USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 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= -0.0195 X(o=0.6,f=0.33) USER MOD Set 1.2: A 98 TYR OH : rot -102:sc= 0.623 USER MOD Set 2.1: A 68 SER OG : rot -92:sc= 0.935 USER MOD Set 2.2: A 76 CYS SG : rot -6:sc= 0.363 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.171 X(o=-5.2,f=-5.5!) USER MOD Set 3.2: A 67 CYS SG : rot -39:sc= -0.499 USER MOD Set 3.3: A 70 CYS SG : rot -16:sc= 1.14 USER MOD Set 3.4: A 71 SER OG : rot 95:sc= 1.21 USER MOD Set 3.5: A 84 HIS : no HE2:sc= -2.98! K(o=-5.2!,f=-3.5) USER MOD Set 3.6: A 101 CYS SG : rot 78:sc= -3.87! USER MOD Set 4.1: A 64 SER OG : rot 140:sc= 0.161 USER MOD Set 4.2: A 78 ASN : amide:sc= 1.27 K(o=1.4,f=-3.2!) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 174:sc= 0.748 (180deg=0.662) USER MOD Set 5.2: A 58 TYR OH : rot -102:sc= 0.725 USER MOD Single : A 18 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.22) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.0038) USER MOD Single : A 24 MET CE :methyl -138:sc= -1.91! (180deg=-2.81!) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= -0.211 (180deg=-1.81!) USER MOD Single : A 29 MET CE :methyl -162:sc= -0.112 (180deg=-0.608) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 1.12 (180deg=1.04) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 35 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0065) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -1.89! (180deg=-2.94!) USER MOD Single : A 41 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0.584) USER MOD Single : A 49 MET CE :methyl -165:sc=-0.00288 (180deg=-0.207) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 82:sc= 1.9 USER MOD Single : A 55 ASN : amide:sc= -0.975 K(o=-0.98,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.14) USER MOD Single : A 60 TYR OH : rot -135:sc= 1.02 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 2.29 (180deg=1.15) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc=-0.00978 K(o=-0.0098,f=-0.87) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -20.392 4.188 5.371 1.00 0.00 N ATOM 226 CA ASP A 16 -21.009 5.008 4.333 1.00 0.00 C ATOM 227 C ASP A 16 -20.075 6.137 3.915 1.00 0.00 C ATOM 228 O ASP A 16 -20.213 6.688 2.828 1.00 0.00 O ATOM 229 CB ASP A 16 -22.346 5.584 4.815 1.00 0.00 C ATOM 230 CG ASP A 16 -22.181 6.580 5.943 1.00 0.00 C ATOM 231 OD1 ASP A 16 -22.020 6.145 7.106 1.00 0.00 O ATOM 232 OD2 ASP A 16 -22.205 7.799 5.673 1.00 0.00 O ATOM 0 HA ASP A 16 -21.197 4.370 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.851 6.068 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.989 4.769 5.147 1.00 0.00 H new ATOM 237 N PHE A 17 -19.129 6.473 4.788 1.00 0.00 N ATOM 238 CA PHE A 17 -18.109 7.465 4.482 1.00 0.00 C ATOM 239 C PHE A 17 -17.390 7.116 3.183 1.00 0.00 C ATOM 240 O PHE A 17 -17.390 7.899 2.234 1.00 0.00 O ATOM 241 CB PHE A 17 -17.098 7.560 5.629 1.00 0.00 C ATOM 242 CG PHE A 17 -15.952 8.493 5.353 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.087 9.854 5.555 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.740 8.005 4.891 1.00 0.00 C ATOM 245 CE1 PHE A 17 -15.036 10.713 5.300 1.00 0.00 C ATOM 246 CE2 PHE A 17 -13.685 8.859 4.634 1.00 0.00 C ATOM 247 CZ PHE A 17 -13.834 10.214 4.840 1.00 0.00 C ATOM 0 H PHE A 17 -19.050 6.067 5.720 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.599 8.431 4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.615 7.891 6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.703 6.565 5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.025 10.250 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.619 6.944 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -15.155 11.774 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.746 8.466 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.011 10.885 4.642 1.00 0.00 H new ATOM 257 N GLN A 18 -16.782 5.938 3.138 1.00 0.00 N ATOM 258 CA GLN A 18 -16.049 5.524 1.952 1.00 0.00 C ATOM 259 C GLN A 18 -17.007 5.191 0.813 1.00 0.00 C ATOM 260 O GLN A 18 -16.674 5.380 -0.352 1.00 0.00 O ATOM 261 CB GLN A 18 -15.129 4.333 2.243 1.00 0.00 C ATOM 262 CG GLN A 18 -15.862 3.050 2.603 1.00 0.00 C ATOM 263 CD GLN A 18 -15.278 1.822 1.927 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.266 0.737 2.503 1.00 0.00 O ATOM 265 NE2 GLN A 18 -14.830 1.966 0.682 1.00 0.00 N ATOM 0 H GLN A 18 -16.782 5.260 3.900 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.422 6.362 1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.505 4.148 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.460 4.597 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.831 2.912 3.684 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.911 3.147 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.855 2.882 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.462 1.160 0.176 1.00 0.00 H new ATOM 274 N LYS A 19 -18.200 4.708 1.152 1.00 0.00 N ATOM 275 CA LYS A 19 -19.187 4.358 0.136 1.00 0.00 C ATOM 276 C LYS A 19 -19.622 5.594 -0.639 1.00 0.00 C ATOM 277 O LYS A 19 -19.684 5.570 -1.866 1.00 0.00 O ATOM 278 CB LYS A 19 -20.407 3.663 0.752 1.00 0.00 C ATOM 279 CG LYS A 19 -20.097 2.301 1.363 1.00 0.00 C ATOM 280 CD LYS A 19 -21.364 1.557 1.777 1.00 0.00 C ATOM 281 CE LYS A 19 -22.199 2.365 2.756 1.00 0.00 C ATOM 282 NZ LYS A 19 -23.365 1.600 3.265 1.00 0.00 N ATOM 0 H LYS A 19 -18.504 4.551 2.113 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.714 3.658 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.830 4.308 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.170 3.541 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.542 1.699 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.453 2.432 2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.959 1.332 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.094 0.603 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.575 2.673 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.549 3.275 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.905 2.191 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.976 1.327 2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.032 0.745 3.754 1.00 0.00 H new ATOM 296 N ARG A 20 -19.904 6.678 0.074 1.00 0.00 N ATOM 297 CA ARG A 20 -20.303 7.925 -0.569 1.00 0.00 C ATOM 298 C ARG A 20 -19.105 8.567 -1.269 1.00 0.00 C ATOM 299 O ARG A 20 -19.241 9.121 -2.358 1.00 0.00 O ATOM 300 CB ARG A 20 -20.919 8.906 0.441 1.00 0.00 C ATOM 301 CG ARG A 20 -19.929 9.487 1.439 1.00 0.00 C ATOM 302 CD ARG A 20 -20.588 10.505 2.352 1.00 0.00 C ATOM 303 NE ARG A 20 -21.543 9.891 3.273 1.00 0.00 N ATOM 304 CZ ARG A 20 -22.650 10.491 3.703 1.00 0.00 C ATOM 305 NH1 ARG A 20 -22.955 11.714 3.291 1.00 0.00 N ATOM 306 NH2 ARG A 20 -23.445 9.878 4.567 1.00 0.00 N ATOM 0 H ARG A 20 -19.864 6.720 1.092 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.065 7.689 -1.312 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.387 9.724 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.710 8.395 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.501 8.683 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -19.105 9.958 0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.821 11.027 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.100 11.254 1.747 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.349 8.946 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.339 12.201 2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.805 12.167 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.209 8.945 4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.293 10.339 4.896 1.00 0.00 H new ATOM 320 N LEU A 21 -17.932 8.463 -0.644 1.00 0.00 N ATOM 321 CA LEU A 21 -16.712 9.049 -1.190 1.00 0.00 C ATOM 322 C LEU A 21 -16.349 8.407 -2.527 1.00 0.00 C ATOM 323 O LEU A 21 -16.129 9.102 -3.520 1.00 0.00 O ATOM 324 CB LEU A 21 -15.562 8.876 -0.189 1.00 0.00 C ATOM 325 CG LEU A 21 -14.163 9.156 -0.737 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.019 10.613 -1.152 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.108 8.787 0.293 1.00 0.00 C ATOM 0 H LEU A 21 -17.803 7.977 0.243 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.884 10.112 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.740 9.537 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.586 7.855 0.192 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.016 8.539 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.014 10.784 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.750 10.844 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.190 11.256 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.117 8.992 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.260 9.377 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.189 7.727 0.534 1.00 0.00 H new ATOM 339 N GLU A 22 -16.330 7.083 -2.553 1.00 0.00 N ATOM 340 CA GLU A 22 -16.042 6.349 -3.777 1.00 0.00 C ATOM 341 C GLU A 22 -17.143 6.569 -4.802 1.00 0.00 C ATOM 342 O GLU A 22 -16.876 6.652 -5.997 1.00 0.00 O ATOM 343 CB GLU A 22 -15.899 4.853 -3.489 1.00 0.00 C ATOM 344 CG GLU A 22 -14.696 4.499 -2.629 1.00 0.00 C ATOM 345 CD GLU A 22 -13.374 4.766 -3.322 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.367 4.985 -4.552 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.329 4.731 -2.641 1.00 0.00 O ATOM 0 H GLU A 22 -16.511 6.494 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.101 6.723 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.803 4.501 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.826 4.317 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.737 5.072 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.750 3.446 -2.354 1.00 0.00 H new ATOM 354 N GLN A 23 -18.376 6.673 -4.315 1.00 0.00 N ATOM 355 CA GLN A 23 -19.541 6.864 -5.173 1.00 0.00 C ATOM 356 C GLN A 23 -19.452 8.176 -5.935 1.00 0.00 C ATOM 357 O GLN A 23 -19.466 8.195 -7.165 1.00 0.00 O ATOM 358 CB GLN A 23 -20.816 6.858 -4.334 1.00 0.00 C ATOM 359 CG GLN A 23 -22.095 6.931 -5.152 1.00 0.00 C ATOM 360 CD GLN A 23 -23.336 6.957 -4.283 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.353 7.539 -4.652 1.00 0.00 O ATOM 362 NE2 GLN A 23 -23.258 6.329 -3.121 1.00 0.00 N ATOM 0 H GLN A 23 -18.595 6.628 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.565 6.043 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.836 5.952 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.789 7.702 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.073 7.824 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.143 6.074 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.394 5.858 -2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.062 6.316 -2.493 1.00 0.00 H new ATOM 371 N MET A 24 -19.365 9.272 -5.196 1.00 0.00 N ATOM 372 CA MET A 24 -19.334 10.593 -5.805 1.00 0.00 C ATOM 373 C MET A 24 -18.116 10.748 -6.708 1.00 0.00 C ATOM 374 O MET A 24 -18.214 11.296 -7.802 1.00 0.00 O ATOM 375 CB MET A 24 -19.365 11.696 -4.743 1.00 0.00 C ATOM 376 CG MET A 24 -18.150 11.738 -3.835 1.00 0.00 C ATOM 377 SD MET A 24 -18.298 12.997 -2.550 1.00 0.00 S ATOM 378 CE MET A 24 -18.594 14.464 -3.535 1.00 0.00 C ATOM 0 H MET A 24 -19.315 9.273 -4.177 1.00 0.00 H new ATOM 0 HA MET A 24 -20.229 10.695 -6.419 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.461 12.660 -5.243 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.256 11.565 -4.129 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.013 10.762 -3.370 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.260 11.934 -4.432 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.016 15.296 -3.132 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.292 14.277 -4.565 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.655 14.713 -3.508 1.00 0.00 H new ATOM 388 N LYS A 25 -16.979 10.230 -6.259 1.00 0.00 N ATOM 389 CA LYS A 25 -15.755 10.264 -7.047 1.00 0.00 C ATOM 390 C LYS A 25 -15.947 9.480 -8.343 1.00 0.00 C ATOM 391 O LYS A 25 -15.556 9.931 -9.420 1.00 0.00 O ATOM 392 CB LYS A 25 -14.594 9.676 -6.240 1.00 0.00 C ATOM 393 CG LYS A 25 -13.248 9.737 -6.945 1.00 0.00 C ATOM 394 CD LYS A 25 -12.724 11.162 -7.043 1.00 0.00 C ATOM 395 CE LYS A 25 -11.392 11.197 -7.772 1.00 0.00 C ATOM 396 NZ LYS A 25 -10.794 12.554 -7.801 1.00 0.00 N ATOM 0 H LYS A 25 -16.880 9.780 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.521 11.300 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.519 10.209 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.821 8.636 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.528 9.121 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.343 9.315 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.448 11.785 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.608 11.581 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.699 10.509 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.532 10.843 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.518 12.791 -8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.490 13.247 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.954 12.576 -7.188 1.00 0.00 H new ATOM 410 N GLU A 26 -16.581 8.318 -8.222 1.00 0.00 N ATOM 411 CA GLU A 26 -16.838 7.443 -9.360 1.00 0.00 C ATOM 412 C GLU A 26 -17.700 8.153 -10.398 1.00 0.00 C ATOM 413 O GLU A 26 -17.404 8.131 -11.593 1.00 0.00 O ATOM 414 CB GLU A 26 -17.557 6.174 -8.893 1.00 0.00 C ATOM 415 CG GLU A 26 -17.542 5.048 -9.911 1.00 0.00 C ATOM 416 CD GLU A 26 -16.240 4.277 -9.898 1.00 0.00 C ATOM 417 OE1 GLU A 26 -15.199 4.840 -10.287 1.00 0.00 O ATOM 418 OE2 GLU A 26 -16.250 3.097 -9.493 1.00 0.00 O ATOM 0 H GLU A 26 -16.930 7.957 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.881 7.179 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.093 5.823 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.591 6.421 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.367 4.366 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.708 5.460 -10.907 1.00 0.00 H new ATOM 425 N LYS A 27 -18.761 8.794 -9.922 1.00 0.00 N ATOM 426 CA LYS A 27 -19.715 9.464 -10.797 1.00 0.00 C ATOM 427 C LYS A 27 -19.063 10.622 -11.536 1.00 0.00 C ATOM 428 O LYS A 27 -19.279 10.809 -12.734 1.00 0.00 O ATOM 429 CB LYS A 27 -20.917 9.981 -10.001 1.00 0.00 C ATOM 430 CG LYS A 27 -21.825 8.881 -9.473 1.00 0.00 C ATOM 431 CD LYS A 27 -23.139 9.437 -8.936 1.00 0.00 C ATOM 432 CE LYS A 27 -23.976 10.059 -10.046 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.300 10.536 -9.560 1.00 0.00 N ATOM 0 H LYS A 27 -18.983 8.864 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.058 8.729 -11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.556 10.575 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.501 10.648 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.032 8.167 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.311 8.335 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.705 8.638 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -22.933 10.186 -8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.430 10.895 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.126 9.326 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.790 11.041 -10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.873 9.722 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.163 11.179 -8.754 1.00 0.00 H new ATOM 447 N VAL A 28 -18.243 11.376 -10.817 1.00 0.00 N ATOM 448 CA VAL A 28 -17.630 12.578 -11.358 1.00 0.00 C ATOM 449 C VAL A 28 -16.570 12.233 -12.395 1.00 0.00 C ATOM 450 O VAL A 28 -16.535 12.817 -13.477 1.00 0.00 O ATOM 451 CB VAL A 28 -17.009 13.443 -10.236 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.226 14.613 -10.814 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.093 13.948 -9.295 1.00 0.00 C ATOM 0 H VAL A 28 -17.986 11.173 -9.851 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.418 13.154 -11.843 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.316 12.817 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.801 15.203 -10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.423 14.236 -11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.892 15.239 -11.407 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.640 14.555 -8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.808 14.552 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.608 13.099 -8.845 1.00 0.00 H new ATOM 463 N MET A 29 -15.733 11.249 -12.087 1.00 0.00 N ATOM 464 CA MET A 29 -14.645 10.876 -12.987 1.00 0.00 C ATOM 465 C MET A 29 -15.184 10.186 -14.228 1.00 0.00 C ATOM 466 O MET A 29 -14.481 10.043 -15.225 1.00 0.00 O ATOM 467 CB MET A 29 -13.641 9.956 -12.285 1.00 0.00 C ATOM 468 CG MET A 29 -13.008 10.553 -11.036 1.00 0.00 C ATOM 469 SD MET A 29 -12.061 12.055 -11.355 1.00 0.00 S ATOM 470 CE MET A 29 -10.838 11.451 -12.516 1.00 0.00 C ATOM 0 H MET A 29 -15.784 10.699 -11.230 1.00 0.00 H new ATOM 0 HA MET A 29 -14.135 11.793 -13.282 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.145 9.028 -12.014 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.851 9.696 -12.989 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.792 10.774 -10.312 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.353 9.810 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.004 12.151 -12.563 1.00 0.00 H new ATOM 0 HE2 MET A 29 -10.476 10.476 -12.189 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.289 11.358 -13.504 1.00 0.00 H new ATOM 480 N LYS A 30 -16.436 9.757 -14.168 1.00 0.00 N ATOM 481 CA LYS A 30 -17.048 9.060 -15.284 1.00 0.00 C ATOM 482 C LYS A 30 -18.126 9.903 -15.952 1.00 0.00 C ATOM 483 O LYS A 30 -18.907 9.402 -16.758 1.00 0.00 O ATOM 484 CB LYS A 30 -17.600 7.707 -14.831 1.00 0.00 C ATOM 485 CG LYS A 30 -16.623 6.558 -15.062 1.00 0.00 C ATOM 486 CD LYS A 30 -15.250 6.859 -14.477 1.00 0.00 C ATOM 487 CE LYS A 30 -15.146 6.449 -13.021 1.00 0.00 C ATOM 488 NZ LYS A 30 -14.922 4.989 -12.869 1.00 0.00 N ATOM 0 H LYS A 30 -17.045 9.880 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.276 8.881 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.848 7.758 -13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.527 7.501 -15.366 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.019 5.648 -14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.529 6.370 -16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.488 6.336 -15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.044 7.925 -14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.328 6.992 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.060 6.732 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.672 4.777 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.790 4.476 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.147 4.690 -13.494 1.00 0.00 H new ATOM 502 N ASP A 31 -18.155 11.188 -15.632 1.00 0.00 N ATOM 503 CA ASP A 31 -19.003 12.124 -16.360 1.00 0.00 C ATOM 504 C ASP A 31 -18.267 12.614 -17.595 1.00 0.00 C ATOM 505 O ASP A 31 -17.104 13.018 -17.508 1.00 0.00 O ATOM 506 CB ASP A 31 -19.396 13.316 -15.498 1.00 0.00 C ATOM 507 CG ASP A 31 -20.258 14.308 -16.261 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.479 14.069 -16.398 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.718 15.319 -16.741 1.00 0.00 O ATOM 0 H ASP A 31 -17.607 11.605 -14.880 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.916 11.601 -16.645 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.937 12.966 -14.619 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.497 13.817 -15.140 1.00 0.00 H new ATOM 514 N GLN A 32 -18.945 12.580 -18.734 1.00 0.00 N ATOM 515 CA GLN A 32 -18.326 12.912 -20.016 1.00 0.00 C ATOM 516 C GLN A 32 -17.814 14.349 -20.044 1.00 0.00 C ATOM 517 O GLN A 32 -16.742 14.621 -20.592 1.00 0.00 O ATOM 518 CB GLN A 32 -19.319 12.693 -21.157 1.00 0.00 C ATOM 519 CG GLN A 32 -19.871 11.280 -21.214 1.00 0.00 C ATOM 520 CD GLN A 32 -20.775 11.052 -22.405 1.00 0.00 C ATOM 521 OE1 GLN A 32 -20.587 11.648 -23.467 1.00 0.00 O ATOM 522 NE2 GLN A 32 -21.775 10.208 -22.230 1.00 0.00 N ATOM 0 H GLN A 32 -19.930 12.324 -18.799 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.470 12.249 -20.146 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.146 13.394 -21.048 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.830 12.922 -22.104 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.043 10.572 -21.251 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.425 11.074 -20.298 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.893 9.736 -21.333 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.429 10.028 -22.991 1.00 0.00 H new ATOM 531 N ASP A 33 -18.566 15.255 -19.434 1.00 0.00 N ATOM 532 CA ASP A 33 -18.218 16.673 -19.440 1.00 0.00 C ATOM 533 C ASP A 33 -17.008 16.906 -18.553 1.00 0.00 C ATOM 534 O ASP A 33 -16.053 17.589 -18.940 1.00 0.00 O ATOM 535 CB ASP A 33 -19.372 17.536 -18.921 1.00 0.00 C ATOM 536 CG ASP A 33 -20.702 17.292 -19.608 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.748 16.577 -20.631 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.720 17.814 -19.110 1.00 0.00 O ATOM 0 H ASP A 33 -19.423 15.034 -18.927 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.002 16.956 -20.470 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.491 17.355 -17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.104 18.586 -19.039 1.00 0.00 H new ATOM 543 N VAL A 34 -17.064 16.329 -17.358 1.00 0.00 N ATOM 544 CA VAL A 34 -16.000 16.463 -16.376 1.00 0.00 C ATOM 545 C VAL A 34 -14.651 16.033 -16.950 1.00 0.00 C ATOM 546 O VAL A 34 -13.702 16.809 -16.940 1.00 0.00 O ATOM 547 CB VAL A 34 -16.310 15.650 -15.100 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.136 15.668 -14.140 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.548 16.194 -14.411 1.00 0.00 C ATOM 0 H VAL A 34 -17.848 15.756 -17.045 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.942 17.519 -16.112 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.493 14.618 -15.400 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.384 15.088 -13.251 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.262 15.233 -14.625 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.917 16.696 -13.852 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.752 15.609 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.383 17.236 -14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.400 16.128 -15.088 1.00 0.00 H new ATOM 559 N GLN A 35 -14.570 14.810 -17.471 1.00 0.00 N ATOM 560 CA GLN A 35 -13.310 14.298 -18.016 1.00 0.00 C ATOM 561 C GLN A 35 -12.863 15.069 -19.253 1.00 0.00 C ATOM 562 O GLN A 35 -11.672 15.146 -19.543 1.00 0.00 O ATOM 563 CB GLN A 35 -13.398 12.805 -18.318 1.00 0.00 C ATOM 564 CG GLN A 35 -14.644 12.386 -19.065 1.00 0.00 C ATOM 565 CD GLN A 35 -14.907 10.905 -18.919 1.00 0.00 C ATOM 566 OE1 GLN A 35 -14.533 10.100 -19.770 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.511 10.540 -17.805 1.00 0.00 N ATOM 0 H GLN A 35 -15.353 14.159 -17.528 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.554 14.447 -17.245 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.525 12.514 -18.902 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.351 12.254 -17.379 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.500 12.947 -18.690 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.537 12.635 -20.121 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.803 11.245 -17.129 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.686 9.552 -17.620 1.00 0.00 H new ATOM 576 N ALA A 36 -13.810 15.633 -19.985 1.00 0.00 N ATOM 577 CA ALA A 36 -13.479 16.512 -21.099 1.00 0.00 C ATOM 578 C ALA A 36 -12.737 17.735 -20.585 1.00 0.00 C ATOM 579 O ALA A 36 -11.705 18.132 -21.127 1.00 0.00 O ATOM 580 CB ALA A 36 -14.735 16.924 -21.854 1.00 0.00 C ATOM 0 H ALA A 36 -14.809 15.500 -19.831 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.834 15.972 -21.793 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.464 17.580 -22.681 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.233 16.036 -22.243 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.409 17.451 -21.179 1.00 0.00 H new ATOM 586 N PHE A 37 -13.261 18.304 -19.512 1.00 0.00 N ATOM 587 CA PHE A 37 -12.635 19.436 -18.851 1.00 0.00 C ATOM 588 C PHE A 37 -11.306 19.024 -18.215 1.00 0.00 C ATOM 589 O PHE A 37 -10.320 19.761 -18.281 1.00 0.00 O ATOM 590 CB PHE A 37 -13.588 19.991 -17.793 1.00 0.00 C ATOM 591 CG PHE A 37 -12.978 21.032 -16.905 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.724 22.306 -17.378 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.675 20.734 -15.590 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.175 23.267 -16.553 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.125 21.689 -14.762 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.876 22.958 -15.243 1.00 0.00 C ATOM 0 H PHE A 37 -14.130 17.995 -19.076 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.425 20.210 -19.589 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.458 20.419 -18.292 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.947 19.168 -17.176 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.957 22.552 -18.403 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.871 19.743 -15.207 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.980 24.259 -16.933 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.889 21.444 -13.737 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.448 23.708 -14.595 1.00 0.00 H new ATOM 606 N LEU A 38 -11.292 17.841 -17.609 1.00 0.00 N ATOM 607 CA LEU A 38 -10.103 17.324 -16.943 1.00 0.00 C ATOM 608 C LEU A 38 -8.926 17.200 -17.897 1.00 0.00 C ATOM 609 O LEU A 38 -7.834 17.659 -17.592 1.00 0.00 O ATOM 610 CB LEU A 38 -10.389 15.967 -16.300 1.00 0.00 C ATOM 611 CG LEU A 38 -10.561 15.988 -14.779 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.318 16.560 -14.113 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.793 16.785 -14.384 1.00 0.00 C ATOM 0 H LEU A 38 -12.099 17.218 -17.566 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.836 18.042 -16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.294 15.556 -16.746 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.574 15.287 -16.548 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.698 14.962 -14.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.456 16.568 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.455 15.944 -14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.152 17.578 -14.465 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.894 16.785 -13.299 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.692 17.811 -14.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.678 16.332 -14.830 1.00 0.00 H new ATOM 625 N LYS A 39 -9.145 16.592 -19.056 1.00 0.00 N ATOM 626 CA LYS A 39 -8.052 16.396 -20.008 1.00 0.00 C ATOM 627 C LYS A 39 -7.676 17.709 -20.687 1.00 0.00 C ATOM 628 O LYS A 39 -6.553 17.874 -21.161 1.00 0.00 O ATOM 629 CB LYS A 39 -8.390 15.322 -21.053 1.00 0.00 C ATOM 630 CG LYS A 39 -9.692 15.541 -21.800 1.00 0.00 C ATOM 631 CD LYS A 39 -9.859 14.522 -22.918 1.00 0.00 C ATOM 632 CE LYS A 39 -11.282 14.491 -23.452 1.00 0.00 C ATOM 633 NZ LYS A 39 -12.228 13.881 -22.479 1.00 0.00 N ATOM 0 H LYS A 39 -10.050 16.231 -19.359 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.191 16.043 -19.441 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.577 15.273 -21.777 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.433 14.353 -20.555 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.530 15.466 -21.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.712 16.548 -22.216 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.172 14.759 -23.730 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.588 13.532 -22.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.605 15.506 -23.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.307 13.927 -24.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.191 14.226 -22.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.206 12.846 -22.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.949 14.144 -21.512 1.00 0.00 H new ATOM 647 N GLU A 40 -8.615 18.641 -20.729 1.00 0.00 N ATOM 648 CA GLU A 40 -8.339 19.965 -21.269 1.00 0.00 C ATOM 649 C GLU A 40 -7.399 20.730 -20.338 1.00 0.00 C ATOM 650 O GLU A 40 -6.463 21.390 -20.783 1.00 0.00 O ATOM 651 CB GLU A 40 -9.648 20.747 -21.449 1.00 0.00 C ATOM 652 CG GLU A 40 -9.793 21.425 -22.806 1.00 0.00 C ATOM 653 CD GLU A 40 -8.713 22.454 -23.083 1.00 0.00 C ATOM 654 OE1 GLU A 40 -8.829 23.598 -22.590 1.00 0.00 O ATOM 655 OE2 GLU A 40 -7.748 22.129 -23.801 1.00 0.00 O ATOM 0 H GLU A 40 -9.570 18.508 -20.398 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.858 19.852 -22.241 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.487 20.066 -21.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.715 21.505 -20.668 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.770 20.666 -23.588 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.768 21.909 -22.860 1.00 0.00 H new ATOM 662 N ASN A 41 -7.636 20.608 -19.040 1.00 0.00 N ATOM 663 CA ASN A 41 -6.897 21.378 -18.049 1.00 0.00 C ATOM 664 C ASN A 41 -6.060 20.478 -17.154 1.00 0.00 C ATOM 665 O ASN A 41 -5.772 20.826 -16.009 1.00 0.00 O ATOM 666 CB ASN A 41 -7.864 22.202 -17.198 1.00 0.00 C ATOM 667 CG ASN A 41 -8.501 23.326 -17.984 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.972 24.436 -18.037 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.638 23.049 -18.601 1.00 0.00 N ATOM 0 H ASN A 41 -8.337 19.980 -18.647 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.221 22.046 -18.582 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.643 21.550 -16.803 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.330 22.616 -16.343 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.111 23.769 -19.147 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.042 22.115 -18.531 1.00 0.00 H new ATOM 676 N GLU A 42 -5.629 19.337 -17.685 1.00 0.00 N ATOM 677 CA GLU A 42 -4.841 18.385 -16.896 1.00 0.00 C ATOM 678 C GLU A 42 -3.458 18.951 -16.597 1.00 0.00 C ATOM 679 O GLU A 42 -2.743 18.457 -15.727 1.00 0.00 O ATOM 680 CB GLU A 42 -4.719 17.034 -17.609 1.00 0.00 C ATOM 681 CG GLU A 42 -3.976 17.082 -18.931 1.00 0.00 C ATOM 682 CD GLU A 42 -3.802 15.703 -19.532 1.00 0.00 C ATOM 683 OE1 GLU A 42 -2.808 15.026 -19.202 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.672 15.280 -20.321 1.00 0.00 O ATOM 0 H GLU A 42 -5.808 19.048 -18.647 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.366 18.223 -15.954 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.211 16.333 -16.947 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.720 16.639 -17.784 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.520 17.717 -19.630 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.998 17.539 -18.781 1.00 0.00 H new ATOM 691 N GLU A 43 -3.100 20.002 -17.324 1.00 0.00 N ATOM 692 CA GLU A 43 -1.853 20.710 -17.105 1.00 0.00 C ATOM 693 C GLU A 43 -1.897 21.420 -15.755 1.00 0.00 C ATOM 694 O GLU A 43 -0.884 21.568 -15.068 1.00 0.00 O ATOM 695 CB GLU A 43 -1.646 21.736 -18.229 1.00 0.00 C ATOM 696 CG GLU A 43 -0.315 22.469 -18.173 1.00 0.00 C ATOM 697 CD GLU A 43 0.851 21.597 -18.592 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.990 21.337 -19.804 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.643 21.191 -17.714 1.00 0.00 O ATOM 0 H GLU A 43 -3.668 20.384 -18.080 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.025 20.001 -17.107 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.726 21.226 -19.189 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.452 22.468 -18.189 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.360 23.345 -18.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.147 22.831 -17.159 1.00 0.00 H new ATOM 706 N VAL A 44 -3.098 21.826 -15.370 1.00 0.00 N ATOM 707 CA VAL A 44 -3.289 22.652 -14.187 1.00 0.00 C ATOM 708 C VAL A 44 -3.885 21.849 -13.034 1.00 0.00 C ATOM 709 O VAL A 44 -3.459 21.972 -11.885 1.00 0.00 O ATOM 710 CB VAL A 44 -4.219 23.846 -14.506 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.299 24.804 -13.329 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.746 24.566 -15.759 1.00 0.00 C ATOM 0 H VAL A 44 -3.960 21.595 -15.864 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.308 23.019 -13.886 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.221 23.459 -14.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.959 25.634 -13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.691 24.279 -12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.304 25.187 -13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.411 25.404 -15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.733 24.937 -15.605 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.755 23.874 -16.601 1.00 0.00 H new ATOM 722 N ILE A 45 -4.848 21.008 -13.352 1.00 0.00 N ATOM 723 CA ILE A 45 -5.623 20.321 -12.329 1.00 0.00 C ATOM 724 C ILE A 45 -4.958 19.023 -11.894 1.00 0.00 C ATOM 725 O ILE A 45 -4.394 18.296 -12.712 1.00 0.00 O ATOM 726 CB ILE A 45 -7.044 20.018 -12.832 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.699 21.297 -13.348 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.887 19.398 -11.725 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.045 21.063 -13.981 1.00 0.00 C ATOM 0 H ILE A 45 -5.116 20.781 -14.310 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.675 20.989 -11.469 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.977 19.301 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.811 21.999 -12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.039 21.766 -14.077 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.889 19.192 -12.103 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.425 18.468 -11.394 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.951 20.090 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.455 22.012 -14.326 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.936 20.386 -14.828 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.720 20.622 -13.248 1.00 0.00 H new ATOM 741 N ASP A 46 -5.039 18.743 -10.598 1.00 0.00 N ATOM 742 CA ASP A 46 -4.505 17.511 -10.033 1.00 0.00 C ATOM 743 C ASP A 46 -5.610 16.779 -9.283 1.00 0.00 C ATOM 744 O ASP A 46 -6.734 17.283 -9.190 1.00 0.00 O ATOM 745 CB ASP A 46 -3.337 17.805 -9.085 1.00 0.00 C ATOM 746 CG ASP A 46 -3.786 18.409 -7.766 1.00 0.00 C ATOM 747 OD1 ASP A 46 -4.247 19.567 -7.760 1.00 0.00 O ATOM 748 OD2 ASP A 46 -3.672 17.725 -6.726 1.00 0.00 O ATOM 0 H ASP A 46 -5.475 19.361 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.134 16.886 -10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.793 16.881 -8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.642 18.487 -9.574 1.00 0.00 H new ATOM 753 N GLN A 47 -5.295 15.609 -8.738 1.00 0.00 N ATOM 754 CA GLN A 47 -6.286 14.806 -8.029 1.00 0.00 C ATOM 755 C GLN A 47 -6.881 15.576 -6.857 1.00 0.00 C ATOM 756 O GLN A 47 -8.095 15.617 -6.688 1.00 0.00 O ATOM 757 CB GLN A 47 -5.675 13.499 -7.523 1.00 0.00 C ATOM 758 CG GLN A 47 -5.267 12.540 -8.627 1.00 0.00 C ATOM 759 CD GLN A 47 -4.787 11.213 -8.076 1.00 0.00 C ATOM 760 OE1 GLN A 47 -5.219 10.778 -7.010 1.00 0.00 O ATOM 761 NE2 GLN A 47 -3.890 10.558 -8.793 1.00 0.00 N ATOM 0 H GLN A 47 -4.363 15.196 -8.773 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.080 14.574 -8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.800 13.730 -6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.394 13.002 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.114 12.372 -9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.476 12.992 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.555 10.951 -9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.533 9.660 -8.466 1.00 0.00 H new ATOM 770 N LYS A 48 -6.025 16.216 -6.076 1.00 0.00 N ATOM 771 CA LYS A 48 -6.462 16.881 -4.858 1.00 0.00 C ATOM 772 C LYS A 48 -7.325 18.096 -5.154 1.00 0.00 C ATOM 773 O LYS A 48 -8.261 18.391 -4.411 1.00 0.00 O ATOM 774 CB LYS A 48 -5.258 17.255 -4.007 1.00 0.00 C ATOM 775 CG LYS A 48 -4.608 16.045 -3.366 1.00 0.00 C ATOM 776 CD LYS A 48 -5.546 15.392 -2.361 1.00 0.00 C ATOM 777 CE LYS A 48 -5.215 13.927 -2.139 1.00 0.00 C ATOM 778 NZ LYS A 48 -5.466 13.112 -3.359 1.00 0.00 N ATOM 0 H LYS A 48 -5.025 16.289 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.084 16.183 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.525 17.773 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.568 17.953 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.335 15.324 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.686 16.344 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.487 15.924 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.574 15.482 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.169 13.831 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.813 13.540 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.793 12.164 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.194 13.573 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.586 13.028 -3.907 1.00 0.00 H new ATOM 792 N MET A 49 -7.011 18.803 -6.231 1.00 0.00 N ATOM 793 CA MET A 49 -7.874 19.874 -6.706 1.00 0.00 C ATOM 794 C MET A 49 -9.260 19.319 -7.038 1.00 0.00 C ATOM 795 O MET A 49 -10.272 20.007 -6.875 1.00 0.00 O ATOM 796 CB MET A 49 -7.280 20.558 -7.938 1.00 0.00 C ATOM 797 CG MET A 49 -7.981 21.853 -8.293 1.00 0.00 C ATOM 798 SD MET A 49 -7.196 22.732 -9.658 1.00 0.00 S ATOM 799 CE MET A 49 -5.718 23.347 -8.852 1.00 0.00 C ATOM 0 H MET A 49 -6.170 18.655 -6.789 1.00 0.00 H new ATOM 0 HA MET A 49 -7.960 20.616 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.224 20.760 -7.760 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.336 19.877 -8.787 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.017 21.638 -8.555 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.002 22.500 -7.416 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.263 24.122 -9.469 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.981 23.765 -7.880 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.011 22.529 -8.716 1.00 0.00 H new ATOM 809 N ILE A 50 -9.296 18.063 -7.490 1.00 0.00 N ATOM 810 CA ILE A 50 -10.554 17.388 -7.784 1.00 0.00 C ATOM 811 C ILE A 50 -11.290 17.039 -6.494 1.00 0.00 C ATOM 812 O ILE A 50 -12.484 17.271 -6.390 1.00 0.00 O ATOM 813 CB ILE A 50 -10.346 16.100 -8.615 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.719 16.427 -9.972 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.669 15.368 -8.806 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.602 17.275 -10.855 1.00 0.00 C ATOM 0 H ILE A 50 -8.465 17.496 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.151 18.082 -8.375 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.664 15.449 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.774 16.946 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.487 15.496 -10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.503 14.464 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.080 15.099 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.372 16.017 -9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.094 17.468 -11.800 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.537 16.749 -11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.813 18.221 -10.357 1.00 0.00 H new ATOM 828 N GLU A 51 -10.576 16.472 -5.522 1.00 0.00 N ATOM 829 CA GLU A 51 -11.160 16.180 -4.210 1.00 0.00 C ATOM 830 C GLU A 51 -11.702 17.451 -3.556 1.00 0.00 C ATOM 831 O GLU A 51 -12.819 17.469 -3.033 1.00 0.00 O ATOM 832 CB GLU A 51 -10.132 15.529 -3.275 1.00 0.00 C ATOM 833 CG GLU A 51 -9.986 14.026 -3.450 1.00 0.00 C ATOM 834 CD GLU A 51 -9.097 13.634 -4.607 1.00 0.00 C ATOM 835 OE1 GLU A 51 -7.861 13.582 -4.417 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.632 13.362 -5.700 1.00 0.00 O ATOM 0 H GLU A 51 -9.596 16.206 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.981 15.482 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.162 15.997 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.415 15.736 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.582 13.600 -2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.973 13.588 -3.597 1.00 0.00 H new ATOM 843 N LYS A 52 -10.902 18.508 -3.598 1.00 0.00 N ATOM 844 CA LYS A 52 -11.283 19.797 -3.031 1.00 0.00 C ATOM 845 C LYS A 52 -12.561 20.319 -3.681 1.00 0.00 C ATOM 846 O LYS A 52 -13.445 20.855 -3.010 1.00 0.00 O ATOM 847 CB LYS A 52 -10.148 20.809 -3.228 1.00 0.00 C ATOM 848 CG LYS A 52 -10.444 22.180 -2.642 1.00 0.00 C ATOM 849 CD LYS A 52 -10.454 22.147 -1.122 1.00 0.00 C ATOM 850 CE LYS A 52 -10.898 23.477 -0.540 1.00 0.00 C ATOM 851 NZ LYS A 52 -10.729 23.517 0.935 1.00 0.00 N ATOM 0 H LYS A 52 -9.975 18.498 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.468 19.663 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.240 20.417 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.948 20.915 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.695 22.893 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.410 22.531 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.122 21.357 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.457 21.903 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.322 24.283 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.944 23.653 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.043 24.441 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.299 22.764 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.727 23.375 1.174 1.00 0.00 H new ATOM 865 N SER A 53 -12.661 20.136 -4.987 1.00 0.00 N ATOM 866 CA SER A 53 -13.782 20.659 -5.750 1.00 0.00 C ATOM 867 C SER A 53 -14.763 19.547 -6.112 1.00 0.00 C ATOM 868 O SER A 53 -15.594 19.711 -7.002 1.00 0.00 O ATOM 869 CB SER A 53 -13.262 21.332 -7.023 1.00 0.00 C ATOM 870 OG SER A 53 -12.116 22.124 -6.747 1.00 0.00 O ATOM 0 H SER A 53 -11.975 19.626 -5.544 1.00 0.00 H new ATOM 0 HA SER A 53 -14.310 21.390 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.014 20.573 -7.765 1.00 0.00 H new ATOM 0 HB3 SER A 53 -14.045 21.956 -7.455 1.00 0.00 H new ATOM 0 HG SER A 53 -11.320 21.552 -6.726 1.00 0.00 H new ATOM 876 N LEU A 54 -14.670 18.420 -5.408 1.00 0.00 N ATOM 877 CA LEU A 54 -15.517 17.267 -5.685 1.00 0.00 C ATOM 878 C LEU A 54 -16.973 17.639 -5.517 1.00 0.00 C ATOM 879 O LEU A 54 -17.818 17.279 -6.331 1.00 0.00 O ATOM 880 CB LEU A 54 -15.164 16.110 -4.746 1.00 0.00 C ATOM 881 CG LEU A 54 -14.764 14.805 -5.436 1.00 0.00 C ATOM 882 CD1 LEU A 54 -14.396 13.751 -4.404 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.885 14.300 -6.327 1.00 0.00 C ATOM 0 H LEU A 54 -14.013 18.283 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.347 16.950 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.345 16.426 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.021 15.913 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.893 15.003 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.114 12.828 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.558 14.106 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.252 13.562 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.578 13.371 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.775 14.120 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.108 15.046 -7.090 1.00 0.00 H new ATOM 895 N ASN A 55 -17.246 18.371 -4.452 1.00 0.00 N ATOM 896 CA ASN A 55 -18.587 18.875 -4.179 1.00 0.00 C ATOM 897 C ASN A 55 -19.102 19.731 -5.337 1.00 0.00 C ATOM 898 O ASN A 55 -20.269 19.637 -5.711 1.00 0.00 O ATOM 899 CB ASN A 55 -18.612 19.673 -2.865 1.00 0.00 C ATOM 900 CG ASN A 55 -17.734 20.914 -2.896 1.00 0.00 C ATOM 901 OD1 ASN A 55 -18.190 21.999 -3.253 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.473 20.764 -2.519 1.00 0.00 N ATOM 0 H ASN A 55 -16.551 18.634 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.250 18.017 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.638 19.968 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.287 19.027 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -15.842 21.566 -2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.133 19.847 -2.230 1.00 0.00 H new ATOM 909 N LYS A 56 -18.225 20.550 -5.913 1.00 0.00 N ATOM 910 CA LYS A 56 -18.591 21.401 -7.040 1.00 0.00 C ATOM 911 C LYS A 56 -18.797 20.581 -8.308 1.00 0.00 C ATOM 912 O LYS A 56 -19.798 20.743 -9.003 1.00 0.00 O ATOM 913 CB LYS A 56 -17.514 22.465 -7.277 1.00 0.00 C ATOM 914 CG LYS A 56 -17.404 23.500 -6.165 1.00 0.00 C ATOM 915 CD LYS A 56 -18.339 24.685 -6.380 1.00 0.00 C ATOM 916 CE LYS A 56 -19.802 24.271 -6.400 1.00 0.00 C ATOM 917 NZ LYS A 56 -20.717 25.421 -6.624 1.00 0.00 N ATOM 0 H LYS A 56 -17.254 20.642 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.532 21.892 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.550 21.970 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.726 22.977 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.633 23.028 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.376 23.858 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.182 25.417 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.090 25.175 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.956 23.530 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -20.053 23.790 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -21.555 25.100 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -21.012 25.814 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.225 26.155 -7.173 1.00 0.00 H new ATOM 931 N LEU A 57 -17.849 19.701 -8.602 1.00 0.00 N ATOM 932 CA LEU A 57 -17.928 18.853 -9.784 1.00 0.00 C ATOM 933 C LEU A 57 -19.159 17.958 -9.720 1.00 0.00 C ATOM 934 O LEU A 57 -19.845 17.747 -10.721 1.00 0.00 O ATOM 935 CB LEU A 57 -16.663 18.003 -9.908 1.00 0.00 C ATOM 936 CG LEU A 57 -15.363 18.792 -10.083 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.170 17.852 -10.082 1.00 0.00 C ATOM 938 CD2 LEU A 57 -15.399 19.604 -11.368 1.00 0.00 C ATOM 0 H LEU A 57 -17.013 19.556 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.012 19.492 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.574 17.380 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.778 17.330 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.263 19.481 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.253 18.428 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.133 17.312 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.267 17.141 -10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.466 20.158 -11.475 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.522 18.934 -12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.234 20.303 -11.333 1.00 0.00 H new ATOM 950 N TYR A 58 -19.443 17.451 -8.528 1.00 0.00 N ATOM 951 CA TYR A 58 -20.602 16.599 -8.314 1.00 0.00 C ATOM 952 C TYR A 58 -21.887 17.406 -8.473 1.00 0.00 C ATOM 953 O TYR A 58 -22.860 16.934 -9.058 1.00 0.00 O ATOM 954 CB TYR A 58 -20.534 15.958 -6.927 1.00 0.00 C ATOM 955 CG TYR A 58 -21.480 14.798 -6.755 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.235 13.590 -7.392 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.616 14.908 -5.968 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.094 12.522 -7.250 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.484 13.845 -5.820 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.220 12.654 -6.464 1.00 0.00 C ATOM 961 OH TYR A 58 -24.092 11.596 -6.327 1.00 0.00 O ATOM 0 H TYR A 58 -18.883 17.617 -7.692 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.601 15.806 -9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.515 15.617 -6.743 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.758 16.714 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.356 13.485 -8.010 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.825 15.840 -5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -21.887 11.588 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.365 13.945 -5.203 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.878 11.745 -6.893 1.00 0.00 H new ATOM 971 N GLU A 59 -21.875 18.632 -7.963 1.00 0.00 N ATOM 972 CA GLU A 59 -23.011 19.534 -8.102 1.00 0.00 C ATOM 973 C GLU A 59 -23.306 19.789 -9.580 1.00 0.00 C ATOM 974 O GLU A 59 -24.463 19.883 -9.989 1.00 0.00 O ATOM 975 CB GLU A 59 -22.719 20.851 -7.379 1.00 0.00 C ATOM 976 CG GLU A 59 -23.866 21.849 -7.404 1.00 0.00 C ATOM 977 CD GLU A 59 -23.555 23.105 -6.614 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.892 24.010 -7.160 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.966 23.189 -5.436 1.00 0.00 O ATOM 0 H GLU A 59 -21.087 19.025 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.889 19.073 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.465 20.633 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.842 21.313 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.088 22.118 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.762 21.380 -6.997 1.00 0.00 H new ATOM 986 N TYR A 60 -22.244 19.879 -10.374 1.00 0.00 N ATOM 987 CA TYR A 60 -22.362 20.112 -11.809 1.00 0.00 C ATOM 988 C TYR A 60 -23.019 18.933 -12.526 1.00 0.00 C ATOM 989 O TYR A 60 -23.875 19.120 -13.387 1.00 0.00 O ATOM 990 CB TYR A 60 -20.978 20.375 -12.413 1.00 0.00 C ATOM 991 CG TYR A 60 -20.950 20.355 -13.928 1.00 0.00 C ATOM 992 CD1 TYR A 60 -21.340 21.464 -14.667 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.535 19.220 -14.615 1.00 0.00 C ATOM 994 CE1 TYR A 60 -21.314 21.444 -16.048 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.506 19.195 -15.995 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.897 20.309 -16.708 1.00 0.00 C ATOM 997 OH TYR A 60 -20.869 20.290 -18.083 1.00 0.00 O ATOM 0 H TYR A 60 -21.283 19.793 -10.044 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.999 20.986 -11.948 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.621 21.345 -12.066 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.281 19.626 -12.038 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.669 22.356 -14.154 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.231 18.344 -14.061 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.620 22.315 -16.608 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.178 18.307 -16.514 1.00 0.00 H new ATOM 0 HH TYR A 60 -21.259 19.451 -18.407 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.618 17.722 -12.179 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.097 16.546 -12.894 1.00 0.00 C ATOM 1009 C ILE A 61 -24.536 16.196 -12.522 1.00 0.00 C ATOM 1010 O ILE A 61 -25.272 15.638 -13.338 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.183 15.323 -12.684 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.177 14.879 -11.220 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.771 15.644 -13.147 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.329 13.651 -10.972 1.00 0.00 C ATOM 0 H ILE A 61 -21.970 17.526 -11.416 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.072 16.808 -13.952 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.575 14.499 -13.280 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.810 15.697 -10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.200 14.675 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.132 14.774 -12.995 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.785 15.903 -14.206 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.382 16.485 -12.573 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.368 13.389 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.710 12.820 -11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.297 13.858 -11.257 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.935 16.510 -11.295 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.287 16.205 -10.835 1.00 0.00 C ATOM 1028 C GLU A 62 -27.289 17.250 -11.323 1.00 0.00 C ATOM 1029 O GLU A 62 -28.478 16.957 -11.483 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.325 16.118 -9.307 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.351 15.100 -8.735 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.721 13.662 -9.059 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.867 13.327 -10.251 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -25.868 12.851 -8.118 1.00 0.00 O ATOM 0 H GLU A 62 -24.346 16.973 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.570 15.240 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -26.100 17.099 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.336 15.860 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.353 15.306 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.305 15.220 -7.653 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.809 18.470 -11.556 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.675 19.549 -12.034 1.00 0.00 C ATOM 1043 C GLN A 63 -27.899 19.434 -13.540 1.00 0.00 C ATOM 1044 O GLN A 63 -27.431 18.492 -14.179 1.00 0.00 O ATOM 1045 CB GLN A 63 -27.094 20.926 -11.689 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.813 21.270 -12.426 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.294 22.648 -12.068 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.618 23.636 -12.725 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.500 22.725 -11.014 1.00 0.00 N ATOM 0 H GLN A 63 -25.833 18.736 -11.423 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.635 19.450 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.842 21.688 -11.910 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.904 20.968 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -25.052 20.526 -12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.990 21.219 -13.500 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.256 21.881 -10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.132 23.629 -10.718 1.00 0.00 H new ATOM 1058 N SER A 64 -28.619 20.396 -14.096 1.00 0.00 N ATOM 1059 CA SER A 64 -28.972 20.377 -15.505 1.00 0.00 C ATOM 1060 C SER A 64 -27.801 20.839 -16.374 1.00 0.00 C ATOM 1061 O SER A 64 -27.267 21.924 -16.171 1.00 0.00 O ATOM 1062 CB SER A 64 -30.178 21.297 -15.736 1.00 0.00 C ATOM 1063 OG SER A 64 -31.214 21.024 -14.804 1.00 0.00 O ATOM 0 H SER A 64 -28.972 21.206 -13.587 1.00 0.00 H new ATOM 0 HA SER A 64 -29.221 19.354 -15.786 1.00 0.00 H new ATOM 0 HB2 SER A 64 -29.868 22.338 -15.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.553 21.163 -16.751 1.00 0.00 H new ATOM 0 HG SER A 64 -31.616 21.866 -14.506 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.394 20.007 -17.329 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.408 20.423 -18.324 1.00 0.00 C ATOM 1071 C LYS A 65 -27.073 21.301 -19.383 1.00 0.00 C ATOM 1072 O LYS A 65 -26.432 22.141 -20.012 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.741 19.216 -19.001 1.00 0.00 C ATOM 1074 CG LYS A 65 -24.566 18.617 -18.232 1.00 0.00 C ATOM 1075 CD LYS A 65 -25.010 17.686 -17.114 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.820 17.052 -16.404 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.945 16.284 -17.337 1.00 0.00 N ATOM 0 H LYS A 65 -27.728 19.049 -17.435 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.635 20.990 -17.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.492 18.440 -19.150 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -25.394 19.518 -19.989 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -23.926 18.069 -18.923 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -23.964 19.422 -17.811 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.610 18.242 -16.394 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -25.649 16.904 -17.524 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.233 17.831 -15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.181 16.388 -15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.367 15.610 -16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.535 15.765 -18.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.322 16.941 -17.849 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.366 21.087 -19.573 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.149 21.866 -20.526 1.00 0.00 C ATOM 1093 C ASN A 66 -29.900 22.982 -19.811 1.00 0.00 C ATOM 1094 O ASN A 66 -29.620 23.285 -18.656 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.134 20.963 -21.276 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.540 20.379 -22.541 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -28.707 21.008 -23.190 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -29.969 19.181 -22.904 1.00 0.00 N ATOM 0 H ASN A 66 -28.901 20.375 -19.076 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.465 22.312 -21.249 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.450 20.152 -20.620 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -31.026 21.536 -21.529 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.607 18.745 -23.752 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.662 18.694 -22.336 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.850 23.599 -20.501 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.655 24.649 -19.900 1.00 0.00 C ATOM 1107 C CYS A 67 -33.002 24.715 -20.597 1.00 0.00 C ATOM 1108 O CYS A 67 -33.115 24.382 -21.777 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.958 26.011 -19.977 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.356 26.979 -21.469 1.00 0.00 S ATOM 0 H CYS A 67 -31.080 23.391 -21.473 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.794 24.409 -18.846 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.230 26.594 -19.097 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.880 25.856 -19.936 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.420 26.186 -22.497 1.00 0.00 H new ATOM 1115 N SER A 68 -33.988 25.218 -19.893 1.00 0.00 N ATOM 1116 CA SER A 68 -35.378 25.173 -20.354 1.00 0.00 C ATOM 1117 C SER A 68 -35.610 26.141 -21.512 1.00 0.00 C ATOM 1118 O SER A 68 -36.569 26.004 -22.272 1.00 0.00 O ATOM 1119 CB SER A 68 -36.325 25.501 -19.197 1.00 0.00 C ATOM 1120 OG SER A 68 -36.096 24.637 -18.098 1.00 0.00 O ATOM 0 H SER A 68 -33.863 25.670 -18.987 1.00 0.00 H new ATOM 0 HA SER A 68 -35.582 24.164 -20.712 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.183 26.536 -18.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 -37.359 25.407 -19.530 1.00 0.00 H new ATOM 0 HG SER A 68 -36.689 23.860 -18.164 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.721 27.119 -21.639 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.780 28.083 -22.731 1.00 0.00 C ATOM 1128 C TYR A 69 -34.593 27.396 -24.085 1.00 0.00 C ATOM 1129 O TYR A 69 -34.971 27.933 -25.123 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.692 29.137 -22.533 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.982 30.453 -23.214 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -33.637 30.666 -24.539 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -34.602 31.483 -22.522 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.904 31.868 -25.161 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -34.871 32.690 -23.135 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.520 32.878 -24.456 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.788 34.078 -25.077 1.00 0.00 O ATOM 0 H TYR A 69 -33.945 27.266 -20.994 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.762 28.555 -22.724 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.561 29.313 -21.465 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.747 28.745 -22.910 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -33.151 29.878 -25.094 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -34.878 31.338 -21.488 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -33.631 32.016 -26.195 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -35.354 33.483 -22.583 1.00 0.00 H new ATOM 0 HH TYR A 69 -35.226 34.684 -24.443 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.999 26.212 -24.072 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.757 25.479 -25.314 1.00 0.00 C ATOM 1149 C CYS A 70 -34.545 24.179 -25.357 1.00 0.00 C ATOM 1150 O CYS A 70 -35.301 23.936 -26.298 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.266 25.191 -25.516 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.443 24.347 -24.128 1.00 0.00 S ATOM 0 H CYS A 70 -33.677 25.739 -23.227 1.00 0.00 H new ATOM 0 HA CYS A 70 -34.099 26.118 -26.128 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -32.148 24.581 -26.412 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.752 26.134 -25.703 1.00 0.00 H new ATOM 0 HG CYS A 70 -32.187 24.432 -23.065 1.00 0.00 H new ATOM 1157 N SER A 71 -34.372 23.359 -24.337 1.00 0.00 N ATOM 1158 CA SER A 71 -34.979 22.048 -24.309 1.00 0.00 C ATOM 1159 C SER A 71 -36.341 22.091 -23.628 1.00 0.00 C ATOM 1160 O SER A 71 -36.797 23.146 -23.187 1.00 0.00 O ATOM 1161 CB SER A 71 -34.041 21.074 -23.598 1.00 0.00 C ATOM 1162 OG SER A 71 -33.052 21.772 -22.858 1.00 0.00 O ATOM 0 H SER A 71 -33.812 23.583 -23.514 1.00 0.00 H new ATOM 0 HA SER A 71 -35.139 21.707 -25.332 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.615 20.432 -22.930 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.562 20.424 -24.330 1.00 0.00 H new ATOM 0 HG SER A 71 -33.344 21.864 -21.927 1.00 0.00 H new ATOM 1168 N GLU A 72 -36.970 20.936 -23.537 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.299 20.814 -22.962 1.00 0.00 C ATOM 1170 C GLU A 72 -38.213 20.466 -21.486 1.00 0.00 C ATOM 1171 O GLU A 72 -39.145 19.903 -20.906 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.110 19.751 -23.710 1.00 0.00 C ATOM 1173 CG GLU A 72 -38.422 18.394 -23.829 1.00 0.00 C ATOM 1174 CD GLU A 72 -37.252 18.399 -24.793 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -37.481 18.358 -26.018 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -36.094 18.463 -24.330 1.00 0.00 O ATOM 0 H GLU A 72 -36.575 20.053 -23.860 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.805 21.774 -23.063 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.064 19.616 -23.201 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.332 20.120 -24.711 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -38.072 18.084 -22.844 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.151 17.652 -24.156 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.091 20.827 -20.887 1.00 0.00 N ATOM 1184 CA ASP A 73 -36.847 20.565 -19.479 1.00 0.00 C ATOM 1185 C ASP A 73 -37.895 21.259 -18.623 1.00 0.00 C ATOM 1186 O ASP A 73 -37.905 22.488 -18.508 1.00 0.00 O ATOM 1187 CB ASP A 73 -35.452 21.045 -19.063 1.00 0.00 C ATOM 1188 CG ASP A 73 -34.340 20.438 -19.896 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -34.312 19.200 -20.052 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -33.498 21.204 -20.409 1.00 0.00 O ATOM 0 H ASP A 73 -36.326 21.308 -21.361 1.00 0.00 H new ATOM 0 HA ASP A 73 -36.907 19.487 -19.326 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -35.408 22.131 -19.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -35.288 20.799 -18.014 1.00 0.00 H new ATOM 1195 N GLU A 74 -38.785 20.471 -18.035 1.00 0.00 N ATOM 1196 CA GLU A 74 -39.828 21.005 -17.170 1.00 0.00 C ATOM 1197 C GLU A 74 -39.218 21.532 -15.874 1.00 0.00 C ATOM 1198 O GLU A 74 -39.854 22.277 -15.128 1.00 0.00 O ATOM 1199 CB GLU A 74 -40.876 19.930 -16.872 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.116 20.449 -16.153 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.893 21.463 -16.972 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -43.321 21.124 -18.096 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.107 22.596 -16.485 1.00 0.00 O ATOM 0 H GLU A 74 -38.805 19.457 -18.142 1.00 0.00 H new ATOM 0 HA GLU A 74 -40.320 21.831 -17.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.181 19.466 -17.810 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -40.417 19.150 -16.265 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.767 19.609 -15.911 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -41.818 20.904 -15.208 1.00 0.00 H new ATOM 1210 N ASN A 75 -37.971 21.145 -15.617 1.00 0.00 N ATOM 1211 CA ASN A 75 -37.228 21.656 -14.474 1.00 0.00 C ATOM 1212 C ASN A 75 -36.804 23.096 -14.734 1.00 0.00 C ATOM 1213 O ASN A 75 -35.624 23.394 -14.896 1.00 0.00 O ATOM 1214 CB ASN A 75 -35.996 20.790 -14.180 1.00 0.00 C ATOM 1215 CG ASN A 75 -36.356 19.368 -13.792 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -36.442 18.481 -14.643 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -36.577 19.140 -12.507 1.00 0.00 N ATOM 0 H ASN A 75 -37.454 20.477 -16.189 1.00 0.00 H new ATOM 0 HA ASN A 75 -37.880 21.622 -13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -35.353 20.770 -15.060 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -35.420 21.247 -13.375 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -36.828 18.203 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -36.496 19.901 -11.833 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.785 23.983 -14.777 1.00 0.00 N ATOM 1225 CA CYS A 76 -37.549 25.388 -15.075 1.00 0.00 C ATOM 1226 C CYS A 76 -37.165 26.152 -13.813 1.00 0.00 C ATOM 1227 O CYS A 76 -37.211 27.380 -13.775 1.00 0.00 O ATOM 1228 CB CYS A 76 -38.800 25.996 -15.707 1.00 0.00 C ATOM 1229 SG CYS A 76 -39.418 25.068 -17.130 1.00 0.00 S ATOM 0 H CYS A 76 -38.764 23.752 -14.607 1.00 0.00 H new ATOM 0 HA CYS A 76 -36.720 25.463 -15.779 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -39.585 26.055 -14.953 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -38.580 27.017 -16.018 1.00 0.00 H new ATOM 0 HG CYS A 76 -38.584 24.115 -17.422 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.765 25.414 -12.787 1.00 0.00 N ATOM 1236 CA ASN A 77 -36.342 26.015 -11.532 1.00 0.00 C ATOM 1237 C ASN A 77 -34.838 26.244 -11.539 1.00 0.00 C ATOM 1238 O ASN A 77 -34.233 26.514 -10.500 1.00 0.00 O ATOM 1239 CB ASN A 77 -36.749 25.141 -10.342 1.00 0.00 C ATOM 1240 CG ASN A 77 -38.255 25.091 -10.157 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -38.838 25.945 -9.491 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -38.892 24.080 -10.727 1.00 0.00 N ATOM 0 H ASN A 77 -36.725 24.395 -12.800 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.841 26.978 -11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -36.369 24.130 -10.489 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.286 25.527 -9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -39.902 23.989 -10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -38.372 23.392 -11.272 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.240 26.124 -12.721 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.837 26.460 -12.909 1.00 0.00 C ATOM 1251 C ASN A 78 -32.639 27.940 -12.611 1.00 0.00 C ATOM 1252 O ASN A 78 -33.136 28.797 -13.340 1.00 0.00 O ATOM 1253 CB ASN A 78 -32.380 26.162 -14.345 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.550 24.708 -14.744 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -32.435 23.800 -13.920 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -32.825 24.481 -16.018 1.00 0.00 N ATOM 0 H ASN A 78 -34.710 25.795 -13.564 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.240 25.851 -12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -32.945 26.789 -15.035 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.331 26.439 -14.449 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -32.950 23.525 -16.350 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -32.912 25.262 -16.668 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.956 28.231 -11.513 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.729 29.610 -11.099 1.00 0.00 C ATOM 1265 C LEU A 79 -31.044 30.412 -12.206 1.00 0.00 C ATOM 1266 O LEU A 79 -31.502 31.494 -12.570 1.00 0.00 O ATOM 1267 CB LEU A 79 -30.934 29.681 -9.783 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.495 29.149 -9.799 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.782 29.580 -8.531 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.456 27.632 -9.921 1.00 0.00 C ATOM 0 H LEU A 79 -31.549 27.531 -10.892 1.00 0.00 H new ATOM 0 HA LEU A 79 -32.703 30.062 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -30.905 30.722 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -31.489 29.130 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 79 -28.991 29.565 -10.671 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -27.760 29.202 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -28.766 30.668 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -29.307 29.179 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -28.420 27.294 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -29.977 27.185 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -29.943 27.329 -10.848 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.950 29.887 -12.738 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.296 30.495 -13.892 1.00 0.00 C ATOM 1284 C LEU A 80 -29.888 29.968 -15.197 1.00 0.00 C ATOM 1285 O LEU A 80 -29.191 29.329 -15.987 1.00 0.00 O ATOM 1286 CB LEU A 80 -27.781 30.255 -13.866 1.00 0.00 C ATOM 1287 CG LEU A 80 -26.955 31.227 -13.010 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.246 32.666 -13.402 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -27.214 31.015 -11.529 1.00 0.00 C ATOM 0 H LEU A 80 -29.495 29.042 -12.391 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.473 31.569 -13.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.601 29.242 -13.505 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.409 30.299 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 80 -25.901 31.022 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.651 33.339 -12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -26.991 32.816 -14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -28.305 32.877 -13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.615 31.718 -10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.271 31.179 -11.317 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.943 29.996 -11.255 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.175 30.213 -15.418 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.813 29.791 -16.658 1.00 0.00 C ATOM 1303 C GLU A 81 -31.350 30.670 -17.810 1.00 0.00 C ATOM 1304 O GLU A 81 -30.870 31.784 -17.603 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.339 29.838 -16.556 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.007 28.485 -16.764 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.459 27.725 -17.963 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.487 28.261 -19.096 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.002 26.579 -17.780 1.00 0.00 O ATOM 0 H GLU A 81 -31.790 30.696 -14.763 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.520 28.758 -16.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.617 30.224 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.723 30.541 -17.296 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.875 27.880 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -35.079 28.632 -16.894 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.507 30.165 -19.020 1.00 0.00 N ATOM 1317 CA GLY A 82 -31.002 30.854 -20.188 1.00 0.00 C ATOM 1318 C GLY A 82 -29.514 30.633 -20.380 1.00 0.00 C ATOM 1319 O GLY A 82 -28.958 30.987 -21.418 1.00 0.00 O ATOM 0 H GLY A 82 -31.979 29.283 -19.217 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.537 30.508 -21.072 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.201 31.922 -20.093 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.876 30.018 -19.391 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.454 29.719 -19.459 1.00 0.00 C ATOM 1325 C TYR A 83 -27.235 28.221 -19.297 1.00 0.00 C ATOM 1326 O TYR A 83 -28.178 27.477 -19.026 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.681 30.446 -18.353 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.995 31.918 -18.212 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -26.440 32.860 -19.068 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -27.838 32.363 -17.205 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -26.723 34.206 -18.925 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -28.123 33.703 -17.055 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.565 34.620 -17.915 1.00 0.00 C ATOM 1334 OH TYR A 83 -27.847 35.956 -17.754 1.00 0.00 O ATOM 0 H TYR A 83 -29.327 29.716 -18.527 1.00 0.00 H new ATOM 0 HA TYR A 83 -27.089 30.056 -20.429 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -26.888 29.954 -17.403 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.614 30.335 -18.544 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -25.777 32.537 -19.857 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -28.279 31.647 -16.527 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -26.287 34.928 -19.600 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -28.782 34.032 -16.265 1.00 0.00 H new ATOM 0 HH TYR A 83 -28.457 36.072 -16.996 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.998 27.781 -19.490 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.607 26.405 -19.196 1.00 0.00 C ATOM 1346 C HIS A 84 -24.348 26.419 -18.338 1.00 0.00 C ATOM 1347 O HIS A 84 -23.488 27.290 -18.509 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.333 25.599 -20.474 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.542 25.284 -21.309 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.646 24.162 -22.110 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.666 26.004 -21.539 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.795 24.254 -22.795 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.438 25.357 -22.480 1.00 0.00 N ATOM 0 H HIS A 84 -25.241 28.362 -19.852 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.433 25.927 -18.669 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.623 26.153 -21.088 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.850 24.662 -20.196 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.970 23.401 -22.169 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.918 26.939 -21.060 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -28.145 23.522 -23.508 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.225 25.473 -17.401 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.060 25.387 -16.522 1.00 0.00 C ATOM 1363 C PRO A 85 -21.834 24.832 -17.238 1.00 0.00 C ATOM 1364 O PRO A 85 -21.925 23.860 -17.986 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.520 24.431 -15.425 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.537 23.562 -16.081 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.214 24.416 -17.119 1.00 0.00 C ATOM 0 HA PRO A 85 -22.751 26.365 -16.152 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.688 23.843 -15.038 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.947 24.973 -14.581 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.068 22.692 -16.539 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.258 23.189 -15.353 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.454 23.843 -18.015 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.150 24.832 -16.747 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.693 25.460 -17.020 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.449 24.983 -17.588 1.00 0.00 C ATOM 1377 C LYS A 86 -18.346 25.048 -16.541 1.00 0.00 C ATOM 1378 O LYS A 86 -18.204 26.048 -15.834 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.078 25.805 -18.826 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.908 25.233 -19.610 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.651 26.014 -20.890 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.078 27.395 -20.611 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.748 28.117 -21.867 1.00 0.00 N ATOM 0 H LYS A 86 -20.604 26.303 -16.452 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.572 23.945 -17.898 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.946 25.870 -19.482 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.835 26.822 -18.517 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.012 25.248 -18.989 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.109 24.190 -19.855 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.960 25.456 -21.522 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.583 26.114 -21.447 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.797 27.977 -20.034 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.181 27.300 -19.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.360 29.054 -21.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.044 27.573 -22.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.609 28.230 -22.439 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.585 23.971 -16.437 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.537 23.861 -15.433 1.00 0.00 C ATOM 1399 C LEU A 87 -15.362 24.772 -15.762 1.00 0.00 C ATOM 1400 O LEU A 87 -14.956 24.886 -16.918 1.00 0.00 O ATOM 1401 CB LEU A 87 -16.058 22.412 -15.335 1.00 0.00 C ATOM 1402 CG LEU A 87 -17.125 21.405 -14.913 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.570 19.990 -14.949 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.645 21.741 -13.525 1.00 0.00 C ATOM 0 H LEU A 87 -17.674 23.154 -17.041 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.952 24.173 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.659 22.111 -16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.234 22.365 -14.623 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.955 21.462 -15.618 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.346 19.287 -14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.242 19.753 -15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.724 19.914 -14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.405 21.015 -13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.822 21.709 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -18.081 22.740 -13.532 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.832 25.422 -14.738 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.665 26.282 -14.884 1.00 0.00 C ATOM 1418 C VAL A 88 -12.672 25.997 -13.769 1.00 0.00 C ATOM 1419 O VAL A 88 -13.060 25.590 -12.679 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.041 27.783 -14.847 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.019 28.126 -15.955 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.623 28.166 -13.495 1.00 0.00 C ATOM 0 H VAL A 88 -15.195 25.370 -13.786 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.222 26.064 -15.856 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.127 28.356 -15.004 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.267 29.186 -15.906 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.567 27.903 -16.921 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.927 27.535 -15.834 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.879 29.226 -13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.520 27.577 -13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.888 27.971 -12.714 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.397 26.183 -14.044 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.381 26.045 -13.015 1.00 0.00 C ATOM 1434 C VAL A 89 -9.908 27.423 -12.561 1.00 0.00 C ATOM 1435 O VAL A 89 -9.391 28.209 -13.352 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.184 25.180 -13.490 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.585 25.710 -14.785 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -8.120 25.086 -12.404 1.00 0.00 C ATOM 0 H VAL A 89 -11.039 26.429 -14.967 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.832 25.526 -12.169 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.564 24.178 -13.690 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.749 25.078 -15.085 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.344 25.703 -15.567 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.231 26.730 -14.632 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.290 24.475 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.757 26.085 -12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.550 24.631 -11.512 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.120 27.729 -11.290 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.759 29.032 -10.763 1.00 0.00 C ATOM 1450 C ASN A 90 -8.710 28.900 -9.672 1.00 0.00 C ATOM 1451 O ASN A 90 -9.038 28.697 -8.501 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.993 29.756 -10.209 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.949 30.231 -11.288 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.546 30.558 -12.404 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -13.232 30.274 -10.960 1.00 0.00 N ATOM 0 H ASN A 90 -10.538 27.095 -10.609 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.344 29.619 -11.582 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.524 29.087 -9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.668 30.613 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.923 30.586 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.529 29.995 -10.025 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.451 29.024 -10.073 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.339 29.018 -9.136 1.00 0.00 C ATOM 1464 C GLY A 91 -6.237 27.760 -8.288 1.00 0.00 C ATOM 1465 O GLY A 91 -5.558 26.804 -8.655 1.00 0.00 O ATOM 0 H GLY A 91 -7.175 29.131 -11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.410 29.142 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.432 29.880 -8.475 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.928 27.771 -7.159 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.778 26.739 -6.139 1.00 0.00 C ATOM 1471 C ARG A 92 -7.874 25.687 -6.217 1.00 0.00 C ATOM 1472 O ARG A 92 -7.761 24.613 -5.624 1.00 0.00 O ATOM 1473 CB ARG A 92 -6.766 27.357 -4.743 1.00 0.00 C ATOM 1474 CG ARG A 92 -8.132 27.812 -4.292 1.00 0.00 C ATOM 1475 CD ARG A 92 -8.647 28.929 -5.174 1.00 0.00 C ATOM 1476 NE ARG A 92 -9.947 29.446 -4.752 1.00 0.00 N ATOM 1477 CZ ARG A 92 -10.353 30.702 -4.956 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -9.522 31.599 -5.481 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -11.585 31.066 -4.626 1.00 0.00 N ATOM 0 H ARG A 92 -7.608 28.493 -6.922 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.824 26.247 -6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.378 26.628 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.084 28.207 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.827 26.972 -4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.083 28.153 -3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.923 29.744 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.723 28.567 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.583 28.809 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.570 31.329 -5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.837 32.557 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.225 30.386 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.892 32.026 -4.783 1.00 0.00 H new ATOM 1493 N SER A 93 -8.932 25.996 -6.937 1.00 0.00 N ATOM 1494 CA SER A 93 -10.095 25.132 -6.959 1.00 0.00 C ATOM 1495 C SER A 93 -10.812 25.193 -8.300 1.00 0.00 C ATOM 1496 O SER A 93 -10.504 26.031 -9.153 1.00 0.00 O ATOM 1497 CB SER A 93 -11.048 25.519 -5.827 1.00 0.00 C ATOM 1498 OG SER A 93 -11.350 26.906 -5.855 1.00 0.00 O ATOM 0 H SER A 93 -9.012 26.835 -7.512 1.00 0.00 H new ATOM 0 HA SER A 93 -9.758 24.105 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.969 24.943 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.599 25.262 -4.868 1.00 0.00 H new ATOM 0 HG SER A 93 -11.962 27.122 -5.121 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.768 24.297 -8.474 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.545 24.211 -9.694 1.00 0.00 C ATOM 1506 C ILE A 94 -13.951 24.743 -9.437 1.00 0.00 C ATOM 1507 O ILE A 94 -14.555 24.453 -8.403 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.593 22.748 -10.187 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.162 22.222 -10.357 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.364 22.641 -11.494 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.063 20.723 -10.516 1.00 0.00 C ATOM 0 H ILE A 94 -12.027 23.607 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.077 24.816 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.113 22.140 -9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.714 22.698 -11.229 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.572 22.523 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.384 21.601 -11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.384 22.994 -11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.877 23.251 -12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.017 20.438 -10.630 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.478 20.235 -9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.622 20.413 -11.399 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.457 25.536 -10.362 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.723 26.219 -10.173 1.00 0.00 C ATOM 1525 C ASP A 95 -16.632 26.006 -11.369 1.00 0.00 C ATOM 1526 O ASP A 95 -16.260 25.340 -12.335 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.504 27.715 -9.964 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.473 28.284 -8.952 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.638 28.549 -9.320 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -16.083 28.447 -7.779 1.00 0.00 O ATOM 0 H ASP A 95 -14.007 25.724 -11.258 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.197 25.800 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.482 27.890 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.621 28.237 -10.914 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.822 26.573 -11.295 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.813 26.427 -12.347 1.00 0.00 C ATOM 1537 C ILE A 96 -19.313 27.796 -12.795 1.00 0.00 C ATOM 1538 O ILE A 96 -19.941 28.519 -12.019 1.00 0.00 O ATOM 1539 CB ILE A 96 -20.010 25.585 -11.857 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.515 24.250 -11.299 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -21.003 25.356 -12.988 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.577 23.465 -10.568 1.00 0.00 C ATOM 0 H ILE A 96 -18.129 27.145 -10.508 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.340 25.918 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.520 26.130 -11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.129 23.645 -12.119 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.682 24.436 -10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.840 24.760 -12.623 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.371 26.316 -13.349 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.510 24.827 -13.804 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.151 22.531 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.947 24.050 -9.726 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.400 23.246 -11.248 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.017 28.159 -14.035 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.476 29.426 -14.582 1.00 0.00 C ATOM 1556 C GLU A 97 -20.454 29.171 -15.713 1.00 0.00 C ATOM 1557 O GLU A 97 -20.400 28.133 -16.371 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.297 30.269 -15.070 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.262 30.529 -13.989 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.285 31.624 -14.358 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -15.415 31.391 -15.220 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.379 32.723 -13.773 1.00 0.00 O ATOM 0 H GLU A 97 -18.462 27.595 -14.679 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.981 29.984 -13.794 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.819 29.763 -15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.670 31.222 -15.444 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.771 30.800 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.711 29.609 -13.792 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.342 30.118 -15.937 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.423 29.935 -16.888 1.00 0.00 C ATOM 1571 C TYR A 98 -22.189 30.715 -18.169 1.00 0.00 C ATOM 1572 O TYR A 98 -21.875 31.907 -18.141 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.748 30.364 -16.264 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.370 29.315 -15.370 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.976 29.177 -14.046 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.357 28.465 -15.857 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.550 28.223 -13.227 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -25.936 27.507 -15.044 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.528 27.391 -13.728 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.101 26.444 -12.911 1.00 0.00 O ATOM 0 H TYR A 98 -21.337 31.026 -15.472 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.458 28.875 -17.141 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.588 31.273 -15.685 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.450 30.612 -17.060 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.209 29.825 -13.650 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.676 28.554 -16.885 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.233 28.130 -12.199 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.702 26.854 -15.435 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.720 25.564 -13.113 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.335 30.031 -19.290 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.326 30.683 -20.588 1.00 0.00 C ATOM 1592 C TYR A 99 -23.750 30.699 -21.123 1.00 0.00 C ATOM 1593 O TYR A 99 -24.539 29.807 -20.801 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.370 29.976 -21.565 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.757 28.557 -21.930 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.320 27.472 -21.175 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.554 28.302 -23.041 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.668 26.181 -21.515 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.905 27.014 -23.388 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.461 25.957 -22.623 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.809 24.674 -22.970 1.00 0.00 O ATOM 0 H TYR A 99 -22.462 29.020 -19.327 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.961 31.705 -20.482 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.309 30.566 -22.480 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.372 29.963 -21.127 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.698 27.644 -20.309 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.904 29.127 -23.643 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.322 25.350 -20.918 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.524 26.835 -24.254 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.370 24.693 -23.773 1.00 0.00 H new ATOM 1611 N GLU A 100 -24.096 31.705 -21.912 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.471 31.842 -22.362 1.00 0.00 C ATOM 1613 C GLU A 100 -25.826 30.740 -23.351 1.00 0.00 C ATOM 1614 O GLU A 100 -25.003 30.336 -24.175 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.721 33.226 -22.971 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.031 33.464 -24.302 1.00 0.00 C ATOM 1617 CD GLU A 100 -25.285 34.858 -24.832 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -26.465 35.226 -25.015 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -24.307 35.607 -25.041 1.00 0.00 O ATOM 0 H GLU A 100 -23.457 32.425 -22.248 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.120 31.742 -21.492 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -26.794 33.362 -23.104 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.389 33.985 -22.263 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -23.958 33.310 -24.187 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -25.382 32.731 -25.028 1.00 0.00 H new ATOM 1626 N CYS A 101 -27.039 30.223 -23.214 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.563 29.203 -24.114 1.00 0.00 C ATOM 1628 C CYS A 101 -27.340 29.589 -25.581 1.00 0.00 C ATOM 1629 O CYS A 101 -27.799 30.641 -26.033 1.00 0.00 O ATOM 1630 CB CYS A 101 -29.054 29.014 -23.842 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.813 27.650 -24.769 1.00 0.00 S ATOM 0 H CYS A 101 -27.688 30.498 -22.477 1.00 0.00 H new ATOM 0 HA CYS A 101 -27.031 28.269 -23.932 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -29.198 28.838 -22.776 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.576 29.939 -24.086 1.00 0.00 H new ATOM 0 HG CYS A 101 -29.517 26.520 -24.199 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.662 28.715 -26.349 1.00 0.00 N ATOM 1637 CA PRO A 102 -26.240 29.009 -27.729 1.00 0.00 C ATOM 1638 C PRO A 102 -27.401 29.226 -28.698 1.00 0.00 C ATOM 1639 O PRO A 102 -27.206 29.730 -29.802 1.00 0.00 O ATOM 1640 CB PRO A 102 -25.436 27.768 -28.135 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.896 26.692 -27.216 1.00 0.00 C ATOM 1642 CD PRO A 102 -26.231 27.375 -25.922 1.00 0.00 C ATOM 0 HA PRO A 102 -25.678 29.942 -27.770 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.619 27.503 -29.176 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -24.365 27.942 -28.034 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.766 26.176 -27.622 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -25.119 25.942 -27.072 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -27.020 26.851 -25.383 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -25.369 27.423 -25.257 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.610 28.854 -28.290 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.786 29.046 -29.134 1.00 0.00 C ATOM 1652 C VAL A 103 -30.093 30.539 -29.291 1.00 0.00 C ATOM 1653 O VAL A 103 -30.685 30.963 -30.283 1.00 0.00 O ATOM 1654 CB VAL A 103 -31.025 28.307 -28.573 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.539 28.968 -27.302 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -32.125 28.223 -29.619 1.00 0.00 C ATOM 0 H VAL A 103 -28.802 28.421 -27.387 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.558 28.620 -30.111 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.716 27.293 -28.318 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.409 28.424 -26.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.757 28.955 -26.543 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.820 29.999 -27.516 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -32.985 27.700 -29.201 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -32.422 29.229 -29.917 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -31.758 27.680 -30.490 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.660 31.327 -28.316 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.884 32.764 -28.332 1.00 0.00 C ATOM 1668 C LYS A 104 -28.946 33.442 -29.315 1.00 0.00 C ATOM 1669 O LYS A 104 -29.364 34.263 -30.132 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.661 33.350 -26.940 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.745 33.004 -25.936 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.387 33.487 -24.538 1.00 0.00 C ATOM 1673 CE LYS A 104 -29.973 34.950 -24.527 1.00 0.00 C ATOM 1674 NZ LYS A 104 -31.084 35.862 -24.911 1.00 0.00 N ATOM 0 H LYS A 104 -29.149 30.991 -27.500 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.914 32.941 -28.641 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -28.703 32.997 -26.559 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -29.591 34.435 -27.022 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -31.687 33.455 -26.247 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -30.897 31.925 -25.921 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -31.242 33.348 -23.877 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.575 32.878 -24.141 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -29.617 35.216 -23.531 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.138 35.092 -25.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -30.749 36.846 -24.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -31.408 35.629 -25.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -31.873 35.749 -24.243 1.00 0.00 H new