USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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: B 131 CYS SG : rot -160:sc= -0.419 USER MOD Set 1.2: B 135 MET CE :methyl -123:sc= -2.15 (180deg=-3.19!) USER MOD Set 2.1: B 127 ASN : amide:sc= -0.138 X(o=0.086,f=0.34) USER MOD Set 2.2: B 130 ASN : amide:sc= 0.203 K(o=0.086,f=-7.8!) USER MOD Set 2.3: B 161 ASN : amide:sc= 0.0222 K(o=0.086,f=-7.8) USER MOD Set 3.1: A 31 CYS SG : rot 180:sc= -0.598 USER MOD Set 3.2: A 35 MET CE :methyl -128:sc= -2.12 (180deg=-2.91!) USER MOD Set 4.1: A 27 ASN : amide:sc= 0.54 K(o=-3.6,f=-4.2) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 173:sc= 0.761 (180deg=-0.0801) USER MOD Set 4.3: A 30 ASN : amide:sc= -3.45! C(o=-3.6!,f=-6.8!) USER MOD Set 4.4: A 61 ASN : amide:sc= -1.45 K(o=-3.6,f=-4.2) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0.671 (180deg=0.615) USER MOD Single : A 23 MET CE :methyl 153:sc= -0.687 (180deg=-2.13) USER MOD Single : A 33 SER OG : rot -147:sc= 0.258 USER MOD Single : A 36 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.595 F(o=-1.9,f=-0.59) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.08! C(o=-3.1!,f=-7.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.146 K(o=-0.15,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 65:sc= 1.1 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.023) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.45 K(o=0.45,f=-1.5!) USER MOD Single : A 71 THR OG1 : rot 45:sc= 1.24 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0859 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 122 LYS NZ :NH3+ -173:sc= 0.248 (180deg=-0.0596) USER MOD Single : B 123 MET CE :methyl 140:sc= -1.9 (180deg=-4.9!) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 86:sc= 0.151 USER MOD Single : B 136 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.32 F(o=-1.1,f=0.32) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 ASN :FLIP amide:sc= -6.93! C(o=-8!,f=-6.9!) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.48) USER MOD Single : B 153 THR OG1 : rot 75:sc= 1.22 USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 158 ASN : amide:sc= -0.475 X(o=-0.48,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.37 K(o=0.37,f=-1.5!) USER MOD Single : B 171 THR OG1 : rot 95:sc= 1.33 USER MOD Single : B 172 SER OG : rot 46:sc= 0.448 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.715 1.947 8.639 1.00 0.00 N ATOM 218 CA GLY A 15 8.453 2.563 8.246 1.00 0.00 C ATOM 219 C GLY A 15 7.737 1.764 7.160 1.00 0.00 C ATOM 220 O GLY A 15 6.694 1.151 7.416 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.805 2.649 9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.640 3.575 7.887 1.00 0.00 H new ATOM 224 N PRO A 16 8.278 1.739 5.943 1.00 0.00 N ATOM 225 CA PRO A 16 7.704 0.976 4.844 1.00 0.00 C ATOM 226 C PRO A 16 7.869 -0.574 5.037 1.00 0.00 C ATOM 227 O PRO A 16 7.018 -1.356 4.587 1.00 0.00 O ATOM 228 CB PRO A 16 8.483 1.523 3.621 1.00 0.00 C ATOM 229 CG PRO A 16 9.790 1.907 4.185 1.00 0.00 C ATOM 230 CD PRO A 16 9.473 2.500 5.519 1.00 0.00 C ATOM 0 HA PRO A 16 6.625 1.094 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.589 0.767 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.975 2.376 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.447 1.043 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.301 2.626 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.298 2.380 6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.268 3.568 5.448 1.00 0.00 H new ATOM 238 N GLN A 17 8.934 -1.005 5.743 1.00 0.00 N ATOM 239 CA GLN A 17 9.165 -2.443 6.009 1.00 0.00 C ATOM 240 C GLN A 17 8.046 -3.012 6.880 1.00 0.00 C ATOM 241 O GLN A 17 7.437 -4.034 6.549 1.00 0.00 O ATOM 242 CB GLN A 17 10.518 -2.660 6.689 1.00 0.00 C ATOM 243 CG GLN A 17 10.829 -4.108 7.041 1.00 0.00 C ATOM 244 CD GLN A 17 12.165 -4.257 7.734 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.609 -3.367 8.457 1.00 0.00 O ATOM 246 NE2 GLN A 17 12.821 -5.364 7.523 1.00 0.00 N ATOM 0 H GLN A 17 9.643 -0.386 6.137 1.00 0.00 H new ATOM 0 HA GLN A 17 9.169 -2.966 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.303 -2.283 6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.551 -2.064 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.042 -4.500 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.825 -4.709 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.426 -6.084 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.729 -5.510 7.963 1.00 0.00 H new ATOM 255 N ASP A 18 7.763 -2.330 7.977 1.00 0.00 N ATOM 256 CA ASP A 18 6.666 -2.709 8.876 1.00 0.00 C ATOM 257 C ASP A 18 5.359 -2.632 8.179 1.00 0.00 C ATOM 258 O ASP A 18 4.402 -3.318 8.549 1.00 0.00 O ATOM 259 CB ASP A 18 6.597 -1.868 10.145 1.00 0.00 C ATOM 260 CG ASP A 18 7.226 -2.535 11.332 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.582 -3.437 11.931 1.00 0.00 O ATOM 262 OD2 ASP A 18 8.334 -2.157 11.723 1.00 0.00 O ATOM 0 H ASP A 18 8.279 -1.502 8.275 1.00 0.00 H new ATOM 0 HA ASP A 18 6.879 -3.736 9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.093 -0.914 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.554 -1.648 10.371 1.00 0.00 H new ATOM 267 N PHE A 19 5.283 -1.754 7.191 1.00 0.00 N ATOM 268 CA PHE A 19 4.066 -1.567 6.451 1.00 0.00 C ATOM 269 C PHE A 19 3.722 -2.853 5.724 1.00 0.00 C ATOM 270 O PHE A 19 2.566 -3.216 5.620 1.00 0.00 O ATOM 271 CB PHE A 19 4.192 -0.407 5.479 1.00 0.00 C ATOM 272 CG PHE A 19 2.881 0.119 5.044 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.072 0.758 5.967 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.432 -0.025 3.739 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.849 1.250 5.615 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.195 0.470 3.385 1.00 0.00 C ATOM 277 CZ PHE A 19 0.409 1.109 4.330 1.00 0.00 C ATOM 0 H PHE A 19 6.058 -1.163 6.890 1.00 0.00 H new ATOM 0 HA PHE A 19 3.260 -1.322 7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.763 0.394 5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.757 -0.731 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.415 0.869 6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.048 -0.522 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.232 1.748 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.839 0.360 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.558 1.498 4.049 1.00 0.00 H new ATOM 287 N LEU A 20 4.746 -3.536 5.255 1.00 0.00 N ATOM 288 CA LEU A 20 4.584 -4.839 4.646 1.00 0.00 C ATOM 289 C LEU A 20 4.227 -5.860 5.694 1.00 0.00 C ATOM 290 O LEU A 20 3.243 -6.549 5.573 1.00 0.00 O ATOM 291 CB LEU A 20 5.866 -5.288 3.973 1.00 0.00 C ATOM 292 CG LEU A 20 6.366 -4.442 2.838 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.682 -4.991 2.341 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.345 -4.407 1.718 1.00 0.00 C ATOM 0 H LEU A 20 5.710 -3.205 5.285 1.00 0.00 H new ATOM 0 HA LEU A 20 3.789 -4.758 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.648 -5.337 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.718 -6.302 3.601 1.00 0.00 H new ATOM 0 HG LEU A 20 6.518 -3.422 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.045 -4.377 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.411 -4.978 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.542 -6.015 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.721 -3.790 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.168 -5.420 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.411 -3.986 2.090 1.00 0.00 H new ATOM 306 N LEU A 21 5.022 -5.908 6.748 1.00 0.00 N ATOM 307 CA LEU A 21 4.896 -6.918 7.811 1.00 0.00 C ATOM 308 C LEU A 21 3.512 -6.973 8.464 1.00 0.00 C ATOM 309 O LEU A 21 3.128 -7.999 9.021 1.00 0.00 O ATOM 310 CB LEU A 21 5.968 -6.715 8.874 1.00 0.00 C ATOM 311 CG LEU A 21 7.415 -6.815 8.392 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.381 -6.462 9.510 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.703 -8.212 7.886 1.00 0.00 C ATOM 0 H LEU A 21 5.783 -5.246 6.902 1.00 0.00 H new ATOM 0 HA LEU A 21 5.036 -7.880 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.823 -5.734 9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.816 -7.454 9.661 1.00 0.00 H new ATOM 0 HG LEU A 21 7.552 -6.104 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.405 -6.540 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.192 -5.442 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.240 -7.150 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.737 -8.270 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.545 -8.930 8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.035 -8.444 7.057 1.00 0.00 H new ATOM 325 N LYS A 22 2.764 -5.899 8.387 1.00 0.00 N ATOM 326 CA LYS A 22 1.448 -5.869 8.990 1.00 0.00 C ATOM 327 C LYS A 22 0.380 -6.317 8.017 1.00 0.00 C ATOM 328 O LYS A 22 -0.774 -6.515 8.401 1.00 0.00 O ATOM 329 CB LYS A 22 1.119 -4.495 9.508 1.00 0.00 C ATOM 330 CG LYS A 22 1.139 -3.440 8.447 1.00 0.00 C ATOM 331 CD LYS A 22 0.554 -2.169 8.946 1.00 0.00 C ATOM 332 CE LYS A 22 1.336 -1.578 10.131 1.00 0.00 C ATOM 333 NZ LYS A 22 2.778 -1.384 9.855 1.00 0.00 N ATOM 0 H LYS A 22 3.039 -5.037 7.916 1.00 0.00 H new ATOM 0 HA LYS A 22 1.466 -6.567 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.132 -4.516 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.832 -4.229 10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.164 -3.268 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.580 -3.784 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.529 -1.442 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.478 -2.344 9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.895 -0.619 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.225 -2.236 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.254 -1.048 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.199 -2.287 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.895 -0.681 9.098 1.00 0.00 H new ATOM 347 N MET A 23 0.754 -6.490 6.769 1.00 0.00 N ATOM 348 CA MET A 23 -0.193 -6.887 5.755 1.00 0.00 C ATOM 349 C MET A 23 -0.429 -8.394 5.878 1.00 0.00 C ATOM 350 O MET A 23 0.525 -9.149 6.146 1.00 0.00 O ATOM 351 CB MET A 23 0.330 -6.603 4.338 1.00 0.00 C ATOM 352 CG MET A 23 0.754 -5.174 4.049 1.00 0.00 C ATOM 353 SD MET A 23 1.243 -4.983 2.316 1.00 0.00 S ATOM 354 CE MET A 23 1.780 -3.279 2.242 1.00 0.00 C ATOM 0 H MET A 23 1.708 -6.362 6.433 1.00 0.00 H new ATOM 0 HA MET A 23 -1.109 -6.316 5.906 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.182 -7.257 4.151 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.447 -6.880 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.067 -4.494 4.276 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.585 -4.899 4.698 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.515 -3.163 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.923 -2.636 2.042 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.230 -2.998 3.194 1.00 0.00 H new ATOM 364 N PRO A 24 -1.674 -8.867 5.730 1.00 0.00 N ATOM 365 CA PRO A 24 -1.971 -10.300 5.785 1.00 0.00 C ATOM 366 C PRO A 24 -1.290 -11.044 4.635 1.00 0.00 C ATOM 367 O PRO A 24 -1.501 -10.727 3.467 1.00 0.00 O ATOM 368 CB PRO A 24 -3.497 -10.379 5.653 1.00 0.00 C ATOM 369 CG PRO A 24 -3.913 -9.069 5.076 1.00 0.00 C ATOM 370 CD PRO A 24 -2.880 -8.058 5.498 1.00 0.00 C ATOM 0 HA PRO A 24 -1.607 -10.762 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.793 -11.205 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.967 -10.549 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.975 -9.128 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.902 -8.785 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.716 -7.307 4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.185 -7.526 6.399 1.00 0.00 H new ATOM 378 N GLY A 25 -0.449 -11.990 4.972 1.00 0.00 N ATOM 379 CA GLY A 25 0.259 -12.726 3.972 1.00 0.00 C ATOM 380 C GLY A 25 1.742 -12.459 4.064 1.00 0.00 C ATOM 381 O GLY A 25 2.558 -13.187 3.515 1.00 0.00 O ATOM 0 H GLY A 25 -0.243 -12.263 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.068 -13.792 4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.105 -12.448 2.983 1.00 0.00 H new ATOM 385 N VAL A 26 2.098 -11.419 4.760 1.00 0.00 N ATOM 386 CA VAL A 26 3.471 -11.048 4.875 1.00 0.00 C ATOM 387 C VAL A 26 4.082 -11.543 6.176 1.00 0.00 C ATOM 388 O VAL A 26 3.468 -11.479 7.242 1.00 0.00 O ATOM 389 CB VAL A 26 3.670 -9.521 4.724 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.142 -9.137 4.845 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.113 -9.050 3.390 1.00 0.00 C ATOM 0 H VAL A 26 1.448 -10.811 5.259 1.00 0.00 H new ATOM 0 HA VAL A 26 3.995 -11.535 4.053 1.00 0.00 H new ATOM 0 HB VAL A 26 3.128 -9.030 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.247 -8.058 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.518 -9.440 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.714 -9.639 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.258 -7.974 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.632 -9.560 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.048 -9.278 3.339 1.00 0.00 H new ATOM 401 N ASN A 27 5.265 -12.080 6.042 1.00 0.00 N ATOM 402 CA ASN A 27 6.103 -12.520 7.136 1.00 0.00 C ATOM 403 C ASN A 27 7.436 -11.961 6.794 1.00 0.00 C ATOM 404 O ASN A 27 7.673 -11.692 5.610 1.00 0.00 O ATOM 405 CB ASN A 27 6.233 -14.051 7.197 1.00 0.00 C ATOM 406 CG ASN A 27 4.923 -14.789 7.292 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.399 -15.029 8.368 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.411 -15.197 6.164 1.00 0.00 N ATOM 0 H ASN A 27 5.694 -12.231 5.129 1.00 0.00 H new ATOM 0 HA ASN A 27 5.695 -12.201 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.764 -14.393 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.847 -14.316 8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.545 -15.735 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.877 -14.978 5.284 1.00 0.00 H new ATOM 415 N ALA A 28 8.323 -11.836 7.751 1.00 0.00 N ATOM 416 CA ALA A 28 9.632 -11.207 7.535 1.00 0.00 C ATOM 417 C ALA A 28 10.438 -11.906 6.449 1.00 0.00 C ATOM 418 O ALA A 28 11.159 -11.257 5.687 1.00 0.00 O ATOM 419 CB ALA A 28 10.422 -11.132 8.836 1.00 0.00 C ATOM 0 H ALA A 28 8.172 -12.162 8.705 1.00 0.00 H new ATOM 0 HA ALA A 28 9.443 -10.192 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.388 -10.662 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.867 -10.542 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.578 -12.138 9.226 1.00 0.00 H new ATOM 425 N LYS A 29 10.225 -13.201 6.316 1.00 0.00 N ATOM 426 CA LYS A 29 10.965 -14.011 5.359 1.00 0.00 C ATOM 427 C LYS A 29 10.579 -13.648 3.924 1.00 0.00 C ATOM 428 O LYS A 29 11.425 -13.407 3.042 1.00 0.00 O ATOM 429 CB LYS A 29 10.728 -15.508 5.654 1.00 0.00 C ATOM 430 CG LYS A 29 9.253 -15.902 5.720 1.00 0.00 C ATOM 431 CD LYS A 29 9.065 -17.365 6.057 1.00 0.00 C ATOM 432 CE LYS A 29 7.593 -17.691 6.284 1.00 0.00 C ATOM 433 NZ LYS A 29 6.762 -17.421 5.092 1.00 0.00 N ATOM 0 H LYS A 29 9.539 -13.722 6.863 1.00 0.00 H new ATOM 0 HA LYS A 29 12.030 -13.806 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.218 -16.102 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.204 -15.761 6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.749 -15.291 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.779 -15.688 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.457 -17.981 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.637 -17.612 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.495 -18.741 6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.220 -17.104 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.796 -17.768 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.736 -16.397 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.169 -17.907 4.268 1.00 0.00 H new ATOM 447 N ASN A 30 9.320 -13.508 3.716 1.00 0.00 N ATOM 448 CA ASN A 30 8.831 -13.233 2.413 1.00 0.00 C ATOM 449 C ASN A 30 8.753 -11.749 2.157 1.00 0.00 C ATOM 450 O ASN A 30 8.603 -11.323 1.044 1.00 0.00 O ATOM 451 CB ASN A 30 7.547 -14.021 2.102 1.00 0.00 C ATOM 452 CG ASN A 30 6.427 -13.925 3.137 1.00 0.00 C ATOM 453 OD1 ASN A 30 6.413 -14.686 4.113 1.00 0.00 O ATOM 454 ND2 ASN A 30 5.479 -13.046 2.933 1.00 0.00 N ATOM 0 H ASN A 30 8.603 -13.580 4.438 1.00 0.00 H new ATOM 0 HA ASN A 30 9.553 -13.603 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.158 -13.677 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.811 -15.071 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.700 -12.974 3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.519 -12.433 2.119 1.00 0.00 H new ATOM 461 N CYS A 31 8.904 -10.986 3.217 1.00 0.00 N ATOM 462 CA CYS A 31 9.020 -9.539 3.169 1.00 0.00 C ATOM 463 C CYS A 31 10.382 -9.157 2.631 1.00 0.00 C ATOM 464 O CYS A 31 10.480 -8.333 1.779 1.00 0.00 O ATOM 465 CB CYS A 31 8.835 -8.936 4.559 1.00 0.00 C ATOM 466 SG CYS A 31 9.037 -7.150 4.676 1.00 0.00 S ATOM 0 H CYS A 31 8.951 -11.362 4.164 1.00 0.00 H new ATOM 0 HA CYS A 31 8.241 -9.150 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.838 -9.193 4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.547 -9.408 5.236 1.00 0.00 H new ATOM 0 HG CYS A 31 8.852 -6.772 5.906 1.00 0.00 H new ATOM 472 N ARG A 32 11.440 -9.786 3.136 1.00 0.00 N ATOM 473 CA ARG A 32 12.791 -9.488 2.659 1.00 0.00 C ATOM 474 C ARG A 32 12.944 -9.900 1.194 1.00 0.00 C ATOM 475 O ARG A 32 13.552 -9.180 0.381 1.00 0.00 O ATOM 476 CB ARG A 32 13.853 -10.139 3.561 1.00 0.00 C ATOM 477 CG ARG A 32 13.725 -11.635 3.698 1.00 0.00 C ATOM 478 CD ARG A 32 14.682 -12.397 2.794 1.00 0.00 C ATOM 479 NE ARG A 32 14.417 -13.837 2.834 1.00 0.00 N ATOM 480 CZ ARG A 32 15.016 -14.752 2.073 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.041 -14.404 1.306 1.00 0.00 N ATOM 482 NH2 ARG A 32 14.615 -16.024 2.112 1.00 0.00 N ATOM 0 H ARG A 32 11.392 -10.497 3.866 1.00 0.00 H new ATOM 0 HA ARG A 32 12.950 -8.411 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.841 -9.906 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.794 -9.690 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.910 -11.917 4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.702 -11.930 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.585 -12.035 1.770 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.709 -12.205 3.104 1.00 0.00 H new ATOM 0 HE ARG A 32 13.717 -14.166 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.369 -13.438 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.501 -15.102 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.848 -16.298 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.076 -16.722 1.528 1.00 0.00 H new ATOM 496 N SER A 33 12.369 -11.048 0.852 1.00 0.00 N ATOM 497 CA SER A 33 12.351 -11.495 -0.527 1.00 0.00 C ATOM 498 C SER A 33 11.552 -10.483 -1.361 1.00 0.00 C ATOM 499 O SER A 33 11.974 -10.052 -2.452 1.00 0.00 O ATOM 500 CB SER A 33 11.707 -12.878 -0.609 1.00 0.00 C ATOM 501 OG SER A 33 11.824 -13.437 -1.905 1.00 0.00 O ATOM 0 H SER A 33 11.913 -11.680 1.510 1.00 0.00 H new ATOM 0 HA SER A 33 13.367 -11.563 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.177 -13.541 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.654 -12.805 -0.338 1.00 0.00 H new ATOM 0 HG SER A 33 11.034 -13.983 -2.098 1.00 0.00 H new ATOM 507 N LEU A 34 10.441 -10.040 -0.788 1.00 0.00 N ATOM 508 CA LEU A 34 9.535 -9.106 -1.451 1.00 0.00 C ATOM 509 C LEU A 34 10.247 -7.819 -1.695 1.00 0.00 C ATOM 510 O LEU A 34 10.130 -7.240 -2.717 1.00 0.00 O ATOM 511 CB LEU A 34 8.343 -8.791 -0.578 1.00 0.00 C ATOM 512 CG LEU A 34 7.194 -8.078 -1.276 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.344 -9.035 -2.092 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.380 -7.285 -0.305 1.00 0.00 C ATOM 0 H LEU A 34 10.141 -10.316 0.147 1.00 0.00 H new ATOM 0 HA LEU A 34 9.204 -9.569 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.967 -9.723 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.678 -8.175 0.256 1.00 0.00 H new ATOM 0 HG LEU A 34 7.628 -7.372 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.536 -8.484 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.962 -9.512 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.923 -9.798 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.567 -6.787 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.967 -7.951 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.012 -6.538 0.175 1.00 0.00 H new ATOM 526 N MET A 35 11.028 -7.449 -0.742 1.00 0.00 N ATOM 527 CA MET A 35 11.756 -6.210 -0.705 1.00 0.00 C ATOM 528 C MET A 35 12.788 -6.171 -1.799 1.00 0.00 C ATOM 529 O MET A 35 13.157 -5.123 -2.287 1.00 0.00 O ATOM 530 CB MET A 35 12.388 -6.103 0.651 1.00 0.00 C ATOM 531 CG MET A 35 12.904 -4.754 1.014 1.00 0.00 C ATOM 532 SD MET A 35 13.370 -4.687 2.745 1.00 0.00 S ATOM 533 CE MET A 35 11.816 -5.167 3.548 1.00 0.00 C ATOM 0 H MET A 35 11.191 -8.028 0.082 1.00 0.00 H new ATOM 0 HA MET A 35 11.090 -5.363 -0.872 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.655 -6.406 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.212 -6.815 0.706 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.766 -4.511 0.392 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.142 -4.002 0.810 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.555 -4.429 4.306 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.022 -5.218 2.803 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.936 -6.143 4.018 1.00 0.00 H new ATOM 543 N HIS A 36 13.268 -7.330 -2.159 1.00 0.00 N ATOM 544 CA HIS A 36 14.202 -7.434 -3.248 1.00 0.00 C ATOM 545 C HIS A 36 13.480 -7.507 -4.590 1.00 0.00 C ATOM 546 O HIS A 36 14.076 -7.258 -5.623 1.00 0.00 O ATOM 547 CB HIS A 36 15.142 -8.625 -3.069 1.00 0.00 C ATOM 548 CG HIS A 36 16.175 -8.444 -1.989 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.433 -8.992 -2.058 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.120 -7.792 -0.800 1.00 0.00 C ATOM 551 CE1 HIS A 36 18.107 -8.691 -0.971 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.335 -7.963 -0.192 1.00 0.00 N ATOM 0 H HIS A 36 13.028 -8.216 -1.715 1.00 0.00 H new ATOM 0 HA HIS A 36 14.810 -6.529 -3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.548 -9.510 -2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.651 -8.816 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.277 -7.242 -0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.122 -8.990 -0.754 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.599 -7.587 0.718 1.00 0.00 H new ATOM 561 N HIS A 37 12.202 -7.852 -4.570 1.00 0.00 N ATOM 562 CA HIS A 37 11.421 -7.942 -5.816 1.00 0.00 C ATOM 563 C HIS A 37 10.559 -6.699 -6.053 1.00 0.00 C ATOM 564 O HIS A 37 10.147 -6.412 -7.184 1.00 0.00 O ATOM 565 CB HIS A 37 10.503 -9.168 -5.803 1.00 0.00 C ATOM 566 CG HIS A 37 11.166 -10.498 -6.031 1.00 0.00 C ATOM 567 ND1 HIS A 37 11.829 -11.331 -5.191 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.105 -11.156 -7.232 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.137 -12.456 -5.904 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 11.688 -12.320 -7.127 1.00 0.00 N flip ATOM 0 H HIS A 37 11.680 -8.074 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 37 12.150 -8.026 -6.622 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.990 -9.201 -4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.738 -9.031 -6.568 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.055 -11.152 -4.213 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.644 -10.770 -8.129 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.665 -13.317 -5.521 1.00 0.00 H new ATOM 579 N VAL A 38 10.303 -5.970 -5.005 1.00 0.00 N ATOM 580 CA VAL A 38 9.362 -4.868 -5.021 1.00 0.00 C ATOM 581 C VAL A 38 10.023 -3.597 -4.516 1.00 0.00 C ATOM 582 O VAL A 38 10.813 -3.630 -3.589 1.00 0.00 O ATOM 583 CB VAL A 38 8.116 -5.187 -4.114 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.111 -4.065 -4.112 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.435 -6.466 -4.548 1.00 0.00 C ATOM 0 H VAL A 38 10.745 -6.120 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 38 9.034 -4.726 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 38 8.499 -5.307 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.269 -4.331 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.580 -3.157 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.755 -3.894 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.578 -6.659 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.097 -6.366 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.138 -7.295 -4.475 1.00 0.00 H new ATOM 595 N LYS A 39 9.687 -2.490 -5.142 1.00 0.00 N ATOM 596 CA LYS A 39 10.189 -1.196 -4.747 1.00 0.00 C ATOM 597 C LYS A 39 9.506 -0.751 -3.452 1.00 0.00 C ATOM 598 O LYS A 39 10.142 -0.667 -2.418 1.00 0.00 O ATOM 599 CB LYS A 39 9.938 -0.198 -5.864 1.00 0.00 C ATOM 600 CG LYS A 39 10.498 1.180 -5.622 1.00 0.00 C ATOM 601 CD LYS A 39 10.317 2.065 -6.842 1.00 0.00 C ATOM 602 CE LYS A 39 8.859 2.415 -7.103 1.00 0.00 C ATOM 603 NZ LYS A 39 8.725 3.309 -8.272 1.00 0.00 N ATOM 0 H LYS A 39 9.055 -2.464 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 39 11.262 -1.253 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.366 -0.591 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.863 -0.115 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.001 1.632 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.557 1.107 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.888 2.983 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.727 1.560 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.288 1.502 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.435 2.897 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.721 3.531 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.251 4.189 -8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.109 2.837 -9.116 1.00 0.00 H new ATOM 617 N ASN A 40 8.222 -0.464 -3.533 1.00 0.00 N ATOM 618 CA ASN A 40 7.412 -0.118 -2.396 1.00 0.00 C ATOM 619 C ASN A 40 5.968 -0.476 -2.777 1.00 0.00 C ATOM 620 O ASN A 40 5.779 -1.155 -3.800 1.00 0.00 O ATOM 621 CB ASN A 40 7.596 1.388 -2.028 1.00 0.00 C ATOM 622 CG ASN A 40 6.851 1.810 -0.748 1.00 0.00 C ATOM 623 OD1 ASN A 40 5.733 2.236 -0.799 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.457 1.670 0.380 1.00 0.00 N ATOM 0 H ASN A 40 7.707 -0.467 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 40 7.701 -0.666 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.659 1.595 -1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.247 2.001 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.984 1.923 1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.409 1.306 0.406 1.00 0.00 H new ATOM 631 N ILE A 41 4.998 -0.003 -2.008 1.00 0.00 N ATOM 632 CA ILE A 41 3.561 -0.237 -2.145 1.00 0.00 C ATOM 633 C ILE A 41 3.119 -0.243 -3.609 1.00 0.00 C ATOM 634 O ILE A 41 2.407 -1.145 -4.028 1.00 0.00 O ATOM 635 CB ILE A 41 2.814 0.917 -1.454 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.127 0.966 0.041 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.298 0.820 -1.674 1.00 0.00 C ATOM 638 CD1 ILE A 41 2.549 2.178 0.737 1.00 0.00 C ATOM 0 H ILE A 41 5.207 0.600 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 41 3.338 -1.207 -1.701 1.00 0.00 H new ATOM 0 HB ILE A 41 3.166 1.842 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.739 0.065 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.208 0.959 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.804 1.651 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.082 0.861 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.931 -0.121 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.809 2.149 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.956 3.084 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.464 2.176 0.630 1.00 0.00 H new ATOM 650 N ALA A 42 3.563 0.773 -4.375 1.00 0.00 N ATOM 651 CA ALA A 42 3.189 0.892 -5.796 1.00 0.00 C ATOM 652 C ALA A 42 3.461 -0.384 -6.602 1.00 0.00 C ATOM 653 O ALA A 42 2.577 -0.895 -7.258 1.00 0.00 O ATOM 654 CB ALA A 42 3.874 2.076 -6.424 1.00 0.00 C ATOM 0 H ALA A 42 4.175 1.516 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 42 2.110 1.046 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.586 2.149 -7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.578 2.986 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.954 1.952 -6.352 1.00 0.00 H new ATOM 660 N GLU A 43 4.662 -0.912 -6.493 1.00 0.00 N ATOM 661 CA GLU A 43 5.043 -2.108 -7.238 1.00 0.00 C ATOM 662 C GLU A 43 4.376 -3.326 -6.649 1.00 0.00 C ATOM 663 O GLU A 43 4.047 -4.245 -7.364 1.00 0.00 O ATOM 664 CB GLU A 43 6.554 -2.291 -7.238 1.00 0.00 C ATOM 665 CG GLU A 43 7.348 -1.149 -7.854 1.00 0.00 C ATOM 666 CD GLU A 43 6.929 -0.822 -9.255 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.153 -1.650 -10.154 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.393 0.286 -9.481 1.00 0.00 O ATOM 0 H GLU A 43 5.398 -0.535 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 43 4.712 -1.984 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.887 -2.429 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.792 -3.209 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.235 -0.261 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.407 -1.409 -7.850 1.00 0.00 H new ATOM 675 N LEU A 44 4.170 -3.315 -5.347 1.00 0.00 N ATOM 676 CA LEU A 44 3.488 -4.404 -4.667 1.00 0.00 C ATOM 677 C LEU A 44 2.069 -4.535 -5.182 1.00 0.00 C ATOM 678 O LEU A 44 1.629 -5.615 -5.554 1.00 0.00 O ATOM 679 CB LEU A 44 3.489 -4.178 -3.151 1.00 0.00 C ATOM 680 CG LEU A 44 2.715 -5.192 -2.314 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.185 -6.607 -2.604 1.00 0.00 C ATOM 682 CD2 LEU A 44 2.890 -4.881 -0.855 1.00 0.00 C ATOM 0 H LEU A 44 4.467 -2.558 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 44 4.022 -5.331 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.523 -4.170 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.079 -3.188 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 44 1.659 -5.124 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.618 -7.311 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.030 -6.833 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.245 -6.694 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.336 -5.607 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.948 -4.931 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.513 -3.879 -0.649 1.00 0.00 H new ATOM 694 N ALA A 45 1.387 -3.418 -5.258 1.00 0.00 N ATOM 695 CA ALA A 45 0.039 -3.389 -5.707 1.00 0.00 C ATOM 696 C ALA A 45 -0.038 -3.514 -7.216 1.00 0.00 C ATOM 697 O ALA A 45 -1.107 -3.744 -7.775 1.00 0.00 O ATOM 698 CB ALA A 45 -0.650 -2.138 -5.215 1.00 0.00 C ATOM 0 H ALA A 45 1.765 -2.505 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.484 -4.248 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.682 -2.129 -5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.638 -2.120 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.129 -1.261 -5.598 1.00 0.00 H new ATOM 704 N ALA A 46 1.098 -3.358 -7.870 1.00 0.00 N ATOM 705 CA ALA A 46 1.170 -3.497 -9.303 1.00 0.00 C ATOM 706 C ALA A 46 1.392 -4.946 -9.684 1.00 0.00 C ATOM 707 O ALA A 46 1.035 -5.365 -10.791 1.00 0.00 O ATOM 708 CB ALA A 46 2.272 -2.626 -9.881 1.00 0.00 C ATOM 0 H ALA A 46 1.987 -3.133 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 46 0.220 -3.165 -9.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.304 -2.750 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.073 -1.581 -9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.230 -2.920 -9.453 1.00 0.00 H new ATOM 714 N LEU A 47 1.979 -5.713 -8.781 1.00 0.00 N ATOM 715 CA LEU A 47 2.272 -7.095 -9.060 1.00 0.00 C ATOM 716 C LEU A 47 1.029 -7.997 -9.092 1.00 0.00 C ATOM 717 O LEU A 47 -0.066 -7.620 -8.641 1.00 0.00 O ATOM 718 CB LEU A 47 3.309 -7.672 -8.104 1.00 0.00 C ATOM 719 CG LEU A 47 4.711 -7.088 -8.200 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.615 -7.755 -7.199 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.278 -7.245 -9.598 1.00 0.00 C ATOM 0 H LEU A 47 2.259 -5.397 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 47 2.690 -7.087 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.949 -7.533 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.373 -8.746 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 47 4.650 -6.022 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.616 -7.331 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.227 -7.593 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.657 -8.825 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.280 -6.818 -9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.325 -8.303 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.637 -6.727 -10.311 1.00 0.00 H new ATOM 733 N SER A 48 1.216 -9.177 -9.638 1.00 0.00 N ATOM 734 CA SER A 48 0.182 -10.173 -9.735 1.00 0.00 C ATOM 735 C SER A 48 0.339 -11.225 -8.625 1.00 0.00 C ATOM 736 O SER A 48 1.409 -11.344 -8.010 1.00 0.00 O ATOM 737 CB SER A 48 0.250 -10.810 -11.113 1.00 0.00 C ATOM 738 OG SER A 48 0.188 -9.809 -12.116 1.00 0.00 O ATOM 0 H SER A 48 2.108 -9.473 -10.033 1.00 0.00 H new ATOM 0 HA SER A 48 -0.795 -9.709 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.174 -11.380 -11.214 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.574 -11.513 -11.238 1.00 0.00 H new ATOM 0 HG SER A 48 0.234 -10.229 -13.000 1.00 0.00 H new ATOM 744 N GLN A 49 -0.713 -12.008 -8.401 1.00 0.00 N ATOM 745 CA GLN A 49 -0.752 -13.000 -7.335 1.00 0.00 C ATOM 746 C GLN A 49 0.260 -14.103 -7.598 1.00 0.00 C ATOM 747 O GLN A 49 0.893 -14.623 -6.674 1.00 0.00 O ATOM 748 CB GLN A 49 -2.200 -13.543 -7.191 1.00 0.00 C ATOM 749 CG GLN A 49 -2.437 -14.527 -6.039 1.00 0.00 C ATOM 750 CD GLN A 49 -2.375 -15.989 -6.454 1.00 0.00 C ATOM 751 OE1 GLN A 49 -1.687 -16.358 -7.390 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.113 -16.819 -5.774 1.00 0.00 N ATOM 0 H GLN A 49 -1.566 -11.970 -8.958 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.472 -12.540 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.874 -12.696 -7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.478 -14.033 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.693 -14.348 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.413 -14.326 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.678 -16.479 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.126 -17.809 -6.020 1.00 0.00 H new ATOM 761 N ASP A 50 0.455 -14.412 -8.857 1.00 0.00 N ATOM 762 CA ASP A 50 1.398 -15.456 -9.265 1.00 0.00 C ATOM 763 C ASP A 50 2.819 -15.019 -8.972 1.00 0.00 C ATOM 764 O ASP A 50 3.661 -15.822 -8.561 1.00 0.00 O ATOM 765 CB ASP A 50 1.246 -15.775 -10.736 1.00 0.00 C ATOM 766 CG ASP A 50 2.169 -16.880 -11.201 1.00 0.00 C ATOM 767 OD1 ASP A 50 1.891 -18.069 -10.933 1.00 0.00 O ATOM 768 OD2 ASP A 50 3.171 -16.585 -11.865 1.00 0.00 O ATOM 0 H ASP A 50 -0.026 -13.957 -9.633 1.00 0.00 H new ATOM 0 HA ASP A 50 1.177 -16.358 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.214 -16.064 -10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.443 -14.875 -11.319 1.00 0.00 H new ATOM 773 N GLU A 51 3.059 -13.730 -9.136 1.00 0.00 N ATOM 774 CA GLU A 51 4.349 -13.134 -8.842 1.00 0.00 C ATOM 775 C GLU A 51 4.605 -13.237 -7.358 1.00 0.00 C ATOM 776 O GLU A 51 5.686 -13.621 -6.932 1.00 0.00 O ATOM 777 CB GLU A 51 4.386 -11.669 -9.275 1.00 0.00 C ATOM 778 CG GLU A 51 4.181 -11.460 -10.760 1.00 0.00 C ATOM 779 CD GLU A 51 5.222 -12.164 -11.581 1.00 0.00 C ATOM 780 OE1 GLU A 51 6.317 -11.618 -11.768 1.00 0.00 O ATOM 781 OE2 GLU A 51 4.967 -13.279 -12.051 1.00 0.00 O ATOM 0 H GLU A 51 2.363 -13.067 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 51 5.122 -13.668 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.616 -11.121 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.346 -11.240 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.192 -11.821 -11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.206 -10.393 -10.982 1.00 0.00 H new ATOM 788 N LEU A 52 3.578 -12.943 -6.573 1.00 0.00 N ATOM 789 CA LEU A 52 3.667 -13.051 -5.131 1.00 0.00 C ATOM 790 C LEU A 52 3.909 -14.500 -4.730 1.00 0.00 C ATOM 791 O LEU A 52 4.663 -14.768 -3.823 1.00 0.00 O ATOM 792 CB LEU A 52 2.404 -12.519 -4.441 1.00 0.00 C ATOM 793 CG LEU A 52 2.022 -11.068 -4.725 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.773 -10.685 -3.956 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.169 -10.117 -4.411 1.00 0.00 C ATOM 0 H LEU A 52 2.671 -12.627 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 52 4.507 -12.437 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.566 -13.153 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.532 -12.632 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 52 1.809 -10.982 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.517 -9.648 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.051 -11.332 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.954 -10.799 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.862 -9.093 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.435 -10.203 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.032 -10.373 -5.026 1.00 0.00 H new ATOM 807 N THR A 53 3.295 -15.433 -5.445 1.00 0.00 N ATOM 808 CA THR A 53 3.481 -16.849 -5.161 1.00 0.00 C ATOM 809 C THR A 53 4.947 -17.234 -5.407 1.00 0.00 C ATOM 810 O THR A 53 5.491 -18.060 -4.713 1.00 0.00 O ATOM 811 CB THR A 53 2.570 -17.733 -6.036 1.00 0.00 C ATOM 812 OG1 THR A 53 1.208 -17.240 -5.987 1.00 0.00 O ATOM 813 CG2 THR A 53 2.578 -19.179 -5.537 1.00 0.00 C ATOM 0 H THR A 53 2.666 -15.236 -6.223 1.00 0.00 H new ATOM 0 HA THR A 53 3.214 -17.017 -4.118 1.00 0.00 H new ATOM 0 HB THR A 53 2.948 -17.698 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.167 -16.350 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.929 -19.785 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.594 -19.572 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.217 -19.211 -4.509 1.00 0.00 H new ATOM 821 N SER A 54 5.572 -16.582 -6.364 1.00 0.00 N ATOM 822 CA SER A 54 6.964 -16.827 -6.665 1.00 0.00 C ATOM 823 C SER A 54 7.855 -16.231 -5.560 1.00 0.00 C ATOM 824 O SER A 54 8.715 -16.920 -4.997 1.00 0.00 O ATOM 825 CB SER A 54 7.325 -16.250 -8.049 1.00 0.00 C ATOM 826 OG SER A 54 8.677 -16.514 -8.397 1.00 0.00 O ATOM 0 H SER A 54 5.133 -15.873 -6.951 1.00 0.00 H new ATOM 0 HA SER A 54 7.138 -17.903 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.666 -16.678 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.154 -15.174 -8.049 1.00 0.00 H new ATOM 0 HG SER A 54 8.867 -16.135 -9.280 1.00 0.00 H new ATOM 832 N ILE A 55 7.607 -14.968 -5.238 1.00 0.00 N ATOM 833 CA ILE A 55 8.373 -14.224 -4.234 1.00 0.00 C ATOM 834 C ILE A 55 8.260 -14.859 -2.856 1.00 0.00 C ATOM 835 O ILE A 55 9.273 -15.168 -2.204 1.00 0.00 O ATOM 836 CB ILE A 55 7.847 -12.772 -4.119 1.00 0.00 C ATOM 837 CG1 ILE A 55 7.978 -12.047 -5.463 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.591 -12.015 -3.010 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.307 -10.687 -5.508 1.00 0.00 C ATOM 0 H ILE A 55 6.861 -14.421 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 55 9.413 -14.238 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 55 6.790 -12.805 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.036 -11.925 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.551 -12.676 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.208 -10.997 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.438 -12.522 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.656 -11.988 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.448 -10.244 -6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.241 -10.800 -5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.749 -10.038 -4.752 1.00 0.00 H new ATOM 851 N LEU A 56 7.035 -15.035 -2.420 1.00 0.00 N ATOM 852 CA LEU A 56 6.764 -15.509 -1.094 1.00 0.00 C ATOM 853 C LEU A 56 6.963 -17.009 -1.047 1.00 0.00 C ATOM 854 O LEU A 56 7.379 -17.556 -0.036 1.00 0.00 O ATOM 855 CB LEU A 56 5.323 -15.148 -0.669 1.00 0.00 C ATOM 856 CG LEU A 56 4.816 -13.724 -1.037 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.466 -13.476 -0.442 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.767 -12.634 -0.613 1.00 0.00 C ATOM 0 H LEU A 56 6.202 -14.852 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 56 7.452 -15.029 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.645 -15.875 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.249 -15.266 0.412 1.00 0.00 H new ATOM 0 HG LEU A 56 4.751 -13.693 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.128 -12.475 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.759 -14.212 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.526 -13.560 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.359 -11.664 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.902 -12.669 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.730 -12.780 -1.103 1.00 0.00 H new ATOM 870 N GLY A 57 6.658 -17.657 -2.153 1.00 0.00 N ATOM 871 CA GLY A 57 6.817 -19.088 -2.271 1.00 0.00 C ATOM 872 C GLY A 57 5.653 -19.851 -1.701 1.00 0.00 C ATOM 873 O GLY A 57 5.738 -21.060 -1.488 1.00 0.00 O ATOM 0 H GLY A 57 6.294 -17.206 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.938 -19.350 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.730 -19.391 -1.759 1.00 0.00 H new ATOM 877 N ASN A 58 4.561 -19.151 -1.435 1.00 0.00 N ATOM 878 CA ASN A 58 3.373 -19.786 -0.903 1.00 0.00 C ATOM 879 C ASN A 58 2.196 -19.115 -1.508 1.00 0.00 C ATOM 880 O ASN A 58 2.107 -17.871 -1.466 1.00 0.00 O ATOM 881 CB ASN A 58 3.224 -19.613 0.627 1.00 0.00 C ATOM 882 CG ASN A 58 4.507 -19.506 1.384 1.00 0.00 C ATOM 883 OD1 ASN A 58 5.132 -20.496 1.758 1.00 0.00 O ATOM 884 ND2 ASN A 58 4.858 -18.293 1.674 1.00 0.00 N ATOM 0 H ASN A 58 4.476 -18.145 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 58 3.447 -20.850 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.632 -18.718 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.659 -20.459 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.690 -18.124 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.302 -17.507 1.337 1.00 0.00 H new ATOM 891 N ALA A 59 1.274 -19.888 -2.027 1.00 0.00 N ATOM 892 CA ALA A 59 0.057 -19.337 -2.584 1.00 0.00 C ATOM 893 C ALA A 59 -0.802 -18.776 -1.474 1.00 0.00 C ATOM 894 O ALA A 59 -1.598 -17.892 -1.699 1.00 0.00 O ATOM 895 CB ALA A 59 -0.717 -20.375 -3.364 1.00 0.00 C ATOM 0 H ALA A 59 1.341 -20.905 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 59 0.331 -18.540 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.624 -19.925 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.102 -20.748 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.984 -21.201 -2.705 1.00 0.00 H new ATOM 901 N ALA A 60 -0.585 -19.269 -0.254 1.00 0.00 N ATOM 902 CA ALA A 60 -1.339 -18.818 0.907 1.00 0.00 C ATOM 903 C ALA A 60 -1.064 -17.362 1.148 1.00 0.00 C ATOM 904 O ALA A 60 -1.956 -16.541 1.178 1.00 0.00 O ATOM 905 CB ALA A 60 -0.922 -19.589 2.135 1.00 0.00 C ATOM 0 H ALA A 60 0.112 -19.985 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.400 -18.980 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.494 -19.241 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.111 -20.651 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.141 -19.433 2.319 1.00 0.00 H new ATOM 911 N ASN A 61 0.203 -17.056 1.266 1.00 0.00 N ATOM 912 CA ASN A 61 0.666 -15.712 1.544 1.00 0.00 C ATOM 913 C ASN A 61 0.314 -14.795 0.377 1.00 0.00 C ATOM 914 O ASN A 61 -0.144 -13.679 0.572 1.00 0.00 O ATOM 915 CB ASN A 61 2.188 -15.703 1.766 1.00 0.00 C ATOM 916 CG ASN A 61 2.708 -16.368 3.053 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.780 -16.029 3.528 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.984 -17.287 3.615 1.00 0.00 N ATOM 0 H ASN A 61 0.955 -17.739 1.171 1.00 0.00 H new ATOM 0 HA ASN A 61 0.177 -15.354 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.658 -16.197 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.526 -14.667 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.308 -17.740 4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.091 -17.556 3.202 1.00 0.00 H new ATOM 925 N ALA A 62 0.488 -15.315 -0.837 1.00 0.00 N ATOM 926 CA ALA A 62 0.229 -14.571 -2.070 1.00 0.00 C ATOM 927 C ALA A 62 -1.240 -14.216 -2.204 1.00 0.00 C ATOM 928 O ALA A 62 -1.578 -13.103 -2.587 1.00 0.00 O ATOM 929 CB ALA A 62 0.666 -15.400 -3.260 1.00 0.00 C ATOM 0 H ALA A 62 0.814 -16.269 -0.994 1.00 0.00 H new ATOM 0 HA ALA A 62 0.797 -13.642 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.474 -14.847 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.732 -15.615 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.108 -16.336 -3.276 1.00 0.00 H new ATOM 935 N LYS A 63 -2.105 -15.152 -1.850 1.00 0.00 N ATOM 936 CA LYS A 63 -3.527 -14.972 -1.972 1.00 0.00 C ATOM 937 C LYS A 63 -3.997 -13.959 -0.967 1.00 0.00 C ATOM 938 O LYS A 63 -4.779 -13.077 -1.294 1.00 0.00 O ATOM 939 CB LYS A 63 -4.231 -16.327 -1.789 1.00 0.00 C ATOM 940 CG LYS A 63 -5.749 -16.291 -1.769 1.00 0.00 C ATOM 941 CD LYS A 63 -6.296 -17.698 -1.644 1.00 0.00 C ATOM 942 CE LYS A 63 -7.812 -17.729 -1.664 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.329 -19.112 -1.659 1.00 0.00 N ATOM 0 H LYS A 63 -1.832 -16.058 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.775 -14.595 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.914 -16.990 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.885 -16.770 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.096 -15.681 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.123 -15.826 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.911 -18.309 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.938 -18.144 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.199 -17.193 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.175 -17.208 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.369 -19.094 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.980 -19.616 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.003 -19.601 -0.801 1.00 0.00 H new ATOM 957 N GLN A 64 -3.460 -14.063 0.237 1.00 0.00 N ATOM 958 CA GLN A 64 -3.803 -13.158 1.321 1.00 0.00 C ATOM 959 C GLN A 64 -3.419 -11.730 0.997 1.00 0.00 C ATOM 960 O GLN A 64 -4.221 -10.793 1.172 1.00 0.00 O ATOM 961 CB GLN A 64 -3.119 -13.584 2.602 1.00 0.00 C ATOM 962 CG GLN A 64 -3.576 -14.897 3.128 1.00 0.00 C ATOM 963 CD GLN A 64 -2.962 -15.186 4.464 1.00 0.00 C ATOM 964 OE1 GLN A 64 -3.505 -14.850 5.502 1.00 0.00 O ATOM 965 NE2 GLN A 64 -1.817 -15.794 4.442 1.00 0.00 N ATOM 0 H GLN A 64 -2.775 -14.776 0.490 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.884 -13.203 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.044 -13.629 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.288 -12.822 3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.662 -14.899 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.311 -15.686 2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.397 -16.058 3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.336 -16.008 5.316 1.00 0.00 H new ATOM 974 N LEU A 65 -2.216 -11.573 0.500 1.00 0.00 N ATOM 975 CA LEU A 65 -1.673 -10.280 0.191 1.00 0.00 C ATOM 976 C LEU A 65 -2.376 -9.663 -1.018 1.00 0.00 C ATOM 977 O LEU A 65 -2.817 -8.512 -0.962 1.00 0.00 O ATOM 978 CB LEU A 65 -0.162 -10.404 -0.025 1.00 0.00 C ATOM 979 CG LEU A 65 0.616 -9.116 -0.281 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.378 -8.114 0.838 1.00 0.00 C ATOM 981 CD2 LEU A 65 2.098 -9.432 -0.397 1.00 0.00 C ATOM 0 H LEU A 65 -1.584 -12.348 0.298 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.847 -9.605 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.266 -10.888 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.004 -11.072 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 65 0.268 -8.673 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.941 -7.203 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.685 -7.878 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.706 -8.542 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.653 -8.512 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.446 -9.888 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.259 -10.123 -1.224 1.00 0.00 H new ATOM 993 N TYR A 66 -2.538 -10.448 -2.080 1.00 0.00 N ATOM 994 CA TYR A 66 -3.178 -9.975 -3.309 1.00 0.00 C ATOM 995 C TYR A 66 -4.622 -9.565 -3.034 1.00 0.00 C ATOM 996 O TYR A 66 -5.127 -8.577 -3.616 1.00 0.00 O ATOM 997 CB TYR A 66 -3.119 -11.067 -4.383 1.00 0.00 C ATOM 998 CG TYR A 66 -3.624 -10.668 -5.755 1.00 0.00 C ATOM 999 CD1 TYR A 66 -2.819 -9.946 -6.624 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -4.890 -11.038 -6.188 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.262 -9.599 -7.883 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.340 -10.697 -7.448 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.522 -9.978 -8.291 1.00 0.00 C ATOM 1004 OH TYR A 66 -4.963 -9.633 -9.545 1.00 0.00 O ATOM 0 H TYR A 66 -2.233 -11.421 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.641 -9.099 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.086 -11.401 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.699 -11.923 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.829 -9.651 -6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.533 -11.602 -5.529 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.624 -9.033 -8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.327 -10.992 -7.771 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.871 -9.976 -9.678 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.269 -10.316 -2.153 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.634 -10.038 -1.714 1.00 0.00 C ATOM 1016 C ASP A 67 -6.703 -8.740 -0.981 1.00 0.00 C ATOM 1017 O ASP A 67 -7.574 -7.943 -1.252 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.176 -11.167 -0.838 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.514 -10.843 -0.214 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.549 -10.889 -0.916 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.554 -10.554 1.001 1.00 0.00 O ATOM 0 H ASP A 67 -4.860 -11.143 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.257 -9.969 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.272 -12.071 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.456 -11.384 -0.048 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.763 -8.504 -0.094 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.752 -7.282 0.682 1.00 0.00 C ATOM 1028 C PHE A 68 -5.547 -6.076 -0.244 1.00 0.00 C ATOM 1029 O PHE A 68 -6.258 -5.079 -0.144 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.677 -7.356 1.764 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.723 -6.229 2.757 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -5.851 -6.029 3.543 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.642 -5.384 2.921 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.898 -5.006 4.469 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.686 -4.361 3.845 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.814 -4.171 4.620 1.00 0.00 C ATOM 0 H PHE A 68 -4.994 -9.143 0.109 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.713 -7.159 1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.780 -8.300 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.697 -7.365 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.703 -6.683 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.755 -5.526 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.782 -4.861 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.836 -3.706 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.845 -3.369 5.343 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.620 -6.224 -1.198 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.335 -5.205 -2.226 1.00 0.00 C ATOM 1048 C ILE A 69 -5.601 -4.856 -3.017 1.00 0.00 C ATOM 1049 O ILE A 69 -5.787 -3.694 -3.463 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.248 -5.718 -3.215 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.925 -5.929 -2.477 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -3.064 -4.755 -4.395 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.858 -6.597 -3.314 1.00 0.00 C ATOM 0 H ILE A 69 -4.040 -7.059 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.974 -4.313 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.582 -6.673 -3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.553 -4.963 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.108 -6.534 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.298 -5.144 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.005 -4.659 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.758 -3.777 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.050 -6.712 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.209 -7.578 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.645 -5.983 -4.189 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.456 -5.867 -3.176 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.697 -5.757 -3.933 1.00 0.00 C ATOM 1067 C HIS A 70 -8.945 -5.695 -3.065 1.00 0.00 C ATOM 1068 O HIS A 70 -10.065 -5.902 -3.550 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.814 -6.860 -4.980 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.900 -6.641 -6.126 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.613 -7.117 -6.161 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -7.076 -5.947 -7.268 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -5.035 -6.714 -7.279 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.902 -6.008 -7.961 1.00 0.00 N ATOM 0 H HIS A 70 -6.302 -6.793 -2.778 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.639 -4.796 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.592 -7.822 -4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.841 -6.909 -5.341 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.174 -7.690 -5.440 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.977 -5.438 -7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.020 -6.930 -7.579 1.00 0.00 H new ATOM 1083 N THR A 71 -8.785 -5.387 -1.823 1.00 0.00 N ATOM 1084 CA THR A 71 -9.920 -5.202 -0.998 1.00 0.00 C ATOM 1085 C THR A 71 -10.177 -3.715 -0.793 1.00 0.00 C ATOM 1086 O THR A 71 -9.474 -3.035 -0.038 1.00 0.00 O ATOM 1087 CB THR A 71 -9.833 -5.997 0.337 1.00 0.00 C ATOM 1088 OG1 THR A 71 -9.822 -7.397 0.026 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.023 -5.696 1.267 1.00 0.00 C ATOM 0 H THR A 71 -7.884 -5.260 -1.363 1.00 0.00 H new ATOM 0 HA THR A 71 -10.785 -5.622 -1.512 1.00 0.00 H new ATOM 0 HB THR A 71 -8.924 -5.698 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.199 -7.563 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.921 -6.272 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.039 -4.632 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.953 -5.970 0.768 1.00 0.00 H new ATOM 1097 N SER A 72 -11.118 -3.214 -1.584 1.00 0.00 N ATOM 1098 CA SER A 72 -11.597 -1.863 -1.519 1.00 0.00 C ATOM 1099 C SER A 72 -12.060 -1.582 -0.097 1.00 0.00 C ATOM 1100 O SER A 72 -12.578 -2.482 0.599 1.00 0.00 O ATOM 1101 CB SER A 72 -12.787 -1.743 -2.469 1.00 0.00 C ATOM 1102 OG SER A 72 -12.554 -2.508 -3.652 1.00 0.00 O ATOM 0 H SER A 72 -11.576 -3.766 -2.309 1.00 0.00 H new ATOM 0 HA SER A 72 -10.816 -1.156 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.693 -2.092 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.949 -0.697 -2.730 1.00 0.00 H new ATOM 0 HG SER A 72 -13.324 -2.425 -4.252 1.00 0.00 H new ATOM 1108 N PHE A 73 -11.940 -0.356 0.314 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.258 0.072 1.680 1.00 0.00 C ATOM 1110 C PHE A 73 -13.758 -0.105 1.978 1.00 0.00 C ATOM 1111 O PHE A 73 -14.198 -0.023 3.126 1.00 0.00 O ATOM 1112 CB PHE A 73 -11.854 1.538 1.845 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.511 1.845 1.219 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.321 1.579 1.880 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.453 2.357 -0.069 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.110 1.814 1.260 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.246 2.606 -0.681 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.074 2.332 -0.021 1.00 0.00 C ATOM 0 H PHE A 73 -11.614 0.402 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.705 -0.547 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.615 2.174 1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.821 1.785 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.342 1.186 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.370 2.564 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.188 1.592 1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.221 3.017 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.126 2.521 -0.502 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.737 -2.437 8.627 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.526 -2.944 7.976 1.00 0.00 C ATOM 1518 C GLY B 115 -7.957 -2.009 6.914 1.00 0.00 C ATOM 1519 O GLY B 115 -6.939 -1.360 7.147 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.764 -3.121 8.735 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.748 -3.907 7.516 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.602 -1.895 5.756 1.00 0.00 N ATOM 1524 CA PRO B 116 -8.133 -1.027 4.685 1.00 0.00 C ATOM 1525 C PRO B 116 -8.301 0.494 5.004 1.00 0.00 C ATOM 1526 O PRO B 116 -7.487 1.320 4.569 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.984 -1.477 3.487 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.237 -1.972 4.102 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.815 -2.644 5.367 1.00 0.00 C ATOM 0 HA PRO B 116 -7.061 -1.119 4.511 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -9.175 -0.652 2.801 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.485 -2.259 2.914 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.927 -1.153 4.303 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.752 -2.668 3.440 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.589 -2.584 6.133 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.603 -3.702 5.210 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.313 0.856 5.798 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.542 2.270 6.136 1.00 0.00 C ATOM 1539 C GLN B 117 -8.429 2.796 7.044 1.00 0.00 C ATOM 1540 O GLN B 117 -7.809 3.832 6.770 1.00 0.00 O ATOM 1541 CB GLN B 117 -10.908 2.473 6.790 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.174 3.920 7.185 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.533 4.143 7.806 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.088 3.268 8.466 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.076 5.307 7.602 1.00 0.00 N ATOM 0 H GLN B 117 -9.978 0.205 6.214 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.529 2.838 5.206 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.686 2.142 6.102 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -10.977 1.842 7.676 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.406 4.242 7.889 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.081 4.551 6.301 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -12.585 6.009 7.048 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -13.993 5.518 7.996 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.156 2.055 8.098 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.086 2.366 9.048 1.00 0.00 C ATOM 1556 C ASP B 118 -5.754 2.257 8.341 1.00 0.00 C ATOM 1557 O ASP B 118 -4.772 2.900 8.720 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.146 1.427 10.268 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.067 1.648 11.296 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.197 2.572 12.129 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.087 0.883 11.319 1.00 0.00 O ATOM 0 H ASP B 118 -8.673 1.207 8.330 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.213 3.384 9.417 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.116 1.545 10.751 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.087 0.397 9.918 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.712 1.405 7.313 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.510 1.195 6.526 1.00 0.00 C ATOM 1568 C PHE B 119 -4.103 2.513 5.877 1.00 0.00 C ATOM 1569 O PHE B 119 -2.932 2.843 5.831 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.762 0.122 5.472 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.540 -0.529 4.935 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.684 -1.194 5.798 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.246 -0.509 3.574 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.564 -1.826 5.333 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -2.118 -1.150 3.104 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.281 -1.809 3.989 1.00 0.00 C ATOM 0 H PHE B 119 -6.510 0.847 7.010 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.698 0.853 7.168 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.405 -0.645 5.903 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.311 0.570 4.644 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.905 -1.214 6.855 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.900 0.008 2.887 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.905 -2.336 6.020 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.888 -1.138 2.049 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.400 -2.313 3.620 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.096 3.265 5.425 1.00 0.00 N ATOM 1587 CA LEU B 120 -4.889 4.592 4.859 1.00 0.00 C ATOM 1588 C LEU B 120 -4.507 5.581 5.931 1.00 0.00 C ATOM 1589 O LEU B 120 -3.503 6.213 5.844 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.159 5.110 4.196 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.673 4.358 2.995 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -7.980 4.971 2.535 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.656 4.390 1.876 1.00 0.00 C ATOM 0 H LEU B 120 -6.073 2.971 5.440 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.090 4.497 4.124 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -6.949 5.125 4.947 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -5.985 6.143 3.897 1.00 0.00 H new ATOM 0 HG LEU B 120 -6.843 3.318 3.273 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.351 4.427 1.667 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.712 4.913 3.340 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.818 6.015 2.267 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.043 3.842 1.017 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.462 5.424 1.590 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.729 3.927 2.214 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.316 5.665 6.961 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.169 6.681 8.027 1.00 0.00 C ATOM 1607 C LEU B 121 -3.841 6.580 8.798 1.00 0.00 C ATOM 1608 O LEU B 121 -3.469 7.504 9.513 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.334 6.560 8.992 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.706 6.765 8.379 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.776 6.353 9.351 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -7.886 8.215 7.999 1.00 0.00 C ATOM 0 H LEU B 121 -6.106 5.035 7.102 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.164 7.656 7.539 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.303 5.572 9.451 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.199 7.288 9.792 1.00 0.00 H new ATOM 0 HG LEU B 121 -7.788 6.148 7.484 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.756 6.505 8.899 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.652 5.300 9.604 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.697 6.955 10.256 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -8.873 8.356 7.559 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.792 8.838 8.888 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.122 8.499 7.275 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.147 5.471 8.669 1.00 0.00 N ATOM 1625 CA LYS B 122 -1.859 5.323 9.332 1.00 0.00 C ATOM 1626 C LYS B 122 -0.724 5.728 8.401 1.00 0.00 C ATOM 1627 O LYS B 122 0.455 5.626 8.759 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.626 3.900 9.802 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.477 2.903 8.680 1.00 0.00 C ATOM 1630 CD LYS B 122 -0.933 1.601 9.188 1.00 0.00 C ATOM 1631 CE LYS B 122 -1.887 0.914 10.166 1.00 0.00 C ATOM 1632 NZ LYS B 122 -3.197 0.628 9.567 1.00 0.00 N ATOM 0 H LYS B 122 -3.443 4.664 8.119 1.00 0.00 H new ATOM 0 HA LYS B 122 -1.876 5.979 10.202 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.728 3.874 10.420 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.459 3.596 10.437 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.444 2.737 8.205 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -0.812 3.306 7.916 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.740 0.937 8.345 1.00 0.00 H new ATOM 0 HD3 LYS B 122 0.023 1.777 9.680 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -1.438 -0.017 10.512 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.022 1.548 11.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.844 0.273 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.587 1.499 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.089 -0.090 8.823 1.00 0.00 H new ATOM 1646 N MET B 123 -1.070 6.178 7.220 1.00 0.00 N ATOM 1647 CA MET B 123 -0.085 6.545 6.249 1.00 0.00 C ATOM 1648 C MET B 123 0.298 7.995 6.488 1.00 0.00 C ATOM 1649 O MET B 123 -0.534 8.780 6.930 1.00 0.00 O ATOM 1650 CB MET B 123 -0.629 6.377 4.814 1.00 0.00 C ATOM 1651 CG MET B 123 -1.055 4.956 4.451 1.00 0.00 C ATOM 1652 SD MET B 123 -1.628 4.816 2.749 1.00 0.00 S ATOM 1653 CE MET B 123 -1.988 3.071 2.664 1.00 0.00 C ATOM 0 H MET B 123 -2.035 6.297 6.912 1.00 0.00 H new ATOM 0 HA MET B 123 0.784 5.895 6.352 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.483 7.041 4.685 1.00 0.00 H new ATOM 0 HB3 MET B 123 0.137 6.702 4.110 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.215 4.279 4.604 1.00 0.00 H new ATOM 0 HG3 MET B 123 -1.849 4.636 5.125 1.00 0.00 H new ATOM 0 HE1 MET B 123 -2.905 2.916 2.096 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.164 2.553 2.173 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.115 2.676 3.672 1.00 0.00 H new ATOM 1663 N PRO B 124 1.551 8.366 6.291 1.00 0.00 N ATOM 1664 CA PRO B 124 1.958 9.757 6.423 1.00 0.00 C ATOM 1665 C PRO B 124 1.389 10.604 5.282 1.00 0.00 C ATOM 1666 O PRO B 124 1.680 10.352 4.124 1.00 0.00 O ATOM 1667 CB PRO B 124 3.487 9.703 6.342 1.00 0.00 C ATOM 1668 CG PRO B 124 3.799 8.422 5.643 1.00 0.00 C ATOM 1669 CD PRO B 124 2.677 7.477 5.960 1.00 0.00 C ATOM 0 HA PRO B 124 1.598 10.211 7.346 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.882 10.557 5.792 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.935 9.728 7.335 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.882 8.578 4.567 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.753 8.018 5.981 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.443 6.835 5.111 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.929 6.823 6.795 1.00 0.00 H new ATOM 1677 N GLY B 125 0.558 11.570 5.614 1.00 0.00 N ATOM 1678 CA GLY B 125 0.006 12.436 4.610 1.00 0.00 C ATOM 1679 C GLY B 125 -1.460 12.188 4.369 1.00 0.00 C ATOM 1680 O GLY B 125 -1.942 12.331 3.253 1.00 0.00 O ATOM 0 H GLY B 125 0.255 11.769 6.567 1.00 0.00 H new ATOM 0 HA2 GLY B 125 0.150 13.473 4.912 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.552 12.297 3.677 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.174 11.836 5.402 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.587 11.561 5.263 1.00 0.00 C ATOM 1686 C VAL B 126 -4.361 11.988 6.534 1.00 0.00 C ATOM 1687 O VAL B 126 -3.789 12.091 7.620 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.787 10.054 4.953 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -3.444 9.199 6.127 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -5.158 9.738 4.383 1.00 0.00 C ATOM 0 H VAL B 126 -1.808 11.732 6.348 1.00 0.00 H new ATOM 0 HA VAL B 126 -3.989 12.145 4.435 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.081 9.807 4.160 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -3.597 8.151 5.871 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -2.401 9.357 6.400 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -4.084 9.464 6.969 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -5.233 8.668 4.188 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -5.926 10.032 5.099 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -5.300 10.287 3.452 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.643 12.257 6.371 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.558 12.637 7.452 1.00 0.00 C ATOM 1702 C ASN B 127 -7.827 11.902 7.236 1.00 0.00 C ATOM 1703 O ASN B 127 -8.053 11.396 6.155 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.926 14.134 7.452 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.842 15.069 7.877 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -5.677 15.351 9.055 1.00 0.00 O ATOM 1707 ND2 ASN B 127 -5.164 15.611 6.941 1.00 0.00 N ATOM 0 H ASN B 127 -6.098 12.218 5.459 1.00 0.00 H new ATOM 0 HA ASN B 127 -6.057 12.407 8.392 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -7.245 14.410 6.447 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.783 14.278 8.110 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -4.453 16.308 7.164 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -5.333 15.347 5.970 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.684 11.887 8.220 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.975 11.228 8.097 1.00 0.00 C ATOM 1716 C ALA B 128 -10.842 11.896 7.023 1.00 0.00 C ATOM 1717 O ALA B 128 -11.562 11.221 6.278 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.693 11.195 9.438 1.00 0.00 C ATOM 0 H ALA B 128 -8.519 12.325 9.126 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.797 10.200 7.782 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.656 10.698 9.323 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.087 10.650 10.162 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.851 12.214 9.791 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.689 13.206 6.878 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.511 13.964 5.939 1.00 0.00 C ATOM 1726 C LYS B 129 -11.117 13.655 4.494 1.00 0.00 C ATOM 1727 O LYS B 129 -11.960 13.440 3.600 1.00 0.00 O ATOM 1728 CB LYS B 129 -11.404 15.472 6.234 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.978 16.034 6.177 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.923 17.504 6.541 1.00 0.00 C ATOM 1731 CE LYS B 129 -10.750 18.351 5.592 1.00 0.00 C ATOM 1732 NZ LYS B 129 -10.565 19.787 5.837 1.00 0.00 N ATOM 0 H LYS B 129 -10.009 13.764 7.394 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.551 13.663 6.068 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -12.023 16.014 5.519 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.817 15.666 7.224 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -9.340 15.470 6.857 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.575 15.895 5.174 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -10.286 17.640 7.560 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -8.888 17.844 6.523 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -10.473 18.120 4.564 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -11.804 18.097 5.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -11.147 20.331 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -10.853 20.013 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -9.564 20.035 5.706 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.854 13.544 4.269 1.00 0.00 N ATOM 1747 CA ASN B 130 -9.410 13.320 2.940 1.00 0.00 C ATOM 1748 C ASN B 130 -9.368 11.853 2.630 1.00 0.00 C ATOM 1749 O ASN B 130 -9.328 11.477 1.499 1.00 0.00 O ATOM 1750 CB ASN B 130 -8.111 14.059 2.607 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.917 13.709 3.468 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.775 12.612 3.940 1.00 0.00 O ATOM 1753 ND2 ASN B 130 -6.060 14.670 3.687 1.00 0.00 N ATOM 0 H ASN B 130 -9.121 13.604 4.976 1.00 0.00 H new ATOM 0 HA ASN B 130 -10.147 13.762 2.270 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.857 13.858 1.566 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -8.293 15.131 2.689 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -5.242 14.500 4.273 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -6.208 15.590 3.272 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.433 11.041 3.667 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.515 9.598 3.541 1.00 0.00 C ATOM 1762 C CYS B 131 -10.887 9.211 3.055 1.00 0.00 C ATOM 1763 O CYS B 131 -11.013 8.341 2.233 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.234 8.915 4.877 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.360 7.114 4.888 1.00 0.00 S ATOM 0 H CYS B 131 -9.430 11.368 4.633 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.762 9.272 2.823 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.230 9.191 5.199 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.927 9.312 5.618 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.519 6.698 6.109 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.922 9.873 3.561 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.276 9.581 3.115 1.00 0.00 C ATOM 1773 C ARG B 132 -13.426 9.981 1.648 1.00 0.00 C ATOM 1774 O ARG B 132 -13.965 9.230 0.821 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.319 10.272 4.023 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.330 11.788 3.997 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.442 12.336 3.090 1.00 0.00 C ATOM 1778 NE ARG B 132 -16.779 11.973 3.589 1.00 0.00 N ATOM 1779 CZ ARG B 132 -17.914 11.985 2.870 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.908 12.408 1.607 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -19.053 11.593 3.431 1.00 0.00 N ATOM 0 H ARG B 132 -11.851 10.604 4.269 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.462 8.510 3.193 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.310 9.917 3.738 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.147 9.948 5.050 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.467 12.168 5.010 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.364 12.152 3.648 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.359 13.421 3.027 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -15.313 11.947 2.080 1.00 0.00 H new ATOM 0 HE ARG B 132 -16.850 11.688 4.566 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -17.038 12.726 1.180 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -18.773 12.414 1.067 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -19.063 11.285 4.403 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -19.917 11.600 2.889 1.00 0.00 H new ATOM 1795 N SER B 133 -12.897 11.142 1.321 1.00 0.00 N ATOM 1796 CA SER B 133 -12.900 11.605 -0.044 1.00 0.00 C ATOM 1797 C SER B 133 -12.032 10.680 -0.928 1.00 0.00 C ATOM 1798 O SER B 133 -12.395 10.331 -2.065 1.00 0.00 O ATOM 1799 CB SER B 133 -12.408 13.039 -0.066 1.00 0.00 C ATOM 1800 OG SER B 133 -13.250 13.848 0.750 1.00 0.00 O ATOM 0 H SER B 133 -12.460 11.780 1.986 1.00 0.00 H new ATOM 0 HA SER B 133 -13.909 11.575 -0.454 1.00 0.00 H new ATOM 0 HB2 SER B 133 -11.381 13.087 0.295 1.00 0.00 H new ATOM 0 HB3 SER B 133 -12.404 13.417 -1.088 1.00 0.00 H new ATOM 0 HG SER B 133 -12.946 13.802 1.680 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.939 10.222 -0.361 1.00 0.00 N ATOM 1807 CA LEU B 134 -10.010 9.334 -1.038 1.00 0.00 C ATOM 1808 C LEU B 134 -10.690 8.026 -1.308 1.00 0.00 C ATOM 1809 O LEU B 134 -10.533 7.462 -2.334 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.807 9.052 -0.162 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.621 8.407 -0.855 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.835 9.408 -1.678 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.756 7.688 0.129 1.00 0.00 C ATOM 0 H LEU B 134 -10.664 10.456 0.593 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.690 9.813 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.477 9.991 0.283 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.121 8.405 0.657 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.008 7.667 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.995 8.905 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.483 9.840 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.462 10.200 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -5.913 7.234 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.386 8.394 0.872 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.337 6.911 0.625 1.00 0.00 H new ATOM 1825 N MET B 135 -11.482 7.612 -0.372 1.00 0.00 N ATOM 1826 CA MET B 135 -12.207 6.368 -0.398 1.00 0.00 C ATOM 1827 C MET B 135 -13.209 6.374 -1.528 1.00 0.00 C ATOM 1828 O MET B 135 -13.571 5.346 -2.059 1.00 0.00 O ATOM 1829 CB MET B 135 -12.863 6.183 0.948 1.00 0.00 C ATOM 1830 CG MET B 135 -13.290 4.784 1.266 1.00 0.00 C ATOM 1831 SD MET B 135 -13.691 4.601 3.015 1.00 0.00 S ATOM 1832 CE MET B 135 -12.137 5.120 3.792 1.00 0.00 C ATOM 0 H MET B 135 -11.654 8.153 0.475 1.00 0.00 H new ATOM 0 HA MET B 135 -11.537 5.528 -0.581 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.170 6.518 1.720 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.737 6.832 1.000 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.159 4.521 0.662 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.494 4.089 0.999 1.00 0.00 H new ATOM 0 HE1 MET B 135 -11.766 4.320 4.433 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.399 5.338 3.020 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.311 6.014 4.391 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.675 7.551 -1.861 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.564 7.723 -2.999 1.00 0.00 C ATOM 1844 C HIS B 136 -13.790 7.875 -4.308 1.00 0.00 C ATOM 1845 O HIS B 136 -14.348 7.719 -5.390 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.506 8.907 -2.801 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.581 8.674 -1.787 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.846 9.193 -1.903 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.570 7.984 -0.624 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.562 8.836 -0.865 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.818 8.104 -0.076 1.00 0.00 N ATOM 0 H HIS B 136 -13.456 8.413 -1.362 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.164 6.815 -3.066 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -14.921 9.776 -2.500 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -15.970 9.151 -3.756 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.735 7.441 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.594 9.102 -0.690 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -18.120 7.689 0.806 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.514 8.197 -4.221 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.694 8.349 -5.430 1.00 0.00 C ATOM 1862 C HIS B 137 -10.822 7.129 -5.699 1.00 0.00 C ATOM 1863 O HIS B 137 -10.347 6.925 -6.812 1.00 0.00 O ATOM 1864 CB HIS B 137 -10.816 9.599 -5.369 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.534 10.898 -5.593 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.165 11.727 -4.736 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.602 11.508 -6.817 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.585 12.809 -5.456 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.231 12.650 -6.707 1.00 0.00 N flip ATOM 0 H HIS B 137 -12.019 8.359 -3.344 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.400 8.453 -6.254 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.330 9.635 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.027 9.506 -6.115 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.303 11.574 -3.737 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.198 11.107 -7.735 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.122 13.658 -5.058 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.629 6.337 -4.700 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.760 5.187 -4.763 1.00 0.00 C ATOM 1880 C VAL B 138 -10.570 3.944 -4.466 1.00 0.00 C ATOM 1881 O VAL B 138 -11.498 3.981 -3.665 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.589 5.320 -3.732 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.680 4.117 -3.752 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.771 6.568 -4.001 1.00 0.00 C ATOM 0 H VAL B 138 -11.076 6.464 -3.792 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.327 5.120 -5.761 1.00 0.00 H new ATOM 0 HB VAL B 138 -9.047 5.389 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.882 4.252 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -8.253 3.224 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.247 4.005 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.964 6.638 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.350 6.517 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.411 7.447 -3.920 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.250 2.873 -5.132 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.935 1.626 -4.951 1.00 0.00 C ATOM 1896 C LYS B 139 -10.281 0.870 -3.842 1.00 0.00 C ATOM 1897 O LYS B 139 -10.836 0.756 -2.750 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.884 0.837 -6.238 1.00 0.00 C ATOM 1899 CG LYS B 139 -11.743 -0.387 -6.255 1.00 0.00 C ATOM 1900 CD LYS B 139 -11.594 -1.116 -7.565 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.299 -1.898 -7.607 1.00 0.00 C ATOM 1902 NZ LYS B 139 -10.134 -2.635 -8.870 1.00 0.00 N ATOM 0 H LYS B 139 -9.500 2.840 -5.822 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.979 1.801 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -11.185 1.487 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.852 0.543 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -11.465 -1.045 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -12.786 -0.109 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -12.436 -1.793 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -11.618 -0.401 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -9.460 -1.215 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.273 -2.600 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -9.234 -3.155 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -10.920 -3.306 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -10.132 -1.965 -9.665 1.00 0.00 H new ATOM 1916 N ASN B 140 -9.115 0.380 -4.098 1.00 0.00 N ATOM 1917 CA ASN B 140 -8.395 -0.330 -3.145 1.00 0.00 C ATOM 1918 C ASN B 140 -6.961 0.120 -3.186 1.00 0.00 C ATOM 1919 O ASN B 140 -6.633 1.080 -3.893 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.603 -1.869 -3.326 1.00 0.00 C ATOM 1921 CG ASN B 140 -8.310 -2.477 -4.713 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.321 -2.026 -5.396 1.00 0.00 O flip ATOM 1923 ND2 ASN B 140 -8.993 -3.405 -5.137 1.00 0.00 N flip ATOM 0 H ASN B 140 -8.644 0.474 -4.998 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.762 -0.119 -2.140 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -7.974 -2.380 -2.597 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -9.638 -2.099 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -9.776 -3.755 -4.586 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -8.777 -3.826 -6.041 1.00 0.00 H new ATOM 1930 N ILE B 141 -6.137 -0.545 -2.437 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.709 -0.264 -2.315 1.00 0.00 C ATOM 1932 C ILE B 141 -4.042 -0.032 -3.682 1.00 0.00 C ATOM 1933 O ILE B 141 -3.229 0.886 -3.838 1.00 0.00 O ATOM 1934 CB ILE B 141 -4.081 -1.468 -1.652 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -4.567 -1.585 -0.209 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.540 -1.452 -1.732 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -4.057 -2.801 0.494 1.00 0.00 C ATOM 0 H ILE B 141 -6.437 -1.334 -1.864 1.00 0.00 H new ATOM 0 HA ILE B 141 -4.569 0.648 -1.735 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.402 -2.353 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -4.257 -0.698 0.344 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.657 -1.600 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -2.141 -2.339 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -2.230 -1.446 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -2.159 -0.560 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -4.442 -2.820 1.514 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.389 -3.694 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.968 -2.778 0.517 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.389 -0.876 -4.647 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.862 -0.726 -6.028 1.00 0.00 C ATOM 1951 C ALA B 142 -4.041 0.692 -6.624 1.00 0.00 C ATOM 1952 O ALA B 142 -3.066 1.304 -7.031 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.494 -1.741 -6.933 1.00 0.00 C ATOM 0 H ALA B 142 -5.022 -1.665 -4.518 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.787 -0.892 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -4.101 -1.623 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.267 -2.743 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.574 -1.596 -6.945 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.266 1.215 -6.630 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.564 2.561 -7.198 1.00 0.00 C ATOM 1961 C GLU B 143 -4.881 3.622 -6.391 1.00 0.00 C ATOM 1962 O GLU B 143 -4.419 4.609 -6.932 1.00 0.00 O ATOM 1963 CB GLU B 143 -7.087 2.853 -7.242 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.923 1.944 -8.142 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.857 0.534 -7.730 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.901 0.293 -6.527 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -7.782 -0.354 -8.595 1.00 0.00 O ATOM 0 H GLU B 143 -6.083 0.737 -6.250 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.190 2.568 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.478 2.784 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.229 3.883 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -8.961 2.276 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -7.575 2.036 -9.171 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.821 3.399 -5.098 1.00 0.00 N ATOM 1975 CA LEU B 144 -4.134 4.304 -4.174 1.00 0.00 C ATOM 1976 C LEU B 144 -2.698 4.512 -4.608 1.00 0.00 C ATOM 1977 O LEU B 144 -2.236 5.634 -4.764 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.123 3.709 -2.770 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.324 4.482 -1.730 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.970 5.815 -1.413 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.137 3.655 -0.493 1.00 0.00 C ATOM 0 H LEU B 144 -5.244 2.588 -4.647 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.665 5.256 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.153 3.627 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.724 2.696 -2.828 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.340 4.695 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.373 6.340 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -4.028 6.416 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.974 5.649 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.564 4.222 0.241 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.111 3.401 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -2.600 2.740 -0.745 1.00 0.00 H new ATOM 1993 N ALA B 145 -2.021 3.415 -4.839 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.639 3.440 -5.196 1.00 0.00 C ATOM 1995 C ALA B 145 -0.437 3.787 -6.661 1.00 0.00 C ATOM 1996 O ALA B 145 0.684 4.091 -7.105 1.00 0.00 O ATOM 1997 CB ALA B 145 -0.002 2.123 -4.849 1.00 0.00 C ATOM 0 H ALA B 145 -2.422 2.479 -4.782 1.00 0.00 H new ATOM 0 HA ALA B 145 -0.151 4.228 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.053 2.146 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA B 145 -0.095 1.945 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.501 1.322 -5.395 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.513 3.741 -7.407 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.473 4.045 -8.807 1.00 0.00 C ATOM 2005 C ALA B 146 -1.634 5.528 -9.027 1.00 0.00 C ATOM 2006 O ALA B 146 -1.161 6.066 -10.030 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.549 3.278 -9.562 1.00 0.00 C ATOM 0 H ALA B 146 -2.438 3.492 -7.057 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.502 3.736 -9.193 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.497 3.527 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.391 2.207 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.530 3.550 -9.173 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.292 6.195 -8.108 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.525 7.602 -8.257 1.00 0.00 C ATOM 2015 C LEU B 147 -1.257 8.424 -8.017 1.00 0.00 C ATOM 2016 O LEU B 147 -0.412 8.077 -7.183 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.665 8.096 -7.369 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.054 7.538 -7.684 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.079 8.127 -6.741 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.448 7.818 -9.129 1.00 0.00 C ATOM 0 H LEU B 147 -2.672 5.784 -7.255 1.00 0.00 H new ATOM 0 HA LEU B 147 -2.826 7.750 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.424 7.852 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.708 9.183 -7.439 1.00 0.00 H new ATOM 0 HG LEU B 147 -5.021 6.457 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.064 7.722 -6.975 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.817 7.873 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.096 9.211 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.440 7.409 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.460 8.894 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.727 7.351 -9.800 1.00 0.00 H new ATOM 2032 N SER B 148 -1.117 9.490 -8.764 1.00 0.00 N ATOM 2033 CA SER B 148 0.016 10.365 -8.629 1.00 0.00 C ATOM 2034 C SER B 148 -0.249 11.429 -7.545 1.00 0.00 C ATOM 2035 O SER B 148 -1.393 11.593 -7.091 1.00 0.00 O ATOM 2036 CB SER B 148 0.313 10.994 -9.985 1.00 0.00 C ATOM 2037 OG SER B 148 0.503 9.976 -10.951 1.00 0.00 O ATOM 0 H SER B 148 -1.785 9.774 -9.481 1.00 0.00 H new ATOM 0 HA SER B 148 0.891 9.800 -8.308 1.00 0.00 H new ATOM 0 HB2 SER B 148 -0.510 11.643 -10.284 1.00 0.00 H new ATOM 0 HB3 SER B 148 1.204 11.618 -9.920 1.00 0.00 H new ATOM 0 HG SER B 148 0.692 10.383 -11.822 1.00 0.00 H new ATOM 2043 N GLN B 149 0.797 12.175 -7.162 1.00 0.00 N ATOM 2044 CA GLN B 149 0.713 13.179 -6.095 1.00 0.00 C ATOM 2045 C GLN B 149 -0.267 14.259 -6.481 1.00 0.00 C ATOM 2046 O GLN B 149 -0.942 14.841 -5.637 1.00 0.00 O ATOM 2047 CB GLN B 149 2.080 13.822 -5.853 1.00 0.00 C ATOM 2048 CG GLN B 149 2.086 14.831 -4.720 1.00 0.00 C ATOM 2049 CD GLN B 149 3.384 15.593 -4.611 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.442 15.080 -4.935 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.309 16.828 -4.182 1.00 0.00 N ATOM 0 H GLN B 149 1.723 12.099 -7.583 1.00 0.00 H new ATOM 0 HA GLN B 149 0.381 12.680 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.807 13.039 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.407 14.315 -6.769 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.269 15.537 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.896 14.313 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.406 17.223 -3.920 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.154 17.395 -4.110 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.350 14.497 -7.758 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.223 15.517 -8.314 1.00 0.00 C ATOM 2062 C ASP B 150 -2.665 15.157 -8.044 1.00 0.00 C ATOM 2063 O ASP B 150 -3.451 15.989 -7.591 1.00 0.00 O ATOM 2064 CB ASP B 150 -0.979 15.654 -9.805 1.00 0.00 C ATOM 2065 CG ASP B 150 0.467 15.939 -10.118 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.918 17.081 -9.940 1.00 0.00 O ATOM 2067 OD2 ASP B 150 1.199 15.003 -10.511 1.00 0.00 O ATOM 0 H ASP B 150 0.188 13.988 -8.459 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.006 16.474 -7.839 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.284 14.736 -10.308 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -1.601 16.457 -10.202 1.00 0.00 H new ATOM 2072 N GLU B 151 -2.979 13.882 -8.235 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.306 13.367 -7.985 1.00 0.00 C ATOM 2074 C GLU B 151 -4.601 13.464 -6.510 1.00 0.00 C ATOM 2075 O GLU B 151 -5.683 13.870 -6.107 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.411 11.913 -8.437 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.103 11.705 -9.904 1.00 0.00 C ATOM 2078 CD GLU B 151 -4.957 12.567 -10.790 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.189 12.384 -10.819 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -4.416 13.453 -11.462 1.00 0.00 O ATOM 0 H GLU B 151 -2.317 13.181 -8.568 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.030 13.956 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.727 11.307 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.418 11.550 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.052 11.927 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.257 10.657 -10.161 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.603 13.140 -5.706 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.732 13.207 -4.267 1.00 0.00 C ATOM 2089 C LEU B 152 -3.975 14.641 -3.815 1.00 0.00 C ATOM 2090 O LEU B 152 -4.756 14.874 -2.935 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.499 12.630 -3.568 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.148 11.178 -3.889 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.909 10.743 -3.131 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.320 10.248 -3.599 1.00 0.00 C ATOM 0 H LEU B 152 -2.689 12.826 -6.032 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.593 12.601 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.641 13.252 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.647 12.715 -2.491 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.933 11.115 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.678 9.706 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.069 11.378 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.088 10.832 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.038 9.222 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.585 10.315 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.176 10.540 -4.208 1.00 0.00 H new ATOM 2106 N THR B 153 -3.343 15.598 -4.463 1.00 0.00 N ATOM 2107 CA THR B 153 -3.524 17.000 -4.101 1.00 0.00 C ATOM 2108 C THR B 153 -4.950 17.426 -4.446 1.00 0.00 C ATOM 2109 O THR B 153 -5.557 18.218 -3.746 1.00 0.00 O ATOM 2110 CB THR B 153 -2.529 17.915 -4.846 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.195 17.368 -4.753 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.520 19.312 -4.227 1.00 0.00 C ATOM 0 H THR B 153 -2.702 15.438 -5.240 1.00 0.00 H new ATOM 0 HA THR B 153 -3.340 17.100 -3.031 1.00 0.00 H new ATOM 0 HB THR B 153 -2.841 17.978 -5.889 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.116 16.594 -5.349 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.813 19.944 -4.765 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.518 19.746 -4.294 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.223 19.244 -3.180 1.00 0.00 H new ATOM 2120 N SER B 154 -5.484 16.837 -5.489 1.00 0.00 N ATOM 2121 CA SER B 154 -6.815 17.127 -5.928 1.00 0.00 C ATOM 2122 C SER B 154 -7.831 16.544 -4.921 1.00 0.00 C ATOM 2123 O SER B 154 -8.838 17.177 -4.598 1.00 0.00 O ATOM 2124 CB SER B 154 -7.029 16.554 -7.344 1.00 0.00 C ATOM 2125 OG SER B 154 -8.274 16.952 -7.896 1.00 0.00 O ATOM 0 H SER B 154 -5.000 16.141 -6.055 1.00 0.00 H new ATOM 0 HA SER B 154 -6.966 18.205 -5.974 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.221 16.886 -7.995 1.00 0.00 H new ATOM 0 HB3 SER B 154 -6.981 15.466 -7.306 1.00 0.00 H new ATOM 0 HG SER B 154 -8.371 16.570 -8.793 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.525 15.371 -4.401 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.387 14.690 -3.454 1.00 0.00 C ATOM 2133 C ILE B 155 -8.235 15.267 -2.045 1.00 0.00 C ATOM 2134 O ILE B 155 -9.216 15.661 -1.419 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.054 13.179 -3.400 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.207 12.549 -4.795 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.955 12.471 -2.383 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.661 11.137 -4.905 1.00 0.00 C ATOM 0 H ILE B 155 -6.670 14.862 -4.624 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.412 14.836 -3.795 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.019 13.059 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.264 12.540 -5.063 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.699 13.180 -5.524 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.709 11.409 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.799 12.905 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.998 12.595 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.809 10.768 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.596 11.139 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.185 10.488 -4.203 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.008 15.310 -1.569 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.723 15.699 -0.198 1.00 0.00 C ATOM 2152 C LEU B 156 -6.823 17.201 -0.032 1.00 0.00 C ATOM 2153 O LEU B 156 -7.106 17.691 1.049 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.322 15.225 0.231 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.908 13.794 -0.181 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.553 13.451 0.375 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.924 12.745 0.229 1.00 0.00 C ATOM 0 H LEU B 156 -6.180 15.077 -2.118 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.467 15.221 0.440 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.589 15.921 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.258 15.297 1.317 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.864 13.786 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.281 12.440 0.073 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.814 14.155 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.581 13.510 1.463 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.579 11.761 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.043 12.757 1.312 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.882 12.962 -0.243 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.535 17.914 -1.098 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.633 19.364 -1.103 1.00 0.00 C ATOM 2171 C GLY B 157 -5.458 20.051 -0.439 1.00 0.00 C ATOM 2172 O GLY B 157 -5.465 21.276 -0.262 1.00 0.00 O ATOM 0 H GLY B 157 -6.227 17.512 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.712 19.711 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.551 19.660 -0.595 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.461 19.276 -0.053 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.255 19.827 0.526 1.00 0.00 C ATOM 2178 C ASN B 158 -2.097 19.099 -0.082 1.00 0.00 C ATOM 2179 O ASN B 158 -2.016 17.857 0.032 1.00 0.00 O ATOM 2180 CB ASN B 158 -3.151 19.665 2.075 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.432 19.316 2.787 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -5.228 20.177 3.146 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.600 18.055 3.068 1.00 0.00 N ATOM 0 H ASN B 158 -4.465 18.259 -0.132 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.262 20.898 0.321 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.415 18.891 2.291 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.767 20.595 2.493 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.415 17.756 3.603 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -3.917 17.367 2.752 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.207 19.832 -0.711 1.00 0.00 N ATOM 2191 CA ALA B 159 -0.015 19.271 -1.329 1.00 0.00 C ATOM 2192 C ALA B 159 0.883 18.625 -0.300 1.00 0.00 C ATOM 2193 O ALA B 159 1.645 17.751 -0.621 1.00 0.00 O ATOM 2194 CB ALA B 159 0.762 20.334 -2.075 1.00 0.00 C ATOM 0 H ALA B 159 -1.286 20.844 -0.812 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.348 18.510 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.648 19.887 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.134 20.764 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.065 21.118 -1.381 1.00 0.00 H new ATOM 2200 N ALA B 160 0.770 19.056 0.938 1.00 0.00 N ATOM 2201 CA ALA B 160 1.566 18.516 2.022 1.00 0.00 C ATOM 2202 C ALA B 160 1.210 17.067 2.246 1.00 0.00 C ATOM 2203 O ALA B 160 2.071 16.212 2.306 1.00 0.00 O ATOM 2204 CB ALA B 160 1.327 19.295 3.284 1.00 0.00 C ATOM 0 H ALA B 160 0.123 19.792 1.223 1.00 0.00 H new ATOM 0 HA ALA B 160 2.620 18.593 1.754 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.932 18.878 4.089 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.603 20.338 3.126 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.273 19.236 3.554 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.081 16.798 2.321 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.566 15.442 2.523 1.00 0.00 C ATOM 2212 C ASN B 161 -0.264 14.611 1.306 1.00 0.00 C ATOM 2213 O ASN B 161 0.231 13.503 1.405 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.077 15.417 2.787 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.512 15.734 4.207 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -3.555 15.273 4.645 1.00 0.00 O ATOM 2217 ND2 ASN B 161 -1.757 16.500 4.918 1.00 0.00 N ATOM 0 H ASN B 161 -0.815 17.502 2.245 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.059 15.032 3.396 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.555 16.130 2.115 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.455 14.429 2.525 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -2.025 16.736 5.873 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -0.892 16.870 4.525 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.501 15.207 0.154 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.316 14.552 -1.127 1.00 0.00 C ATOM 2226 C ALA B 162 1.128 14.154 -1.336 1.00 0.00 C ATOM 2227 O ALA B 162 1.411 13.071 -1.833 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.753 15.482 -2.228 1.00 0.00 C ATOM 0 H ALA B 162 -0.831 16.169 0.080 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.920 13.645 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.616 14.994 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.805 15.734 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.155 16.393 -2.194 1.00 0.00 H new ATOM 2234 N LYS B 163 2.035 15.023 -0.931 1.00 0.00 N ATOM 2235 CA LYS B 163 3.436 14.791 -1.089 1.00 0.00 C ATOM 2236 C LYS B 163 3.869 13.700 -0.158 1.00 0.00 C ATOM 2237 O LYS B 163 4.528 12.771 -0.575 1.00 0.00 O ATOM 2238 CB LYS B 163 4.229 16.085 -0.842 1.00 0.00 C ATOM 2239 CG LYS B 163 5.739 15.933 -0.905 1.00 0.00 C ATOM 2240 CD LYS B 163 6.424 17.246 -0.592 1.00 0.00 C ATOM 2241 CE LYS B 163 7.932 17.140 -0.735 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.612 18.424 -0.446 1.00 0.00 N ATOM 0 H LYS B 163 1.807 15.910 -0.482 1.00 0.00 H new ATOM 0 HA LYS B 163 3.638 14.475 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.922 16.828 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS B 163 3.959 16.478 0.138 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.062 15.171 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.034 15.591 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.049 18.021 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.175 17.553 0.424 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.307 16.372 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.178 16.820 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.639 18.305 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.275 19.152 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.400 18.718 0.529 1.00 0.00 H new ATOM 2256 N GLN B 164 3.422 13.785 1.089 1.00 0.00 N ATOM 2257 CA GLN B 164 3.790 12.809 2.103 1.00 0.00 C ATOM 2258 C GLN B 164 3.299 11.412 1.745 1.00 0.00 C ATOM 2259 O GLN B 164 4.050 10.423 1.870 1.00 0.00 O ATOM 2260 CB GLN B 164 3.287 13.227 3.483 1.00 0.00 C ATOM 2261 CG GLN B 164 3.935 14.484 4.011 1.00 0.00 C ATOM 2262 CD GLN B 164 3.680 14.689 5.488 1.00 0.00 C ATOM 2263 OE1 GLN B 164 4.450 14.237 6.336 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.625 15.370 5.809 1.00 0.00 N ATOM 0 H GLN B 164 2.802 14.523 1.422 1.00 0.00 H new ATOM 0 HA GLN B 164 4.879 12.776 2.137 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.208 13.377 3.436 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.466 12.414 4.187 1.00 0.00 H new ATOM 0 HG2 GLN B 164 5.009 14.437 3.834 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.558 15.344 3.457 1.00 0.00 H new ATOM 0 HE21 GLN B 164 2.009 15.730 5.080 1.00 0.00 H new ATOM 0 HE22 GLN B 164 2.411 15.546 6.791 1.00 0.00 H new ATOM 2273 N LEU B 165 2.068 11.335 1.277 1.00 0.00 N ATOM 2274 CA LEU B 165 1.481 10.074 0.901 1.00 0.00 C ATOM 2275 C LEU B 165 2.158 9.515 -0.365 1.00 0.00 C ATOM 2276 O LEU B 165 2.564 8.347 -0.387 1.00 0.00 O ATOM 2277 CB LEU B 165 -0.063 10.199 0.760 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.815 8.948 0.311 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.561 7.799 1.272 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.306 9.238 0.218 1.00 0.00 C ATOM 0 H LEU B 165 1.455 12.140 1.149 1.00 0.00 H new ATOM 0 HA LEU B 165 1.659 9.350 1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.468 10.512 1.722 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.276 10.997 0.049 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.450 8.659 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -1.105 6.916 0.936 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.506 7.578 1.301 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.902 8.077 2.269 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.832 8.339 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.678 9.547 1.195 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.477 10.036 -0.505 1.00 0.00 H new ATOM 2292 N TYR B 166 2.345 10.367 -1.392 1.00 0.00 N ATOM 2293 CA TYR B 166 3.009 9.949 -2.636 1.00 0.00 C ATOM 2294 C TYR B 166 4.421 9.450 -2.351 1.00 0.00 C ATOM 2295 O TYR B 166 4.866 8.420 -2.924 1.00 0.00 O ATOM 2296 CB TYR B 166 3.062 11.108 -3.647 1.00 0.00 C ATOM 2297 CG TYR B 166 3.778 10.787 -4.950 1.00 0.00 C ATOM 2298 CD1 TYR B 166 3.106 10.197 -6.004 1.00 0.00 C ATOM 2299 CD2 TYR B 166 5.131 11.079 -5.117 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.754 9.901 -7.186 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.785 10.787 -6.294 1.00 0.00 C ATOM 2302 CZ TYR B 166 5.092 10.198 -7.325 1.00 0.00 C ATOM 2303 OH TYR B 166 5.745 9.885 -8.493 1.00 0.00 O ATOM 0 H TYR B 166 2.047 11.342 -1.382 1.00 0.00 H new ATOM 0 HA TYR B 166 2.425 9.135 -3.067 1.00 0.00 H new ATOM 0 HB2 TYR B 166 2.043 11.418 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.556 11.959 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR B 166 2.057 9.964 -5.901 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.677 11.543 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR B 166 3.214 9.438 -7.999 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.834 11.019 -6.406 1.00 0.00 H new ATOM 0 HH TYR B 166 6.683 10.162 -8.428 1.00 0.00 H new ATOM 2313 N ASP B 167 5.100 10.179 -1.475 1.00 0.00 N ATOM 2314 CA ASP B 167 6.459 9.890 -1.033 1.00 0.00 C ATOM 2315 C ASP B 167 6.548 8.494 -0.469 1.00 0.00 C ATOM 2316 O ASP B 167 7.390 7.710 -0.890 1.00 0.00 O ATOM 2317 CB ASP B 167 6.875 10.912 0.044 1.00 0.00 C ATOM 2318 CG ASP B 167 8.207 10.626 0.700 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.256 11.115 0.205 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.233 9.943 1.738 1.00 0.00 O ATOM 0 H ASP B 167 4.708 11.014 -1.039 1.00 0.00 H new ATOM 0 HA ASP B 167 7.130 9.962 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP B 167 6.913 11.903 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.104 10.943 0.814 1.00 0.00 H new ATOM 2325 N PHE B 168 5.637 8.172 0.431 1.00 0.00 N ATOM 2326 CA PHE B 168 5.632 6.889 1.104 1.00 0.00 C ATOM 2327 C PHE B 168 5.448 5.746 0.099 1.00 0.00 C ATOM 2328 O PHE B 168 6.249 4.832 0.058 1.00 0.00 O ATOM 2329 CB PHE B 168 4.531 6.874 2.169 1.00 0.00 C ATOM 2330 CG PHE B 168 4.557 5.680 3.083 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.622 5.484 3.952 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.525 4.759 3.080 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.654 4.396 4.799 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.552 3.669 3.928 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.618 3.487 4.787 1.00 0.00 C ATOM 0 H PHE B 168 4.880 8.794 0.715 1.00 0.00 H new ATOM 0 HA PHE B 168 6.594 6.739 1.593 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.615 7.778 2.772 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.562 6.912 1.671 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.436 6.193 3.965 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.690 4.893 2.408 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.489 4.257 5.470 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.739 2.958 3.919 1.00 0.00 H new ATOM 0 HZ PHE B 168 4.640 2.634 5.448 1.00 0.00 H new ATOM 2345 N ILE B 169 4.428 5.881 -0.745 1.00 0.00 N ATOM 2346 CA ILE B 169 4.048 4.895 -1.791 1.00 0.00 C ATOM 2347 C ILE B 169 5.212 4.589 -2.778 1.00 0.00 C ATOM 2348 O ILE B 169 5.305 3.464 -3.374 1.00 0.00 O ATOM 2349 CB ILE B 169 2.835 5.440 -2.602 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.627 5.651 -1.692 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.468 4.506 -3.740 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.489 6.377 -2.368 1.00 0.00 C ATOM 0 H ILE B 169 3.817 6.697 -0.732 1.00 0.00 H new ATOM 0 HA ILE B 169 3.793 3.968 -1.278 1.00 0.00 H new ATOM 0 HB ILE B 169 3.130 6.399 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.273 4.682 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.938 6.215 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.618 4.915 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.318 4.403 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.204 3.528 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.336 6.494 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.828 7.360 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.153 5.803 -3.231 1.00 0.00 H new ATOM 2364 N HIS B 170 6.046 5.593 -2.994 1.00 0.00 N ATOM 2365 CA HIS B 170 7.127 5.511 -3.973 1.00 0.00 C ATOM 2366 C HIS B 170 8.540 5.567 -3.346 1.00 0.00 C ATOM 2367 O HIS B 170 9.494 5.931 -4.023 1.00 0.00 O ATOM 2368 CB HIS B 170 6.957 6.618 -5.034 1.00 0.00 C ATOM 2369 CG HIS B 170 5.714 6.468 -5.872 1.00 0.00 C ATOM 2370 ND1 HIS B 170 4.477 6.930 -5.470 1.00 0.00 N ATOM 2371 CD2 HIS B 170 5.517 5.882 -7.080 1.00 0.00 C ATOM 2372 CE1 HIS B 170 3.575 6.625 -6.395 1.00 0.00 C ATOM 2373 NE2 HIS B 170 4.183 5.995 -7.373 1.00 0.00 N ATOM 0 H HIS B 170 5.997 6.485 -2.501 1.00 0.00 H new ATOM 0 HA HIS B 170 7.050 4.530 -4.443 1.00 0.00 H new ATOM 0 HB2 HIS B 170 6.933 7.587 -4.535 1.00 0.00 H new ATOM 0 HB3 HIS B 170 7.828 6.618 -5.689 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.286 7.427 -4.600 1.00 0.00 H new ATOM 0 HD2 HIS B 170 6.271 5.414 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS B 170 2.521 6.856 -6.350 1.00 0.00 H new ATOM 2382 N THR B 171 8.670 5.196 -2.097 1.00 0.00 N ATOM 2383 CA THR B 171 9.982 5.120 -1.449 1.00 0.00 C ATOM 2384 C THR B 171 10.308 3.671 -1.117 1.00 0.00 C ATOM 2385 O THR B 171 9.650 3.080 -0.289 1.00 0.00 O ATOM 2386 CB THR B 171 10.020 5.991 -0.163 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.000 7.382 -0.519 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.232 5.683 0.727 1.00 0.00 C ATOM 0 H THR B 171 7.888 4.938 -1.495 1.00 0.00 H new ATOM 0 HA THR B 171 10.732 5.508 -2.138 1.00 0.00 H new ATOM 0 HB THR B 171 9.133 5.746 0.422 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.078 7.714 -0.491 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.206 6.321 1.610 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.202 4.637 1.034 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.150 5.871 0.170 1.00 0.00 H new ATOM 2396 N SER B 172 11.306 3.101 -1.775 1.00 0.00 N ATOM 2397 CA SER B 172 11.658 1.712 -1.548 1.00 0.00 C ATOM 2398 C SER B 172 12.028 1.460 -0.072 1.00 0.00 C ATOM 2399 O SER B 172 12.586 2.336 0.612 1.00 0.00 O ATOM 2400 CB SER B 172 12.780 1.239 -2.502 1.00 0.00 C ATOM 2401 OG SER B 172 13.029 -0.155 -2.354 1.00 0.00 O ATOM 0 H SER B 172 11.883 3.578 -2.467 1.00 0.00 H new ATOM 0 HA SER B 172 10.774 1.115 -1.773 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.498 1.453 -3.533 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.693 1.798 -2.298 1.00 0.00 H new ATOM 0 HG SER B 172 12.177 -0.640 -2.338 1.00 0.00 H new ATOM 2407 N PHE B 173 11.738 0.251 0.395 1.00 0.00 N ATOM 2408 CA PHE B 173 11.925 -0.154 1.800 1.00 0.00 C ATOM 2409 C PHE B 173 13.401 -0.086 2.202 1.00 0.00 C ATOM 2410 O PHE B 173 13.742 -0.036 3.386 1.00 0.00 O ATOM 2411 CB PHE B 173 11.426 -1.593 1.999 1.00 0.00 C ATOM 2412 CG PHE B 173 10.109 -1.885 1.329 1.00 0.00 C ATOM 2413 CD1 PHE B 173 8.918 -1.495 1.902 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.074 -2.527 0.098 1.00 0.00 C ATOM 2415 CE1 PHE B 173 7.719 -1.731 1.266 1.00 0.00 C ATOM 2416 CE2 PHE B 173 8.878 -2.775 -0.537 1.00 0.00 C ATOM 2417 CZ PHE B 173 7.700 -2.374 0.045 1.00 0.00 C ATOM 0 H PHE B 173 11.361 -0.492 -0.193 1.00 0.00 H new ATOM 0 HA PHE B 173 11.355 0.534 2.425 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.177 -2.283 1.615 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.329 -1.788 3.067 1.00 0.00 H new ATOM 0 HD1 PHE B 173 8.925 -0.998 2.861 1.00 0.00 H new ATOM 0 HD2 PHE B 173 10.998 -2.836 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE B 173 6.794 -1.413 1.723 1.00 0.00 H new ATOM 0 HE2 PHE B 173 8.866 -3.283 -1.490 1.00 0.00 H new ATOM 0 HZ PHE B 173 6.760 -2.562 -0.452 1.00 0.00 H new