.353 9.439 -2.146 1.00 0.00 C ATOM 323 O LEU A 21 -16.236 10.132 -3.154 1.00 0.00 O ATOM 324 CB LEU A 21 -15.525 10.036 0.148 1.00 0.00 C ATOM 325 CG LEU A 21 -14.166 10.399 -0.463 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.168 11.829 -0.986 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.059 10.208 0.563 1.00 0.00 C ATOM 0 H LEU A 21 -17.660 8.962 0.702 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.006 11.110 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.723 10.719 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.454 9.034 0.572 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.981 9.733 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.193 12.061 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.935 11.935 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.377 12.516 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.100 10.469 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.246 10.851 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.038 9.167 0.886 1.00 0.00 H new ATOM 339 N GLU A 22 -16.204 8.122 -2.154 1.00 0.00 N ATOM 340 CA GLU A 22 -15.883 7.397 -3.375 1.00 0.00 C ATOM 341 C GLU A 22 -17.104 7.276 -4.278 1.00 0.00 C ATOM 342 O GLU A 22 -16.972 7.163 -5.492 1.00 0.00 O ATOM 343 CB GLU A 22 -15.311 6.017 -3.046 1.00 0.00 C ATOM 344 CG GLU A 22 -13.937 6.074 -2.393 1.00 0.00 C ATOM 345 CD GLU A 22 -12.862 6.607 -3.327 1.00 0.00 C ATOM 346 OE1 GLU A 22 -12.310 5.813 -4.120 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.552 7.818 -3.265 1.00 0.00 O ATOM 0 H GLU A 22 -16.301 7.533 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.124 7.963 -3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.000 5.495 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.246 5.431 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.987 6.706 -1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.658 5.075 -2.057 1.00 0.00 H new ATOM 354 N GLN A 23 -18.290 7.293 -3.680 1.00 0.00 N ATOM 355 CA GLN A 23 -19.535 7.227 -4.439 1.00 0.00 C ATOM 356 C GLN A 23 -19.665 8.434 -5.359 1.00 0.00 C ATOM 357 O GLN A 23 -19.845 8.291 -6.571 1.00 0.00 O ATOM 358 CB GLN A 23 -20.724 7.175 -3.485 1.00 0.00 C ATOM 359 CG GLN A 23 -22.039 6.824 -4.155 1.00 0.00 C ATOM 360 CD GLN A 23 -23.191 6.791 -3.173 1.00 0.00 C ATOM 361 OE1 GLN A 23 -23.860 7.799 -2.950 1.00 0.00 O ATOM 362 NE2 GLN A 23 -23.423 5.639 -2.567 1.00 0.00 N ATOM 0 H GLN A 23 -18.416 7.352 -2.670 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.522 6.323 -5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.519 6.442 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.825 8.143 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.252 7.552 -4.938 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.949 5.852 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.845 4.826 -2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.180 5.564 -1.887 1.00 0.00 H new ATOM 371 N MET A 24 -19.569 9.622 -4.775 1.00 0.00 N ATOM 372 CA MET A 24 -19.616 10.856 -5.552 1.00 0.00 C ATOM 373 C MET A 24 -18.396 10.946 -6.464 1.00 0.00 C ATOM 374 O MET A 24 -18.485 11.409 -7.598 1.00 0.00 O ATOM 375 CB MET A 24 -19.696 12.085 -4.634 1.00 0.00 C ATOM 376 CG MET A 24 -18.488 12.276 -3.730 1.00 0.00 C ATOM 377 SD MET A 24 -18.697 13.625 -2.546 1.00 0.00 S ATOM 378 CE MET A 24 -18.944 15.019 -3.646 1.00 0.00 C ATOM 0 H MET A 24 -19.459 9.758 -3.770 1.00 0.00 H new ATOM 0 HA MET A 24 -20.516 10.841 -6.167 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.817 12.976 -5.250 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.589 12.002 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.297 11.350 -3.187 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.609 12.472 -4.344 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.052 15.646 -3.645 1.00 0.00 H new ATOM 0 HE2 MET A 24 -19.132 14.656 -4.657 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.799 15.604 -3.306 1.00 0.00 H new ATOM 388 N LYS A 25 -17.265 10.480 -5.950 1.00 0.00 N ATOM 389 CA LYS A 25 -16.020 10.397 -6.707 1.00 0.00 C ATOM 390 C LYS A 25 -16.227 9.615 -8.002 1.00 0.00 C ATOM 391 O LYS A 25 -15.845 10.060 -9.085 1.00 0.00 O ATOM 392 CB LYS A 25 -14.978 9.679 -5.846 1.00 0.00 C ATOM 393 CG LYS A 25 -13.584 9.618 -6.433 1.00 0.00 C ATOM 394 CD LYS A 25 -12.837 10.918 -6.214 1.00 0.00 C ATOM 395 CE LYS A 25 -11.373 10.652 -5.904 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.202 9.871 -4.645 1.00 0.00 N ATOM 0 H LYS A 25 -17.184 10.146 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.685 11.403 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.925 10.177 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.322 8.661 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.031 8.797 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.646 9.407 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.918 11.543 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.293 11.471 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.920 10.108 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.843 11.600 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.727 10.461 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.134 9.580 -4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.625 9.027 -4.836 1.00 0.00 H new ATOM 410 N GLU A 26 -16.845 8.451 -7.863 1.00 0.00 N ATOM 411 CA GLU A 26 -17.054 7.530 -8.969 1.00 0.00 C ATOM 412 C GLU A 26 -17.885 8.179 -10.071 1.00 0.00 C ATOM 413 O GLU A 26 -17.516 8.132 -11.246 1.00 0.00 O ATOM 414 CB GLU A 26 -17.733 6.262 -8.437 1.00 0.00 C ATOM 415 CG GLU A 26 -17.660 5.074 -9.377 1.00 0.00 C ATOM 416 CD GLU A 26 -18.927 4.868 -10.179 1.00 0.00 C ATOM 417 OE1 GLU A 26 -19.808 5.749 -10.157 1.00 0.00 O ATOM 418 OE2 GLU A 26 -19.042 3.814 -10.841 1.00 0.00 O ATOM 0 H GLU A 26 -17.218 8.118 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.092 7.266 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.272 5.988 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.780 6.484 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.823 5.212 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.454 4.174 -8.798 1.00 0.00 H new ATOM 425 N LYS A 27 -18.993 8.800 -9.682 1.00 0.00 N ATOM 426 CA LYS A 27 -19.874 9.463 -10.642 1.00 0.00 C ATOM 427 C LYS A 27 -19.141 10.529 -11.454 1.00 0.00 C ATOM 428 O LYS A 27 -19.352 10.655 -12.661 1.00 0.00 O ATOM 429 CB LYS A 27 -21.084 10.086 -9.943 1.00 0.00 C ATOM 430 CG LYS A 27 -22.151 9.075 -9.563 1.00 0.00 C ATOM 431 CD LYS A 27 -23.447 9.748 -9.130 1.00 0.00 C ATOM 432 CE LYS A 27 -24.038 10.597 -10.247 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.388 11.123 -9.903 1.00 0.00 N ATOM 0 H LYS A 27 -19.304 8.859 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.219 8.692 -11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.748 10.603 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.524 10.838 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.349 8.420 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.782 8.445 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.169 8.989 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.259 10.374 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.369 11.431 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.104 10.001 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.854 11.472 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.960 10.363 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.293 11.902 -9.221 1.00 0.00 H new ATOM 447 N VAL A 28 -18.272 11.282 -10.794 1.00 0.00 N ATOM 448 CA VAL A 28 -17.535 12.350 -11.450 1.00 0.00 C ATOM 449 C VAL A 28 -16.491 11.770 -12.400 1.00 0.00 C ATOM 450 O VAL A 28 -16.224 12.322 -13.466 1.00 0.00 O ATOM 451 CB VAL A 28 -16.842 13.262 -10.412 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.096 14.395 -11.091 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.856 13.821 -9.430 1.00 0.00 C ATOM 0 H VAL A 28 -18.061 11.172 -9.802 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.247 12.947 -12.019 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.120 12.655 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.619 15.020 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.336 13.984 -11.755 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.797 14.997 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.349 14.460 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.602 14.404 -9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.346 13.000 -8.907 1.00 0.00 H new ATOM 463 N MET A 29 -15.932 10.627 -12.018 1.00 0.00 N ATOM 464 CA MET A 29 -14.873 9.989 -12.790 1.00 0.00 C ATOM 465 C MET A 29 -15.391 9.398 -14.096 1.00 0.00 C ATOM 466 O MET A 29 -14.599 9.050 -14.972 1.00 0.00 O ATOM 467 CB MET A 29 -14.191 8.892 -11.964 1.00 0.00 C ATOM 468 CG MET A 29 -13.312 9.427 -10.847 1.00 0.00 C ATOM 469 SD MET A 29 -11.916 10.388 -11.465 1.00 0.00 S ATOM 470 CE MET A 29 -11.137 10.879 -9.930 1.00 0.00 C ATOM 0 H MET A 29 -16.197 10.121 -11.173 1.00 0.00 H new ATOM 0 HA MET A 29 -14.148 10.765 -13.037 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.955 8.245 -11.534 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.585 8.274 -12.627 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.912 10.050 -10.184 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.940 8.594 -10.251 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.255 11.482 -10.146 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.840 11.464 -9.336 1.00 0.00 H new ATOM 0 HE3 MET A 29 -10.841 9.991 -9.372 1.00 0.00 H new ATOM 480 N LYS A 30 -16.705 9.272 -14.236 1.00 0.00 N ATOM 481 CA LYS A 30 -17.275 8.709 -15.459 1.00 0.00 C ATOM 482 C LYS A 30 -18.198 9.687 -16.170 1.00 0.00 C ATOM 483 O LYS A 30 -18.957 9.297 -17.060 1.00 0.00 O ATOM 484 CB LYS A 30 -18.029 7.410 -15.171 1.00 0.00 C ATOM 485 CG LYS A 30 -17.163 6.163 -15.284 1.00 0.00 C ATOM 486 CD LYS A 30 -16.210 6.023 -14.110 1.00 0.00 C ATOM 487 CE LYS A 30 -16.947 5.587 -12.859 1.00 0.00 C ATOM 488 NZ LYS A 30 -17.526 4.225 -13.004 1.00 0.00 N ATOM 0 H LYS A 30 -17.389 9.547 -13.531 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.434 8.497 -16.119 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.450 7.460 -14.167 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.866 7.325 -15.864 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.802 5.282 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.592 6.201 -16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.435 5.296 -14.351 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.709 6.974 -13.928 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.263 5.602 -12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.743 6.299 -12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.732 3.834 -12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.405 4.279 -13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.846 3.609 -13.494 1.00 0.00 H new ATOM 502 N ASP A 31 -18.136 10.953 -15.792 1.00 0.00 N ATOM 503 CA ASP A 31 -18.924 11.972 -16.471 1.00 0.00 C ATOM 504 C ASP A 31 -18.189 12.484 -17.701 1.00 0.00 C ATOM 505 O ASP A 31 -16.994 12.766 -17.649 1.00 0.00 O ATOM 506 CB ASP A 31 -19.254 13.140 -15.547 1.00 0.00 C ATOM 507 CG ASP A 31 -20.117 14.168 -16.251 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.357 14.041 -16.187 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.557 15.083 -16.890 1.00 0.00 O ATOM 0 H ASP A 31 -17.556 11.299 -15.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.861 11.506 -16.777 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.772 12.772 -14.661 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.331 13.609 -15.205 1.00 0.00 H new ATOM 514 N GLN A 32 -18.923 12.613 -18.794 1.00 0.00 N ATOM 515 CA GLN A 32 -18.358 13.004 -20.084 1.00 0.00 C ATOM 516 C GLN A 32 -17.770 14.417 -20.071 1.00 0.00 C ATOM 517 O GLN A 32 -16.651 14.636 -20.543 1.00 0.00 O ATOM 518 CB GLN A 32 -19.436 12.906 -21.164 1.00 0.00 C ATOM 519 CG GLN A 32 -20.769 13.510 -20.739 1.00 0.00 C ATOM 520 CD GLN A 32 -21.769 13.603 -21.871 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.399 13.788 -23.030 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.044 13.461 -21.547 1.00 0.00 N ATOM 0 H GLN A 32 -19.930 12.450 -18.816 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.538 12.318 -20.298 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.086 13.411 -22.064 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.586 11.858 -21.424 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.194 12.908 -19.936 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.596 14.507 -20.333 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.309 13.309 -20.574 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.762 13.503 -22.270 1.00 0.00 H new ATOM 531 N ASP A 33 -18.519 15.372 -19.534 1.00 0.00 N ATOM 532 CA ASP A 33 -18.099 16.767 -19.557 1.00 0.00 C ATOM 533 C ASP A 33 -16.924 16.981 -18.622 1.00 0.00 C ATOM 534 O ASP A 33 -16.038 17.796 -18.894 1.00 0.00 O ATOM 535 CB ASP A 33 -19.251 17.700 -19.180 1.00 0.00 C ATOM 536 CG ASP A 33 -20.200 17.961 -20.335 1.00 0.00 C ATOM 537 OD1 ASP A 33 -19.931 18.882 -21.138 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.233 17.266 -20.442 1.00 0.00 O ATOM 0 H ASP A 33 -19.417 15.207 -19.079 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.790 17.006 -20.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.808 17.265 -18.350 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.844 18.648 -18.829 1.00 0.00 H new ATOM 543 N VAL A 34 -16.921 16.238 -17.524 1.00 0.00 N ATOM 544 CA VAL A 34 -15.806 16.256 -16.590 1.00 0.00 C ATOM 545 C VAL A 34 -14.506 15.850 -17.289 1.00 0.00 C ATOM 546 O VAL A 34 -13.472 16.494 -17.106 1.00 0.00 O ATOM 547 CB VAL A 34 -16.077 15.332 -15.376 1.00 0.00 C ATOM 548 CG1 VAL A 34 -14.849 15.192 -14.488 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.246 15.862 -14.563 1.00 0.00 C ATOM 0 H VAL A 34 -17.682 15.613 -17.258 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.698 17.276 -16.222 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.323 14.344 -15.764 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.080 14.537 -13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.029 14.766 -15.066 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.557 16.173 -14.113 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.426 15.204 -13.713 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.014 16.864 -14.203 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.138 15.899 -15.189 1.00 0.00 H new ATOM 559 N GLN A 35 -14.568 14.812 -18.123 1.00 0.00 N ATOM 560 CA GLN A 35 -13.388 14.339 -18.847 1.00 0.00 C ATOM 561 C GLN A 35 -12.825 15.443 -19.728 1.00 0.00 C ATOM 562 O GLN A 35 -11.626 15.721 -19.713 1.00 0.00 O ATOM 563 CB GLN A 35 -13.731 13.146 -19.738 1.00 0.00 C ATOM 564 CG GLN A 35 -14.542 12.069 -19.056 1.00 0.00 C ATOM 565 CD GLN A 35 -13.851 11.468 -17.853 1.00 0.00 C ATOM 566 OE1 GLN A 35 -12.624 11.366 -17.801 1.00 0.00 O ATOM 567 NE2 GLN A 35 -14.639 11.093 -16.867 1.00 0.00 N ATOM 0 H GLN A 35 -15.420 14.284 -18.314 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.651 14.039 -18.102 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.283 13.504 -20.607 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.805 12.707 -20.108 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.499 12.488 -18.744 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.759 11.278 -19.774 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.650 11.196 -16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.238 10.699 -16.016 1.00 0.00 H new ATOM 576 N ALA A 36 -13.711 16.067 -20.496 1.00 0.00 N ATOM 577 CA ALA A 36 -13.328 17.114 -21.435 1.00 0.00 C ATOM 578 C ALA A 36 -12.569 18.241 -20.741 1.00 0.00 C ATOM 579 O ALA A 36 -11.554 18.723 -21.247 1.00 0.00 O ATOM 580 CB ALA A 36 -14.558 17.664 -22.139 1.00 0.00 C ATOM 0 H ALA A 36 -14.710 15.863 -20.485 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.661 16.670 -22.174 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.258 18.445 -22.838 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.055 16.861 -22.684 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.244 18.080 -21.401 1.00 0.00 H new ATOM 586 N PHE A 37 -13.053 18.649 -19.580 1.00 0.00 N ATOM 587 CA PHE A 37 -12.408 19.709 -18.820 1.00 0.00 C ATOM 588 C PHE A 37 -11.101 19.222 -18.200 1.00 0.00 C ATOM 589 O PHE A 37 -10.097 19.943 -18.195 1.00 0.00 O ATOM 590 CB PHE A 37 -13.343 20.229 -17.731 1.00 0.00 C ATOM 591 CG PHE A 37 -12.715 21.272 -16.854 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.443 22.536 -17.349 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.399 20.987 -15.537 1.00 0.00 C ATOM 594 CE1 PHE A 37 -11.867 23.499 -16.545 1.00 0.00 C ATOM 595 CE2 PHE A 37 -11.825 21.946 -14.728 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.558 23.203 -15.232 1.00 0.00 C ATOM 0 H PHE A 37 -13.890 18.263 -19.142 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.178 20.523 -19.508 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.235 20.647 -18.198 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.669 19.393 -17.112 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.684 22.771 -18.375 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.604 20.004 -15.139 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.659 24.482 -16.942 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.585 21.713 -13.701 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.108 23.954 -14.600 1.00 0.00 H new ATOM 606 N LEU A 38 -11.118 17.998 -17.684 1.00 0.00 N ATOM 607 CA LEU A 38 -9.943 17.412 -17.055 1.00 0.00 C ATOM 608 C LEU A 38 -8.779 17.315 -18.028 1.00 0.00 C ATOM 609 O LEU A 38 -7.655 17.677 -17.694 1.00 0.00 O ATOM 610 CB LEU A 38 -10.262 16.029 -16.488 1.00 0.00 C ATOM 611 CG LEU A 38 -10.461 15.984 -14.973 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.206 16.472 -14.269 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.663 16.822 -14.559 1.00 0.00 C ATOM 0 H LEU A 38 -11.938 17.391 -17.690 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.652 18.072 -16.238 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.165 15.655 -16.970 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.453 15.348 -16.754 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.652 14.952 -14.680 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.357 16.437 -13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.365 15.833 -14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.994 17.497 -14.572 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.784 16.774 -13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.506 17.857 -14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.560 16.435 -15.042 1.00 0.00 H new ATOM 625 N LYS A 39 -9.058 16.845 -19.233 1.00 0.00 N ATOM 626 CA LYS A 39 -8.015 16.673 -20.237 1.00 0.00 C ATOM 627 C LYS A 39 -7.580 18.024 -20.793 1.00 0.00 C ATOM 628 O LYS A 39 -6.452 18.181 -21.258 1.00 0.00 O ATOM 629 CB LYS A 39 -8.492 15.754 -21.366 1.00 0.00 C ATOM 630 CG LYS A 39 -9.664 16.305 -22.164 1.00 0.00 C ATOM 631 CD LYS A 39 -10.163 15.299 -23.188 1.00 0.00 C ATOM 632 CE LYS A 39 -10.718 14.050 -22.520 1.00 0.00 C ATOM 633 NZ LYS A 39 -11.207 13.058 -23.513 1.00 0.00 N ATOM 0 H LYS A 39 -9.993 16.576 -19.541 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.155 16.204 -19.758 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.660 15.569 -22.045 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.777 14.792 -20.941 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.476 16.568 -21.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.362 17.222 -22.670 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.937 15.758 -23.803 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.347 15.023 -23.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.943 13.594 -21.903 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.534 14.328 -21.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.577 12.223 -23.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.964 13.484 -24.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.423 12.773 -24.134 1.00 0.00 H new ATOM 647 N GLU A 40 -8.480 18.995 -20.741 1.00 0.00 N ATOM 648 CA GLU A 40 -8.175 20.344 -21.174 1.00 0.00 C ATOM 649 C GLU A 40 -7.137 20.973 -20.253 1.00 0.00 C ATOM 650 O GLU A 40 -6.074 21.413 -20.691 1.00 0.00 O ATOM 651 CB GLU A 40 -9.446 21.187 -21.160 1.00 0.00 C ATOM 652 CG GLU A 40 -9.307 22.508 -21.885 1.00 0.00 C ATOM 653 CD GLU A 40 -9.016 22.342 -23.361 1.00 0.00 C ATOM 654 OE1 GLU A 40 -9.929 21.936 -24.108 1.00 0.00 O ATOM 655 OE2 GLU A 40 -7.880 22.639 -23.786 1.00 0.00 O ATOM 0 H GLU A 40 -9.433 18.869 -20.400 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.773 20.305 -22.186 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.255 20.616 -21.615 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.733 21.378 -20.126 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.226 23.082 -21.763 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.506 23.087 -21.425 1.00 0.00 H new ATOM 662 N ASN A 41 -7.449 20.974 -18.969 1.00 0.00 N ATOM 663 CA ASN A 41 -6.632 21.658 -17.976 1.00 0.00 C ATOM 664 C ASN A 41 -5.829 20.674 -17.143 1.00 0.00 C ATOM 665 O ASN A 41 -5.544 20.934 -15.978 1.00 0.00 O ATOM 666 CB ASN A 41 -7.515 22.510 -17.060 1.00 0.00 C ATOM 667 CG ASN A 41 -8.009 23.771 -17.740 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.353 24.812 -17.695 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.168 23.686 -18.370 1.00 0.00 N ATOM 0 H ASN A 41 -8.269 20.505 -18.585 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.933 22.302 -18.510 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.370 21.919 -16.732 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.952 22.779 -16.166 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.552 24.503 -18.844 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.678 22.803 -18.382 1.00 0.00 H new ATOM 676 N GLU A 42 -5.427 19.565 -17.752 1.00 0.00 N ATOM 677 CA GLU A 42 -4.674 18.530 -17.037 1.00 0.00 C ATOM 678 C GLU A 42 -3.337 19.068 -16.536 1.00 0.00 C ATOM 679 O GLU A 42 -2.771 18.557 -15.568 1.00 0.00 O ATOM 680 CB GLU A 42 -4.441 17.305 -17.923 1.00 0.00 C ATOM 681 CG GLU A 42 -3.688 17.608 -19.203 1.00 0.00 C ATOM 682 CD GLU A 42 -3.137 16.358 -19.855 1.00 0.00 C ATOM 683 OE1 GLU A 42 -2.063 15.886 -19.420 1.00 0.00 O ATOM 684 OE2 GLU A 42 -3.775 15.835 -20.791 1.00 0.00 O ATOM 0 H GLU A 42 -5.606 19.356 -18.734 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.273 18.230 -16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.887 16.558 -17.355 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.405 16.863 -18.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.353 18.116 -19.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.869 18.293 -18.986 1.00 0.00 H new ATOM 691 N GLU A 43 -2.841 20.107 -17.197 1.00 0.00 N ATOM 692 CA GLU A 43 -1.600 20.752 -16.800 1.00 0.00 C ATOM 693 C GLU A 43 -1.789 21.473 -15.470 1.00 0.00 C ATOM 694 O GLU A 43 -0.905 21.480 -14.615 1.00 0.00 O ATOM 695 CB GLU A 43 -1.155 21.743 -17.883 1.00 0.00 C ATOM 696 CG GLU A 43 0.130 22.489 -17.553 1.00 0.00 C ATOM 697 CD GLU A 43 1.308 21.561 -17.356 1.00 0.00 C ATOM 698 OE1 GLU A 43 1.733 20.921 -18.341 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.811 21.461 -16.220 1.00 0.00 O ATOM 0 H GLU A 43 -3.285 20.522 -18.016 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.827 19.993 -16.680 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.019 21.203 -18.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.952 22.469 -18.046 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.355 23.190 -18.357 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.019 23.078 -16.648 1.00 0.00 H new ATOM 706 N VAL A 44 -2.968 22.042 -15.290 1.00 0.00 N ATOM 707 CA VAL A 44 -3.243 22.868 -14.127 1.00 0.00 C ATOM 708 C VAL A 44 -3.881 22.044 -13.016 1.00 0.00 C ATOM 709 O VAL A 44 -3.513 22.161 -11.846 1.00 0.00 O ATOM 710 CB VAL A 44 -4.179 24.037 -14.495 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.266 25.041 -13.357 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.717 24.707 -15.781 1.00 0.00 C ATOM 0 H VAL A 44 -3.752 21.947 -15.936 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.292 23.268 -13.775 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.179 23.636 -14.662 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.932 25.856 -13.641 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.655 24.548 -12.466 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.274 25.440 -13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.390 25.529 -16.025 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.706 25.092 -15.648 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.724 23.980 -16.593 1.00 0.00 H new ATOM 722 N ILE A 45 -4.826 21.196 -13.395 1.00 0.00 N ATOM 723 CA ILE A 45 -5.571 20.398 -12.436 1.00 0.00 C ATOM 724 C ILE A 45 -4.724 19.243 -11.917 1.00 0.00 C ATOM 725 O ILE A 45 -3.924 18.660 -12.655 1.00 0.00 O ATOM 726 CB ILE A 45 -6.860 19.826 -13.060 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.726 20.947 -13.631 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.649 19.032 -12.028 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.932 20.440 -14.389 1.00 0.00 C ATOM 0 H ILE A 45 -5.095 21.043 -14.367 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.836 21.059 -11.611 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.574 19.157 -13.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.060 21.590 -12.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.120 21.563 -14.295 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.555 18.637 -12.488 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.039 18.207 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.919 19.683 -11.196 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.505 21.286 -14.769 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.603 19.821 -15.223 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.558 19.848 -13.722 1.00 0.00 H new ATOM 741 N ASP A 46 -4.904 18.920 -10.646 1.00 0.00 N ATOM 742 CA ASP A 46 -4.235 17.785 -10.037 1.00 0.00 C ATOM 743 C ASP A 46 -5.257 16.943 -9.278 1.00 0.00 C ATOM 744 O ASP A 46 -6.434 17.304 -9.212 1.00 0.00 O ATOM 745 CB ASP A 46 -3.115 18.250 -9.100 1.00 0.00 C ATOM 746 CG ASP A 46 -3.636 18.819 -7.795 1.00 0.00 C ATOM 747 OD1 ASP A 46 -4.047 19.999 -7.774 1.00 0.00 O ATOM 748 OD2 ASP A 46 -3.643 18.076 -6.796 1.00 0.00 O ATOM 0 H ASP A 46 -5.515 19.435 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.781 17.178 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.455 17.410 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.515 19.006 -9.606 1.00 0.00 H new ATOM 753 N GLN A 47 -4.809 15.827 -8.719 1.00 0.00 N ATOM 754 CA GLN A 47 -5.691 14.901 -8.010 1.00 0.00 C ATOM 755 C GLN A 47 -6.386 15.572 -6.828 1.00 0.00 C ATOM 756 O GLN A 47 -7.577 15.346 -6.583 1.00 0.00 O ATOM 757 CB GLN A 47 -4.894 13.692 -7.527 1.00 0.00 C ATOM 758 CG GLN A 47 -4.383 12.809 -8.657 1.00 0.00 C ATOM 759 CD GLN A 47 -3.499 11.678 -8.166 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.785 11.817 -7.169 1.00 0.00 O ATOM 761 NE2 GLN A 47 -3.547 10.546 -8.852 1.00 0.00 N ATOM 0 H GLN A 47 -3.831 15.537 -8.742 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.463 14.577 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.046 14.039 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.521 13.095 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.232 12.392 -9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.823 13.420 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.150 10.471 -9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.981 9.749 -8.561 1.00 0.00 H new ATOM 770 N LYS A 48 -5.654 16.408 -6.112 1.00 0.00 N ATOM 771 CA LYS A 48 -6.191 17.062 -4.932 1.00 0.00 C ATOM 772 C LYS A 48 -7.186 18.142 -5.316 1.00 0.00 C ATOM 773 O LYS A 48 -8.192 18.332 -4.633 1.00 0.00 O ATOM 774 CB LYS A 48 -5.069 17.647 -4.078 1.00 0.00 C ATOM 775 CG LYS A 48 -4.215 16.582 -3.408 1.00 0.00 C ATOM 776 CD LYS A 48 -3.245 17.183 -2.409 1.00 0.00 C ATOM 777 CE LYS A 48 -2.406 16.107 -1.733 1.00 0.00 C ATOM 778 NZ LYS A 48 -3.251 15.073 -1.072 1.00 0.00 N ATOM 0 H LYS A 48 -4.687 16.650 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.715 16.310 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.433 18.274 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.501 18.293 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.860 15.865 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.660 16.031 -4.167 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.590 17.892 -2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.798 17.743 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.763 15.631 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.753 16.569 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.854 14.845 -0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.218 15.437 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.272 14.215 -1.659 1.00 0.00 H new ATOM 792 N MET A 49 -6.908 18.842 -6.412 1.00 0.00 N ATOM 793 CA MET A 49 -7.843 19.813 -6.954 1.00 0.00 C ATOM 794 C MET A 49 -9.182 19.145 -7.235 1.00 0.00 C ATOM 795 O MET A 49 -10.238 19.742 -7.037 1.00 0.00 O ATOM 796 CB MET A 49 -7.305 20.425 -8.245 1.00 0.00 C ATOM 797 CG MET A 49 -8.136 21.591 -8.735 1.00 0.00 C ATOM 798 SD MET A 49 -7.530 22.292 -10.282 1.00 0.00 S ATOM 799 CE MET A 49 -5.928 22.904 -9.774 1.00 0.00 C ATOM 0 H MET A 49 -6.040 18.752 -6.940 1.00 0.00 H new ATOM 0 HA MET A 49 -7.974 20.605 -6.217 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.280 20.758 -8.083 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.272 19.658 -9.019 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.167 21.263 -8.871 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.147 22.368 -7.971 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.749 23.877 -10.231 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.904 23.002 -8.689 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.154 22.206 -10.092 1.00 0.00 H new ATOM 809 N ILE A 50 -9.122 17.896 -7.685 1.00 0.00 N ATOM 810 CA ILE A 50 -10.323 17.125 -7.973 1.00 0.00 C ATOM 811 C ILE A 50 -11.167 16.940 -6.718 1.00 0.00 C ATOM 812 O ILE A 50 -12.342 17.287 -6.705 1.00 0.00 O ATOM 813 CB ILE A 50 -9.976 15.743 -8.575 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.314 15.917 -9.941 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.218 14.868 -8.693 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.186 16.645 -10.941 1.00 0.00 C ATOM 0 H ILE A 50 -8.250 17.396 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.898 17.689 -8.707 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.277 15.244 -7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.380 16.465 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.057 14.936 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.944 13.903 -9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.653 14.718 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.947 15.356 -9.340 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.656 16.734 -11.889 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.109 16.086 -11.093 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.422 17.639 -10.562 1.00 0.00 H new ATOM 828 N GLU A 51 -10.565 16.407 -5.663 1.00 0.00 N ATOM 829 CA GLU A 51 -11.293 16.159 -4.422 1.00 0.00 C ATOM 830 C GLU A 51 -11.680 17.461 -3.729 1.00 0.00 C ATOM 831 O GLU A 51 -12.747 17.553 -3.121 1.00 0.00 O ATOM 832 CB GLU A 51 -10.488 15.275 -3.472 1.00 0.00 C ATOM 833 CG GLU A 51 -10.135 13.919 -4.060 1.00 0.00 C ATOM 834 CD GLU A 51 -9.776 12.896 -3.002 1.00 0.00 C ATOM 835 OE1 GLU A 51 -8.848 13.145 -2.210 1.00 0.00 O ATOM 836 OE2 GLU A 51 -10.425 11.830 -2.964 1.00 0.00 O ATOM 0 H GLU A 51 -9.581 16.139 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.208 15.632 -4.691 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.569 15.793 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.058 15.127 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.978 13.551 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.297 14.033 -4.748 1.00 0.00 H new ATOM 843 N LYS A 52 -10.825 18.470 -3.835 1.00 0.00 N ATOM 844 CA LYS A 52 -11.112 19.777 -3.253 1.00 0.00 C ATOM 845 C LYS A 52 -12.318 20.417 -3.941 1.00 0.00 C ATOM 846 O LYS A 52 -13.026 21.230 -3.348 1.00 0.00 O ATOM 847 CB LYS A 52 -9.895 20.705 -3.371 1.00 0.00 C ATOM 848 CG LYS A 52 -10.147 22.102 -2.827 1.00 0.00 C ATOM 849 CD LYS A 52 -10.329 22.091 -1.316 1.00 0.00 C ATOM 850 CE LYS A 52 -11.137 23.288 -0.839 1.00 0.00 C ATOM 851 NZ LYS A 52 -12.571 23.162 -1.214 1.00 0.00 N ATOM 0 H LYS A 52 -9.928 18.410 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.341 19.632 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.055 20.261 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.603 20.778 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.311 22.751 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.036 22.522 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.830 21.171 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.353 22.094 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.050 23.379 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.726 24.201 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.906 24.062 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.680 22.407 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.131 22.928 -0.370 1.00 0.00 H new ATOM 865 N SER A 53 -12.543 20.038 -5.188 1.00 0.00 N ATOM 866 CA SER A 53 -13.630 20.596 -5.972 1.00 0.00 C ATOM 867 C SER A 53 -14.653 19.517 -6.304 1.00 0.00 C ATOM 868 O SER A 53 -15.491 19.691 -7.189 1.00 0.00 O ATOM 869 CB SER A 53 -13.068 21.188 -7.258 1.00 0.00 C ATOM 870 OG SER A 53 -11.879 21.920 -6.995 1.00 0.00 O ATOM 0 H SER A 53 -11.983 19.342 -5.681 1.00 0.00 H new ATOM 0 HA SER A 53 -14.125 21.376 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.860 20.390 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.809 21.841 -7.718 1.00 0.00 H new ATOM 0 HG SER A 53 -11.112 21.309 -6.994 1.00 0.00 H new ATOM 876 N LEU A 54 -14.579 18.405 -5.578 1.00 0.00 N ATOM 877 CA LEU A 54 -15.475 17.278 -5.804 1.00 0.00 C ATOM 878 C LEU A 54 -16.918 17.729 -5.627 1.00 0.00 C ATOM 879 O LEU A 54 -17.801 17.349 -6.388 1.00 0.00 O ATOM 880 CB LEU A 54 -15.159 16.145 -4.821 1.00 0.00 C ATOM 881 CG LEU A 54 -15.138 14.728 -5.406 1.00 0.00 C ATOM 882 CD1 LEU A 54 -16.384 14.435 -6.212 1.00 0.00 C ATOM 883 CD2 LEU A 54 -13.901 14.502 -6.257 1.00 0.00 C ATOM 0 H LEU A 54 -13.905 18.261 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.334 16.910 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.187 16.344 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.895 16.173 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.111 14.038 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.330 13.421 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -17.261 14.528 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.459 15.144 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.915 13.488 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.890 15.217 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.009 14.638 -5.646 1.00 0.00 H new ATOM 895 N ASN A 55 -17.131 18.549 -4.609 1.00 0.00 N ATOM 896 CA ASN A 55 -18.439 19.143 -4.340 1.00 0.00 C ATOM 897 C ASN A 55 -18.969 19.902 -5.557 1.00 0.00 C ATOM 898 O ASN A 55 -20.141 19.782 -5.910 1.00 0.00 O ATOM 899 CB ASN A 55 -18.367 20.087 -3.128 1.00 0.00 C ATOM 900 CG ASN A 55 -17.404 21.252 -3.323 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.364 21.123 -3.973 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.751 22.404 -2.773 1.00 0.00 N ATOM 0 H ASN A 55 -16.406 18.823 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.128 18.328 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.363 20.479 -2.923 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.062 19.517 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.151 23.222 -2.880 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.619 22.475 -2.242 1.00 0.00 H new ATOM 909 N LYS A 56 -18.099 20.674 -6.198 1.00 0.00 N ATOM 910 CA LYS A 56 -18.475 21.445 -7.374 1.00 0.00 C ATOM 911 C LYS A 56 -18.696 20.533 -8.572 1.00 0.00 C ATOM 912 O LYS A 56 -19.708 20.635 -9.259 1.00 0.00 O ATOM 913 CB LYS A 56 -17.404 22.488 -7.700 1.00 0.00 C ATOM 914 CG LYS A 56 -17.362 23.657 -6.726 1.00 0.00 C ATOM 915 CD LYS A 56 -18.648 24.470 -6.786 1.00 0.00 C ATOM 916 CE LYS A 56 -18.588 25.696 -5.886 1.00 0.00 C ATOM 917 NZ LYS A 56 -17.585 26.691 -6.351 1.00 0.00 N ATOM 0 H LYS A 56 -17.124 20.782 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.410 21.959 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.429 22.001 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.579 22.872 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.211 23.284 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.512 24.298 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.832 24.783 -7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.488 23.842 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.571 26.165 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.344 25.386 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.605 27.522 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.637 26.264 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.811 26.983 -7.323 1.00 0.00 H new ATOM 931 N LEU A 57 -17.750 19.635 -8.809 1.00 0.00 N ATOM 932 CA LEU A 57 -17.840 18.702 -9.926 1.00 0.00 C ATOM 933 C LEU A 57 -19.105 17.856 -9.823 1.00 0.00 C ATOM 934 O LEU A 57 -19.805 17.640 -10.810 1.00 0.00 O ATOM 935 CB LEU A 57 -16.602 17.800 -9.961 1.00 0.00 C ATOM 936 CG LEU A 57 -15.270 18.530 -10.144 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.108 17.553 -10.054 1.00 0.00 C ATOM 938 CD2 LEU A 57 -15.241 19.264 -11.479 1.00 0.00 C ATOM 0 H LEU A 57 -16.909 19.532 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.886 19.277 -10.851 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.561 17.230 -9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.719 17.081 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.169 19.263 -9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.169 18.091 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.114 17.069 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.207 16.798 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.286 19.777 -11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.366 18.548 -12.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.051 19.993 -11.511 1.00 0.00 H new ATOM 950 N TYR A 58 -19.406 17.403 -8.614 1.00 0.00 N ATOM 951 CA TYR A 58 -20.577 16.571 -8.374 1.00 0.00 C ATOM 952 C TYR A 58 -21.855 17.392 -8.530 1.00 0.00 C ATOM 953 O TYR A 58 -22.847 16.919 -9.079 1.00 0.00 O ATOM 954 CB TYR A 58 -20.500 15.962 -6.974 1.00 0.00 C ATOM 955 CG TYR A 58 -21.393 14.766 -6.783 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.241 13.644 -7.580 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.378 14.753 -5.805 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.044 12.539 -7.414 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.188 13.648 -5.630 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.018 12.544 -6.438 1.00 0.00 C ATOM 961 OH TYR A 58 -23.826 11.444 -6.273 1.00 0.00 O ATOM 0 H TYR A 58 -18.852 17.599 -7.780 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.597 15.766 -9.109 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.470 15.671 -6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.766 16.724 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.479 13.636 -8.345 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.513 15.618 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -21.912 11.672 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -23.950 13.649 -4.865 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.675 11.588 -6.741 1.00 0.00 H new ATOM 971 N GLU A 59 -21.811 18.629 -8.049 1.00 0.00 N ATOM 972 CA GLU A 59 -22.930 19.555 -8.188 1.00 0.00 C ATOM 973 C GLU A 59 -23.221 19.806 -9.666 1.00 0.00 C ATOM 974 O GLU A 59 -24.378 19.866 -10.089 1.00 0.00 O ATOM 975 CB GLU A 59 -22.594 20.870 -7.479 1.00 0.00 C ATOM 976 CG GLU A 59 -23.722 21.888 -7.452 1.00 0.00 C ATOM 977 CD GLU A 59 -23.328 23.148 -6.706 1.00 0.00 C ATOM 978 OE1 GLU A 59 -23.247 23.105 -5.458 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.087 24.182 -7.360 1.00 0.00 O ATOM 0 H GLU A 59 -21.007 19.016 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.819 19.121 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.300 20.648 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.730 21.319 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.005 22.144 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.599 21.446 -6.980 1.00 0.00 H new ATOM 986 N TYR A 60 -22.150 19.930 -10.438 1.00 0.00 N ATOM 987 CA TYR A 60 -22.235 20.166 -11.871 1.00 0.00 C ATOM 988 C TYR A 60 -22.908 19.007 -12.602 1.00 0.00 C ATOM 989 O TYR A 60 -23.838 19.213 -13.376 1.00 0.00 O ATOM 990 CB TYR A 60 -20.826 20.390 -12.433 1.00 0.00 C ATOM 991 CG TYR A 60 -20.753 20.433 -13.943 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.206 21.537 -14.648 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.223 19.367 -14.661 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.135 21.580 -16.027 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.146 19.403 -16.040 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.603 20.511 -16.718 1.00 0.00 C ATOM 997 OH TYR A 60 -20.532 20.552 -18.091 1.00 0.00 O ATOM 0 H TYR A 60 -21.195 19.869 -10.086 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.849 21.053 -12.031 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.435 21.327 -12.036 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.174 19.594 -12.073 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.621 22.377 -14.111 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.865 18.496 -14.132 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.494 22.447 -16.562 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.730 18.567 -16.583 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.428 21.481 -18.386 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.443 17.791 -12.346 1.00 0.00 N ATOM 1008 CA ILE A 61 -22.883 16.631 -13.112 1.00 0.00 C ATOM 1009 C ILE A 61 -24.336 16.245 -12.817 1.00 0.00 C ATOM 1010 O ILE A 61 -25.033 15.729 -13.694 1.00 0.00 O ATOM 1011 CB ILE A 61 -21.966 15.410 -12.882 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.024 14.940 -11.426 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.535 15.756 -13.268 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.158 13.734 -11.148 1.00 0.00 C ATOM 0 H ILE A 61 -21.763 17.582 -11.615 1.00 0.00 H new ATOM 0 HA ILE A 61 -22.819 16.929 -14.158 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.320 14.594 -13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.714 15.758 -10.776 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.057 14.703 -11.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.894 14.890 -13.103 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.500 16.038 -14.320 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.185 16.588 -12.657 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.248 13.456 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.482 12.902 -11.773 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.118 13.973 -11.373 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.796 16.486 -11.591 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.156 16.114 -11.216 1.00 0.00 C ATOM 1028 C GLU A 62 -27.152 17.197 -11.601 1.00 0.00 C ATOM 1029 O GLU A 62 -28.334 16.918 -11.803 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.260 15.819 -9.720 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.309 14.735 -9.257 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.738 14.087 -7.956 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.934 14.814 -6.964 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -25.885 12.844 -7.930 1.00 0.00 O ATOM 0 H GLU A 62 -24.255 16.931 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.402 15.206 -11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -26.058 16.733 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.282 15.521 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.234 13.970 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.313 15.161 -9.133 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.680 18.433 -11.694 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.548 19.535 -12.086 1.00 0.00 C ATOM 1043 C GLN A 63 -27.817 19.463 -13.586 1.00 0.00 C ATOM 1044 O GLN A 63 -27.089 18.794 -14.322 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.931 20.888 -11.699 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.985 21.480 -12.734 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.281 22.734 -12.239 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.049 23.674 -12.997 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.890 22.738 -10.977 1.00 0.00 N ATOM 0 H GLN A 63 -25.713 18.696 -11.506 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.495 19.447 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.736 21.599 -11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.391 20.769 -10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -25.239 20.734 -13.007 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.545 21.716 -13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -25.099 21.941 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.379 23.538 -10.604 1.00 0.00 H new ATOM 1058 N SER A 64 -28.868 20.131 -14.034 1.00 0.00 N ATOM 1059 CA SER A 64 -29.264 20.083 -15.432 1.00 0.00 C ATOM 1060 C SER A 64 -28.192 20.694 -16.337 1.00 0.00 C ATOM 1061 O SER A 64 -27.830 21.859 -16.183 1.00 0.00 O ATOM 1062 CB SER A 64 -30.595 20.811 -15.604 1.00 0.00 C ATOM 1063 OG SER A 64 -30.584 22.041 -14.903 1.00 0.00 O ATOM 0 H SER A 64 -29.464 20.715 -13.447 1.00 0.00 H new ATOM 0 HA SER A 64 -29.380 19.040 -15.727 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.783 20.991 -16.662 1.00 0.00 H new ATOM 0 HB3 SER A 64 -31.408 20.185 -15.238 1.00 0.00 H new ATOM 0 HG SER A 64 -29.760 22.529 -15.111 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.680 19.888 -17.264 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.683 20.352 -18.220 1.00 0.00 C ATOM 1071 C LYS A 65 -27.360 21.247 -19.256 1.00 0.00 C ATOM 1072 O LYS A 65 -26.768 22.193 -19.774 1.00 0.00 O ATOM 1073 CB LYS A 65 -26.015 19.143 -18.895 1.00 0.00 C ATOM 1074 CG LYS A 65 -24.590 19.385 -19.390 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.531 20.375 -20.543 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.119 20.523 -21.083 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.631 19.266 -21.706 1.00 0.00 N ATOM 0 H LYS A 65 -27.941 18.908 -17.372 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.913 20.929 -17.707 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.002 18.313 -18.189 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -26.629 18.833 -19.740 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -23.981 19.756 -18.566 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -24.154 18.438 -19.707 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.194 20.043 -21.342 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -24.897 21.346 -20.208 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.094 21.327 -21.819 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -22.449 20.811 -20.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.723 19.444 -22.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.502 18.542 -20.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.326 18.931 -22.403 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.619 20.941 -19.536 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.429 21.730 -20.455 1.00 0.00 C ATOM 1093 C ASN A 66 -30.057 22.905 -19.725 1.00 0.00 C ATOM 1094 O ASN A 66 -29.654 23.253 -18.619 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.537 20.871 -21.086 1.00 0.00 C ATOM 1096 CG ASN A 66 -31.461 20.240 -20.052 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -31.039 19.883 -18.951 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -32.731 20.101 -20.395 1.00 0.00 N ATOM 0 H ASN A 66 -29.107 20.141 -19.134 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.776 22.099 -21.246 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -31.127 21.488 -21.764 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.081 20.084 -21.687 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -33.394 19.688 -19.739 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -33.047 20.407 -21.315 1.00 0.00 H new ATOM 1105 N CYS A 67 -31.041 23.523 -20.353 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.761 24.614 -19.727 1.00 0.00 C ATOM 1107 C CYS A 67 -33.119 24.753 -20.392 1.00 0.00 C ATOM 1108 O CYS A 67 -33.297 24.322 -21.532 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.974 25.925 -19.824 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.254 26.873 -21.353 1.00 0.00 S ATOM 0 H CYS A 67 -31.358 23.288 -21.293 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.893 24.393 -18.668 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.234 26.552 -18.972 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.910 25.701 -19.742 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.315 26.058 -22.364 1.00 0.00 H new ATOM 1115 N SER A 68 -34.044 25.392 -19.711 1.00 0.00 N ATOM 1116 CA SER A 68 -35.434 25.463 -20.167 1.00 0.00 C ATOM 1117 C SER A 68 -35.537 26.298 -21.442 1.00 0.00 C ATOM 1118 O SER A 68 -36.467 26.140 -22.230 1.00 0.00 O ATOM 1119 CB SER A 68 -36.333 26.048 -19.070 1.00 0.00 C ATOM 1120 OG SER A 68 -37.706 25.965 -19.420 1.00 0.00 O ATOM 0 H SER A 68 -33.867 25.877 -18.831 1.00 0.00 H new ATOM 0 HA SER A 68 -35.774 24.451 -20.388 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.162 25.514 -18.135 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.064 27.090 -18.895 1.00 0.00 H new ATOM 0 HG SER A 68 -37.970 25.024 -19.488 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.560 27.173 -21.643 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.500 28.024 -22.827 1.00 0.00 C ATOM 1128 C TYR A 69 -34.227 27.211 -24.095 1.00 0.00 C ATOM 1129 O TYR A 69 -34.271 27.739 -25.202 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.398 29.057 -22.638 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.649 30.368 -23.349 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.535 31.301 -22.826 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.002 30.673 -24.538 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.771 32.498 -23.470 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.233 31.869 -25.187 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.118 32.779 -24.648 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.347 33.973 -25.291 1.00 0.00 O ATOM 0 H TYR A 69 -33.788 27.314 -20.992 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.467 28.513 -22.947 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.277 29.252 -21.572 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.457 28.638 -22.994 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -35.048 31.086 -21.900 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.307 29.964 -24.962 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.465 33.211 -23.051 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.723 32.091 -26.113 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.806 34.014 -26.107 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.905 25.935 -23.932 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.663 25.065 -25.089 1.00 0.00 C ATOM 1149 C CYS A 70 -34.385 23.728 -24.959 1.00 0.00 C ATOM 1150 O CYS A 70 -34.264 22.866 -25.825 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.169 24.820 -25.285 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.342 24.090 -23.841 1.00 0.00 S ATOM 0 H CYS A 70 -33.805 25.478 -23.026 1.00 0.00 H new ATOM 0 HA CYS A 70 -34.061 25.585 -25.961 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -32.029 24.161 -26.142 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.685 25.766 -25.528 1.00 0.00 H new ATOM 0 HG CYS A 70 -32.138 24.139 -22.814 1.00 0.00 H new ATOM 1157 N SER A 71 -35.122 23.548 -23.881 1.00 0.00 N ATOM 1158 CA SER A 71 -35.861 22.317 -23.674 1.00 0.00 C ATOM 1159 C SER A 71 -37.342 22.624 -23.499 1.00 0.00 C ATOM 1160 O SER A 71 -37.706 23.612 -22.861 1.00 0.00 O ATOM 1161 CB SER A 71 -35.307 21.575 -22.455 1.00 0.00 C ATOM 1162 OG SER A 71 -33.912 21.339 -22.599 1.00 0.00 O ATOM 0 H SER A 71 -35.226 24.237 -23.136 1.00 0.00 H new ATOM 0 HA SER A 71 -35.746 21.675 -24.547 1.00 0.00 H new ATOM 0 HB2 SER A 71 -35.490 22.159 -21.553 1.00 0.00 H new ATOM 0 HB3 SER A 71 -35.830 20.627 -22.332 1.00 0.00 H new ATOM 0 HG SER A 71 -33.416 22.145 -22.343 1.00 0.00 H new ATOM 1168 N GLU A 72 -38.195 21.787 -24.074 1.00 0.00 N ATOM 1169 CA GLU A 72 -39.634 22.003 -24.011 1.00 0.00 C ATOM 1170 C GLU A 72 -40.188 21.510 -22.678 1.00 0.00 C ATOM 1171 O GLU A 72 -41.064 20.645 -22.616 1.00 0.00 O ATOM 1172 CB GLU A 72 -40.332 21.305 -25.173 1.00 0.00 C ATOM 1173 CG GLU A 72 -41.755 21.790 -25.400 1.00 0.00 C ATOM 1174 CD GLU A 72 -41.822 23.288 -25.628 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.614 23.727 -26.778 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -42.070 24.032 -24.654 1.00 0.00 O ATOM 0 H GLU A 72 -37.915 20.952 -24.589 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.826 23.073 -24.090 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.753 21.462 -26.083 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -40.347 20.231 -24.986 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -42.179 21.274 -26.261 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -42.368 21.528 -24.538 1.00 0.00 H new ATOM 1183 N ASP A 73 -39.638 22.064 -21.621 1.00 0.00 N ATOM 1184 CA ASP A 73 -40.061 21.772 -20.261 1.00 0.00 C ATOM 1185 C ASP A 73 -39.729 22.952 -19.371 1.00 0.00 C ATOM 1186 O ASP A 73 -38.580 23.397 -19.322 1.00 0.00 O ATOM 1187 CB ASP A 73 -39.377 20.509 -19.732 1.00 0.00 C ATOM 1188 CG ASP A 73 -39.638 20.280 -18.257 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -40.807 20.385 -17.830 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -38.675 19.974 -17.523 1.00 0.00 O ATOM 0 H ASP A 73 -38.875 22.739 -21.677 1.00 0.00 H new ATOM 0 HA ASP A 73 -41.137 21.598 -20.258 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -39.728 19.646 -20.298 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.303 20.585 -19.900 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.731 23.470 -18.685 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.549 24.653 -17.866 1.00 0.00 C ATOM 1197 C GLU A 74 -40.395 24.291 -16.396 1.00 0.00 C ATOM 1198 O GLU A 74 -40.204 25.164 -15.548 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.713 25.615 -18.072 1.00 0.00 C ATOM 1200 CG GLU A 74 -41.849 26.065 -19.517 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.876 27.153 -19.696 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -42.530 28.336 -19.500 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -44.030 26.837 -20.038 1.00 0.00 O ATOM 0 H GLU A 74 -41.678 23.091 -18.679 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.628 25.147 -18.177 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -42.638 25.133 -17.757 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.575 26.488 -17.435 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -40.883 26.421 -19.874 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.121 25.209 -20.135 1.00 0.00 H new ATOM 1210 N ASN A 75 -40.444 23.004 -16.092 1.00 0.00 N ATOM 1211 CA ASN A 75 -40.200 22.549 -14.730 1.00 0.00 C ATOM 1212 C ASN A 75 -38.701 22.311 -14.558 1.00 0.00 C ATOM 1213 O ASN A 75 -38.254 21.241 -14.136 1.00 0.00 O ATOM 1214 CB ASN A 75 -41.008 21.281 -14.428 1.00 0.00 C ATOM 1215 CG ASN A 75 -40.939 20.872 -12.965 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -40.730 21.704 -12.081 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -41.118 19.587 -12.700 1.00 0.00 N ATOM 0 H ASN A 75 -40.648 22.262 -16.761 1.00 0.00 H new ATOM 0 HA ASN A 75 -40.526 23.309 -14.020 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -42.049 21.445 -14.706 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -40.637 20.464 -15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -41.085 19.256 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -41.289 18.929 -13.460 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.938 23.339 -14.894 1.00 0.00 N ATOM 1225 CA CYS A 76 -36.488 23.259 -14.942 1.00 0.00 C ATOM 1226 C CYS A 76 -35.877 23.494 -13.562 1.00 0.00 C ATOM 1227 O CYS A 76 -36.209 24.466 -12.880 1.00 0.00 O ATOM 1228 CB CYS A 76 -35.964 24.294 -15.941 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.190 24.209 -16.260 1.00 0.00 S ATOM 0 H CYS A 76 -38.309 24.256 -15.142 1.00 0.00 H new ATOM 0 HA CYS A 76 -36.199 22.258 -15.263 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -36.495 24.168 -16.885 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -36.205 25.290 -15.570 1.00 0.00 H new ATOM 0 HG CYS A 76 -33.784 25.340 -16.756 1.00 0.00 H new ATOM 1235 N ASN A 77 -34.986 22.594 -13.161 1.00 0.00 N ATOM 1236 CA ASN A 77 -34.316 22.683 -11.865 1.00 0.00 C ATOM 1237 C ASN A 77 -33.157 23.682 -11.914 1.00 0.00 C ATOM 1238 O ASN A 77 -32.686 24.158 -10.879 1.00 0.00 O ATOM 1239 CB ASN A 77 -33.811 21.294 -11.453 1.00 0.00 C ATOM 1240 CG ASN A 77 -33.054 21.298 -10.136 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -31.832 21.441 -10.111 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.770 21.129 -9.036 1.00 0.00 N ATOM 0 H ASN A 77 -34.708 21.787 -13.719 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.031 23.040 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -34.660 20.615 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -33.162 20.904 -12.237 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -33.310 21.114 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -34.782 21.014 -9.099 1.00 0.00 H new ATOM 1249 N ASN A 78 -32.725 24.008 -13.127 1.00 0.00 N ATOM 1250 CA ASN A 78 -31.593 24.910 -13.344 1.00 0.00 C ATOM 1251 C ASN A 78 -31.831 26.273 -12.697 1.00 0.00 C ATOM 1252 O ASN A 78 -32.923 26.836 -12.790 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.348 25.085 -14.845 1.00 0.00 C ATOM 1254 CG ASN A 78 -30.209 26.031 -15.163 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -29.242 26.150 -14.408 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -30.335 26.724 -16.283 1.00 0.00 N ATOM 0 H ASN A 78 -33.146 23.657 -13.987 1.00 0.00 H new ATOM 0 HA ASN A 78 -30.715 24.464 -12.877 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.136 24.111 -15.287 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -32.260 25.456 -15.313 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -29.613 27.392 -16.554 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -31.154 26.591 -16.876 1.00 0.00 H new ATOM 1263 N LEU A 79 -30.802 26.794 -12.047 1.00 0.00 N ATOM 1264 CA LEU A 79 -30.892 28.078 -11.367 1.00 0.00 C ATOM 1265 C LEU A 79 -30.704 29.228 -12.351 1.00 0.00 C ATOM 1266 O LEU A 79 -31.559 30.105 -12.473 1.00 0.00 O ATOM 1267 CB LEU A 79 -29.837 28.164 -10.260 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.935 27.086 -9.176 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.785 27.217 -8.186 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -31.272 27.176 -8.454 1.00 0.00 C ATOM 0 H LEU A 79 -29.889 26.345 -11.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -31.885 28.160 -10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.849 28.107 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -29.912 29.142 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 79 -29.867 26.109 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -28.871 26.443 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -27.837 27.104 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -28.822 28.198 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -31.324 26.403 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -31.368 28.156 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -32.082 27.033 -9.169 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.579 29.218 -13.052 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.281 30.255 -14.028 1.00 0.00 C ATOM 1284 C LEU A 80 -29.916 29.901 -15.362 1.00 0.00 C ATOM 1285 O LEU A 80 -29.253 29.381 -16.265 1.00 0.00 O ATOM 1286 CB LEU A 80 -27.766 30.441 -14.201 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.033 31.185 -13.074 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.592 32.586 -12.901 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -27.099 30.414 -11.763 1.00 0.00 C ATOM 0 H LEU A 80 -28.858 28.502 -12.962 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.695 31.195 -13.663 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.312 29.456 -14.311 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.593 30.978 -15.133 1.00 0.00 H new ATOM 0 HG LEU A 80 -25.984 31.265 -13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.058 33.094 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.468 33.144 -13.829 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -28.651 32.527 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.571 30.969 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.141 30.283 -11.470 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.633 29.437 -11.892 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.209 30.151 -15.477 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.941 29.780 -16.668 1.00 0.00 C ATOM 1303 C GLU A 81 -31.590 30.706 -17.825 1.00 0.00 C ATOM 1304 O GLU A 81 -31.473 31.923 -17.665 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.445 29.777 -16.399 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.259 29.214 -17.550 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.627 27.973 -18.156 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.577 26.923 -17.486 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.159 28.047 -19.314 1.00 0.00 O ATOM 0 H GLU A 81 -31.770 30.609 -14.759 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.650 28.768 -16.949 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.645 29.192 -15.501 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.773 30.796 -16.196 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.262 28.972 -17.198 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.367 29.976 -18.321 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.438 30.109 -18.996 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.932 30.818 -20.147 1.00 0.00 C ATOM 1318 C GLY A 82 -29.441 30.609 -20.299 1.00 0.00 C ATOM 1319 O GLY A 82 -28.853 30.963 -21.320 1.00 0.00 O ATOM 0 H GLY A 82 -31.661 29.129 -19.169 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.445 30.474 -21.045 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.145 31.882 -20.046 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.841 29.988 -19.290 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.416 29.691 -19.294 1.00 0.00 C ATOM 1325 C TYR A 83 -27.190 28.194 -19.118 1.00 0.00 C ATOM 1326 O TYR A 83 -28.129 27.450 -18.826 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.704 30.433 -18.159 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.904 31.929 -18.154 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -26.102 32.759 -18.921 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -27.886 32.510 -17.366 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -26.272 34.128 -18.904 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -28.065 33.876 -17.346 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.257 34.681 -18.114 1.00 0.00 C ATOM 1334 OH TYR A 83 -27.431 36.044 -18.088 1.00 0.00 O ATOM 0 H TYR A 83 -29.328 29.678 -18.449 1.00 0.00 H new ATOM 0 HA TYR A 83 -27.009 30.018 -20.251 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.052 30.031 -17.207 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.636 30.224 -18.222 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -25.331 32.327 -19.542 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -28.521 31.882 -16.758 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -25.638 34.762 -19.506 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -28.837 34.313 -16.730 1.00 0.00 H new ATOM 0 HH TYR A 83 -28.168 36.268 -17.482 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.953 27.759 -19.331 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.533 26.395 -19.014 1.00 0.00 C ATOM 1346 C HIS A 84 -24.272 26.449 -18.164 1.00 0.00 C ATOM 1347 O HIS A 84 -23.464 27.374 -18.305 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.242 25.568 -20.272 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.437 25.201 -21.096 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.498 24.073 -21.886 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.580 25.884 -21.336 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.640 24.123 -22.583 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.323 25.207 -22.279 1.00 0.00 N ATOM 0 H HIS A 84 -25.213 28.339 -19.727 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.352 25.915 -18.478 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.548 26.127 -20.900 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.734 24.651 -19.973 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.798 23.332 -21.931 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.865 26.812 -20.864 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.957 23.377 -23.296 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.085 25.466 -17.279 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.925 25.411 -16.390 1.00 0.00 C ATOM 1363 C PRO A 85 -21.624 25.087 -17.129 1.00 0.00 C ATOM 1364 O PRO A 85 -21.608 24.297 -18.077 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.280 24.292 -15.413 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.240 23.422 -16.150 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.005 24.331 -17.067 1.00 0.00 C ATOM 0 HA PRO A 85 -22.739 26.373 -15.912 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.393 23.734 -15.113 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.728 24.691 -14.503 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.714 22.652 -16.714 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.911 22.910 -15.460 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.254 23.836 -18.006 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.944 24.655 -16.618 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.543 25.717 -16.695 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.230 25.469 -17.252 1.00 0.00 C ATOM 1377 C LYS A 86 -18.212 25.289 -16.136 1.00 0.00 C ATOM 1378 O LYS A 86 -18.219 26.035 -15.160 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.797 26.634 -18.138 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.467 26.398 -18.823 1.00 0.00 C ATOM 1381 CD LYS A 86 -16.780 27.702 -19.190 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.569 28.506 -20.204 1.00 0.00 C ATOM 1383 NZ LYS A 86 -17.587 27.861 -21.546 1.00 0.00 N ATOM 0 H LYS A 86 -20.555 26.412 -15.949 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.281 24.560 -17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.562 26.811 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.732 27.538 -17.533 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.818 25.818 -18.166 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.623 25.804 -19.723 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.636 28.299 -18.290 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.790 27.487 -19.592 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.592 28.630 -19.849 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.138 29.503 -20.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.254 28.539 -22.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.963 27.029 -21.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.557 27.564 -21.775 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.339 24.309 -16.286 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.280 24.089 -15.316 1.00 0.00 C ATOM 1399 C LEU A 87 -15.098 25.002 -15.612 1.00 0.00 C ATOM 1400 O LEU A 87 -14.644 25.090 -16.754 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.833 22.625 -15.334 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.923 21.614 -14.988 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.372 20.197 -15.043 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.504 21.913 -13.615 1.00 0.00 C ATOM 0 H LEU A 87 -17.342 23.654 -17.068 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.666 24.322 -14.323 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.443 22.392 -16.325 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.009 22.504 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.722 21.697 -15.725 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.163 19.489 -14.794 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.002 19.989 -16.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.556 20.096 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.280 21.184 -13.382 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.715 21.855 -12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.934 22.914 -13.612 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.617 25.693 -14.591 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.473 26.582 -14.734 1.00 0.00 C ATOM 1418 C VAL A 88 -12.463 26.332 -13.625 1.00 0.00 C ATOM 1419 O VAL A 88 -12.829 25.927 -12.526 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.889 28.070 -14.722 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.649 28.428 -15.985 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.730 28.392 -13.499 1.00 0.00 C ATOM 0 H VAL A 88 -15.003 25.655 -13.648 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.020 26.364 -15.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.978 28.667 -14.681 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.931 29.480 -15.954 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.016 28.248 -16.854 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.546 27.814 -16.056 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.009 29.446 -13.516 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.631 27.778 -13.505 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -14.155 28.184 -12.597 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.196 26.559 -13.917 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.152 26.369 -12.924 1.00 0.00 C ATOM 1434 C VAL A 89 -9.779 27.702 -12.269 1.00 0.00 C ATOM 1435 O VAL A 89 -9.344 28.642 -12.937 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.901 25.688 -13.534 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.366 26.462 -14.734 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.821 25.505 -12.480 1.00 0.00 C ATOM 0 H VAL A 89 -10.865 26.874 -14.829 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.546 25.704 -12.155 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.203 24.704 -13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.489 25.953 -15.134 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.136 26.517 -15.504 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.090 27.470 -14.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.952 25.025 -12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.533 26.478 -12.081 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.203 24.881 -11.672 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.991 27.786 -10.963 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.650 28.978 -10.200 1.00 0.00 C ATOM 1450 C ASN A 90 -8.681 28.621 -9.081 1.00 0.00 C ATOM 1451 O ASN A 90 -9.089 28.126 -8.028 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.909 29.632 -9.619 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.774 30.305 -10.673 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.275 30.810 -11.680 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -13.079 30.314 -10.450 1.00 0.00 N ATOM 0 H ASN A 90 -10.401 27.036 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.173 29.692 -10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.499 28.875 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.616 30.371 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.709 30.749 -11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.455 29.885 -9.604 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.396 28.846 -9.326 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.378 28.499 -8.353 1.00 0.00 C ATOM 1464 C GLY A 91 -6.271 26.999 -8.153 1.00 0.00 C ATOM 1465 O GLY A 91 -5.859 26.276 -9.059 1.00 0.00 O ATOM 0 H GLY A 91 -7.040 29.265 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.415 28.891 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.609 28.976 -7.401 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.655 26.530 -6.973 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.670 25.100 -6.682 1.00 0.00 C ATOM 1471 C ARG A 92 -8.096 24.608 -6.504 1.00 0.00 C ATOM 1472 O ARG A 92 -8.333 23.516 -5.989 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.837 24.784 -5.437 1.00 0.00 C ATOM 1474 CG ARG A 92 -4.343 24.849 -5.692 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.903 23.763 -6.666 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.654 24.115 -7.333 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.025 23.339 -8.214 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -2.445 22.106 -8.469 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.944 23.800 -8.826 1.00 0.00 N ATOM 0 H ARG A 92 -6.961 27.120 -6.199 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.224 24.579 -7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.096 25.487 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.096 23.788 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.082 25.828 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.805 24.736 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.778 22.822 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.682 23.604 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.234 25.017 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.264 21.736 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.949 21.528 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.603 24.739 -8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.453 23.216 -9.503 1.00 0.00 H new ATOM 1493 N SER A 93 -9.047 25.418 -6.941 1.00 0.00 N ATOM 1494 CA SER A 93 -10.448 25.052 -6.851 1.00 0.00 C ATOM 1495 C SER A 93 -11.128 25.146 -8.213 1.00 0.00 C ATOM 1496 O SER A 93 -10.990 26.140 -8.926 1.00 0.00 O ATOM 1497 CB SER A 93 -11.164 25.938 -5.826 1.00 0.00 C ATOM 1498 OG SER A 93 -10.905 27.314 -6.061 1.00 0.00 O ATOM 0 H SER A 93 -8.873 26.331 -7.361 1.00 0.00 H new ATOM 0 HA SER A 93 -10.509 24.016 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.238 25.755 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.838 25.671 -4.821 1.00 0.00 H new ATOM 0 HG SER A 93 -10.373 27.412 -6.878 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.845 24.100 -8.570 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.594 24.064 -9.810 1.00 0.00 C ATOM 1506 C ILE A 94 -14.005 24.582 -9.555 1.00 0.00 C ATOM 1507 O ILE A 94 -14.679 24.136 -8.628 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.631 22.631 -10.383 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.195 22.129 -10.593 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.418 22.591 -11.686 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.084 20.640 -10.852 1.00 0.00 C ATOM 0 H ILE A 94 -11.925 23.252 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.105 24.701 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.136 21.975 -9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.755 22.665 -11.434 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.604 22.377 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.431 21.572 -12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.440 22.923 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.947 23.249 -12.416 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.036 20.372 -10.989 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.491 20.092 -10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.644 20.384 -11.751 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.439 25.527 -10.370 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.677 26.242 -10.122 1.00 0.00 C ATOM 1525 C ASP A 95 -16.658 26.032 -11.258 1.00 0.00 C ATOM 1526 O ASP A 95 -16.343 25.380 -12.255 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.406 27.736 -9.958 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.238 28.345 -8.851 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.473 28.158 -8.857 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.661 29.007 -7.963 1.00 0.00 O ATOM 0 H ASP A 95 -13.948 25.818 -11.215 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.111 25.850 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.349 27.891 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.620 28.248 -10.896 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.838 26.607 -11.108 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.893 26.455 -12.089 1.00 0.00 C ATOM 1537 C ILE A 96 -19.429 27.814 -12.513 1.00 0.00 C ATOM 1538 O ILE A 96 -20.124 28.489 -11.748 1.00 0.00 O ATOM 1539 CB ILE A 96 -20.050 25.603 -11.532 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.516 24.271 -11.005 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -21.101 25.365 -12.607 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.534 23.485 -10.218 1.00 0.00 C ATOM 0 H ILE A 96 -18.089 27.188 -10.308 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.466 25.948 -12.954 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.517 26.144 -10.709 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.173 23.668 -11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.648 24.461 -10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.911 24.762 -12.197 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.497 26.322 -12.947 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.648 24.841 -13.449 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.087 22.552 -9.875 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.859 24.070 -9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.393 23.264 -10.852 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.084 28.217 -13.722 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.588 29.453 -14.294 1.00 0.00 C ATOM 1556 C GLU A 97 -20.772 29.147 -15.195 1.00 0.00 C ATOM 1557 O GLU A 97 -21.150 27.986 -15.360 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.491 30.167 -15.090 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.322 30.641 -14.244 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.720 31.656 -13.193 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -18.111 32.785 -13.565 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -17.617 31.341 -11.992 1.00 0.00 O ATOM 0 H GLU A 97 -18.450 27.701 -14.332 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.907 30.112 -13.486 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.118 29.492 -15.861 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.928 31.025 -15.601 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.864 29.782 -13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.565 31.079 -14.895 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.354 30.181 -15.772 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.489 30.014 -16.661 1.00 0.00 C ATOM 1571 C TYR A 98 -22.300 30.803 -17.943 1.00 0.00 C ATOM 1572 O TYR A 98 -21.950 31.982 -17.919 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.782 30.443 -15.969 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.411 29.353 -15.133 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.077 29.196 -13.796 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.340 28.478 -15.687 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.645 28.196 -13.032 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -25.916 27.476 -14.928 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.565 27.340 -13.601 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.134 26.347 -12.838 1.00 0.00 O ATOM 0 H TYR A 98 -21.059 31.148 -15.641 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.559 28.956 -16.916 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.576 31.304 -15.333 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.497 30.769 -16.724 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.361 29.867 -13.345 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.616 28.583 -16.726 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.370 28.084 -11.994 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.636 26.804 -15.371 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.664 25.502 -12.997 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.515 30.135 -19.059 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.478 30.782 -20.357 1.00 0.00 C ATOM 1592 C TYR A 99 -23.868 30.769 -20.966 1.00 0.00 C ATOM 1593 O TYR A 99 -24.663 29.866 -20.685 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.471 30.092 -21.289 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.673 28.600 -21.445 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.563 28.085 -22.380 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -20.961 27.705 -20.658 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.738 26.722 -22.522 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.128 26.345 -20.794 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.017 25.857 -21.726 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.188 24.499 -21.863 1.00 0.00 O ATOM 0 H TYR A 99 -22.719 29.136 -19.093 1.00 0.00 H new ATOM 0 HA TYR A 99 -22.152 31.814 -20.227 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.529 30.558 -22.273 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.465 30.271 -20.911 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -23.127 28.761 -23.006 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.263 28.083 -19.925 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.435 26.336 -23.252 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -20.565 25.664 -20.173 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.606 24.030 -21.229 1.00 0.00 H new ATOM 1611 N GLU A 100 -24.166 31.761 -21.789 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.489 31.878 -22.380 1.00 0.00 C ATOM 1613 C GLU A 100 -25.776 30.705 -23.305 1.00 0.00 C ATOM 1614 O GLU A 100 -24.936 30.332 -24.126 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.637 33.200 -23.135 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.633 34.418 -22.223 1.00 0.00 C ATOM 1617 CD GLU A 100 -26.110 35.675 -22.917 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -27.258 35.687 -23.408 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -25.355 36.668 -22.957 1.00 0.00 O ATOM 0 H GLU A 100 -23.512 32.495 -22.062 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.217 31.863 -21.569 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.824 33.292 -23.856 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.567 33.184 -23.704 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -26.269 34.222 -21.360 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.624 34.579 -21.844 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.953 30.109 -23.121 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.422 29.008 -23.960 1.00 0.00 C ATOM 1628 C CYS A 101 -27.169 29.304 -25.441 1.00 0.00 C ATOM 1629 O CYS A 101 -27.658 30.299 -25.972 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.922 28.793 -23.722 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.657 27.400 -24.639 1.00 0.00 S ATOM 0 H CYS A 101 -27.608 30.376 -22.386 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.872 28.106 -23.694 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -29.086 28.633 -22.656 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.452 29.706 -23.993 1.00 0.00 H new ATOM 0 HG CYS A 101 -29.386 26.286 -24.026 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.424 28.418 -26.121 1.00 0.00 N ATOM 1637 CA PRO A 102 -26.024 28.609 -27.524 1.00 0.00 C ATOM 1638 C PRO A 102 -27.203 28.721 -28.494 1.00 0.00 C ATOM 1639 O PRO A 102 -27.028 29.126 -29.641 1.00 0.00 O ATOM 1640 CB PRO A 102 -25.188 27.364 -27.844 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.524 26.374 -26.780 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.878 27.171 -25.561 1.00 0.00 C ATOM 0 HA PRO A 102 -25.486 29.549 -27.644 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.428 26.974 -28.833 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -24.123 27.595 -27.842 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.357 25.741 -27.086 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.679 25.714 -26.582 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.610 26.654 -24.940 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -25.005 27.359 -24.935 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.403 28.381 -28.030 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.594 28.478 -28.866 1.00 0.00 C ATOM 1652 C VAL A 103 -29.921 29.944 -29.167 1.00 0.00 C ATOM 1653 O VAL A 103 -30.636 30.246 -30.121 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.819 27.789 -28.211 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.420 28.650 -27.109 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -31.867 27.445 -29.262 1.00 0.00 C ATOM 0 H VAL A 103 -28.575 28.038 -27.085 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.376 27.957 -29.799 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.473 26.863 -27.752 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.276 28.136 -26.672 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.671 28.828 -26.337 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.744 29.603 -27.527 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -32.719 26.962 -28.782 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -32.199 28.358 -29.757 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -31.435 26.769 -29.999 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.374 30.852 -28.354 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.560 32.282 -28.572 1.00 0.00 C ATOM 1668 C LYS A 104 -28.866 32.721 -29.854 1.00 0.00 C ATOM 1669 O LYS A 104 -29.199 33.754 -30.435 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.014 33.100 -27.402 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.754 32.904 -26.091 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.308 33.940 -25.072 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.034 33.795 -23.747 1.00 0.00 C ATOM 1674 NZ LYS A 104 -29.795 34.968 -22.860 1.00 0.00 N ATOM 0 H LYS A 104 -28.801 30.620 -27.543 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.632 32.461 -28.655 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.965 32.842 -27.254 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -29.048 34.157 -27.668 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -30.828 32.986 -26.256 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.566 31.902 -25.706 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -28.235 33.846 -24.908 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.483 34.939 -25.472 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -31.103 33.686 -23.927 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.701 32.886 -23.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -30.130 34.751 -21.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -28.777 35.180 -22.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -30.310 35.793 -23.229 1.00 0.00 H new