USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=27 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 64 SER OG : rot 142:sc= 0.388 USER MOD Set 1.2: A 76 CYS SG : rot -90:sc= 0.267 USER MOD Set 1.3: A 78 ASN : amide:sc= 0.578 K(o=1.6,f=-0.0049) USER MOD Set 1.4: A 98 TYR OH : rot 30:sc= 0.356 USER MOD Set 2.1: A 67 CYS SG : rot -39:sc= -0.672 USER MOD Set 2.2: A 70 CYS SG : rot -10:sc= 1.7 USER MOD Set 2.3: A 84 HIS : no HE2:sc= -1.73 K(o=-4,f=-2.5) USER MOD Set 2.4: A 101 CYS SG : rot 88:sc= -3.28! USER MOD Set 3.1: A 53 SER OG : rot -90:sc= 0.915 USER MOD Set 3.2: A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.05! K(o=-1.1!,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.04! K(o=-2!,f=0) USER MOD Single : A 24 MET CE :methyl -137:sc= -0.501 (180deg=-3.29!) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0189 (180deg=-0.189) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.31 (180deg=0.478) USER MOD Single : A 29 MET CE :methyl -179:sc= -0.0263 (180deg=-0.0292) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= 1.02 (180deg=-1.71) USER MOD Single : A 32 GLN : amide:sc=-0.00858 K(o=-0.0086,f=-1) USER MOD Single : A 35 GLN : amide:sc= 0.853 K(o=0.85,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.625 (180deg=0.625) USER MOD Single : A 41 ASN : amide:sc= 0.265 X(o=0.26,f=-0.0073) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.26) USER MOD Single : A 49 MET CE :methyl -134:sc= -1.29 (180deg=-3.5!) USER MOD Single : A 52 LYS NZ :NH3+ -118:sc= -0.238 (180deg=-0.799) USER MOD Single : A 55 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.9!) USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= 1.31 (180deg=0.845) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -6:sc= 0.263 USER MOD Single : A 63 GLN : amide:sc= -2.73 K(o=-2.7,f=-0.92) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.642 K(o=-0.64,f=-4.2!) USER MOD Single : A 68 SER OG : rot 60:sc= 0.566 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -130:sc= 0.187 USER MOD Single : A 75 ASN : amide:sc= 0.00844 X(o=0.0084,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+ 149:sc= 0.893 (180deg=-0.189) USER MOD Single : A 90 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.973) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -22.239 4.186 4.853 1.00 0.00 N ATOM 226 CA ASP A 16 -22.890 4.963 3.801 1.00 0.00 C ATOM 227 C ASP A 16 -22.007 6.138 3.390 1.00 0.00 C ATOM 228 O ASP A 16 -22.157 6.694 2.303 1.00 0.00 O ATOM 229 CB ASP A 16 -24.280 5.451 4.235 1.00 0.00 C ATOM 230 CG ASP A 16 -24.240 6.596 5.225 1.00 0.00 C ATOM 231 OD1 ASP A 16 -24.168 6.332 6.442 1.00 0.00 O ATOM 232 OD2 ASP A 16 -24.303 7.764 4.790 1.00 0.00 O ATOM 0 HA ASP A 16 -23.030 4.310 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -24.837 5.764 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -24.826 4.618 4.678 1.00 0.00 H new ATOM 237 N PHE A 17 -21.070 6.495 4.260 1.00 0.00 N ATOM 238 CA PHE A 17 -20.100 7.539 3.963 1.00 0.00 C ATOM 239 C PHE A 17 -19.214 7.138 2.789 1.00 0.00 C ATOM 240 O PHE A 17 -19.069 7.889 1.827 1.00 0.00 O ATOM 241 CB PHE A 17 -19.232 7.829 5.191 1.00 0.00 C ATOM 242 CG PHE A 17 -18.179 8.880 4.959 1.00 0.00 C ATOM 243 CD1 PHE A 17 -18.483 10.224 5.090 1.00 0.00 C ATOM 244 CD2 PHE A 17 -16.886 8.522 4.611 1.00 0.00 C ATOM 245 CE1 PHE A 17 -17.520 11.192 4.878 1.00 0.00 C ATOM 246 CE2 PHE A 17 -15.919 9.486 4.398 1.00 0.00 C ATOM 247 CZ PHE A 17 -16.236 10.823 4.532 1.00 0.00 C ATOM 0 H PHE A 17 -20.962 6.073 5.182 1.00 0.00 H new ATOM 0 HA PHE A 17 -20.649 8.441 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -19.875 8.148 6.011 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -18.746 6.906 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -19.486 10.520 5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.631 7.478 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.772 12.237 4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.915 9.193 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.481 11.578 4.367 1.00 0.00 H new ATOM 257 N GLN A 18 -18.623 5.950 2.865 1.00 0.00 N ATOM 258 CA GLN A 18 -17.717 5.501 1.821 1.00 0.00 C ATOM 259 C GLN A 18 -18.503 5.176 0.556 1.00 0.00 C ATOM 260 O GLN A 18 -18.010 5.365 -0.556 1.00 0.00 O ATOM 261 CB GLN A 18 -16.877 4.301 2.298 1.00 0.00 C ATOM 262 CG GLN A 18 -17.641 2.981 2.422 1.00 0.00 C ATOM 263 CD GLN A 18 -17.730 2.186 1.124 1.00 0.00 C ATOM 264 OE1 GLN A 18 -18.717 1.493 0.882 1.00 0.00 O ATOM 265 NE2 GLN A 18 -16.692 2.241 0.306 1.00 0.00 N ATOM 0 H GLN A 18 -18.755 5.289 3.631 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.019 6.305 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.048 4.159 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.443 4.544 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.158 2.364 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.650 3.190 2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.890 2.827 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.694 1.698 -0.557 1.00 0.00 H new ATOM 274 N LYS A 19 -19.737 4.711 0.738 1.00 0.00 N ATOM 275 CA LYS A 19 -20.616 4.416 -0.384 1.00 0.00 C ATOM 276 C LYS A 19 -20.943 5.684 -1.159 1.00 0.00 C ATOM 277 O LYS A 19 -20.815 5.714 -2.381 1.00 0.00 O ATOM 278 CB LYS A 19 -21.905 3.741 0.093 1.00 0.00 C ATOM 279 CG LYS A 19 -21.708 2.310 0.560 1.00 0.00 C ATOM 280 CD LYS A 19 -23.034 1.589 0.751 1.00 0.00 C ATOM 281 CE LYS A 19 -23.887 2.243 1.823 1.00 0.00 C ATOM 282 NZ LYS A 19 -25.175 1.529 2.006 1.00 0.00 N ATOM 0 H LYS A 19 -20.148 4.531 1.654 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.092 3.727 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.330 4.325 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.632 3.752 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.103 1.770 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.155 2.307 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.581 1.580 -0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.846 0.550 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.340 2.256 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.081 3.281 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.732 2.002 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.707 1.538 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.990 0.545 2.289 1.00 0.00 H new ATOM 296 N ARG A 20 -21.344 6.736 -0.451 1.00 0.00 N ATOM 297 CA ARG A 20 -21.658 8.000 -1.103 1.00 0.00 C ATOM 298 C ARG A 20 -20.399 8.585 -1.739 1.00 0.00 C ATOM 299 O ARG A 20 -20.466 9.246 -2.774 1.00 0.00 O ATOM 300 CB ARG A 20 -22.271 9.003 -0.114 1.00 0.00 C ATOM 301 CG ARG A 20 -21.246 9.749 0.726 1.00 0.00 C ATOM 302 CD ARG A 20 -21.895 10.750 1.667 1.00 0.00 C ATOM 303 NE ARG A 20 -22.475 10.116 2.848 1.00 0.00 N ATOM 304 CZ ARG A 20 -22.215 10.507 4.098 1.00 0.00 C ATOM 305 NH1 ARG A 20 -21.377 11.514 4.326 1.00 0.00 N ATOM 306 NH2 ARG A 20 -22.780 9.884 5.122 1.00 0.00 N ATOM 0 H ARG A 20 -21.458 6.738 0.563 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.397 7.806 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.867 9.727 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.953 8.472 0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.663 9.033 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.549 10.269 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.152 11.483 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.673 11.294 1.132 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.113 9.332 2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.929 11.992 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.182 11.809 5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.415 9.103 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.579 10.185 6.076 1.00 0.00 H new ATOM 320 N LEU A 21 -19.250 8.314 -1.123 1.00 0.00 N ATOM 321 CA LEU A 21 -17.973 8.817 -1.609 1.00 0.00 C ATOM 322 C LEU A 21 -17.586 8.159 -2.931 1.00 0.00 C ATOM 323 O LEU A 21 -17.246 8.844 -3.896 1.00 0.00 O ATOM 324 CB LEU A 21 -16.886 8.571 -0.557 1.00 0.00 C ATOM 325 CG LEU A 21 -15.449 8.775 -1.037 1.00 0.00 C ATOM 326 CD1 LEU A 21 -15.202 10.234 -1.395 1.00 0.00 C ATOM 327 CD2 LEU A 21 -14.463 8.305 0.021 1.00 0.00 C ATOM 0 H LEU A 21 -19.181 7.744 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.071 9.888 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.066 9.235 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.986 7.550 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.299 8.177 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.173 10.356 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.884 10.534 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.371 10.858 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.445 8.457 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.614 8.875 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.622 7.246 0.222 1.00 0.00 H new ATOM 339 N GLU A 22 -17.658 6.833 -2.980 1.00 0.00 N ATOM 340 CA GLU A 22 -17.392 6.108 -4.216 1.00 0.00 C ATOM 341 C GLU A 22 -18.453 6.442 -5.255 1.00 0.00 C ATOM 342 O GLU A 22 -18.162 6.549 -6.441 1.00 0.00 O ATOM 343 CB GLU A 22 -17.356 4.596 -3.978 1.00 0.00 C ATOM 344 CG GLU A 22 -16.222 4.141 -3.073 1.00 0.00 C ATOM 345 CD GLU A 22 -16.052 2.634 -3.067 1.00 0.00 C ATOM 346 OE1 GLU A 22 -16.841 1.938 -2.396 1.00 0.00 O ATOM 347 OE2 GLU A 22 -15.126 2.134 -3.738 1.00 0.00 O ATOM 0 H GLU A 22 -17.897 6.242 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.413 6.417 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.304 4.284 -3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.267 4.089 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.292 4.607 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.412 4.486 -2.057 1.00 0.00 H new ATOM 354 N GLN A 23 -19.678 6.626 -4.786 1.00 0.00 N ATOM 355 CA GLN A 23 -20.807 6.963 -5.642 1.00 0.00 C ATOM 356 C GLN A 23 -20.580 8.287 -6.360 1.00 0.00 C ATOM 357 O GLN A 23 -20.647 8.361 -7.589 1.00 0.00 O ATOM 358 CB GLN A 23 -22.075 7.035 -4.797 1.00 0.00 C ATOM 359 CG GLN A 23 -23.348 7.280 -5.586 1.00 0.00 C ATOM 360 CD GLN A 23 -24.593 6.962 -4.782 1.00 0.00 C ATOM 361 OE1 GLN A 23 -25.635 6.618 -5.340 1.00 0.00 O ATOM 362 NE2 GLN A 23 -24.492 7.058 -3.465 1.00 0.00 N ATOM 0 H GLN A 23 -19.918 6.546 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.912 6.188 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.180 6.102 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.961 7.831 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.380 8.322 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.336 6.670 -6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.610 7.347 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -25.296 6.843 -2.875 1.00 0.00 H new ATOM 371 N MET A 24 -20.316 9.331 -5.591 1.00 0.00 N ATOM 372 CA MET A 24 -20.098 10.655 -6.164 1.00 0.00 C ATOM 373 C MET A 24 -18.835 10.683 -7.022 1.00 0.00 C ATOM 374 O MET A 24 -18.809 11.314 -8.075 1.00 0.00 O ATOM 375 CB MET A 24 -20.034 11.728 -5.076 1.00 0.00 C ATOM 376 CG MET A 24 -18.875 11.583 -4.108 1.00 0.00 C ATOM 377 SD MET A 24 -18.908 12.827 -2.801 1.00 0.00 S ATOM 378 CE MET A 24 -18.856 14.338 -3.764 1.00 0.00 C ATOM 0 H MET A 24 -20.247 9.291 -4.574 1.00 0.00 H new ATOM 0 HA MET A 24 -20.950 10.877 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.971 12.706 -5.553 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.966 11.709 -4.511 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.901 10.589 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.936 11.661 -4.656 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.163 15.041 -3.301 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.522 14.113 -4.777 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.851 14.780 -3.801 1.00 0.00 H new ATOM 388 N LYS A 25 -17.798 9.985 -6.576 1.00 0.00 N ATOM 389 CA LYS A 25 -16.549 9.905 -7.328 1.00 0.00 C ATOM 390 C LYS A 25 -16.788 9.209 -8.665 1.00 0.00 C ATOM 391 O LYS A 25 -16.276 9.630 -9.703 1.00 0.00 O ATOM 392 CB LYS A 25 -15.491 9.143 -6.526 1.00 0.00 C ATOM 393 CG LYS A 25 -14.063 9.498 -6.908 1.00 0.00 C ATOM 394 CD LYS A 25 -13.753 10.943 -6.551 1.00 0.00 C ATOM 395 CE LYS A 25 -12.296 11.302 -6.794 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.369 10.509 -5.939 1.00 0.00 N ATOM 0 H LYS A 25 -17.796 9.466 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.188 10.917 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.635 9.347 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.641 8.073 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.368 8.834 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.919 9.344 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.390 11.604 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.997 11.115 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.053 11.134 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.148 12.364 -6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.423 10.941 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.723 10.497 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.313 9.535 -6.299 1.00 0.00 H new ATOM 410 N GLU A 26 -17.584 8.150 -8.616 1.00 0.00 N ATOM 411 CA GLU A 26 -17.967 7.387 -9.798 1.00 0.00 C ATOM 412 C GLU A 26 -18.665 8.299 -10.803 1.00 0.00 C ATOM 413 O GLU A 26 -18.351 8.294 -11.994 1.00 0.00 O ATOM 414 CB GLU A 26 -18.893 6.242 -9.367 1.00 0.00 C ATOM 415 CG GLU A 26 -19.085 5.138 -10.396 1.00 0.00 C ATOM 416 CD GLU A 26 -20.086 5.477 -11.481 1.00 0.00 C ATOM 417 OE1 GLU A 26 -21.075 6.183 -11.196 1.00 0.00 O ATOM 418 OE2 GLU A 26 -19.889 5.030 -12.629 1.00 0.00 O ATOM 0 H GLU A 26 -17.986 7.793 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.081 6.971 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.495 5.799 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.869 6.660 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.124 4.915 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.410 4.232 -9.885 1.00 0.00 H new ATOM 425 N LYS A 27 -19.605 9.084 -10.303 1.00 0.00 N ATOM 426 CA LYS A 27 -20.328 10.044 -11.126 1.00 0.00 C ATOM 427 C LYS A 27 -19.385 11.044 -11.786 1.00 0.00 C ATOM 428 O LYS A 27 -19.373 11.183 -13.007 1.00 0.00 O ATOM 429 CB LYS A 27 -21.364 10.797 -10.291 1.00 0.00 C ATOM 430 CG LYS A 27 -22.728 10.127 -10.240 1.00 0.00 C ATOM 431 CD LYS A 27 -23.356 10.042 -11.625 1.00 0.00 C ATOM 432 CE LYS A 27 -23.327 11.390 -12.334 1.00 0.00 C ATOM 433 NZ LYS A 27 -23.867 11.314 -13.716 1.00 0.00 N ATOM 0 H LYS A 27 -19.888 9.076 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.833 9.479 -11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.986 10.905 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.480 11.802 -10.696 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.628 9.125 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.385 10.686 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -22.822 9.303 -12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.386 9.697 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.907 12.112 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -22.302 11.758 -12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -23.628 12.186 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -23.450 10.497 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.901 11.206 -13.679 1.00 0.00 H new ATOM 447 N VAL A 28 -18.582 11.719 -10.977 1.00 0.00 N ATOM 448 CA VAL A 28 -17.716 12.779 -11.469 1.00 0.00 C ATOM 449 C VAL A 28 -16.695 12.238 -12.468 1.00 0.00 C ATOM 450 O VAL A 28 -16.457 12.836 -13.515 1.00 0.00 O ATOM 451 CB VAL A 28 -16.978 13.484 -10.310 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.051 14.566 -10.835 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.963 14.084 -9.321 1.00 0.00 C ATOM 0 H VAL A 28 -18.512 11.550 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.354 13.505 -11.973 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.381 12.731 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.543 15.047 -9.999 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.312 14.120 -11.501 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.632 15.308 -11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.417 14.574 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.591 14.815 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.589 13.294 -8.907 1.00 0.00 H new ATOM 463 N MET A 29 -16.125 11.082 -12.160 1.00 0.00 N ATOM 464 CA MET A 29 -15.049 10.527 -12.976 1.00 0.00 C ATOM 465 C MET A 29 -15.561 9.882 -14.262 1.00 0.00 C ATOM 466 O MET A 29 -14.766 9.464 -15.105 1.00 0.00 O ATOM 467 CB MET A 29 -14.233 9.510 -12.173 1.00 0.00 C ATOM 468 CG MET A 29 -13.300 10.140 -11.152 1.00 0.00 C ATOM 469 SD MET A 29 -12.014 11.146 -11.920 1.00 0.00 S ATOM 470 CE MET A 29 -11.114 11.709 -10.477 1.00 0.00 C ATOM 0 H MET A 29 -16.386 10.511 -11.356 1.00 0.00 H new ATOM 0 HA MET A 29 -14.411 11.363 -13.261 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.917 8.835 -11.658 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.646 8.904 -12.863 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.880 10.759 -10.467 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.835 9.355 -10.556 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.296 12.359 -10.789 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.787 12.262 -9.821 1.00 0.00 H new ATOM 0 HE3 MET A 29 -10.711 10.850 -9.942 1.00 0.00 H new ATOM 480 N LYS A 30 -16.876 9.797 -14.428 1.00 0.00 N ATOM 481 CA LYS A 30 -17.434 9.179 -15.626 1.00 0.00 C ATOM 482 C LYS A 30 -18.448 10.075 -16.337 1.00 0.00 C ATOM 483 O LYS A 30 -19.076 9.647 -17.308 1.00 0.00 O ATOM 484 CB LYS A 30 -18.069 7.825 -15.298 1.00 0.00 C ATOM 485 CG LYS A 30 -17.116 6.651 -15.473 1.00 0.00 C ATOM 486 CD LYS A 30 -16.164 6.501 -14.299 1.00 0.00 C ATOM 487 CE LYS A 30 -16.853 5.861 -13.108 1.00 0.00 C ATOM 488 NZ LYS A 30 -17.360 4.496 -13.417 1.00 0.00 N ATOM 0 H LYS A 30 -17.566 10.142 -13.761 1.00 0.00 H new ATOM 0 HA LYS A 30 -16.599 9.028 -16.310 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.429 7.841 -14.269 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.939 7.676 -15.938 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.692 5.733 -15.590 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.541 6.786 -16.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.309 5.894 -14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.777 7.479 -14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.155 5.807 -12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.683 6.491 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.400 4.499 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.032 4.209 -14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.003 3.824 -12.708 1.00 0.00 H new ATOM 502 N ASP A 31 -18.601 11.314 -15.886 1.00 0.00 N ATOM 503 CA ASP A 31 -19.509 12.241 -16.553 1.00 0.00 C ATOM 504 C ASP A 31 -18.797 12.901 -17.723 1.00 0.00 C ATOM 505 O ASP A 31 -17.637 13.301 -17.612 1.00 0.00 O ATOM 506 CB ASP A 31 -20.059 13.289 -15.583 1.00 0.00 C ATOM 507 CG ASP A 31 -21.535 13.553 -15.823 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.868 14.227 -16.818 1.00 0.00 O ATOM 509 OD2 ASP A 31 -22.371 13.070 -15.026 1.00 0.00 O ATOM 0 H ASP A 31 -18.117 11.697 -15.074 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.363 11.676 -16.928 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.912 12.949 -14.558 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.500 14.218 -15.695 1.00 0.00 H new ATOM 514 N GLN A 32 -19.506 13.000 -18.836 1.00 0.00 N ATOM 515 CA GLN A 32 -18.924 13.403 -20.115 1.00 0.00 C ATOM 516 C GLN A 32 -18.307 14.793 -20.057 1.00 0.00 C ATOM 517 O GLN A 32 -17.166 14.995 -20.480 1.00 0.00 O ATOM 518 CB GLN A 32 -20.001 13.382 -21.198 1.00 0.00 C ATOM 519 CG GLN A 32 -20.746 12.062 -21.304 1.00 0.00 C ATOM 520 CD GLN A 32 -21.929 12.143 -22.250 1.00 0.00 C ATOM 521 OE1 GLN A 32 -22.531 13.202 -22.423 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.269 11.027 -22.871 1.00 0.00 N ATOM 0 H GLN A 32 -20.506 12.803 -18.882 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.130 12.693 -20.347 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.719 14.177 -20.997 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.539 13.605 -22.160 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.061 11.287 -21.648 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.094 11.763 -20.315 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.745 10.169 -22.701 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.056 11.024 -23.520 1.00 0.00 H new ATOM 531 N ASP A 33 -19.059 15.746 -19.534 1.00 0.00 N ATOM 532 CA ASP A 33 -18.622 17.141 -19.532 1.00 0.00 C ATOM 533 C ASP A 33 -17.386 17.316 -18.659 1.00 0.00 C ATOM 534 O ASP A 33 -16.482 18.087 -18.982 1.00 0.00 O ATOM 535 CB ASP A 33 -19.741 18.066 -19.047 1.00 0.00 C ATOM 536 CG ASP A 33 -19.422 19.529 -19.286 1.00 0.00 C ATOM 537 OD1 ASP A 33 -18.692 20.124 -18.471 1.00 0.00 O ATOM 538 OD2 ASP A 33 -19.917 20.094 -20.287 1.00 0.00 O ATOM 0 H ASP A 33 -19.971 15.586 -19.106 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.370 17.412 -20.557 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.668 17.810 -19.559 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.909 17.902 -17.983 1.00 0.00 H new ATOM 543 N VAL A 34 -17.341 16.562 -17.568 1.00 0.00 N ATOM 544 CA VAL A 34 -16.204 16.593 -16.663 1.00 0.00 C ATOM 545 C VAL A 34 -14.938 16.130 -17.392 1.00 0.00 C ATOM 546 O VAL A 34 -13.857 16.688 -17.201 1.00 0.00 O ATOM 547 CB VAL A 34 -16.465 15.714 -15.416 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.270 15.709 -14.482 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.709 16.193 -14.682 1.00 0.00 C ATOM 0 H VAL A 34 -18.083 15.920 -17.290 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.060 17.620 -16.326 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.627 14.691 -15.756 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.487 15.082 -13.617 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.400 15.315 -15.007 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.063 16.726 -14.150 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.880 15.565 -13.807 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.569 17.227 -14.365 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.570 16.131 -15.347 1.00 0.00 H new ATOM 559 N GLN A 35 -15.094 15.134 -18.264 1.00 0.00 N ATOM 560 CA GLN A 35 -13.983 14.622 -19.068 1.00 0.00 C ATOM 561 C GLN A 35 -13.389 15.734 -19.916 1.00 0.00 C ATOM 562 O GLN A 35 -12.167 15.870 -20.025 1.00 0.00 O ATOM 563 CB GLN A 35 -14.457 13.505 -19.998 1.00 0.00 C ATOM 564 CG GLN A 35 -15.251 12.430 -19.295 1.00 0.00 C ATOM 565 CD GLN A 35 -14.427 11.652 -18.293 1.00 0.00 C ATOM 566 OE1 GLN A 35 -13.225 11.444 -18.476 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.065 11.238 -17.216 1.00 0.00 N ATOM 0 H GLN A 35 -15.983 14.663 -18.432 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.230 14.232 -18.383 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.069 13.938 -20.790 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.590 13.050 -20.477 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.099 12.886 -18.785 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.658 11.742 -20.036 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.060 11.433 -17.106 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.563 10.723 -16.492 1.00 0.00 H new ATOM 576 N ALA A 36 -14.270 16.509 -20.531 1.00 0.00 N ATOM 577 CA ALA A 36 -13.861 17.623 -21.377 1.00 0.00 C ATOM 578 C ALA A 36 -13.026 18.629 -20.594 1.00 0.00 C ATOM 579 O ALA A 36 -11.949 19.029 -21.033 1.00 0.00 O ATOM 580 CB ALA A 36 -15.079 18.296 -21.997 1.00 0.00 C ATOM 0 H ALA A 36 -15.280 16.386 -20.460 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.239 17.228 -22.180 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.756 19.126 -22.626 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.625 17.573 -22.603 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.729 18.672 -21.207 1.00 0.00 H new ATOM 586 N PHE A 37 -13.514 19.006 -19.421 1.00 0.00 N ATOM 587 CA PHE A 37 -12.823 19.968 -18.570 1.00 0.00 C ATOM 588 C PHE A 37 -11.455 19.448 -18.133 1.00 0.00 C ATOM 589 O PHE A 37 -10.474 20.194 -18.123 1.00 0.00 O ATOM 590 CB PHE A 37 -13.674 20.288 -17.340 1.00 0.00 C ATOM 591 CG PHE A 37 -12.973 21.135 -16.317 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.558 22.421 -16.625 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.739 20.647 -15.044 1.00 0.00 C ATOM 594 CE1 PHE A 37 -11.924 23.204 -15.682 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.109 21.426 -14.094 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.701 22.709 -14.413 1.00 0.00 C ATOM 0 H PHE A 37 -14.391 18.659 -19.034 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.669 20.876 -19.152 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.581 20.800 -17.661 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.984 19.354 -16.872 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.733 22.815 -17.615 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.053 19.645 -14.790 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.603 24.203 -15.937 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.935 21.034 -13.103 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.210 23.321 -13.671 1.00 0.00 H new ATOM 606 N LEU A 38 -11.395 18.171 -17.779 1.00 0.00 N ATOM 607 CA LEU A 38 -10.156 17.564 -17.306 1.00 0.00 C ATOM 608 C LEU A 38 -9.052 17.646 -18.350 1.00 0.00 C ATOM 609 O LEU A 38 -7.909 17.941 -18.024 1.00 0.00 O ATOM 610 CB LEU A 38 -10.383 16.108 -16.905 1.00 0.00 C ATOM 611 CG LEU A 38 -10.562 15.874 -15.405 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.342 16.366 -14.645 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.816 16.563 -14.888 1.00 0.00 C ATOM 0 H LEU A 38 -12.191 17.534 -17.810 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.837 18.130 -16.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.267 15.737 -17.424 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.537 15.515 -17.252 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.673 14.802 -15.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.484 16.193 -13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.459 15.826 -14.986 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.207 17.433 -14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.917 16.379 -13.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.742 17.636 -15.066 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.689 16.168 -15.408 1.00 0.00 H new ATOM 625 N LYS A 39 -9.394 17.390 -19.603 1.00 0.00 N ATOM 626 CA LYS A 39 -8.398 17.442 -20.672 1.00 0.00 C ATOM 627 C LYS A 39 -8.183 18.875 -21.145 1.00 0.00 C ATOM 628 O LYS A 39 -7.151 19.197 -21.730 1.00 0.00 O ATOM 629 CB LYS A 39 -8.787 16.540 -21.848 1.00 0.00 C ATOM 630 CG LYS A 39 -10.134 16.862 -22.470 1.00 0.00 C ATOM 631 CD LYS A 39 -10.427 15.955 -23.657 1.00 0.00 C ATOM 632 CE LYS A 39 -10.477 14.489 -23.253 1.00 0.00 C ATOM 633 NZ LYS A 39 -11.568 14.217 -22.283 1.00 0.00 N ATOM 0 H LYS A 39 -10.337 17.147 -19.906 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.459 17.069 -20.262 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.018 16.616 -22.617 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.796 15.505 -21.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.919 16.750 -21.722 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.148 17.903 -22.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.379 16.240 -24.106 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.660 16.096 -24.419 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.619 13.873 -24.141 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.522 14.201 -22.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.567 13.207 -22.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.419 14.785 -21.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.483 14.468 -22.710 1.00 0.00 H new ATOM 647 N GLU A 40 -9.165 19.729 -20.894 1.00 0.00 N ATOM 648 CA GLU A 40 -9.049 21.151 -21.197 1.00 0.00 C ATOM 649 C GLU A 40 -7.919 21.767 -20.386 1.00 0.00 C ATOM 650 O GLU A 40 -7.029 22.427 -20.920 1.00 0.00 O ATOM 651 CB GLU A 40 -10.364 21.869 -20.870 1.00 0.00 C ATOM 652 CG GLU A 40 -10.430 23.311 -21.356 1.00 0.00 C ATOM 653 CD GLU A 40 -11.661 24.050 -20.855 1.00 0.00 C ATOM 654 OE1 GLU A 40 -12.702 24.020 -21.538 1.00 0.00 O ATOM 655 OE2 GLU A 40 -11.581 24.687 -19.779 1.00 0.00 O ATOM 0 H GLU A 40 -10.057 19.461 -20.479 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.833 21.264 -22.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.189 21.311 -21.313 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.513 21.855 -19.790 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.536 23.841 -21.027 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.425 23.322 -22.446 1.00 0.00 H new ATOM 662 N ASN A 41 -7.957 21.518 -19.091 1.00 0.00 N ATOM 663 CA ASN A 41 -6.986 22.083 -18.166 1.00 0.00 C ATOM 664 C ASN A 41 -6.103 20.990 -17.584 1.00 0.00 C ATOM 665 O ASN A 41 -5.689 21.068 -16.429 1.00 0.00 O ATOM 666 CB ASN A 41 -7.712 22.822 -17.043 1.00 0.00 C ATOM 667 CG ASN A 41 -8.428 24.061 -17.532 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.862 25.155 -17.563 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.681 23.897 -17.917 1.00 0.00 N ATOM 0 H ASN A 41 -8.657 20.922 -18.650 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.353 22.785 -18.709 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.433 22.150 -16.577 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.993 23.102 -16.273 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.219 24.694 -18.257 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.111 22.973 -17.875 1.00 0.00 H new ATOM 676 N GLU A 42 -5.792 19.999 -18.411 1.00 0.00 N ATOM 677 CA GLU A 42 -5.028 18.821 -17.986 1.00 0.00 C ATOM 678 C GLU A 42 -3.724 19.194 -17.279 1.00 0.00 C ATOM 679 O GLU A 42 -3.345 18.573 -16.286 1.00 0.00 O ATOM 680 CB GLU A 42 -4.707 17.940 -19.195 1.00 0.00 C ATOM 681 CG GLU A 42 -4.012 18.696 -20.314 1.00 0.00 C ATOM 682 CD GLU A 42 -3.366 17.783 -21.328 1.00 0.00 C ATOM 683 OE1 GLU A 42 -2.433 17.041 -20.960 1.00 0.00 O ATOM 684 OE2 GLU A 42 -3.787 17.802 -22.502 1.00 0.00 O ATOM 0 H GLU A 42 -6.060 19.985 -19.395 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.651 18.279 -17.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.074 17.112 -18.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.631 17.506 -19.577 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.737 19.335 -20.818 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.253 19.351 -19.886 1.00 0.00 H new ATOM 691 N GLU A 43 -3.044 20.206 -17.794 1.00 0.00 N ATOM 692 CA GLU A 43 -1.729 20.574 -17.294 1.00 0.00 C ATOM 693 C GLU A 43 -1.841 21.512 -16.093 1.00 0.00 C ATOM 694 O GLU A 43 -0.872 21.735 -15.369 1.00 0.00 O ATOM 695 CB GLU A 43 -0.922 21.229 -18.416 1.00 0.00 C ATOM 696 CG GLU A 43 0.571 21.303 -18.147 1.00 0.00 C ATOM 697 CD GLU A 43 1.207 19.933 -18.015 1.00 0.00 C ATOM 698 OE1 GLU A 43 1.104 19.126 -18.961 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.837 19.666 -16.973 1.00 0.00 O ATOM 0 H GLU A 43 -3.382 20.789 -18.560 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.215 19.672 -16.961 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.086 20.673 -19.339 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.301 22.238 -18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.056 21.848 -18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.744 21.870 -17.232 1.00 0.00 H new ATOM 706 N VAL A 44 -3.032 22.045 -15.874 1.00 0.00 N ATOM 707 CA VAL A 44 -3.248 23.010 -14.806 1.00 0.00 C ATOM 708 C VAL A 44 -3.853 22.332 -13.578 1.00 0.00 C ATOM 709 O VAL A 44 -3.503 22.647 -12.440 1.00 0.00 O ATOM 710 CB VAL A 44 -4.176 24.152 -15.271 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.277 25.240 -14.208 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.688 24.723 -16.594 1.00 0.00 C ATOM 0 H VAL A 44 -3.865 21.826 -16.421 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.277 23.429 -14.542 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.176 23.744 -15.422 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.937 26.033 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.680 24.814 -13.289 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.287 25.652 -14.013 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.352 25.528 -16.910 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.678 25.113 -16.471 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.684 23.938 -17.350 1.00 0.00 H new ATOM 722 N ILE A 45 -4.751 21.390 -13.826 1.00 0.00 N ATOM 723 CA ILE A 45 -5.449 20.686 -12.759 1.00 0.00 C ATOM 724 C ILE A 45 -4.599 19.537 -12.227 1.00 0.00 C ATOM 725 O ILE A 45 -3.800 18.957 -12.958 1.00 0.00 O ATOM 726 CB ILE A 45 -6.793 20.115 -13.267 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.656 21.220 -13.862 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.551 19.416 -12.146 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.902 20.694 -14.539 1.00 0.00 C ATOM 0 H ILE A 45 -5.015 21.093 -14.765 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.637 21.403 -11.960 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.569 19.383 -14.043 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.943 21.914 -13.073 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.067 21.785 -14.585 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.492 19.024 -12.532 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.949 18.595 -11.756 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.755 20.128 -11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.476 21.528 -14.943 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.620 20.021 -15.349 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.510 20.153 -13.813 1.00 0.00 H new ATOM 741 N ASP A 46 -4.774 19.219 -10.955 1.00 0.00 N ATOM 742 CA ASP A 46 -4.133 18.060 -10.357 1.00 0.00 C ATOM 743 C ASP A 46 -5.203 17.164 -9.738 1.00 0.00 C ATOM 744 O ASP A 46 -6.350 17.589 -9.570 1.00 0.00 O ATOM 745 CB ASP A 46 -3.091 18.485 -9.312 1.00 0.00 C ATOM 746 CG ASP A 46 -3.698 19.137 -8.086 1.00 0.00 C ATOM 747 OD1 ASP A 46 -4.085 18.406 -7.155 1.00 0.00 O ATOM 748 OD2 ASP A 46 -3.779 20.383 -8.039 1.00 0.00 O ATOM 0 H ASP A 46 -5.360 19.752 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.603 17.502 -11.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.519 17.610 -9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.388 19.179 -9.773 1.00 0.00 H new ATOM 753 N GLN A 47 -4.835 15.928 -9.412 1.00 0.00 N ATOM 754 CA GLN A 47 -5.798 14.948 -8.901 1.00 0.00 C ATOM 755 C GLN A 47 -6.444 15.423 -7.605 1.00 0.00 C ATOM 756 O GLN A 47 -7.646 15.251 -7.393 1.00 0.00 O ATOM 757 CB GLN A 47 -5.125 13.594 -8.671 1.00 0.00 C ATOM 758 CG GLN A 47 -4.795 12.845 -9.952 1.00 0.00 C ATOM 759 CD GLN A 47 -4.212 11.468 -9.689 1.00 0.00 C ATOM 760 OE1 GLN A 47 -4.492 10.844 -8.665 1.00 0.00 O ATOM 761 NE2 GLN A 47 -3.420 10.972 -10.624 1.00 0.00 N ATOM 0 H GLN A 47 -3.880 15.579 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.577 14.838 -9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.207 13.747 -8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.778 12.974 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.699 12.744 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.086 13.430 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.211 11.520 -11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.018 10.042 -10.511 1.00 0.00 H new ATOM 770 N LYS A 48 -5.643 16.030 -6.749 1.00 0.00 N ATOM 771 CA LYS A 48 -6.125 16.496 -5.461 1.00 0.00 C ATOM 772 C LYS A 48 -7.002 17.725 -5.605 1.00 0.00 C ATOM 773 O LYS A 48 -7.900 17.947 -4.800 1.00 0.00 O ATOM 774 CB LYS A 48 -4.958 16.787 -4.535 1.00 0.00 C ATOM 775 CG LYS A 48 -4.285 15.531 -4.022 1.00 0.00 C ATOM 776 CD LYS A 48 -5.266 14.675 -3.232 1.00 0.00 C ATOM 777 CE LYS A 48 -4.702 13.300 -2.908 1.00 0.00 C ATOM 778 NZ LYS A 48 -5.726 12.433 -2.267 1.00 0.00 N ATOM 0 H LYS A 48 -4.654 16.212 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.734 15.702 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.225 17.396 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.311 17.376 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.888 14.958 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.438 15.799 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.526 15.186 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.188 14.562 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.343 12.827 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.843 13.404 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.332 11.482 -2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.001 12.840 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.562 12.370 -2.882 1.00 0.00 H new ATOM 792 N MET A 49 -6.712 18.541 -6.598 1.00 0.00 N ATOM 793 CA MET A 49 -7.585 19.647 -6.961 1.00 0.00 C ATOM 794 C MET A 49 -8.997 19.139 -7.220 1.00 0.00 C ATOM 795 O MET A 49 -9.976 19.734 -6.768 1.00 0.00 O ATOM 796 CB MET A 49 -7.059 20.346 -8.208 1.00 0.00 C ATOM 797 CG MET A 49 -7.865 21.565 -8.589 1.00 0.00 C ATOM 798 SD MET A 49 -7.253 22.367 -10.081 1.00 0.00 S ATOM 799 CE MET A 49 -5.627 22.882 -9.541 1.00 0.00 C ATOM 0 H MET A 49 -5.874 18.461 -7.173 1.00 0.00 H new ATOM 0 HA MET A 49 -7.605 20.357 -6.134 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.023 20.640 -8.042 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.061 19.642 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.905 21.275 -8.738 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.848 22.279 -7.765 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.453 23.915 -9.843 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.563 22.806 -8.456 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.872 22.240 -9.995 1.00 0.00 H new ATOM 809 N ILE A 50 -9.089 18.026 -7.941 1.00 0.00 N ATOM 810 CA ILE A 50 -10.370 17.397 -8.241 1.00 0.00 C ATOM 811 C ILE A 50 -11.089 16.999 -6.959 1.00 0.00 C ATOM 812 O ILE A 50 -12.284 17.223 -6.820 1.00 0.00 O ATOM 813 CB ILE A 50 -10.192 16.147 -9.135 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.619 16.545 -10.497 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.512 15.403 -9.309 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.519 17.475 -11.286 1.00 0.00 C ATOM 0 H ILE A 50 -8.283 17.538 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.969 18.130 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.490 15.475 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.653 17.027 -10.348 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.438 15.644 -11.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.356 14.529 -9.942 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.881 15.084 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.243 16.063 -9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.048 17.714 -12.240 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.477 16.988 -11.466 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.679 18.393 -10.720 1.00 0.00 H new ATOM 828 N GLU A 51 -10.351 16.412 -6.025 1.00 0.00 N ATOM 829 CA GLU A 51 -10.934 15.986 -4.756 1.00 0.00 C ATOM 830 C GLU A 51 -11.293 17.180 -3.867 1.00 0.00 C ATOM 831 O GLU A 51 -12.330 17.175 -3.205 1.00 0.00 O ATOM 832 CB GLU A 51 -9.988 15.037 -4.016 1.00 0.00 C ATOM 833 CG GLU A 51 -9.734 13.744 -4.771 1.00 0.00 C ATOM 834 CD GLU A 51 -8.943 12.730 -3.969 1.00 0.00 C ATOM 835 OE1 GLU A 51 -9.553 11.999 -3.163 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.714 12.637 -4.164 1.00 0.00 O ATOM 0 H GLU A 51 -9.354 16.220 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.857 15.454 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.038 15.542 -3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.408 14.804 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.689 13.305 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.196 13.968 -5.692 1.00 0.00 H new ATOM 843 N LYS A 52 -10.449 18.208 -3.870 1.00 0.00 N ATOM 844 CA LYS A 52 -10.690 19.403 -3.059 1.00 0.00 C ATOM 845 C LYS A 52 -11.917 20.165 -3.544 1.00 0.00 C ATOM 846 O LYS A 52 -12.533 20.918 -2.793 1.00 0.00 O ATOM 847 CB LYS A 52 -9.472 20.322 -3.068 1.00 0.00 C ATOM 848 CG LYS A 52 -8.325 19.806 -2.222 1.00 0.00 C ATOM 849 CD LYS A 52 -7.307 20.895 -1.947 1.00 0.00 C ATOM 850 CE LYS A 52 -6.498 21.251 -3.181 1.00 0.00 C ATOM 851 NZ LYS A 52 -5.651 20.116 -3.633 1.00 0.00 N ATOM 0 H LYS A 52 -9.593 18.240 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.873 19.070 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.129 20.449 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.766 21.307 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.711 19.421 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.841 18.973 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.820 21.785 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.633 20.568 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.172 21.544 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.866 22.113 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.649 20.389 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.818 19.293 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.893 19.871 -4.614 1.00 0.00 H new ATOM 865 N SER A 53 -12.258 19.977 -4.805 1.00 0.00 N ATOM 866 CA SER A 53 -13.448 20.582 -5.368 1.00 0.00 C ATOM 867 C SER A 53 -14.391 19.505 -5.889 1.00 0.00 C ATOM 868 O SER A 53 -15.212 19.755 -6.765 1.00 0.00 O ATOM 869 CB SER A 53 -13.061 21.557 -6.483 1.00 0.00 C ATOM 870 OG SER A 53 -12.208 22.579 -5.985 1.00 0.00 O ATOM 0 H SER A 53 -11.724 19.407 -5.461 1.00 0.00 H new ATOM 0 HA SER A 53 -13.968 21.139 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.559 21.017 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.959 22.003 -6.911 1.00 0.00 H new ATOM 0 HG SER A 53 -12.749 23.334 -5.674 1.00 0.00 H new ATOM 876 N LEU A 54 -14.285 18.309 -5.314 1.00 0.00 N ATOM 877 CA LEU A 54 -15.111 17.175 -5.719 1.00 0.00 C ATOM 878 C LEU A 54 -16.580 17.480 -5.487 1.00 0.00 C ATOM 879 O LEU A 54 -17.447 17.061 -6.254 1.00 0.00 O ATOM 880 CB LEU A 54 -14.704 15.915 -4.947 1.00 0.00 C ATOM 881 CG LEU A 54 -15.430 14.636 -5.360 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.128 14.290 -6.807 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.044 13.492 -4.440 1.00 0.00 C ATOM 0 H LEU A 54 -13.630 18.100 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.956 16.998 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.632 15.762 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.879 16.087 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.504 14.803 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.655 13.376 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.456 15.105 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.055 14.141 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.568 12.587 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.968 13.325 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.318 13.741 -3.415 1.00 0.00 H new ATOM 895 N ASN A 55 -16.846 18.232 -4.430 1.00 0.00 N ATOM 896 CA ASN A 55 -18.196 18.669 -4.126 1.00 0.00 C ATOM 897 C ASN A 55 -18.680 19.649 -5.190 1.00 0.00 C ATOM 898 O ASN A 55 -19.855 19.664 -5.535 1.00 0.00 O ATOM 899 CB ASN A 55 -18.267 19.307 -2.730 1.00 0.00 C ATOM 900 CG ASN A 55 -17.406 20.554 -2.585 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.369 20.697 -3.235 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.828 21.459 -1.718 1.00 0.00 N ATOM 0 H ASN A 55 -16.140 18.552 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.850 17.797 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.303 19.563 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.955 18.572 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.289 22.312 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.692 21.304 -1.199 1.00 0.00 H new ATOM 909 N LYS A 56 -17.755 20.444 -5.725 1.00 0.00 N ATOM 910 CA LYS A 56 -18.065 21.394 -6.783 1.00 0.00 C ATOM 911 C LYS A 56 -18.266 20.695 -8.119 1.00 0.00 C ATOM 912 O LYS A 56 -19.199 21.010 -8.847 1.00 0.00 O ATOM 913 CB LYS A 56 -16.965 22.453 -6.887 1.00 0.00 C ATOM 914 CG LYS A 56 -17.089 23.519 -5.819 1.00 0.00 C ATOM 915 CD LYS A 56 -18.353 24.333 -6.034 1.00 0.00 C ATOM 916 CE LYS A 56 -18.740 25.120 -4.798 1.00 0.00 C ATOM 917 NZ LYS A 56 -20.009 25.864 -5.005 1.00 0.00 N ATOM 0 H LYS A 56 -16.776 20.446 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.003 21.887 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.991 21.971 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.006 22.921 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.110 23.055 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.218 24.173 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.205 25.019 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.170 23.667 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.848 24.442 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.943 25.820 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.555 25.872 -4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.796 26.842 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.565 25.400 -5.751 1.00 0.00 H new ATOM 931 N LEU A 57 -17.399 19.744 -8.442 1.00 0.00 N ATOM 932 CA LEU A 57 -17.566 18.961 -9.664 1.00 0.00 C ATOM 933 C LEU A 57 -18.900 18.223 -9.632 1.00 0.00 C ATOM 934 O LEU A 57 -19.587 18.112 -10.648 1.00 0.00 O ATOM 935 CB LEU A 57 -16.423 17.955 -9.853 1.00 0.00 C ATOM 936 CG LEU A 57 -15.160 18.483 -10.548 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.477 18.926 -11.966 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.534 19.623 -9.767 1.00 0.00 C ATOM 0 H LEU A 57 -16.582 19.497 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.548 19.653 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.139 17.572 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.802 17.110 -10.428 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.438 17.667 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.570 19.297 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.865 18.080 -12.533 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.224 19.719 -11.941 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.642 19.973 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.249 20.441 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.260 19.275 -8.771 1.00 0.00 H new ATOM 950 N TYR A 58 -19.270 17.740 -8.453 1.00 0.00 N ATOM 951 CA TYR A 58 -20.524 17.030 -8.283 1.00 0.00 C ATOM 952 C TYR A 58 -21.695 18.011 -8.292 1.00 0.00 C ATOM 953 O TYR A 58 -22.748 17.729 -8.862 1.00 0.00 O ATOM 954 CB TYR A 58 -20.511 16.227 -6.984 1.00 0.00 C ATOM 955 CG TYR A 58 -21.561 15.145 -6.947 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.412 13.995 -7.709 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.701 15.277 -6.167 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.369 13.003 -7.696 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.661 14.286 -6.145 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.494 13.152 -6.911 1.00 0.00 C ATOM 961 OH TYR A 58 -24.457 12.170 -6.892 1.00 0.00 O ATOM 0 H TYR A 58 -18.716 17.829 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.645 16.337 -9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.528 15.775 -6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.666 16.904 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.531 13.875 -8.323 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.839 16.166 -5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.239 12.115 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.541 14.398 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.181 12.434 -6.287 1.00 0.00 H new ATOM 971 N GLU A 59 -21.497 19.166 -7.665 1.00 0.00 N ATOM 972 CA GLU A 59 -22.500 20.227 -7.666 1.00 0.00 C ATOM 973 C GLU A 59 -22.727 20.723 -9.088 1.00 0.00 C ATOM 974 O GLU A 59 -23.824 21.130 -9.453 1.00 0.00 O ATOM 975 CB GLU A 59 -22.056 21.389 -6.767 1.00 0.00 C ATOM 976 CG GLU A 59 -23.069 22.520 -6.685 1.00 0.00 C ATOM 977 CD GLU A 59 -22.565 23.718 -5.902 1.00 0.00 C ATOM 978 OE1 GLU A 59 -21.758 24.496 -6.449 1.00 0.00 O ATOM 979 OE2 GLU A 59 -22.997 23.905 -4.745 1.00 0.00 O ATOM 0 H GLU A 59 -20.648 19.392 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.434 19.825 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.867 21.009 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.112 21.785 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.332 22.838 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.982 22.148 -6.220 1.00 0.00 H new ATOM 986 N TYR A 60 -21.676 20.681 -9.888 1.00 0.00 N ATOM 987 CA TYR A 60 -21.760 21.090 -11.276 1.00 0.00 C ATOM 988 C TYR A 60 -22.702 20.188 -12.066 1.00 0.00 C ATOM 989 O TYR A 60 -23.636 20.662 -12.701 1.00 0.00 O ATOM 990 CB TYR A 60 -20.374 21.065 -11.917 1.00 0.00 C ATOM 991 CG TYR A 60 -20.415 21.262 -13.410 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.664 22.509 -13.950 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.224 20.193 -14.279 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.718 22.694 -15.310 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.281 20.374 -15.649 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.528 21.631 -16.155 1.00 0.00 C ATOM 997 OH TYR A 60 -20.592 21.832 -17.510 1.00 0.00 O ATOM 0 H TYR A 60 -20.751 20.366 -9.597 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.157 22.105 -11.299 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -19.758 21.845 -11.469 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -19.893 20.112 -11.694 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -20.819 23.352 -13.292 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.029 19.209 -13.879 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.910 23.677 -15.714 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -20.133 19.537 -16.316 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.874 22.753 -17.691 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.443 18.889 -12.023 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.202 17.935 -12.823 1.00 0.00 C ATOM 1009 C ILE A 61 -24.666 17.865 -12.391 1.00 0.00 C ATOM 1010 O ILE A 61 -25.540 17.553 -13.201 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.568 16.524 -12.821 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.371 16.002 -11.397 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.242 16.553 -13.567 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.740 14.625 -11.334 1.00 0.00 C ATOM 0 H ILE A 61 -21.715 18.471 -11.444 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.168 18.308 -13.847 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.250 15.842 -13.329 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.746 16.704 -10.846 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.337 15.972 -10.893 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.800 15.557 -13.562 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.410 16.871 -14.596 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.564 17.253 -13.078 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.632 14.322 -10.293 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.375 13.910 -11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.759 14.652 -11.808 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.940 18.133 -11.118 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.320 18.152 -10.645 1.00 0.00 C ATOM 1028 C GLU A 62 -27.020 19.458 -11.041 1.00 0.00 C ATOM 1029 O GLU A 62 -28.204 19.455 -11.388 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.391 17.952 -9.125 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.727 19.051 -8.314 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.036 18.955 -6.837 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.425 18.114 -6.148 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.902 19.718 -6.359 1.00 0.00 O ATOM 0 H GLU A 62 -24.238 18.337 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.840 17.322 -11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.438 17.881 -8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.924 17.000 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.648 19.002 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.055 20.021 -8.687 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.283 20.566 -11.006 1.00 0.00 N ATOM 1042 CA GLN A 63 -26.850 21.876 -11.310 1.00 0.00 C ATOM 1043 C GLN A 63 -26.822 22.167 -12.800 1.00 0.00 C ATOM 1044 O GLN A 63 -25.757 22.337 -13.385 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.092 22.988 -10.587 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.261 22.988 -9.078 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.487 24.112 -8.414 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.889 24.625 -7.371 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.363 24.490 -9.009 1.00 0.00 N ATOM 0 H GLN A 63 -25.291 20.582 -10.770 1.00 0.00 H new ATOM 0 HA GLN A 63 -27.884 21.851 -10.967 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.031 22.899 -10.821 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.425 23.950 -10.977 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.319 23.083 -8.833 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.926 22.032 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.066 24.037 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.795 25.233 -8.602 1.00 0.00 H new ATOM 1058 N SER A 64 -28.004 22.247 -13.393 1.00 0.00 N ATOM 1059 CA SER A 64 -28.158 22.657 -14.770 1.00 0.00 C ATOM 1060 C SER A 64 -27.296 21.834 -15.728 1.00 0.00 C ATOM 1061 O SER A 64 -26.421 22.365 -16.408 1.00 0.00 O ATOM 1062 CB SER A 64 -27.831 24.137 -14.887 1.00 0.00 C ATOM 1063 OG SER A 64 -28.519 24.890 -13.898 1.00 0.00 O ATOM 0 H SER A 64 -28.884 22.027 -12.926 1.00 0.00 H new ATOM 0 HA SER A 64 -29.193 22.480 -15.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 -26.756 24.285 -14.780 1.00 0.00 H new ATOM 0 HB3 SER A 64 -28.105 24.496 -15.879 1.00 0.00 H new ATOM 0 HG SER A 64 -27.939 25.609 -13.572 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.559 20.534 -15.782 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.912 19.664 -16.757 1.00 0.00 C ATOM 1071 C LYS A 65 -27.325 20.104 -18.158 1.00 0.00 C ATOM 1072 O LYS A 65 -26.606 19.921 -19.142 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.327 18.216 -16.494 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.675 17.191 -17.406 1.00 0.00 C ATOM 1075 CD LYS A 65 -27.114 15.784 -17.037 1.00 0.00 C ATOM 1076 CE LYS A 65 -26.687 15.426 -15.624 1.00 0.00 C ATOM 1077 NZ LYS A 65 -27.305 14.161 -15.150 1.00 0.00 N ATOM 0 H LYS A 65 -28.215 20.059 -15.163 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.827 19.732 -16.671 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -27.088 17.966 -15.460 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -28.409 18.138 -16.598 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -26.940 17.399 -18.443 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.590 17.270 -17.332 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -28.198 15.704 -17.123 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -26.685 15.071 -17.741 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -25.602 15.333 -15.588 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -26.960 16.236 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -26.984 13.959 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -28.341 14.256 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -27.024 13.381 -15.778 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.503 20.700 -18.215 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.026 21.322 -19.414 1.00 0.00 C ATOM 1093 C ASN A 66 -29.688 22.631 -19.019 1.00 0.00 C ATOM 1094 O ASN A 66 -29.373 23.205 -17.977 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.040 20.392 -20.105 1.00 0.00 C ATOM 1096 CG ASN A 66 -31.193 19.970 -19.198 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -31.586 20.690 -18.282 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -31.760 18.805 -19.463 1.00 0.00 N ATOM 0 H ASN A 66 -29.132 20.765 -17.415 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.217 21.512 -20.119 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.444 20.896 -20.983 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -29.522 19.501 -20.459 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -32.547 18.481 -18.900 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -31.411 18.231 -20.230 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.597 23.110 -19.840 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.421 24.235 -19.455 1.00 0.00 C ATOM 1107 C CYS A 67 -32.746 24.134 -20.169 1.00 0.00 C ATOM 1108 O CYS A 67 -32.821 23.571 -21.265 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.739 25.575 -19.743 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.984 26.218 -21.427 1.00 0.00 S ATOM 0 H CYS A 67 -30.784 22.741 -20.772 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.580 24.199 -18.377 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.108 26.313 -19.031 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.669 25.467 -19.564 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.927 25.237 -22.279 1.00 0.00 H new ATOM 1115 N SER A 68 -33.765 24.706 -19.571 1.00 0.00 N ATOM 1116 CA SER A 68 -35.135 24.517 -20.038 1.00 0.00 C ATOM 1117 C SER A 68 -35.311 25.123 -21.428 1.00 0.00 C ATOM 1118 O SER A 68 -36.100 24.634 -22.233 1.00 0.00 O ATOM 1119 CB SER A 68 -36.127 25.133 -19.043 1.00 0.00 C ATOM 1120 OG SER A 68 -37.469 24.776 -19.351 1.00 0.00 O ATOM 0 H SER A 68 -33.679 25.311 -18.754 1.00 0.00 H new ATOM 0 HA SER A 68 -35.338 23.448 -20.105 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.884 24.801 -18.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.027 26.218 -19.054 1.00 0.00 H new ATOM 0 HG SER A 68 -37.564 23.801 -19.320 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.542 26.168 -21.710 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.572 26.832 -23.005 1.00 0.00 C ATOM 1128 C TYR A 69 -34.302 25.855 -24.158 1.00 0.00 C ATOM 1129 O TYR A 69 -34.886 25.980 -25.232 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.527 27.946 -23.016 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.728 28.952 -24.121 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -33.238 28.720 -25.397 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -34.420 30.131 -23.891 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.429 29.633 -26.413 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -34.618 31.050 -24.900 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.121 30.796 -26.161 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.314 31.708 -27.173 1.00 0.00 O ATOM 0 H TYR A 69 -33.882 26.577 -21.048 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.570 27.244 -23.154 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.550 28.463 -22.057 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.536 27.502 -23.116 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.697 27.808 -25.599 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -34.811 30.333 -22.905 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -33.038 29.437 -27.400 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -35.159 31.964 -24.704 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.822 32.473 -26.831 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.420 24.881 -23.933 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.032 23.956 -25.002 1.00 0.00 C ATOM 1149 C CYS A 70 -33.701 22.602 -24.839 1.00 0.00 C ATOM 1150 O CYS A 70 -33.586 21.738 -25.706 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.513 23.772 -25.062 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.759 23.175 -23.517 1.00 0.00 S ATOM 0 H CYS A 70 -32.966 24.712 -23.035 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.369 24.403 -25.938 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.277 23.069 -25.861 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.055 24.724 -25.330 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.641 23.207 -22.563 1.00 0.00 H new ATOM 1157 N SER A 71 -34.392 22.415 -23.731 1.00 0.00 N ATOM 1158 CA SER A 71 -35.066 21.161 -23.480 1.00 0.00 C ATOM 1159 C SER A 71 -36.560 21.342 -23.688 1.00 0.00 C ATOM 1160 O SER A 71 -37.040 22.468 -23.833 1.00 0.00 O ATOM 1161 CB SER A 71 -34.774 20.667 -22.059 1.00 0.00 C ATOM 1162 OG SER A 71 -35.116 19.298 -21.921 1.00 0.00 O ATOM 0 H SER A 71 -34.500 23.113 -22.995 1.00 0.00 H new ATOM 0 HA SER A 71 -34.696 20.410 -24.178 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.717 20.807 -21.830 1.00 0.00 H new ATOM 0 HB3 SER A 71 -35.337 21.261 -21.340 1.00 0.00 H new ATOM 0 HG SER A 71 -35.666 19.177 -21.119 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.292 20.248 -23.729 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.733 20.322 -23.846 1.00 0.00 C ATOM 1170 C GLU A 72 -39.347 20.244 -22.455 1.00 0.00 C ATOM 1171 O GLU A 72 -40.528 20.533 -22.255 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.247 19.194 -24.738 1.00 0.00 C ATOM 1173 CG GLU A 72 -40.671 19.400 -25.226 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.863 20.733 -25.918 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -40.049 21.078 -26.796 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -41.824 21.453 -25.578 1.00 0.00 O ATOM 0 H GLU A 72 -36.915 19.301 -23.683 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.020 21.267 -24.307 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -38.588 19.096 -25.600 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.194 18.255 -24.188 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.935 18.597 -25.914 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -41.354 19.333 -24.380 1.00 0.00 H new ATOM 1183 N ASP A 73 -38.514 19.862 -21.498 1.00 0.00 N ATOM 1184 CA ASP A 73 -38.922 19.769 -20.106 1.00 0.00 C ATOM 1185 C ASP A 73 -39.012 21.157 -19.487 1.00 0.00 C ATOM 1186 O ASP A 73 -38.006 21.860 -19.363 1.00 0.00 O ATOM 1187 CB ASP A 73 -37.924 18.925 -19.305 1.00 0.00 C ATOM 1188 CG ASP A 73 -37.701 17.547 -19.894 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.556 16.663 -19.695 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -36.664 17.342 -20.559 1.00 0.00 O ATOM 0 H ASP A 73 -37.540 19.609 -21.665 1.00 0.00 H new ATOM 0 HA ASP A 73 -39.901 19.292 -20.074 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -36.970 19.451 -19.256 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.284 18.822 -18.281 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.217 21.554 -19.116 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.422 22.816 -18.429 1.00 0.00 C ATOM 1197 C GLU A 74 -40.258 22.609 -16.925 1.00 0.00 C ATOM 1198 O GLU A 74 -39.959 23.543 -16.180 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.811 23.379 -18.750 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.066 24.757 -18.160 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.423 25.309 -18.531 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -43.530 25.968 -19.587 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -44.392 25.085 -17.775 1.00 0.00 O ATOM 0 H GLU A 74 -41.070 21.019 -19.280 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.679 23.537 -18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.931 23.429 -19.832 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -42.568 22.689 -18.377 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.985 24.703 -17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -41.293 25.444 -18.504 1.00 0.00 H new ATOM 1210 N ASN A 75 -40.437 21.364 -16.491 1.00 0.00 N ATOM 1211 CA ASN A 75 -40.271 21.011 -15.087 1.00 0.00 C ATOM 1212 C ASN A 75 -38.787 20.946 -14.740 1.00 0.00 C ATOM 1213 O ASN A 75 -38.195 19.870 -14.652 1.00 0.00 O ATOM 1214 CB ASN A 75 -40.957 19.674 -14.772 1.00 0.00 C ATOM 1215 CG ASN A 75 -40.959 19.346 -13.287 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -41.879 19.720 -12.559 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -39.932 18.649 -12.828 1.00 0.00 N ATOM 0 H ASN A 75 -40.697 20.583 -17.093 1.00 0.00 H new ATOM 0 HA ASN A 75 -40.744 21.781 -14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -41.985 19.705 -15.134 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -40.452 18.875 -15.315 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -39.883 18.403 -11.839 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -39.189 18.357 -13.463 1.00 0.00 H new ATOM 1224 N CYS A 76 -38.190 22.117 -14.605 1.00 0.00 N ATOM 1225 CA CYS A 76 -36.792 22.247 -14.246 1.00 0.00 C ATOM 1226 C CYS A 76 -36.537 23.670 -13.783 1.00 0.00 C ATOM 1227 O CYS A 76 -36.989 24.626 -14.414 1.00 0.00 O ATOM 1228 CB CYS A 76 -35.892 21.903 -15.436 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.133 21.822 -15.027 1.00 0.00 S ATOM 0 H CYS A 76 -38.666 23.009 -14.743 1.00 0.00 H new ATOM 0 HA CYS A 76 -36.558 21.550 -13.441 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -36.203 20.943 -15.849 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -36.039 22.649 -16.217 1.00 0.00 H new ATOM 0 HG CYS A 76 -33.597 22.996 -15.181 1.00 0.00 H new ATOM 1235 N ASN A 77 -35.834 23.816 -12.674 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.613 25.127 -12.095 1.00 0.00 C ATOM 1237 C ASN A 77 -34.138 25.484 -12.102 1.00 0.00 C ATOM 1238 O ASN A 77 -33.451 25.361 -11.089 1.00 0.00 O ATOM 1239 CB ASN A 77 -36.173 25.199 -10.669 1.00 0.00 C ATOM 1240 CG ASN A 77 -37.684 25.080 -10.630 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -38.229 23.980 -10.553 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -38.370 26.210 -10.676 1.00 0.00 N ATOM 0 H ASN A 77 -35.408 23.046 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.144 25.854 -12.710 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -35.734 24.402 -10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -35.875 26.143 -10.212 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -39.389 26.189 -10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -37.880 27.102 -10.740 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.648 25.883 -13.265 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.294 26.403 -13.382 1.00 0.00 C ATOM 1251 C ASN A 78 -32.230 27.782 -12.758 1.00 0.00 C ATOM 1252 O ASN A 78 -33.138 28.592 -12.954 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.861 26.493 -14.849 1.00 0.00 C ATOM 1254 CG ASN A 78 -31.376 25.173 -15.414 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -31.801 24.103 -14.990 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -30.463 25.245 -16.370 1.00 0.00 N ATOM 0 H ASN A 78 -34.168 25.857 -14.142 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.619 25.722 -12.864 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -32.700 26.850 -15.447 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.066 27.233 -14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -30.087 24.391 -16.782 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -30.136 26.155 -16.695 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.179 28.045 -11.991 1.00 0.00 N ATOM 1264 CA LEU A 79 -30.989 29.366 -11.416 1.00 0.00 C ATOM 1265 C LEU A 79 -30.813 30.372 -12.542 1.00 0.00 C ATOM 1266 O LEU A 79 -31.661 31.235 -12.753 1.00 0.00 O ATOM 1267 CB LEU A 79 -29.778 29.386 -10.476 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.553 30.706 -9.732 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -30.755 31.041 -8.860 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -28.290 30.631 -8.889 1.00 0.00 C ATOM 0 H LEU A 79 -30.454 27.368 -11.756 1.00 0.00 H new ATOM 0 HA LEU A 79 -31.865 29.631 -10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -29.895 28.589 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.884 29.157 -11.056 1.00 0.00 H new ATOM 0 HG LEU A 79 -29.432 31.500 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -30.576 31.982 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -31.643 31.135 -9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -30.908 30.246 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -28.144 31.577 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -28.386 29.825 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -27.433 30.437 -9.534 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.705 30.256 -13.257 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.513 31.008 -14.485 1.00 0.00 C ATOM 1284 C LEU A 80 -30.083 30.225 -15.663 1.00 0.00 C ATOM 1285 O LEU A 80 -29.391 29.397 -16.259 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.029 31.326 -14.730 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.365 32.271 -13.720 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.054 31.548 -12.416 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.100 32.873 -14.310 1.00 0.00 C ATOM 0 H LEU A 80 -28.925 29.648 -13.007 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.041 31.956 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.474 30.388 -14.738 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.931 31.763 -15.724 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.065 33.077 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.584 32.241 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.978 31.167 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.377 30.717 -12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.641 33.541 -13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.401 32.076 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.350 33.435 -15.210 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.352 30.453 -15.978 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.983 29.761 -17.090 1.00 0.00 C ATOM 1303 C GLU A 81 -31.648 30.478 -18.389 1.00 0.00 C ATOM 1304 O GLU A 81 -31.541 31.703 -18.424 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.500 29.654 -16.883 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.237 28.950 -18.018 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.610 27.620 -18.410 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.667 26.663 -17.615 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.062 27.522 -19.533 1.00 0.00 O ATOM 0 H GLU A 81 -31.959 31.107 -15.483 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.596 28.744 -17.143 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.692 29.119 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.911 30.657 -16.764 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.272 28.782 -17.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.258 29.605 -18.889 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.487 29.703 -19.451 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.949 30.229 -20.682 1.00 0.00 C ATOM 1318 C GLY A 82 -29.446 30.060 -20.724 1.00 0.00 C ATOM 1319 O GLY A 82 -28.810 30.287 -21.750 1.00 0.00 O ATOM 0 H GLY A 82 -31.723 28.711 -19.479 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.401 29.716 -21.531 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.204 31.285 -20.774 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.886 29.629 -19.600 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.448 29.443 -19.468 1.00 0.00 C ATOM 1325 C TYR A 83 -27.138 28.027 -18.989 1.00 0.00 C ATOM 1326 O TYR A 83 -28.032 27.313 -18.525 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.870 30.445 -18.460 1.00 0.00 C ATOM 1328 CG TYR A 83 -27.263 31.886 -18.703 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -26.553 32.687 -19.589 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -28.342 32.448 -18.032 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -26.911 34.004 -19.799 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -28.706 33.762 -18.240 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.987 34.536 -19.122 1.00 0.00 C ATOM 1334 OH TYR A 83 -28.345 35.847 -19.331 1.00 0.00 O ATOM 0 H TYR A 83 -29.414 29.400 -18.758 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.995 29.606 -20.446 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.192 30.159 -17.459 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.783 30.371 -18.478 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -25.709 32.274 -20.121 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -28.906 31.845 -17.335 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -26.350 34.615 -20.491 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -29.551 34.181 -17.714 1.00 0.00 H new ATOM 0 HH TYR A 83 -29.124 36.065 -18.778 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.883 27.616 -19.137 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.383 26.386 -18.528 1.00 0.00 C ATOM 1346 C HIS A 84 -24.111 26.710 -17.762 1.00 0.00 C ATOM 1347 O HIS A 84 -23.417 27.674 -18.085 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.044 25.293 -19.555 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.189 24.760 -20.364 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.183 23.506 -20.942 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.286 25.384 -20.848 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.245 23.425 -21.754 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.935 24.545 -21.734 1.00 0.00 N ATOM 0 H HIS A 84 -25.185 28.123 -19.680 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.176 26.004 -17.884 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.296 25.689 -20.242 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.582 24.459 -19.027 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.493 22.772 -20.780 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.605 26.381 -20.584 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.500 22.558 -22.345 1.00 0.00 H new ATOM 1361 N PRO A 85 -23.788 25.920 -16.746 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.565 26.096 -15.978 1.00 0.00 C ATOM 1363 C PRO A 85 -21.348 25.504 -16.688 1.00 0.00 C ATOM 1364 O PRO A 85 -21.484 24.754 -17.654 1.00 0.00 O ATOM 1365 CB PRO A 85 -22.867 25.341 -14.686 1.00 0.00 C ATOM 1366 CG PRO A 85 -23.817 24.263 -15.084 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.594 24.787 -16.262 1.00 0.00 C ATOM 0 HA PRO A 85 -22.312 27.145 -15.825 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -21.959 24.926 -14.250 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.308 25.999 -13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.280 23.352 -15.348 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.485 24.012 -14.260 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.714 24.025 -17.032 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.595 25.105 -15.970 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.159 25.865 -16.218 1.00 0.00 N ATOM 1376 CA LYS A 86 -18.923 25.271 -16.708 1.00 0.00 C ATOM 1377 C LYS A 86 -17.859 25.328 -15.619 1.00 0.00 C ATOM 1378 O LYS A 86 -17.841 26.264 -14.818 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.412 25.997 -17.956 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.419 25.170 -18.753 1.00 0.00 C ATOM 1381 CD LYS A 86 -16.832 25.935 -19.929 1.00 0.00 C ATOM 1382 CE LYS A 86 -15.623 26.756 -19.511 1.00 0.00 C ATOM 1383 NZ LYS A 86 -14.498 25.894 -19.047 1.00 0.00 N ATOM 0 H LYS A 86 -20.026 26.571 -15.494 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.130 24.234 -16.975 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.258 26.254 -18.593 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.941 26.934 -17.658 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.612 24.846 -18.096 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.913 24.270 -19.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.544 25.235 -20.713 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.591 26.593 -20.352 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.290 27.366 -20.351 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.908 27.441 -18.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.593 26.356 -19.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.572 25.750 -18.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.543 24.974 -19.530 1.00 0.00 H new ATOM 1397 N LEU A 87 -16.981 24.336 -15.582 1.00 0.00 N ATOM 1398 CA LEU A 87 -15.901 24.334 -14.603 1.00 0.00 C ATOM 1399 C LEU A 87 -14.786 25.268 -15.041 1.00 0.00 C ATOM 1400 O LEU A 87 -14.459 25.346 -16.231 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.304 22.937 -14.385 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.217 21.880 -13.764 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.034 22.459 -12.620 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.106 21.253 -14.820 1.00 0.00 C ATOM 0 H LEU A 87 -16.993 23.532 -16.209 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.340 24.672 -13.664 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.959 22.562 -15.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.424 23.040 -13.750 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.589 21.094 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.673 21.682 -12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.363 22.834 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -17.653 23.276 -12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.748 20.503 -14.357 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -17.723 22.024 -15.281 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.487 20.780 -15.582 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.220 25.980 -14.081 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.046 26.810 -14.316 1.00 0.00 C ATOM 1418 C VAL A 88 -12.066 26.649 -13.158 1.00 0.00 C ATOM 1419 O VAL A 88 -12.476 26.536 -11.999 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.411 28.303 -14.482 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.234 28.525 -15.745 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.155 28.817 -13.257 1.00 0.00 C ATOM 0 H VAL A 88 -14.559 26.000 -13.119 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.588 26.477 -15.248 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.484 28.868 -14.579 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.478 29.583 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.659 28.207 -16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.155 27.944 -15.686 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.402 29.870 -13.396 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.072 28.244 -13.122 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.524 28.706 -12.375 1.00 0.00 H new ATOM 1432 N VAL A 89 -10.780 26.612 -13.463 1.00 0.00 N ATOM 1433 CA VAL A 89 -9.771 26.420 -12.432 1.00 0.00 C ATOM 1434 C VAL A 89 -9.319 27.759 -11.845 1.00 0.00 C ATOM 1435 O VAL A 89 -9.001 28.703 -12.576 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.549 25.628 -12.967 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -7.923 26.316 -14.169 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.516 25.426 -11.871 1.00 0.00 C ATOM 0 H VAL A 89 -10.410 26.711 -14.408 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.233 25.832 -11.639 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.907 24.651 -13.291 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.070 25.734 -14.518 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.660 26.394 -14.968 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.589 27.314 -13.884 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.668 24.868 -12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.175 26.396 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.963 24.868 -11.048 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.327 27.849 -10.523 1.00 0.00 N ATOM 1449 CA ASN A 90 -8.839 29.025 -9.828 1.00 0.00 C ATOM 1450 C ASN A 90 -7.906 28.606 -8.702 1.00 0.00 C ATOM 1451 O ASN A 90 -8.351 28.238 -7.613 1.00 0.00 O ATOM 1452 CB ASN A 90 -9.997 29.863 -9.271 1.00 0.00 C ATOM 1453 CG ASN A 90 -10.881 30.444 -10.362 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -10.559 31.473 -10.956 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.019 29.814 -10.604 1.00 0.00 N ATOM 0 H ASN A 90 -9.670 27.112 -9.907 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.293 29.642 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.603 29.243 -8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.594 30.675 -8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -12.665 30.179 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.250 28.963 -10.091 1.00 0.00 H new ATOM 1462 N GLY A 91 -6.612 28.623 -8.982 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.635 28.222 -7.995 1.00 0.00 C ATOM 1464 C GLY A 91 -5.644 26.726 -7.773 1.00 0.00 C ATOM 1465 O GLY A 91 -5.301 25.957 -8.670 1.00 0.00 O ATOM 0 H GLY A 91 -6.221 28.909 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.642 28.536 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.840 28.731 -7.053 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.040 26.313 -6.579 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.146 24.898 -6.254 1.00 0.00 C ATOM 1471 C ARG A 92 -7.601 24.507 -6.070 1.00 0.00 C ATOM 1472 O ARG A 92 -7.911 23.431 -5.556 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.339 24.580 -4.995 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.847 24.766 -5.192 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.319 23.842 -6.275 1.00 0.00 C ATOM 1476 NE ARG A 92 -1.994 24.236 -6.736 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.359 23.657 -7.753 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.872 22.576 -8.343 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.197 24.146 -8.166 1.00 0.00 N ATOM 0 H ARG A 92 -6.294 26.940 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.736 24.318 -7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.676 25.221 -4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.536 23.551 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.639 25.802 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.326 24.568 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.281 22.822 -5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.010 23.841 -7.118 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.525 25.001 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.756 22.188 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.380 22.138 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.206 24.962 -7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.294 23.706 -8.945 1.00 0.00 H new ATOM 1493 N SER A 93 -8.488 25.385 -6.507 1.00 0.00 N ATOM 1494 CA SER A 93 -9.911 25.143 -6.405 1.00 0.00 C ATOM 1495 C SER A 93 -10.563 25.242 -7.778 1.00 0.00 C ATOM 1496 O SER A 93 -10.115 25.995 -8.644 1.00 0.00 O ATOM 1497 CB SER A 93 -10.549 26.149 -5.441 1.00 0.00 C ATOM 1498 OG SER A 93 -11.950 25.950 -5.320 1.00 0.00 O ATOM 0 H SER A 93 -8.242 26.276 -6.938 1.00 0.00 H new ATOM 0 HA SER A 93 -10.068 24.137 -6.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.083 26.058 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.355 27.162 -5.793 1.00 0.00 H new ATOM 0 HG SER A 93 -12.321 26.608 -4.696 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.609 24.460 -7.974 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.357 24.470 -9.216 1.00 0.00 C ATOM 1506 C ILE A 94 -13.741 25.072 -8.988 1.00 0.00 C ATOM 1507 O ILE A 94 -14.480 24.640 -8.102 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.466 23.040 -9.790 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.057 22.501 -10.075 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.324 23.023 -11.048 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.005 21.027 -10.417 1.00 0.00 C ATOM 0 H ILE A 94 -11.962 23.803 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.828 25.087 -9.943 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.952 22.395 -9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.625 23.068 -10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.430 22.681 -9.202 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.385 22.005 -11.433 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.325 23.382 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.876 23.670 -11.803 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.972 20.733 -10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.404 20.446 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.602 20.839 -11.309 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.073 26.083 -9.780 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.317 26.821 -9.609 1.00 0.00 C ATOM 1525 C ASP A 95 -16.279 26.525 -10.738 1.00 0.00 C ATOM 1526 O ASP A 95 -15.933 25.847 -11.709 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.063 28.329 -9.553 1.00 0.00 C ATOM 1528 CG ASP A 95 -14.451 28.775 -8.245 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -15.209 29.012 -7.281 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -13.212 28.909 -8.182 1.00 0.00 O ATOM 0 H ASP A 95 -13.494 26.412 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.755 26.498 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.402 28.612 -10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.004 28.857 -9.706 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.481 27.065 -10.617 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.536 26.815 -11.579 1.00 0.00 C ATOM 1537 C ILE A 96 -19.102 28.126 -12.107 1.00 0.00 C ATOM 1538 O ILE A 96 -19.826 28.837 -11.404 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.666 25.988 -10.936 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.089 24.710 -10.325 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.738 25.656 -11.962 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.049 23.980 -9.418 1.00 0.00 C ATOM 0 H ILE A 96 -17.749 27.685 -9.853 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.109 26.253 -12.410 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.129 26.578 -10.145 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.783 24.040 -11.129 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.191 24.962 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.527 25.072 -11.488 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.159 26.579 -12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.297 25.079 -12.775 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.568 23.085 -9.024 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.336 24.631 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.937 23.696 -9.982 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.748 28.450 -13.341 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.234 29.656 -13.991 1.00 0.00 C ATOM 1556 C GLU A 97 -20.445 29.327 -14.854 1.00 0.00 C ATOM 1557 O GLU A 97 -20.936 28.202 -14.827 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.128 30.276 -14.846 1.00 0.00 C ATOM 1559 CG GLU A 97 -16.920 30.721 -14.040 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.245 31.822 -13.052 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -17.207 33.007 -13.445 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -17.530 31.517 -11.876 1.00 0.00 O ATOM 0 H GLU A 97 -18.120 27.889 -13.916 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.529 30.376 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.809 29.551 -15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.532 31.133 -15.384 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.513 29.865 -13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.143 31.068 -14.721 1.00 0.00 H new ATOM 1569 N TYR A 98 -20.925 30.306 -15.610 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.070 30.103 -16.489 1.00 0.00 C ATOM 1571 C TYR A 98 -21.828 30.726 -17.857 1.00 0.00 C ATOM 1572 O TYR A 98 -21.201 31.781 -17.973 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.335 30.706 -15.875 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.195 29.719 -15.107 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.929 29.414 -13.776 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.290 29.105 -15.712 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.726 28.531 -13.072 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.087 28.219 -15.012 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.802 27.939 -13.696 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.604 27.071 -12.995 1.00 0.00 O ATOM 0 H TYR A 98 -20.539 31.250 -15.632 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.204 29.028 -16.610 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.048 31.516 -15.205 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -23.934 31.148 -16.671 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.085 29.875 -13.284 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.519 29.325 -16.744 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.506 28.306 -12.039 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.930 27.749 -15.496 1.00 0.00 H new ATOM 0 HH TYR A 98 -26.610 27.324 -12.048 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.324 30.061 -18.888 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.293 30.586 -20.243 1.00 0.00 C ATOM 1592 C TYR A 99 -23.685 30.488 -20.848 1.00 0.00 C ATOM 1593 O TYR A 99 -24.492 29.659 -20.414 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.275 29.830 -21.113 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.508 28.336 -21.202 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.472 27.808 -22.052 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -20.748 27.456 -20.446 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.675 26.446 -22.141 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -20.946 26.092 -20.529 1.00 0.00 C ATOM 1600 CZ TYR A 99 -21.910 25.592 -21.376 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.104 24.235 -21.468 1.00 0.00 O ATOM 0 H TYR A 99 -22.759 29.142 -18.809 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.981 31.630 -20.207 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.295 30.248 -22.119 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.276 30.006 -20.715 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -23.072 28.475 -22.653 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -19.990 27.844 -19.782 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.429 26.052 -22.806 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -20.347 25.420 -19.932 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.484 23.774 -20.865 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.970 31.323 -21.832 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.282 31.328 -22.460 1.00 0.00 C ATOM 1613 C GLU A 100 -25.469 30.083 -23.323 1.00 0.00 C ATOM 1614 O GLU A 100 -24.552 29.658 -24.023 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.469 32.595 -23.299 1.00 0.00 C ATOM 1616 CG GLU A 100 -26.853 32.725 -23.915 1.00 0.00 C ATOM 1617 CD GLU A 100 -27.050 34.033 -24.652 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -26.411 34.230 -25.703 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -27.853 34.870 -24.185 1.00 0.00 O ATOM 0 H GLU A 100 -23.314 32.005 -22.213 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.039 31.318 -21.675 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -25.277 33.466 -22.672 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.725 32.605 -24.095 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -27.017 31.897 -24.605 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -27.604 32.640 -23.130 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.654 29.492 -23.232 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.001 28.309 -24.014 1.00 0.00 C ATOM 1628 C CYS A 101 -26.816 28.565 -25.514 1.00 0.00 C ATOM 1629 O CYS A 101 -27.442 29.462 -26.081 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.455 27.922 -23.730 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.002 26.383 -24.529 1.00 0.00 S ATOM 0 H CYS A 101 -27.400 29.817 -22.617 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.337 27.495 -23.725 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.586 27.822 -22.653 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.103 28.735 -24.056 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.738 25.374 -23.753 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.986 27.741 -26.178 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.633 27.931 -27.593 1.00 0.00 C ATOM 1638 C PRO A 102 -26.783 27.630 -28.555 1.00 0.00 C ATOM 1639 O PRO A 102 -26.677 27.886 -29.754 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.480 26.948 -27.808 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.681 25.889 -26.781 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.302 26.572 -25.593 1.00 0.00 C ATOM 0 HA PRO A 102 -25.377 28.970 -27.800 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.500 26.531 -28.815 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.515 27.439 -27.685 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.329 25.098 -27.159 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.733 25.423 -26.511 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.002 25.916 -25.075 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.548 26.872 -24.865 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.882 27.092 -28.033 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.050 26.800 -28.859 1.00 0.00 C ATOM 1652 C VAL A 103 -29.721 28.097 -29.312 1.00 0.00 C ATOM 1653 O VAL A 103 -30.474 28.115 -30.286 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.077 25.910 -28.120 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.914 26.722 -27.143 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.964 25.173 -29.111 1.00 0.00 C ATOM 0 H VAL A 103 -27.988 26.851 -27.048 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.697 26.248 -29.730 1.00 0.00 H new ATOM 0 HB VAL A 103 -29.521 25.171 -27.543 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.625 26.066 -26.641 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.262 27.185 -26.402 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.455 27.497 -27.685 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -31.678 24.553 -28.569 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -31.502 25.895 -29.725 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -30.348 24.541 -29.751 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.433 29.187 -28.601 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.939 30.496 -28.982 1.00 0.00 C ATOM 1668 C LYS A 104 -29.327 30.912 -30.310 1.00 0.00 C ATOM 1669 O LYS A 104 -29.904 31.701 -31.057 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.631 31.537 -27.904 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.332 31.271 -26.579 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.074 32.379 -25.568 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.603 33.718 -26.056 1.00 0.00 C ATOM 1674 NZ LYS A 104 -30.309 34.822 -25.103 1.00 0.00 N ATOM 0 H LYS A 104 -28.854 29.185 -27.762 1.00 0.00 H new ATOM 0 HA LYS A 104 -31.022 30.435 -29.088 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -28.554 31.566 -27.736 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -29.923 32.522 -28.268 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -31.405 31.177 -26.748 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.989 30.320 -26.171 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.547 32.124 -24.620 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.003 32.457 -25.379 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -30.161 33.950 -27.025 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -31.680 33.648 -26.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -30.136 35.701 -25.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -31.120 34.955 -24.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -29.465 34.583 -24.544 1.00 0.00 H new