USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 802 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 501 MET CE :methyl 175:sc= -1.55 (180deg=-1.52) USER MOD Set 1.2: B 502 THR OG1 : rot 22:sc= -0.244 USER MOD Set 2.1: A 54 SER OG : rot -60:sc= 0.576 USER MOD Set 2.2: A 56 LYS NZ :NH3+ -115:sc= 0.107 (180deg=-1.66!) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -2.65 K(o=-2.7,f=-9.1!) USER MOD Single : A 19 ASN : amide:sc= 0.872 K(o=0.87,f=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0111 (180deg=-0.995!) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0.0487 (180deg=0.0293) USER MOD Single : A 25 ASN : amide:sc= -0.949 K(o=-0.95,f=-3.6!) USER MOD Single : A 31 ASN : amide:sc= 0.52 K(o=0.52,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 159:sc= -8.48! (180deg=-11.8!) USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.3 USER MOD Single : A 48 TYR OH : rot 55:sc= 1.27 USER MOD Single : A 49 THR OG1 : rot -87:sc= -1.7! USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.293) USER MOD Single : A 59 TYR OH : rot 76:sc= -2.48! USER MOD Single : A 61 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 65 TYR OH : rot -106:sc= 0.107 USER MOD Single : A 67 TYR OH : rot 54:sc= 1.2 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.72! C(o=-1.7!,f=-2.4!) USER MOD Single : A 73 SER OG : rot 43:sc= -3.49! USER MOD Single : A 76 SER OG : rot 19:sc= 0.148 USER MOD Single : A 90 LYS NZ :NH3+ -146:sc= -0.901 (180deg=-2.33!) USER MOD Single : A 91 CYS SG : rot 67:sc= -5.09! USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 100 MET CE :methyl -178:sc= -4.35! (180deg=-4.4!) USER MOD Single : A 102 GLN : amide:sc= -7! C(o=-7!,f=-10!) USER MOD Single : A 105 MET CE :methyl -117:sc= -4.15! (180deg=-9.12!) USER MOD Single : A 106 GLN : amide:sc= -2.21! C(o=-2.2!,f=-1.9!) USER MOD Single : A 107 ASN : amide:sc= 1.04 K(o=1,f=-0.31) USER MOD Single : A 108 ASN : amide:sc= -2.84! C(o=-2.8!,f=-2.2!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN : amide:sc= -2.33 K(o=-2.3,f=-6.9!) USER MOD Single : B 511 GLN : amide:sc= -6.23! C(o=-6.2!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.664 12.231 -0.149 1.00 0.00 N ATOM 174 CA ASN A 19 -1.198 10.976 0.423 1.00 0.00 C ATOM 175 C ASN A 19 -2.243 10.335 1.342 1.00 0.00 C ATOM 176 O ASN A 19 -2.330 9.111 1.427 1.00 0.00 O ATOM 177 CB ASN A 19 0.112 11.193 1.182 1.00 0.00 C ATOM 178 CG ASN A 19 -0.106 11.483 2.655 1.00 0.00 C ATOM 179 OD1 ASN A 19 -0.375 12.617 3.043 1.00 0.00 O ATOM 180 ND2 ASN A 19 0.030 10.463 3.482 1.00 0.00 N ATOM 0 HA ASN A 19 -1.027 10.287 -0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.738 10.307 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.656 12.022 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.089 10.601 4.486 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.254 9.537 3.117 1.00 0.00 H new ATOM 187 N LYS A 20 -3.026 11.149 2.031 1.00 0.00 N ATOM 188 CA LYS A 20 -4.045 10.633 2.922 1.00 0.00 C ATOM 189 C LYS A 20 -5.313 10.364 2.121 1.00 0.00 C ATOM 190 O LYS A 20 -6.045 11.293 1.775 1.00 0.00 O ATOM 191 CB LYS A 20 -4.323 11.663 4.025 1.00 0.00 C ATOM 192 CG LYS A 20 -5.370 11.223 5.035 1.00 0.00 C ATOM 193 CD LYS A 20 -4.831 10.194 6.001 1.00 0.00 C ATOM 194 CE LYS A 20 -4.286 10.803 7.279 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.226 11.815 7.027 1.00 0.00 N ATOM 0 H LYS A 20 -2.974 12.167 1.989 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.707 9.705 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.393 11.876 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.648 12.595 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.724 12.091 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.230 10.810 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.624 9.489 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.041 9.624 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.102 11.268 7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.884 10.011 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.662 11.949 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.609 11.487 6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.665 12.718 6.757 1.00 0.00 H new ATOM 209 N PHE A 21 -5.578 9.097 1.841 1.00 0.00 N ATOM 210 CA PHE A 21 -6.777 8.724 1.102 1.00 0.00 C ATOM 211 C PHE A 21 -7.728 7.916 1.952 1.00 0.00 C ATOM 212 O PHE A 21 -7.348 6.923 2.548 1.00 0.00 O ATOM 213 CB PHE A 21 -6.407 7.931 -0.151 1.00 0.00 C ATOM 214 CG PHE A 21 -5.912 8.783 -1.279 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.342 10.095 -1.438 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.000 8.274 -2.175 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.861 10.865 -2.476 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.520 9.029 -3.193 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.944 10.325 -3.352 1.00 0.00 C ATOM 0 H PHE A 21 -4.984 8.313 2.112 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.280 9.647 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.639 7.201 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.280 7.371 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.057 10.514 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.661 7.255 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.200 11.883 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.801 8.610 -3.882 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.558 10.922 -4.165 1.00 0.00 H new ATOM 229 N LYS A 22 -8.966 8.352 2.011 1.00 0.00 N ATOM 230 CA LYS A 22 -10.003 7.592 2.680 1.00 0.00 C ATOM 231 C LYS A 22 -10.391 6.382 1.843 1.00 0.00 C ATOM 232 O LYS A 22 -11.070 6.510 0.824 1.00 0.00 O ATOM 233 CB LYS A 22 -11.216 8.473 2.930 1.00 0.00 C ATOM 234 CG LYS A 22 -11.318 8.999 4.342 1.00 0.00 C ATOM 235 CD LYS A 22 -11.612 7.887 5.333 1.00 0.00 C ATOM 236 CE LYS A 22 -13.027 7.366 5.185 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.298 6.223 6.094 1.00 0.00 N ATOM 0 H LYS A 22 -9.282 9.232 1.603 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.621 7.242 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.186 9.317 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.117 7.905 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.386 9.493 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.105 9.751 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.906 7.070 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.464 8.255 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.733 8.170 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.193 7.056 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.194 5.769 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.524 5.532 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.366 6.567 7.073 1.00 0.00 H new ATOM 251 N VAL A 23 -9.941 5.213 2.267 1.00 0.00 N ATOM 252 CA VAL A 23 -10.251 3.984 1.573 1.00 0.00 C ATOM 253 C VAL A 23 -11.389 3.270 2.276 1.00 0.00 C ATOM 254 O VAL A 23 -11.948 3.765 3.249 1.00 0.00 O ATOM 255 CB VAL A 23 -9.022 3.046 1.522 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.841 3.759 0.901 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.665 2.548 2.911 1.00 0.00 C ATOM 0 H VAL A 23 -9.356 5.094 3.094 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.540 4.238 0.553 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.276 2.185 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.984 3.086 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.094 4.068 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.592 4.638 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.798 1.890 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.432 3.397 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.509 1.998 3.328 1.00 0.00 H new ATOM 267 N ILE A 24 -11.744 2.118 1.782 1.00 0.00 N ATOM 268 CA ILE A 24 -12.716 1.298 2.451 1.00 0.00 C ATOM 269 C ILE A 24 -12.177 -0.110 2.630 1.00 0.00 C ATOM 270 O ILE A 24 -12.112 -0.856 1.670 1.00 0.00 O ATOM 271 CB ILE A 24 -14.010 1.189 1.651 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.741 2.506 1.515 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.921 0.223 2.322 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.579 2.554 0.255 1.00 0.00 C ATOM 0 H ILE A 24 -11.375 1.724 0.917 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.918 1.770 3.413 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.731 0.858 0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.381 2.658 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.020 3.323 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.848 0.142 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.441 -0.754 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.143 0.573 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.088 3.516 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.935 2.428 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.318 1.753 0.279 1.00 0.00 H new ATOM 286 N ASN A 25 -11.791 -0.494 3.827 1.00 0.00 N ATOM 287 CA ASN A 25 -11.354 -1.863 4.029 1.00 0.00 C ATOM 288 C ASN A 25 -12.519 -2.814 3.730 1.00 0.00 C ATOM 289 O ASN A 25 -13.567 -2.762 4.384 1.00 0.00 O ATOM 290 CB ASN A 25 -10.803 -2.037 5.452 1.00 0.00 C ATOM 291 CG ASN A 25 -10.926 -3.442 6.019 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.886 -4.435 5.302 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.077 -3.525 7.332 1.00 0.00 N ATOM 0 H ASN A 25 -11.769 0.101 4.655 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.542 -2.106 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.751 -1.750 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.325 -1.347 6.115 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.165 -4.438 7.779 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.106 -2.676 7.897 1.00 0.00 H new ATOM 300 N VAL A 26 -12.335 -3.651 2.710 1.00 0.00 N ATOM 301 CA VAL A 26 -13.407 -4.494 2.191 1.00 0.00 C ATOM 302 C VAL A 26 -12.918 -5.934 2.048 1.00 0.00 C ATOM 303 O VAL A 26 -11.868 -6.180 1.458 1.00 0.00 O ATOM 304 CB VAL A 26 -13.892 -3.943 0.829 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.618 -2.625 1.043 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.736 -3.738 -0.125 1.00 0.00 C ATOM 0 H VAL A 26 -11.445 -3.762 2.224 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.244 -4.484 2.889 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.570 -4.674 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.959 -2.238 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.476 -2.784 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.940 -1.907 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.110 -3.350 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.031 -3.026 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.232 -4.689 -0.296 1.00 0.00 H new ATOM 316 N ASP A 27 -13.669 -6.898 2.576 1.00 0.00 N ATOM 317 CA ASP A 27 -13.175 -8.274 2.588 1.00 0.00 C ATOM 318 C ASP A 27 -13.994 -9.211 1.718 1.00 0.00 C ATOM 319 O ASP A 27 -15.204 -9.334 1.907 1.00 0.00 O ATOM 320 CB ASP A 27 -13.153 -8.854 4.005 1.00 0.00 C ATOM 321 CG ASP A 27 -11.987 -8.387 4.848 1.00 0.00 C ATOM 322 OD1 ASP A 27 -12.025 -7.250 5.349 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.047 -9.184 5.055 1.00 0.00 O ATOM 0 H ASP A 27 -14.592 -6.761 2.989 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.164 -8.210 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.082 -8.587 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.127 -9.942 3.940 1.00 0.00 H new ATOM 328 N ASP A 28 -13.283 -9.884 0.802 1.00 0.00 N ATOM 329 CA ASP A 28 -13.784 -10.991 -0.051 1.00 0.00 C ATOM 330 C ASP A 28 -15.141 -10.722 -0.728 1.00 0.00 C ATOM 331 O ASP A 28 -15.684 -11.579 -1.420 1.00 0.00 O ATOM 332 CB ASP A 28 -13.869 -12.274 0.779 1.00 0.00 C ATOM 333 CG ASP A 28 -13.977 -13.521 -0.078 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.933 -13.992 -0.573 1.00 0.00 O ATOM 335 OD2 ASP A 28 -15.102 -14.037 -0.254 1.00 0.00 O ATOM 0 H ASP A 28 -12.302 -9.669 0.622 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.065 -11.089 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.986 -12.350 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.733 -12.217 1.441 1.00 0.00 H new ATOM 340 N ASP A 29 -15.659 -9.529 -0.568 1.00 0.00 N ATOM 341 CA ASP A 29 -16.932 -9.155 -1.152 1.00 0.00 C ATOM 342 C ASP A 29 -16.812 -7.749 -1.709 1.00 0.00 C ATOM 343 O ASP A 29 -17.699 -7.243 -2.385 1.00 0.00 O ATOM 344 CB ASP A 29 -18.039 -9.221 -0.092 1.00 0.00 C ATOM 345 CG ASP A 29 -19.416 -8.909 -0.650 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.915 -9.693 -1.481 1.00 0.00 O ATOM 347 OD2 ASP A 29 -20.006 -7.882 -0.259 1.00 0.00 O ATOM 0 H ASP A 29 -15.213 -8.786 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.192 -9.846 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.050 -10.217 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.810 -8.518 0.709 1.00 0.00 H new ATOM 352 N GLY A 30 -15.660 -7.140 -1.434 1.00 0.00 N ATOM 353 CA GLY A 30 -15.474 -5.729 -1.701 1.00 0.00 C ATOM 354 C GLY A 30 -16.424 -4.932 -0.852 1.00 0.00 C ATOM 355 O GLY A 30 -16.781 -3.807 -1.182 1.00 0.00 O ATOM 0 H GLY A 30 -14.849 -7.606 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.446 -5.439 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.650 -5.521 -2.756 1.00 0.00 H new ATOM 359 N ASN A 31 -16.825 -5.534 0.258 1.00 0.00 N ATOM 360 CA ASN A 31 -17.816 -4.946 1.130 1.00 0.00 C ATOM 361 C ASN A 31 -17.149 -4.144 2.204 1.00 0.00 C ATOM 362 O ASN A 31 -16.251 -4.644 2.875 1.00 0.00 O ATOM 363 CB ASN A 31 -18.674 -6.022 1.780 1.00 0.00 C ATOM 364 CG ASN A 31 -20.042 -5.501 2.164 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.227 -4.932 3.239 1.00 0.00 O ATOM 366 ND2 ASN A 31 -21.011 -5.696 1.290 1.00 0.00 N ATOM 0 H ASN A 31 -16.472 -6.438 0.573 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.451 -4.299 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.785 -6.861 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.168 -6.402 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.956 -5.370 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.815 -6.173 0.410 1.00 0.00 H new ATOM 373 N GLU A 32 -17.555 -2.888 2.323 1.00 0.00 N ATOM 374 CA GLU A 32 -17.051 -1.998 3.347 1.00 0.00 C ATOM 375 C GLU A 32 -17.278 -2.569 4.751 1.00 0.00 C ATOM 376 O GLU A 32 -18.230 -2.193 5.435 1.00 0.00 O ATOM 377 CB GLU A 32 -17.756 -0.649 3.212 1.00 0.00 C ATOM 378 CG GLU A 32 -17.919 -0.228 1.760 1.00 0.00 C ATOM 379 CD GLU A 32 -19.306 -0.478 1.226 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.616 -1.646 0.919 1.00 0.00 O ATOM 381 OE2 GLU A 32 -20.075 0.489 1.082 1.00 0.00 O ATOM 0 H GLU A 32 -18.246 -2.460 1.707 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.976 -1.880 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.737 -0.705 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.187 0.111 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.686 0.833 1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.197 -0.768 1.148 1.00 0.00 H new ATOM 388 N LEU A 33 -16.410 -3.484 5.164 1.00 0.00 N ATOM 389 CA LEU A 33 -16.511 -4.117 6.471 1.00 0.00 C ATOM 390 C LEU A 33 -15.816 -3.269 7.520 1.00 0.00 C ATOM 391 O LEU A 33 -16.029 -3.439 8.722 1.00 0.00 O ATOM 392 CB LEU A 33 -15.910 -5.525 6.427 1.00 0.00 C ATOM 393 CG LEU A 33 -16.884 -6.652 6.055 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.965 -6.140 5.135 1.00 0.00 C ATOM 395 CD2 LEU A 33 -16.151 -7.780 5.363 1.00 0.00 C ATOM 0 H LEU A 33 -15.620 -3.806 4.605 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.564 -4.202 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.089 -5.528 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.481 -5.748 7.404 1.00 0.00 H new ATOM 0 HG LEU A 33 -17.334 -7.019 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.645 -6.954 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.520 -5.345 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.512 -5.750 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.857 -8.570 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.681 -7.405 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.386 -8.179 6.029 1.00 0.00 H new ATOM 407 N GLY A 34 -14.980 -2.361 7.043 1.00 0.00 N ATOM 408 CA GLY A 34 -14.318 -1.422 7.912 1.00 0.00 C ATOM 409 C GLY A 34 -13.636 -0.327 7.127 1.00 0.00 C ATOM 410 O GLY A 34 -12.411 -0.285 7.055 1.00 0.00 O ATOM 0 H GLY A 34 -14.748 -2.260 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.045 -0.983 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.582 -1.946 8.522 1.00 0.00 H new ATOM 414 N SER A 35 -14.420 0.564 6.534 1.00 0.00 N ATOM 415 CA SER A 35 -13.863 1.596 5.675 1.00 0.00 C ATOM 416 C SER A 35 -12.864 2.455 6.455 1.00 0.00 C ATOM 417 O SER A 35 -13.127 2.861 7.587 1.00 0.00 O ATOM 418 CB SER A 35 -14.973 2.443 5.051 1.00 0.00 C ATOM 419 OG SER A 35 -15.758 3.078 6.045 1.00 0.00 O ATOM 0 H SER A 35 -15.435 0.592 6.632 1.00 0.00 H new ATOM 0 HA SER A 35 -13.324 1.118 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.534 3.195 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.609 1.812 4.430 1.00 0.00 H new ATOM 0 HG SER A 35 -16.458 3.613 5.616 1.00 0.00 H new ATOM 425 N GLY A 36 -11.717 2.724 5.849 1.00 0.00 N ATOM 426 CA GLY A 36 -10.612 3.311 6.581 1.00 0.00 C ATOM 427 C GLY A 36 -9.948 4.449 5.832 1.00 0.00 C ATOM 428 O GLY A 36 -10.550 5.075 4.973 1.00 0.00 O ATOM 0 H GLY A 36 -11.531 2.546 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.973 3.677 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.871 2.540 6.791 1.00 0.00 H new ATOM 432 N ILE A 37 -8.720 4.735 6.202 1.00 0.00 N ATOM 433 CA ILE A 37 -7.841 5.590 5.425 1.00 0.00 C ATOM 434 C ILE A 37 -6.753 4.723 4.836 1.00 0.00 C ATOM 435 O ILE A 37 -6.558 3.622 5.268 1.00 0.00 O ATOM 436 CB ILE A 37 -7.132 6.642 6.311 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.111 7.655 6.907 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.064 7.386 5.518 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.457 8.792 5.970 1.00 0.00 C ATOM 0 H ILE A 37 -8.296 4.379 7.059 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.443 6.097 4.671 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.669 6.093 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.028 7.138 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.682 8.067 7.821 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.579 8.120 6.161 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.321 6.676 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.527 7.894 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.155 9.469 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.550 9.335 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.916 8.392 5.066 1.00 0.00 H new ATOM 451 N MET A 38 -6.041 5.224 3.884 1.00 0.00 N ATOM 452 CA MET A 38 -4.813 4.623 3.489 1.00 0.00 C ATOM 453 C MET A 38 -3.808 5.735 3.266 1.00 0.00 C ATOM 454 O MET A 38 -3.760 6.367 2.212 1.00 0.00 O ATOM 455 CB MET A 38 -4.998 3.752 2.275 1.00 0.00 C ATOM 456 CG MET A 38 -3.800 2.921 1.978 1.00 0.00 C ATOM 457 SD MET A 38 -3.463 1.757 3.293 1.00 0.00 S ATOM 458 CE MET A 38 -5.110 1.088 3.439 1.00 0.00 C ATOM 0 H MET A 38 -6.294 6.061 3.358 1.00 0.00 H new ATOM 0 HA MET A 38 -4.441 3.957 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.858 3.101 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.223 4.380 1.413 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.954 2.381 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.935 3.568 1.833 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.065 0.111 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.724 1.760 4.039 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.550 0.983 2.447 1.00 0.00 H new ATOM 468 N GLU A 39 -3.061 5.996 4.317 1.00 0.00 N ATOM 469 CA GLU A 39 -2.123 7.090 4.389 1.00 0.00 C ATOM 470 C GLU A 39 -0.845 6.708 3.657 1.00 0.00 C ATOM 471 O GLU A 39 -0.017 5.970 4.196 1.00 0.00 O ATOM 472 CB GLU A 39 -1.801 7.276 5.854 1.00 0.00 C ATOM 473 CG GLU A 39 -0.684 8.238 6.178 1.00 0.00 C ATOM 474 CD GLU A 39 -1.171 9.578 6.660 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.422 9.718 7.876 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.306 10.501 5.836 1.00 0.00 O ATOM 0 H GLU A 39 -3.092 5.435 5.168 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.534 7.995 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.703 7.617 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.547 6.303 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.044 7.796 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.069 8.381 5.290 1.00 0.00 H new ATOM 483 N LEU A 40 -0.685 7.171 2.443 1.00 0.00 N ATOM 484 CA LEU A 40 0.472 6.796 1.668 1.00 0.00 C ATOM 485 C LEU A 40 1.679 7.662 1.990 1.00 0.00 C ATOM 486 O LEU A 40 1.753 8.817 1.582 1.00 0.00 O ATOM 487 CB LEU A 40 0.148 6.886 0.194 1.00 0.00 C ATOM 488 CG LEU A 40 -0.230 5.572 -0.465 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.533 5.828 -1.909 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.909 4.577 -0.342 1.00 0.00 C ATOM 0 H LEU A 40 -1.334 7.802 1.973 1.00 0.00 H new ATOM 0 HA LEU A 40 0.729 5.769 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.673 7.590 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.011 7.300 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.107 5.153 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.806 4.891 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.361 6.533 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.347 6.246 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.625 3.639 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.797 4.978 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.124 4.398 0.712 1.00 0.00 H new ATOM 502 N THR A 41 2.624 7.108 2.725 1.00 0.00 N ATOM 503 CA THR A 41 3.851 7.823 3.012 1.00 0.00 C ATOM 504 C THR A 41 5.039 7.129 2.362 1.00 0.00 C ATOM 505 O THR A 41 4.856 6.269 1.508 1.00 0.00 O ATOM 506 CB THR A 41 4.103 7.968 4.510 1.00 0.00 C ATOM 507 OG1 THR A 41 4.325 6.688 5.115 1.00 0.00 O ATOM 508 CG2 THR A 41 2.935 8.664 5.188 1.00 0.00 C ATOM 0 H THR A 41 2.567 6.174 3.131 1.00 0.00 H new ATOM 0 HA THR A 41 3.735 8.823 2.595 1.00 0.00 H new ATOM 0 HB THR A 41 4.998 8.577 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.550 6.110 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.136 8.757 6.255 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.802 9.656 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.027 8.079 5.039 1.00 0.00 H new ATOM 516 N ASP A 42 6.246 7.500 2.784 1.00 0.00 N ATOM 517 CA ASP A 42 7.476 6.949 2.217 1.00 0.00 C ATOM 518 C ASP A 42 7.507 5.454 2.304 1.00 0.00 C ATOM 519 O ASP A 42 7.768 4.773 1.317 1.00 0.00 O ATOM 520 CB ASP A 42 8.703 7.484 2.944 1.00 0.00 C ATOM 521 CG ASP A 42 8.816 8.994 2.911 1.00 0.00 C ATOM 522 OD1 ASP A 42 8.486 9.612 1.873 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.236 9.576 3.935 1.00 0.00 O ATOM 0 H ASP A 42 6.399 8.186 3.523 1.00 0.00 H new ATOM 0 HA ASP A 42 7.493 7.255 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.673 7.153 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.598 7.051 2.497 1.00 0.00 H new ATOM 528 N THR A 43 7.273 4.926 3.477 1.00 0.00 N ATOM 529 CA THR A 43 7.444 3.518 3.643 1.00 0.00 C ATOM 530 C THR A 43 6.270 2.864 4.331 1.00 0.00 C ATOM 531 O THR A 43 6.210 1.650 4.391 1.00 0.00 O ATOM 532 CB THR A 43 8.691 3.200 4.463 1.00 0.00 C ATOM 533 OG1 THR A 43 8.468 3.517 5.842 1.00 0.00 O ATOM 534 CG2 THR A 43 9.894 3.980 3.970 1.00 0.00 C ATOM 0 H THR A 43 6.972 5.437 4.307 1.00 0.00 H new ATOM 0 HA THR A 43 7.536 3.121 2.632 1.00 0.00 H new ATOM 0 HB THR A 43 8.893 2.135 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.273 3.308 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.764 3.729 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.092 3.724 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.692 5.048 4.049 1.00 0.00 H new ATOM 542 N GLU A 44 5.358 3.635 4.885 1.00 0.00 N ATOM 543 CA GLU A 44 4.239 3.029 5.575 1.00 0.00 C ATOM 544 C GLU A 44 2.908 3.525 5.067 1.00 0.00 C ATOM 545 O GLU A 44 2.624 4.722 5.024 1.00 0.00 O ATOM 546 CB GLU A 44 4.333 3.217 7.081 1.00 0.00 C ATOM 547 CG GLU A 44 5.089 2.110 7.783 1.00 0.00 C ATOM 548 CD GLU A 44 5.376 2.420 9.232 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.329 3.173 9.514 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.653 1.900 10.104 1.00 0.00 O ATOM 0 H GLU A 44 5.366 4.655 4.873 1.00 0.00 H new ATOM 0 HA GLU A 44 4.297 1.962 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.821 4.169 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.326 3.278 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.512 1.188 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.030 1.932 7.262 1.00 0.00 H new ATOM 557 N LEU A 45 2.109 2.565 4.681 1.00 0.00 N ATOM 558 CA LEU A 45 0.744 2.778 4.290 1.00 0.00 C ATOM 559 C LEU A 45 -0.142 2.752 5.522 1.00 0.00 C ATOM 560 O LEU A 45 -0.596 1.698 5.958 1.00 0.00 O ATOM 561 CB LEU A 45 0.371 1.674 3.304 1.00 0.00 C ATOM 562 CG LEU A 45 0.551 2.003 1.847 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.001 0.780 1.083 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.750 2.475 1.289 1.00 0.00 C ATOM 0 H LEU A 45 2.399 1.589 4.629 1.00 0.00 H new ATOM 0 HA LEU A 45 0.610 3.748 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.969 0.792 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.672 1.404 3.469 1.00 0.00 H new ATOM 0 HG LEU A 45 1.309 2.781 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.127 1.034 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.950 0.427 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.251 -0.005 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.627 2.715 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.499 1.690 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.076 3.365 1.828 1.00 0.00 H new ATOM 576 N ILE A 46 -0.369 3.923 6.094 1.00 0.00 N ATOM 577 CA ILE A 46 -1.075 4.017 7.356 1.00 0.00 C ATOM 578 C ILE A 46 -2.602 4.013 7.115 1.00 0.00 C ATOM 579 O ILE A 46 -3.213 5.047 6.872 1.00 0.00 O ATOM 580 CB ILE A 46 -0.652 5.274 8.181 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.864 5.364 8.328 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.293 5.212 9.523 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.535 4.030 8.451 1.00 0.00 C ATOM 0 H ILE A 46 -0.075 4.818 5.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.803 3.143 7.947 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.983 6.166 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.274 5.889 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.100 5.963 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.003 6.086 10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.377 5.196 9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.970 4.308 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.611 4.172 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.153 3.510 9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.329 3.436 7.561 1.00 0.00 H new ATOM 595 N LEU A 47 -3.207 2.839 7.182 1.00 0.00 N ATOM 596 CA LEU A 47 -4.652 2.683 7.010 1.00 0.00 C ATOM 597 C LEU A 47 -5.373 3.110 8.288 1.00 0.00 C ATOM 598 O LEU A 47 -5.208 2.479 9.322 1.00 0.00 O ATOM 599 CB LEU A 47 -4.974 1.217 6.789 1.00 0.00 C ATOM 600 CG LEU A 47 -6.394 0.768 7.182 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.475 1.283 6.246 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.449 -0.726 7.239 1.00 0.00 C ATOM 0 H LEU A 47 -2.715 1.963 7.357 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.970 3.291 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.821 0.987 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.257 0.620 7.352 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.598 1.201 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.448 0.928 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.467 2.373 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.286 0.918 5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.454 -1.043 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.197 -1.137 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.736 -1.088 7.980 1.00 0.00 H new ATOM 614 N TYR A 48 -6.179 4.146 8.242 1.00 0.00 N ATOM 615 CA TYR A 48 -6.893 4.559 9.450 1.00 0.00 C ATOM 616 C TYR A 48 -8.232 3.861 9.525 1.00 0.00 C ATOM 617 O TYR A 48 -9.181 4.277 8.872 1.00 0.00 O ATOM 618 CB TYR A 48 -7.129 6.062 9.500 1.00 0.00 C ATOM 619 CG TYR A 48 -5.894 6.856 9.733 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.849 6.690 8.891 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.775 7.764 10.773 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.703 7.383 9.031 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.611 8.484 10.939 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.569 8.290 10.058 1.00 0.00 C ATOM 625 OH TYR A 48 -2.406 9.012 10.196 1.00 0.00 O ATOM 0 H TYR A 48 -6.360 4.710 7.412 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.264 4.282 10.296 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.583 6.380 8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.846 6.282 10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.936 5.980 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.598 7.908 11.457 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.889 7.227 8.338 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.517 9.191 11.750 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.212 9.483 9.359 1.00 0.00 H new ATOM 635 N THR A 49 -8.325 2.813 10.315 1.00 0.00 N ATOM 636 CA THR A 49 -9.580 2.092 10.423 1.00 0.00 C ATOM 637 C THR A 49 -10.537 2.812 11.370 1.00 0.00 C ATOM 638 O THR A 49 -10.219 3.889 11.880 1.00 0.00 O ATOM 639 CB THR A 49 -9.382 0.661 10.904 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.658 0.667 12.119 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.647 -0.147 9.863 1.00 0.00 C ATOM 0 H THR A 49 -7.563 2.444 10.884 1.00 0.00 H new ATOM 0 HA THR A 49 -10.008 2.059 9.421 1.00 0.00 H new ATOM 0 HB THR A 49 -10.357 0.203 11.069 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.697 0.672 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.513 -1.167 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.224 -0.160 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.672 0.302 9.676 1.00 0.00 H new ATOM 649 N ARG A 50 -11.700 2.232 11.617 1.00 0.00 N ATOM 650 CA ARG A 50 -12.646 2.837 12.544 1.00 0.00 C ATOM 651 C ARG A 50 -12.382 2.369 13.959 1.00 0.00 C ATOM 652 O ARG A 50 -12.368 3.151 14.906 1.00 0.00 O ATOM 653 CB ARG A 50 -14.083 2.551 12.183 1.00 0.00 C ATOM 654 CG ARG A 50 -14.259 2.142 10.759 1.00 0.00 C ATOM 655 CD ARG A 50 -14.096 0.660 10.655 1.00 0.00 C ATOM 656 NE ARG A 50 -15.278 -0.056 11.115 1.00 0.00 N ATOM 657 CZ ARG A 50 -15.325 -1.370 11.309 1.00 0.00 C ATOM 658 NH1 ARG A 50 -14.248 -2.116 11.104 1.00 0.00 N ATOM 659 NH2 ARG A 50 -16.449 -1.933 11.718 1.00 0.00 N ATOM 0 H ARG A 50 -12.010 1.356 11.196 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.495 3.914 12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.464 1.762 12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.684 3.440 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.245 2.438 10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.526 2.647 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.890 0.390 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.233 0.349 11.243 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.123 0.485 11.300 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.378 -1.682 10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.290 -3.124 11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.276 -1.359 11.883 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.489 -2.941 11.868 1.00 0.00 H new ATOM 673 N LYS A 51 -12.169 1.074 14.084 1.00 0.00 N ATOM 674 CA LYS A 51 -12.088 0.425 15.377 1.00 0.00 C ATOM 675 C LYS A 51 -10.674 -0.073 15.656 1.00 0.00 C ATOM 676 O LYS A 51 -10.213 -0.092 16.796 1.00 0.00 O ATOM 677 CB LYS A 51 -13.056 -0.734 15.381 1.00 0.00 C ATOM 678 CG LYS A 51 -14.444 -0.332 14.948 1.00 0.00 C ATOM 679 CD LYS A 51 -15.218 0.218 16.125 1.00 0.00 C ATOM 680 CE LYS A 51 -15.329 1.715 16.066 1.00 0.00 C ATOM 681 NZ LYS A 51 -16.292 2.169 15.028 1.00 0.00 N ATOM 0 H LYS A 51 -12.047 0.442 13.292 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.343 1.140 16.159 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.684 -1.515 14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.101 -1.161 16.383 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.384 0.418 14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.966 -1.193 14.530 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.216 -0.221 16.141 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.726 -0.074 17.053 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.643 2.092 17.039 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.348 2.142 15.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.969 3.073 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.350 1.456 14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.231 2.296 15.457 1.00 0.00 H new ATOM 695 N ARG A 52 -9.999 -0.460 14.588 1.00 0.00 N ATOM 696 CA ARG A 52 -8.688 -1.096 14.655 1.00 0.00 C ATOM 697 C ARG A 52 -7.555 -0.063 14.782 1.00 0.00 C ATOM 698 O ARG A 52 -6.401 -0.420 15.034 1.00 0.00 O ATOM 699 CB ARG A 52 -8.530 -1.948 13.386 1.00 0.00 C ATOM 700 CG ARG A 52 -7.133 -2.469 13.116 1.00 0.00 C ATOM 701 CD ARG A 52 -6.723 -3.514 14.132 1.00 0.00 C ATOM 702 NE ARG A 52 -7.317 -4.814 13.826 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.760 -5.979 14.139 1.00 0.00 C ATOM 704 NH1 ARG A 52 -5.647 -6.019 14.857 1.00 0.00 N ATOM 705 NH2 ARG A 52 -7.330 -7.111 13.756 1.00 0.00 N ATOM 0 H ARG A 52 -10.347 -0.342 13.637 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.621 -1.720 15.546 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.208 -2.798 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.849 -1.354 12.529 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.091 -2.898 12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.424 -1.641 13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.637 -3.603 14.147 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.031 -3.196 15.128 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.215 -4.828 13.342 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.213 -5.152 15.173 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.225 -6.917 15.094 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.198 -7.089 13.220 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.901 -8.005 13.997 1.00 0.00 H new ATOM 719 N ASP A 53 -7.912 1.214 14.638 1.00 0.00 N ATOM 720 CA ASP A 53 -6.955 2.312 14.602 1.00 0.00 C ATOM 721 C ASP A 53 -6.067 2.242 13.358 1.00 0.00 C ATOM 722 O ASP A 53 -6.159 1.309 12.559 1.00 0.00 O ATOM 723 CB ASP A 53 -6.158 2.342 15.912 1.00 0.00 C ATOM 724 CG ASP A 53 -4.836 3.092 15.853 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.854 4.327 15.645 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.773 2.454 16.008 1.00 0.00 O ATOM 0 H ASP A 53 -8.882 1.514 14.543 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.492 3.257 14.522 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.779 2.794 16.685 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.961 1.316 16.221 1.00 0.00 H new ATOM 731 N SER A 54 -5.282 3.283 13.171 1.00 0.00 N ATOM 732 CA SER A 54 -4.336 3.385 12.074 1.00 0.00 C ATOM 733 C SER A 54 -3.445 2.153 11.996 1.00 0.00 C ATOM 734 O SER A 54 -2.484 1.998 12.750 1.00 0.00 O ATOM 735 CB SER A 54 -3.482 4.640 12.223 1.00 0.00 C ATOM 736 OG SER A 54 -2.880 4.707 13.505 1.00 0.00 O ATOM 0 H SER A 54 -5.282 4.097 13.786 1.00 0.00 H new ATOM 0 HA SER A 54 -4.906 3.450 11.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.708 4.649 11.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.100 5.524 12.063 1.00 0.00 H new ATOM 0 HG SER A 54 -3.577 4.722 14.193 1.00 0.00 H new ATOM 742 N VAL A 55 -3.799 1.279 11.086 1.00 0.00 N ATOM 743 CA VAL A 55 -2.960 0.160 10.720 1.00 0.00 C ATOM 744 C VAL A 55 -1.882 0.681 9.803 1.00 0.00 C ATOM 745 O VAL A 55 -2.020 1.761 9.244 1.00 0.00 O ATOM 746 CB VAL A 55 -3.736 -0.928 9.974 1.00 0.00 C ATOM 747 CG1 VAL A 55 -2.911 -2.184 9.848 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.051 -1.230 10.643 1.00 0.00 C ATOM 0 H VAL A 55 -4.681 1.322 10.575 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.557 -0.282 11.631 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.949 -0.548 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.483 -2.943 9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.996 -1.965 9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.656 -2.553 10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.573 -2.007 10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.871 -1.574 11.661 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.662 -0.328 10.668 1.00 0.00 H new ATOM 758 N LYS A 56 -0.807 -0.046 9.653 1.00 0.00 N ATOM 759 CA LYS A 56 0.272 0.436 8.807 1.00 0.00 C ATOM 760 C LYS A 56 0.747 -0.666 7.874 1.00 0.00 C ATOM 761 O LYS A 56 0.775 -1.839 8.255 1.00 0.00 O ATOM 762 CB LYS A 56 1.496 0.928 9.587 1.00 0.00 C ATOM 763 CG LYS A 56 1.300 1.399 11.024 1.00 0.00 C ATOM 764 CD LYS A 56 0.174 2.381 11.256 1.00 0.00 C ATOM 765 CE LYS A 56 0.735 3.699 11.735 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.204 4.444 12.612 1.00 0.00 N ATOM 0 H LYS A 56 -0.648 -0.954 10.090 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.151 1.279 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.228 0.121 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.938 1.751 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.127 0.524 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.229 1.856 11.365 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.388 2.528 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.522 1.982 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.663 3.517 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.985 4.316 10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.489 5.328 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.046 3.861 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.265 4.665 13.514 1.00 0.00 H new ATOM 780 N TRP A 57 1.123 -0.294 6.659 1.00 0.00 N ATOM 781 CA TRP A 57 1.758 -1.231 5.750 1.00 0.00 C ATOM 782 C TRP A 57 3.079 -0.719 5.245 1.00 0.00 C ATOM 783 O TRP A 57 3.139 0.124 4.353 1.00 0.00 O ATOM 784 CB TRP A 57 0.840 -1.623 4.604 1.00 0.00 C ATOM 785 CG TRP A 57 -0.050 -2.721 5.048 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.222 -4.050 5.007 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.326 -2.584 5.654 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.822 -4.761 5.545 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.789 -3.879 5.949 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.126 -1.493 5.967 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -3.019 -4.100 6.550 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.342 -1.721 6.557 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.779 -3.008 6.844 1.00 0.00 C ATOM 0 H TRP A 57 0.999 0.646 6.283 1.00 0.00 H new ATOM 0 HA TRP A 57 1.960 -2.134 6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.248 -0.765 4.286 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.428 -1.941 3.743 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.127 -4.485 4.609 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.870 -5.776 5.630 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.797 -0.487 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.361 -5.099 6.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.975 -0.881 6.804 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.743 -3.146 7.311 1.00 0.00 H new ATOM 804 N HIS A 58 4.149 -1.232 5.833 1.00 0.00 N ATOM 805 CA HIS A 58 5.475 -0.848 5.412 1.00 0.00 C ATOM 806 C HIS A 58 5.750 -1.422 4.016 1.00 0.00 C ATOM 807 O HIS A 58 5.377 -2.549 3.699 1.00 0.00 O ATOM 808 CB HIS A 58 6.545 -1.305 6.415 1.00 0.00 C ATOM 809 CG HIS A 58 7.893 -0.724 6.115 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.772 -1.299 5.230 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.469 0.432 6.515 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.823 -0.512 5.077 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.670 0.541 5.854 1.00 0.00 N ATOM 0 H HIS A 58 4.120 -1.909 6.596 1.00 0.00 H new ATOM 0 HA HIS A 58 5.525 0.240 5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.243 -1.015 7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.610 -2.393 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.061 1.139 7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.664 -0.700 4.426 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.333 1.310 5.950 1.00 0.00 H new ATOM 822 N TYR A 59 6.396 -0.613 3.199 1.00 0.00 N ATOM 823 CA TYR A 59 6.608 -0.882 1.781 1.00 0.00 C ATOM 824 C TYR A 59 7.439 -2.129 1.520 1.00 0.00 C ATOM 825 O TYR A 59 7.318 -2.754 0.472 1.00 0.00 O ATOM 826 CB TYR A 59 7.296 0.324 1.172 1.00 0.00 C ATOM 827 CG TYR A 59 6.348 1.389 0.721 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.228 1.686 1.461 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.565 2.074 -0.451 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.337 2.646 1.051 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.692 3.040 -0.872 1.00 0.00 C ATOM 832 CZ TYR A 59 4.581 3.326 -0.122 1.00 0.00 C ATOM 833 OH TYR A 59 3.722 4.296 -0.548 1.00 0.00 O ATOM 0 H TYR A 59 6.800 0.272 3.506 1.00 0.00 H new ATOM 0 HA TYR A 59 5.634 -1.064 1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.984 0.748 1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.896 -0.001 0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.046 1.154 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.436 1.847 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.458 2.865 1.639 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.878 3.575 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 59 3.855 5.108 -0.015 1.00 0.00 H new ATOM 843 N LEU A 60 8.265 -2.494 2.483 1.00 0.00 N ATOM 844 CA LEU A 60 9.104 -3.685 2.377 1.00 0.00 C ATOM 845 C LEU A 60 8.279 -4.919 2.665 1.00 0.00 C ATOM 846 O LEU A 60 8.802 -5.998 2.940 1.00 0.00 O ATOM 847 CB LEU A 60 10.286 -3.599 3.341 1.00 0.00 C ATOM 848 CG LEU A 60 11.626 -3.268 2.694 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.134 -4.434 1.860 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.487 -2.032 1.847 1.00 0.00 C ATOM 0 H LEU A 60 8.377 -1.981 3.357 1.00 0.00 H new ATOM 0 HA LEU A 60 9.497 -3.748 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.067 -2.842 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.378 -4.551 3.864 1.00 0.00 H new ATOM 0 HG LEU A 60 12.357 -3.082 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.091 -4.170 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.262 -5.309 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.414 -4.660 1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.446 -1.797 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.743 -2.206 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.171 -1.197 2.472 1.00 0.00 H new ATOM 862 N CYS A 61 6.980 -4.741 2.626 1.00 0.00 N ATOM 863 CA CYS A 61 6.074 -5.804 2.934 1.00 0.00 C ATOM 864 C CYS A 61 5.033 -5.961 1.834 1.00 0.00 C ATOM 865 O CYS A 61 4.463 -7.040 1.672 1.00 0.00 O ATOM 866 CB CYS A 61 5.407 -5.528 4.283 1.00 0.00 C ATOM 867 SG CYS A 61 4.402 -6.885 4.917 1.00 0.00 S ATOM 0 H CYS A 61 6.531 -3.859 2.381 1.00 0.00 H new ATOM 0 HA CYS A 61 6.629 -6.740 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.180 -5.294 5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.779 -4.642 4.188 1.00 0.00 H new ATOM 0 HG CYS A 61 3.887 -6.546 6.062 1.00 0.00 H new ATOM 873 N LEU A 62 4.796 -4.889 1.076 1.00 0.00 N ATOM 874 CA LEU A 62 3.862 -4.927 -0.043 1.00 0.00 C ATOM 875 C LEU A 62 4.412 -5.796 -1.170 1.00 0.00 C ATOM 876 O LEU A 62 4.959 -5.274 -2.132 1.00 0.00 O ATOM 877 CB LEU A 62 3.633 -3.525 -0.618 1.00 0.00 C ATOM 878 CG LEU A 62 2.857 -2.495 0.221 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.785 -1.859 -0.631 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.214 -3.088 1.456 1.00 0.00 C ATOM 0 H LEU A 62 5.241 -3.983 1.220 1.00 0.00 H new ATOM 0 HA LEU A 62 2.926 -5.335 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.610 -3.098 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.109 -3.639 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 62 3.584 -1.757 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.234 -1.129 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.246 -1.360 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.100 -2.628 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.684 -2.307 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.511 -3.867 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.984 -3.518 2.096 1.00 0.00 H new ATOM 892 N ARG A 63 4.260 -7.111 -1.065 1.00 0.00 N ATOM 893 CA ARG A 63 4.750 -8.011 -2.100 1.00 0.00 C ATOM 894 C ARG A 63 4.061 -7.682 -3.419 1.00 0.00 C ATOM 895 O ARG A 63 4.718 -7.546 -4.451 1.00 0.00 O ATOM 896 CB ARG A 63 4.526 -9.478 -1.715 1.00 0.00 C ATOM 897 CG ARG A 63 5.246 -10.457 -2.633 1.00 0.00 C ATOM 898 CD ARG A 63 5.003 -11.907 -2.234 1.00 0.00 C ATOM 899 NE ARG A 63 5.579 -12.243 -0.927 1.00 0.00 N ATOM 900 CZ ARG A 63 4.860 -12.639 0.126 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.537 -12.668 0.065 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.459 -13.000 1.254 1.00 0.00 N ATOM 0 H ARG A 63 3.804 -7.575 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 63 5.825 -7.869 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.865 -9.634 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.457 -9.692 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.911 -10.304 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.316 -10.251 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.930 -12.098 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.429 -12.564 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 63 6.590 -12.170 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.060 -12.386 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.996 -12.972 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.476 -12.976 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.902 -13.301 2.054 1.00 0.00 H new ATOM 916 N ARG A 64 2.742 -7.518 -3.372 1.00 0.00 N ATOM 917 CA ARG A 64 2.004 -7.010 -4.523 1.00 0.00 C ATOM 918 C ARG A 64 1.085 -5.876 -4.087 1.00 0.00 C ATOM 919 O ARG A 64 0.932 -5.648 -2.899 1.00 0.00 O ATOM 920 CB ARG A 64 1.253 -8.129 -5.270 1.00 0.00 C ATOM 921 CG ARG A 64 0.132 -8.820 -4.552 1.00 0.00 C ATOM 922 CD ARG A 64 -0.304 -10.044 -5.352 1.00 0.00 C ATOM 923 NE ARG A 64 0.548 -11.203 -5.073 1.00 0.00 N ATOM 924 CZ ARG A 64 1.338 -11.797 -5.972 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.398 -11.351 -7.218 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.071 -12.841 -5.616 1.00 0.00 N ATOM 0 H ARG A 64 2.167 -7.728 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 64 2.717 -6.608 -5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.850 -7.706 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.982 -8.886 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.454 -9.120 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.708 -8.137 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.339 -10.287 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.269 -9.814 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 64 0.537 -11.583 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.838 -10.546 -7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.005 -11.812 -7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.031 -13.189 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.675 -13.297 -6.300 1.00 0.00 H new ATOM 940 N TYR A 65 0.537 -5.130 -5.041 1.00 0.00 N ATOM 941 CA TYR A 65 -0.301 -3.966 -4.737 1.00 0.00 C ATOM 942 C TYR A 65 -0.961 -3.438 -5.993 1.00 0.00 C ATOM 943 O TYR A 65 -0.343 -3.398 -7.048 1.00 0.00 O ATOM 944 CB TYR A 65 0.516 -2.867 -4.047 1.00 0.00 C ATOM 945 CG TYR A 65 1.773 -2.459 -4.781 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.851 -3.322 -4.890 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.893 -1.202 -5.343 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.997 -2.948 -5.550 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.027 -0.825 -5.993 1.00 0.00 C ATOM 950 CZ TYR A 65 4.083 -1.695 -6.105 1.00 0.00 C ATOM 951 OH TYR A 65 5.226 -1.315 -6.778 1.00 0.00 O ATOM 0 H TYR A 65 0.657 -5.309 -6.038 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.084 -4.284 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.116 -1.988 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.789 -3.209 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.790 -4.306 -4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.071 -0.506 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.826 -3.636 -5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.097 0.163 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 65 5.736 -0.686 -6.227 1.00 0.00 H new ATOM 961 N GLY A 66 -2.225 -3.045 -5.879 1.00 0.00 N ATOM 962 CA GLY A 66 -3.015 -2.813 -7.063 1.00 0.00 C ATOM 963 C GLY A 66 -4.098 -1.780 -6.922 1.00 0.00 C ATOM 964 O GLY A 66 -4.183 -1.051 -5.934 1.00 0.00 O ATOM 0 H GLY A 66 -2.709 -2.886 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.349 -2.509 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.472 -3.755 -7.365 1.00 0.00 H new ATOM 968 N TYR A 67 -4.972 -1.821 -7.908 1.00 0.00 N ATOM 969 CA TYR A 67 -6.017 -0.834 -8.119 1.00 0.00 C ATOM 970 C TYR A 67 -7.034 -1.399 -9.107 1.00 0.00 C ATOM 971 O TYR A 67 -6.656 -1.877 -10.176 1.00 0.00 O ATOM 972 CB TYR A 67 -5.399 0.451 -8.687 1.00 0.00 C ATOM 973 CG TYR A 67 -6.289 1.201 -9.661 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.554 1.620 -9.288 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.853 1.506 -10.945 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.365 2.318 -10.153 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.659 2.203 -11.827 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.916 2.608 -11.425 1.00 0.00 C ATOM 979 OH TYR A 67 -8.719 3.318 -12.290 1.00 0.00 O ATOM 0 H TYR A 67 -4.976 -2.564 -8.607 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.510 -0.604 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.147 1.115 -7.860 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.465 0.199 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.913 1.394 -8.295 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.868 1.193 -11.259 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.348 2.637 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.307 2.429 -12.823 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.998 4.156 -11.864 1.00 0.00 H new ATOM 989 N ASP A 68 -8.309 -1.387 -8.749 1.00 0.00 N ATOM 990 CA ASP A 68 -9.347 -1.678 -9.718 1.00 0.00 C ATOM 991 C ASP A 68 -10.669 -1.018 -9.358 1.00 0.00 C ATOM 992 O ASP A 68 -11.277 -1.370 -8.363 1.00 0.00 O ATOM 993 CB ASP A 68 -9.549 -3.166 -9.880 1.00 0.00 C ATOM 994 CG ASP A 68 -10.484 -3.471 -11.055 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.728 -3.416 -10.899 1.00 0.00 O ATOM 996 OD2 ASP A 68 -9.965 -3.739 -12.164 1.00 0.00 O ATOM 0 H ASP A 68 -8.644 -1.182 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.006 -1.262 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.586 -3.651 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.965 -3.582 -8.962 1.00 0.00 H new ATOM 1001 N SER A 69 -11.096 -0.056 -10.172 1.00 0.00 N ATOM 1002 CA SER A 69 -12.388 0.607 -10.004 1.00 0.00 C ATOM 1003 C SER A 69 -12.642 0.982 -8.539 1.00 0.00 C ATOM 1004 O SER A 69 -13.607 0.523 -7.922 1.00 0.00 O ATOM 1005 CB SER A 69 -13.511 -0.294 -10.533 1.00 0.00 C ATOM 1006 OG SER A 69 -14.744 0.405 -10.623 1.00 0.00 O ATOM 0 H SER A 69 -10.557 0.287 -10.967 1.00 0.00 H new ATOM 0 HA SER A 69 -12.372 1.532 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.237 -0.678 -11.516 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.628 -1.155 -9.875 1.00 0.00 H new ATOM 0 HG SER A 69 -15.437 -0.197 -10.965 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.750 1.805 -7.994 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.828 2.254 -6.599 1.00 0.00 C ATOM 1014 C ASN A 70 -11.591 1.104 -5.617 1.00 0.00 C ATOM 1015 O ASN A 70 -12.074 1.128 -4.496 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.153 2.940 -6.288 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.426 4.122 -7.194 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.509 4.693 -7.791 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.681 4.521 -7.273 1.00 0.00 N ATOM 0 H ASN A 70 -10.951 2.182 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.030 2.986 -6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.963 2.218 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.149 3.276 -5.251 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.924 5.330 -7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.408 4.020 -6.763 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.861 0.093 -6.053 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.372 -0.956 -5.162 1.00 0.00 C ATOM 1028 C LEU A 71 -8.832 -0.895 -5.166 1.00 0.00 C ATOM 1029 O LEU A 71 -8.225 -1.172 -6.187 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.838 -2.342 -5.687 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.686 -3.236 -4.749 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.359 -4.725 -4.865 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.559 -2.822 -3.305 1.00 0.00 C ATOM 0 H LEU A 71 -10.589 -0.028 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.759 -0.813 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.413 -2.176 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.949 -2.906 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.713 -3.088 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.990 -5.291 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.541 -5.059 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.312 -4.888 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.171 -3.476 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.517 -2.897 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.898 -1.792 -3.191 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.191 -0.518 -4.061 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.722 -0.538 -3.998 1.00 0.00 C ATOM 1047 C PHE A 72 -6.286 -1.684 -3.109 1.00 0.00 C ATOM 1048 O PHE A 72 -6.883 -1.928 -2.067 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.116 0.807 -3.514 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.088 0.700 -2.423 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.475 0.699 -1.101 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.727 0.616 -2.710 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.535 0.619 -0.107 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.802 0.541 -1.719 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.199 0.544 -0.427 1.00 0.00 C ATOM 0 H PHE A 72 -8.652 -0.199 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.343 -0.684 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.662 1.309 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.927 1.445 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.523 0.761 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.402 0.610 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.843 0.615 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.752 0.479 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.462 0.487 0.360 1.00 0.00 H new ATOM 1065 N SER A 73 -5.263 -2.396 -3.518 1.00 0.00 N ATOM 1066 CA SER A 73 -4.857 -3.578 -2.795 1.00 0.00 C ATOM 1067 C SER A 73 -3.348 -3.640 -2.610 1.00 0.00 C ATOM 1068 O SER A 73 -2.609 -2.879 -3.228 1.00 0.00 O ATOM 1069 CB SER A 73 -5.339 -4.810 -3.541 1.00 0.00 C ATOM 1070 OG SER A 73 -4.947 -6.003 -2.888 1.00 0.00 O ATOM 0 H SER A 73 -4.700 -2.180 -4.341 1.00 0.00 H new ATOM 0 HA SER A 73 -5.305 -3.540 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.425 -4.782 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.939 -4.801 -4.555 1.00 0.00 H new ATOM 0 HG SER A 73 -5.090 -5.910 -1.923 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.918 -4.539 -1.737 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.518 -4.886 -1.575 1.00 0.00 C ATOM 1078 C PHE A 74 -1.402 -6.237 -0.868 1.00 0.00 C ATOM 1079 O PHE A 74 -2.256 -6.597 -0.059 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.752 -3.796 -0.829 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.390 -3.304 0.429 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.652 -4.175 1.468 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.706 -1.961 0.584 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.221 -3.729 2.631 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.268 -1.513 1.757 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.527 -2.397 2.776 1.00 0.00 C ATOM 0 H PHE A 74 -3.541 -5.053 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.063 -4.968 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.241 -4.175 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.615 -2.949 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.405 -5.221 1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.510 -1.266 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.429 -4.422 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.506 -0.466 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.973 -2.044 3.694 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.378 -7.001 -1.204 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.123 -8.261 -0.537 1.00 0.00 C ATOM 1098 C GLU A 75 0.988 -8.088 0.464 1.00 0.00 C ATOM 1099 O GLU A 75 2.156 -8.065 0.093 1.00 0.00 O ATOM 1100 CB GLU A 75 0.270 -9.356 -1.504 1.00 0.00 C ATOM 1101 CG GLU A 75 0.479 -10.704 -0.840 1.00 0.00 C ATOM 1102 CD GLU A 75 0.872 -11.774 -1.829 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -0.026 -12.428 -2.392 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.077 -11.962 -2.052 1.00 0.00 O ATOM 0 H GLU A 75 0.291 -6.768 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.051 -8.556 -0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.503 -9.451 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.188 -9.066 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.253 -10.615 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.438 -11.002 -0.331 1.00 0.00 H new ATOM 1111 N SER A 76 0.640 -7.958 1.721 1.00 0.00 N ATOM 1112 CA SER A 76 1.641 -7.797 2.744 1.00 0.00 C ATOM 1113 C SER A 76 2.188 -9.171 3.132 1.00 0.00 C ATOM 1114 O SER A 76 1.429 -10.082 3.469 1.00 0.00 O ATOM 1115 CB SER A 76 1.034 -7.055 3.934 1.00 0.00 C ATOM 1116 OG SER A 76 -0.005 -7.809 4.545 1.00 0.00 O ATOM 0 H SER A 76 -0.323 -7.961 2.058 1.00 0.00 H new ATOM 0 HA SER A 76 2.476 -7.200 2.378 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.812 -6.845 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.641 -6.094 3.602 1.00 0.00 H new ATOM 0 HG SER A 76 0.080 -8.751 4.289 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.865 -10.659 1.025 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.531 -9.776 0.078 1.00 0.00 C ATOM 1252 C ILE A 86 -4.669 -9.047 0.770 1.00 0.00 C ATOM 1253 O ILE A 86 -5.687 -9.645 1.127 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.075 -10.518 -1.157 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.908 -10.911 -2.057 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.063 -9.644 -1.906 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.100 -10.618 -3.528 1.00 0.00 C ATOM 0 HA ILE A 86 -2.781 -9.069 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.601 -11.419 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.014 -10.391 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.721 -11.978 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.438 -10.183 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.895 -9.390 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.566 -8.730 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.215 -10.934 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.971 -11.160 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.253 -9.548 -3.669 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.479 -7.765 0.974 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.487 -6.939 1.592 1.00 0.00 C ATOM 1271 C PHE A 87 -5.889 -5.858 0.614 1.00 0.00 C ATOM 1272 O PHE A 87 -5.038 -5.185 0.030 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.937 -6.333 2.883 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.973 -5.874 3.875 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.331 -6.068 3.663 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.571 -5.248 5.037 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.256 -5.641 4.597 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.490 -4.820 5.973 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.831 -5.014 5.756 1.00 0.00 C ATOM 0 H PHE A 87 -3.626 -7.268 0.718 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.364 -7.535 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.297 -7.071 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.305 -5.484 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.668 -6.557 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.518 -5.090 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.310 -5.796 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.154 -4.332 6.876 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.552 -4.679 6.487 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.177 -5.719 0.402 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.673 -4.762 -0.552 1.00 0.00 C ATOM 1291 C ALA A 88 -8.712 -3.852 0.094 1.00 0.00 C ATOM 1292 O ALA A 88 -9.573 -4.292 0.867 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.228 -5.475 -1.763 1.00 0.00 C ATOM 0 H ALA A 88 -7.899 -6.259 0.879 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.849 -4.131 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.600 -4.742 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.441 -6.068 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.044 -6.130 -1.457 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.610 -2.575 -0.212 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.515 -1.588 0.319 1.00 0.00 C ATOM 1301 C PHE A 89 -10.157 -0.878 -0.828 1.00 0.00 C ATOM 1302 O PHE A 89 -9.492 -0.504 -1.789 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.806 -0.557 1.188 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.746 -1.145 2.036 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.512 -1.341 1.498 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.978 -1.504 3.346 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.504 -1.892 2.234 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.973 -2.058 4.104 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.730 -2.257 3.544 1.00 0.00 C ATOM 0 H PHE A 89 -7.897 -2.197 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.246 -2.102 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.368 0.209 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.539 -0.061 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.327 -1.056 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.955 -1.349 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.531 -2.042 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.157 -2.335 5.131 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.936 -2.697 4.129 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.433 -0.690 -0.728 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.164 -0.015 -1.744 1.00 0.00 C ATOM 1321 C LYS A 90 -11.873 1.475 -1.635 1.00 0.00 C ATOM 1322 O LYS A 90 -12.599 2.228 -0.995 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.628 -0.314 -1.570 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.401 -0.376 -2.854 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.694 -1.138 -2.696 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.461 -0.634 -1.508 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.757 -1.347 -1.349 1.00 0.00 N ATOM 0 H LYS A 90 -11.996 -1.002 0.063 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.869 -0.352 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.733 -1.266 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.070 0.450 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.616 0.636 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.791 -0.851 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.298 -1.032 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.484 -2.201 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.862 -0.762 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.644 0.435 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.470 -0.691 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.071 -1.706 -2.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.637 -2.143 -0.691 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.772 1.872 -2.238 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.314 3.246 -2.189 1.00 0.00 C ATOM 1343 C CYS A 91 -10.748 3.953 -3.455 1.00 0.00 C ATOM 1344 O CYS A 91 -10.362 3.542 -4.538 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.789 3.309 -2.090 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.148 4.999 -2.117 1.00 0.00 S ATOM 0 H CYS A 91 -10.168 1.251 -2.777 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.744 3.726 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.470 2.820 -1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.353 2.748 -2.917 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.517 5.620 -1.036 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.533 5.010 -3.355 1.00 0.00 N ATOM 1353 CA ALA A 92 -11.980 5.680 -4.564 1.00 0.00 C ATOM 1354 C ALA A 92 -10.846 6.435 -5.241 1.00 0.00 C ATOM 1355 O ALA A 92 -10.946 6.818 -6.403 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.176 6.563 -4.312 1.00 0.00 C ATOM 0 H ALA A 92 -11.866 5.414 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.305 4.904 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.476 7.044 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.001 5.959 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.917 7.325 -3.577 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.760 6.639 -4.515 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.511 7.052 -5.133 1.00 0.00 C ATOM 1364 C ARG A 93 -7.589 5.855 -5.229 1.00 0.00 C ATOM 1365 O ARG A 93 -6.405 6.005 -5.072 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.792 8.162 -4.350 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.143 9.582 -4.769 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.629 9.778 -5.024 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.960 11.195 -5.169 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.097 11.658 -5.679 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.000 10.824 -6.185 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.320 12.963 -5.706 1.00 0.00 N ATOM 0 H ARG A 93 -9.717 6.526 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.757 7.450 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.022 8.045 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.716 8.023 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.819 10.274 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.589 9.835 -5.673 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.919 9.240 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.201 9.351 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.269 11.877 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.823 9.819 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.870 11.189 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.621 13.608 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.191 13.324 -6.096 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.143 4.661 -5.439 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.334 3.446 -5.573 1.00 0.00 C ATOM 1388 C ALA A 94 -6.230 3.659 -6.568 1.00 0.00 C ATOM 1389 O ALA A 94 -5.073 3.442 -6.281 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.167 2.294 -6.083 1.00 0.00 C ATOM 0 H ALA A 94 -9.148 4.507 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.934 3.220 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.542 1.405 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.981 2.096 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.580 2.548 -7.059 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.647 4.035 -7.759 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.734 4.391 -8.846 1.00 0.00 C ATOM 1398 C GLU A 95 -4.627 5.290 -8.343 1.00 0.00 C ATOM 1399 O GLU A 95 -3.454 4.935 -8.366 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.508 5.090 -9.968 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.745 5.840 -9.493 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.579 6.373 -10.636 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.486 5.646 -11.097 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.342 7.522 -11.067 1.00 0.00 O ATOM 0 H GLU A 95 -7.633 4.105 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.285 3.477 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.843 5.790 -10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.808 4.346 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.356 5.175 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.439 6.669 -8.854 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.044 6.438 -7.865 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.168 7.435 -7.289 1.00 0.00 C ATOM 1413 C GLU A 96 -3.303 6.849 -6.182 1.00 0.00 C ATOM 1414 O GLU A 96 -2.098 7.064 -6.150 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.055 8.531 -6.720 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.329 9.786 -6.330 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.578 10.414 -7.476 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.230 11.029 -8.343 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.336 10.310 -7.511 1.00 0.00 O ATOM 0 H GLU A 96 -6.026 6.713 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.493 7.819 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.817 8.783 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.575 8.141 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.046 10.506 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.629 9.559 -5.526 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.936 6.124 -5.276 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.278 5.540 -4.145 1.00 0.00 C ATOM 1428 C LEU A 97 -2.284 4.495 -4.587 1.00 0.00 C ATOM 1429 O LEU A 97 -1.100 4.629 -4.348 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.315 4.921 -3.227 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.907 4.910 -1.776 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.104 4.968 -0.896 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.170 3.641 -1.479 1.00 0.00 C ATOM 0 H LEU A 97 -4.936 5.928 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.735 6.318 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.251 5.470 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.509 3.898 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.275 5.778 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.789 4.959 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.661 5.883 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.741 4.105 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.873 3.630 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.818 2.788 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.282 3.580 -2.108 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.774 3.460 -5.239 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.916 2.421 -5.753 1.00 0.00 C ATOM 1447 C PHE A 98 -0.735 3.045 -6.486 1.00 0.00 C ATOM 1448 O PHE A 98 0.410 2.749 -6.178 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.690 1.487 -6.690 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.792 0.786 -7.647 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.823 -0.042 -7.157 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.865 1.008 -9.012 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.078 -0.640 -7.988 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.974 0.390 -9.864 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.008 -0.433 -9.344 1.00 0.00 C ATOM 0 H PHE A 98 -3.767 3.319 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.547 1.829 -4.916 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.235 0.751 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.431 2.063 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.769 -0.226 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.622 1.667 -9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.848 -1.277 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.043 0.548 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.718 -0.912 -10.002 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.040 3.925 -7.433 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.026 4.678 -8.174 1.00 0.00 C ATOM 1467 C ASN A 99 0.922 5.362 -7.233 1.00 0.00 C ATOM 1468 O ASN A 99 2.100 5.045 -7.238 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.679 5.723 -9.081 1.00 0.00 C ATOM 1470 CG ASN A 99 0.141 6.005 -10.328 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.371 5.935 -10.309 1.00 0.00 O ATOM 1472 ND2 ASN A 99 -0.532 6.311 -11.423 1.00 0.00 N ATOM 0 H ASN A 99 -1.998 4.139 -7.711 1.00 0.00 H new ATOM 0 HA ASN A 99 0.528 3.968 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.671 5.377 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.816 6.649 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.033 6.499 -12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.551 6.359 -11.399 1.00 0.00 H new ATOM 1479 N MET A 100 0.405 6.269 -6.416 1.00 0.00 N ATOM 1480 CA MET A 100 1.231 7.016 -5.479 1.00 0.00 C ATOM 1481 C MET A 100 2.102 6.051 -4.703 1.00 0.00 C ATOM 1482 O MET A 100 3.289 6.260 -4.555 1.00 0.00 O ATOM 1483 CB MET A 100 0.364 7.809 -4.507 1.00 0.00 C ATOM 1484 CG MET A 100 1.157 8.733 -3.601 1.00 0.00 C ATOM 1485 SD MET A 100 0.367 9.030 -2.020 1.00 0.00 S ATOM 1486 CE MET A 100 -1.311 9.216 -2.569 1.00 0.00 C ATOM 0 H MET A 100 -0.587 6.506 -6.384 1.00 0.00 H new ATOM 0 HA MET A 100 1.852 7.715 -6.040 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.356 8.399 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.208 7.114 -3.892 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.144 8.303 -3.430 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.307 9.686 -4.108 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.950 9.444 -1.716 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.369 10.028 -3.293 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.646 8.290 -3.035 1.00 0.00 H new ATOM 1496 N LEU A 101 1.489 4.984 -4.230 1.00 0.00 N ATOM 1497 CA LEU A 101 2.203 3.889 -3.615 1.00 0.00 C ATOM 1498 C LEU A 101 3.354 3.414 -4.495 1.00 0.00 C ATOM 1499 O LEU A 101 4.501 3.476 -4.065 1.00 0.00 O ATOM 1500 CB LEU A 101 1.220 2.754 -3.317 1.00 0.00 C ATOM 1501 CG LEU A 101 1.804 1.369 -3.098 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.835 1.367 -1.995 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.682 0.412 -2.777 1.00 0.00 C ATOM 0 H LEU A 101 0.478 4.854 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 101 2.645 4.231 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.651 3.025 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.512 2.695 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 101 2.312 1.054 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.230 0.359 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.648 2.045 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.373 1.696 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.090 -0.586 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.169 0.743 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.024 0.387 -3.607 1.00 0.00 H new ATOM 1515 N GLN A 102 3.064 2.970 -5.724 1.00 0.00 N ATOM 1516 CA GLN A 102 4.125 2.488 -6.604 1.00 0.00 C ATOM 1517 C GLN A 102 5.186 3.572 -6.799 1.00 0.00 C ATOM 1518 O GLN A 102 6.369 3.288 -6.718 1.00 0.00 O ATOM 1519 CB GLN A 102 3.638 2.000 -7.980 1.00 0.00 C ATOM 1520 CG GLN A 102 2.181 1.996 -8.194 1.00 0.00 C ATOM 1521 CD GLN A 102 1.839 2.144 -9.661 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.802 2.682 -10.032 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.731 1.688 -10.507 1.00 0.00 N ATOM 0 H GLN A 102 2.125 2.936 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 102 4.546 1.618 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.094 2.627 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.009 0.987 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.758 1.067 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.726 2.809 -7.629 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.583 1.246 -10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.573 1.775 -11.511 1.00 0.00 H new ATOM 1532 N GLU A 103 4.773 4.824 -7.027 1.00 0.00 N ATOM 1533 CA GLU A 103 5.749 5.896 -7.244 1.00 0.00 C ATOM 1534 C GLU A 103 6.494 6.252 -5.960 1.00 0.00 C ATOM 1535 O GLU A 103 7.674 6.559 -6.012 1.00 0.00 O ATOM 1536 CB GLU A 103 5.140 7.163 -7.867 1.00 0.00 C ATOM 1537 CG GLU A 103 3.651 7.159 -8.028 1.00 0.00 C ATOM 1538 CD GLU A 103 3.146 8.380 -8.764 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.202 8.400 -10.010 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.716 9.342 -8.098 1.00 0.00 O ATOM 0 H GLU A 103 3.796 5.115 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 103 6.459 5.493 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.418 8.018 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.592 7.317 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.349 6.262 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.182 7.111 -7.045 1.00 0.00 H new ATOM 1547 N ILE A 104 5.831 6.223 -4.809 1.00 0.00 N ATOM 1548 CA ILE A 104 6.542 6.392 -3.544 1.00 0.00 C ATOM 1549 C ILE A 104 7.575 5.279 -3.441 1.00 0.00 C ATOM 1550 O ILE A 104 8.721 5.510 -3.061 1.00 0.00 O ATOM 1551 CB ILE A 104 5.630 6.369 -2.291 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.901 7.696 -2.057 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.468 6.077 -1.075 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.630 8.505 -3.296 1.00 0.00 C ATOM 0 H ILE A 104 4.824 6.087 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 104 6.997 7.382 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 104 4.879 5.598 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.952 7.488 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.492 8.301 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.832 6.060 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.954 5.108 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.226 6.852 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.111 9.424 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.573 8.751 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.009 7.926 -3.980 1.00 0.00 H new ATOM 1566 N MET A 105 7.160 4.079 -3.833 1.00 0.00 N ATOM 1567 CA MET A 105 8.054 2.938 -3.907 1.00 0.00 C ATOM 1568 C MET A 105 9.242 3.254 -4.808 1.00 0.00 C ATOM 1569 O MET A 105 10.404 3.078 -4.427 1.00 0.00 O ATOM 1570 CB MET A 105 7.327 1.714 -4.447 1.00 0.00 C ATOM 1571 CG MET A 105 6.234 1.190 -3.537 1.00 0.00 C ATOM 1572 SD MET A 105 5.821 -0.514 -3.905 1.00 0.00 S ATOM 1573 CE MET A 105 5.104 -1.017 -2.356 1.00 0.00 C ATOM 0 H MET A 105 6.199 3.874 -4.106 1.00 0.00 H new ATOM 0 HA MET A 105 8.408 2.724 -2.898 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.891 1.962 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.054 0.920 -4.618 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.556 1.270 -2.499 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.344 1.811 -3.643 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.708 -1.810 -1.916 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.072 -0.166 -1.676 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.092 -1.383 -2.526 1.00 0.00 H new ATOM 1583 N GLN A 106 8.922 3.748 -5.997 1.00 0.00 N ATOM 1584 CA GLN A 106 9.902 4.080 -7.016 1.00 0.00 C ATOM 1585 C GLN A 106 10.856 5.179 -6.548 1.00 0.00 C ATOM 1586 O GLN A 106 12.063 5.109 -6.767 1.00 0.00 O ATOM 1587 CB GLN A 106 9.167 4.554 -8.260 1.00 0.00 C ATOM 1588 CG GLN A 106 8.260 3.508 -8.869 1.00 0.00 C ATOM 1589 CD GLN A 106 7.237 4.091 -9.819 1.00 0.00 C ATOM 1590 OE1 GLN A 106 7.461 5.138 -10.431 1.00 0.00 O ATOM 1591 NE2 GLN A 106 6.118 3.404 -9.967 1.00 0.00 N ATOM 0 H GLN A 106 7.960 3.931 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 106 10.495 3.190 -7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.574 5.433 -8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.898 4.866 -9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.866 2.776 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.744 2.974 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.975 2.542 -9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.397 3.735 -10.608 1.00 0.00 H new ATOM 1600 N ASN A 107 10.296 6.184 -5.886 1.00 0.00 N ATOM 1601 CA ASN A 107 11.014 7.418 -5.588 1.00 0.00 C ATOM 1602 C ASN A 107 11.602 7.452 -4.175 1.00 0.00 C ATOM 1603 O ASN A 107 12.333 8.382 -3.829 1.00 0.00 O ATOM 1604 CB ASN A 107 10.083 8.616 -5.781 1.00 0.00 C ATOM 1605 CG ASN A 107 9.737 8.884 -7.238 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.454 9.592 -7.941 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.629 8.326 -7.697 1.00 0.00 N ATOM 0 H ASN A 107 9.336 6.168 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 107 11.853 7.466 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.163 8.445 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.553 9.504 -5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.345 8.478 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.059 7.744 -7.083 1.00 0.00 H new ATOM 1614 N ASN A 108 11.288 6.464 -3.344 1.00 0.00 N ATOM 1615 CA ASN A 108 11.829 6.448 -1.984 1.00 0.00 C ATOM 1616 C ASN A 108 12.836 5.335 -1.784 1.00 0.00 C ATOM 1617 O ASN A 108 13.737 5.465 -0.957 1.00 0.00 O ATOM 1618 CB ASN A 108 10.736 6.347 -0.906 1.00 0.00 C ATOM 1619 CG ASN A 108 9.991 7.649 -0.726 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.375 8.478 0.090 1.00 0.00 O ATOM 1621 ND2 ASN A 108 8.938 7.843 -1.492 1.00 0.00 N ATOM 0 H ASN A 108 10.678 5.681 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 108 12.333 7.407 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.031 5.561 -1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.188 6.055 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.407 8.711 -1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.653 7.125 -2.159 1.00 0.00 H new ATOM 1628 N SER A 109 12.663 4.236 -2.519 1.00 0.00 N ATOM 1629 CA SER A 109 13.450 3.010 -2.309 1.00 0.00 C ATOM 1630 C SER A 109 13.045 2.357 -0.984 1.00 0.00 C ATOM 1631 O SER A 109 13.075 1.132 -0.845 1.00 0.00 O ATOM 1632 CB SER A 109 14.961 3.289 -2.342 1.00 0.00 C ATOM 1633 OG SER A 109 15.716 2.102 -2.135 1.00 0.00 O ATOM 0 H SER A 109 11.980 4.165 -3.273 1.00 0.00 H new ATOM 0 HA SER A 109 13.235 2.323 -3.128 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.230 3.729 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.214 4.020 -1.574 1.00 0.00 H new ATOM 0 HG SER A 109 16.672 2.314 -2.163 1.00 0.00 H new ATOM 1639 N ILE A 110 12.649 3.202 -0.031 1.00 0.00 N ATOM 1640 CA ILE A 110 12.054 2.785 1.216 1.00 0.00 C ATOM 1641 C ILE A 110 13.068 2.241 2.207 1.00 0.00 C ATOM 1642 O ILE A 110 13.621 1.153 2.048 1.00 0.00 O ATOM 1643 CB ILE A 110 10.902 1.805 1.004 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.698 2.551 0.467 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.548 1.132 2.296 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.803 3.007 -0.962 1.00 0.00 C ATOM 0 H ILE A 110 12.740 4.214 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 110 11.640 3.689 1.662 1.00 0.00 H new ATOM 0 HB ILE A 110 11.209 1.044 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.823 1.909 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.523 3.423 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.725 0.436 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.414 0.587 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.247 1.883 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.889 3.529 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.654 3.681 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.943 2.142 -1.611 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.999 -10.312 -9.453 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.259 -9.656 -9.249 1.00 0.00 C ATOM 1886 C ALA B 496 -5.947 -10.237 -8.042 1.00 0.00 C ATOM 1887 O ALA B 496 -6.173 -11.443 -7.946 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.143 -9.683 -10.473 1.00 0.00 C ATOM 0 HA ALA B 496 -5.058 -8.601 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.081 -9.172 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.638 -9.180 -11.298 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.349 -10.717 -10.750 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.180 -9.374 -7.085 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.944 -9.735 -5.903 1.00 0.00 C ATOM 1896 C VAL B 497 -8.403 -9.563 -6.215 1.00 0.00 C ATOM 1897 O VAL B 497 -8.865 -8.472 -6.509 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.533 -8.887 -4.654 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.331 -8.050 -4.974 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.665 -7.993 -4.148 1.00 0.00 C ATOM 0 H VAL B 497 -5.852 -8.408 -7.096 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.734 -10.774 -5.647 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.297 -9.591 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.053 -7.463 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.501 -8.698 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.564 -7.379 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.323 -7.428 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.963 -7.302 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.518 -8.610 -3.865 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.151 -10.626 -6.227 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.508 -10.456 -6.626 1.00 0.00 C ATOM 1912 C ILE B 498 -11.341 -10.308 -5.389 1.00 0.00 C ATOM 1913 O ILE B 498 -11.954 -11.266 -4.911 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.098 -11.549 -7.540 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.210 -11.957 -8.738 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.440 -11.057 -8.076 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.883 -11.275 -8.863 1.00 0.00 C ATOM 0 H ILE B 498 -8.862 -11.572 -5.978 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.525 -9.564 -7.253 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.189 -12.441 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.035 -13.031 -8.680 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.772 -11.775 -9.654 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.873 -11.818 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.116 -10.863 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.291 -10.138 -8.643 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.362 -11.652 -9.743 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.034 -10.200 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.285 -11.476 -7.974 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.342 -9.104 -4.845 1.00 0.00 N ATOM 1930 CA ILE B 499 -12.027 -8.887 -3.607 1.00 0.00 C ATOM 1931 C ILE B 499 -13.490 -8.598 -3.904 1.00 0.00 C ATOM 1932 O ILE B 499 -13.890 -7.457 -4.150 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.351 -7.778 -2.749 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.147 -8.338 -1.973 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.339 -7.129 -1.794 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.241 -9.814 -1.643 1.00 0.00 C ATOM 0 H ILE B 499 -10.883 -8.283 -5.240 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.968 -9.788 -2.996 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.995 -7.011 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.243 -8.167 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -10.037 -7.778 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.831 -6.360 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.151 -6.676 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.745 -7.885 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.350 -10.122 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.124 -9.994 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.317 -10.389 -2.566 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.256 -9.686 -3.929 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.688 -9.637 -4.144 1.00 0.00 C ATOM 1950 C GLY B 500 -16.118 -8.743 -5.281 1.00 0.00 C ATOM 1951 O GLY B 500 -16.123 -9.150 -6.446 1.00 0.00 O ATOM 0 H GLY B 500 -13.892 -10.630 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.049 -10.647 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.169 -9.295 -3.228 1.00 0.00 H new ATOM 1955 N MET B 501 -16.505 -7.527 -4.914 1.00 0.00 N ATOM 1956 CA MET B 501 -16.926 -6.515 -5.840 1.00 0.00 C ATOM 1957 C MET B 501 -15.949 -6.358 -6.995 1.00 0.00 C ATOM 1958 O MET B 501 -16.362 -6.249 -8.146 1.00 0.00 O ATOM 1959 CB MET B 501 -17.057 -5.191 -5.096 1.00 0.00 C ATOM 1960 CG MET B 501 -17.843 -4.171 -5.863 1.00 0.00 C ATOM 1961 SD MET B 501 -17.510 -2.480 -5.335 1.00 0.00 S ATOM 1962 CE MET B 501 -15.792 -2.310 -5.824 1.00 0.00 C ATOM 0 H MET B 501 -16.531 -7.223 -3.941 1.00 0.00 H new ATOM 0 HA MET B 501 -17.885 -6.816 -6.262 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.538 -5.366 -4.134 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.063 -4.796 -4.888 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.613 -4.266 -6.924 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.907 -4.379 -5.748 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.462 -1.286 -5.645 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.178 -2.996 -5.240 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.690 -2.544 -6.884 1.00 0.00 H new ATOM 1972 N THR B 502 -14.654 -6.364 -6.705 1.00 0.00 N ATOM 1973 CA THR B 502 -13.694 -6.033 -7.740 1.00 0.00 C ATOM 1974 C THR B 502 -12.415 -6.858 -7.708 1.00 0.00 C ATOM 1975 O THR B 502 -11.871 -7.167 -6.652 1.00 0.00 O ATOM 1976 CB THR B 502 -13.370 -4.531 -7.679 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.325 -3.774 -8.429 1.00 0.00 O ATOM 1978 CG2 THR B 502 -11.995 -4.239 -8.197 1.00 0.00 C ATOM 0 H THR B 502 -14.257 -6.587 -5.792 1.00 0.00 H new ATOM 0 HA THR B 502 -14.170 -6.286 -8.688 1.00 0.00 H new ATOM 0 HB THR B 502 -13.416 -4.239 -6.630 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.152 -4.291 -8.522 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.804 -3.168 -8.137 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.259 -4.773 -7.596 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.921 -4.564 -9.235 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.972 -7.231 -8.905 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.685 -7.839 -9.099 1.00 0.00 C ATOM 1988 C LYS B 503 -9.591 -6.798 -9.256 1.00 0.00 C ATOM 1989 O LYS B 503 -9.576 -6.050 -10.220 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.731 -8.763 -10.312 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.434 -8.825 -11.099 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.307 -10.102 -11.906 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.633 -10.545 -12.504 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.083 -9.653 -13.608 1.00 0.00 N ATOM 0 H LYS B 503 -12.508 -7.114 -9.765 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.446 -8.424 -8.211 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.989 -9.768 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.530 -8.433 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.378 -7.968 -11.770 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.591 -8.748 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.583 -9.952 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.917 -10.895 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.537 -11.564 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.393 -10.564 -11.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.990 -9.996 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -11.201 -8.685 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.372 -9.654 -14.367 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.664 -6.785 -8.315 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.607 -5.813 -8.285 1.00 0.00 C ATOM 2010 C ILE B 504 -6.354 -6.333 -8.926 1.00 0.00 C ATOM 2011 O ILE B 504 -5.626 -7.109 -8.327 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.243 -5.423 -6.862 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.476 -4.967 -6.130 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.232 -4.312 -6.895 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.163 -4.146 -4.914 1.00 0.00 C ATOM 0 H ILE B 504 -8.631 -7.457 -7.548 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.988 -4.951 -8.834 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.820 -6.284 -6.345 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.099 -4.382 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.059 -5.839 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.968 -4.030 -5.876 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.339 -4.649 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.655 -3.451 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.092 -3.846 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.565 -4.737 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.605 -3.257 -5.209 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.048 -5.852 -10.109 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.855 -6.243 -10.805 1.00 0.00 C ATOM 2029 C PRO B 505 -3.673 -5.514 -10.197 1.00 0.00 C ATOM 2030 O PRO B 505 -3.459 -4.319 -10.428 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.157 -5.812 -12.232 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.010 -4.607 -12.078 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.795 -4.821 -10.823 1.00 0.00 C ATOM 0 HA PRO B 505 -4.600 -7.301 -10.752 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.243 -5.585 -12.781 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.674 -6.597 -12.784 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.403 -3.704 -12.010 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.671 -4.483 -12.936 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.869 -3.904 -10.238 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.813 -5.144 -11.040 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.981 -6.210 -9.319 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.881 -5.616 -8.600 1.00 0.00 C ATOM 2043 C VAL B 506 -0.549 -5.839 -9.315 1.00 0.00 C ATOM 2044 O VAL B 506 -0.449 -6.612 -10.268 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.790 -6.201 -7.185 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.114 -6.087 -6.438 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.374 -7.633 -7.266 1.00 0.00 C ATOM 0 H VAL B 506 -3.163 -7.187 -9.088 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.073 -4.544 -8.550 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.049 -5.627 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.007 -6.513 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.396 -5.037 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.887 -6.629 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.309 -8.050 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.109 -8.193 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.401 -7.702 -7.751 1.00 0.00 H new ATOM 2057 N ILE B 507 0.459 -5.145 -8.821 1.00 0.00 N ATOM 2058 CA ILE B 507 1.820 -5.227 -9.324 1.00 0.00 C ATOM 2059 C ILE B 507 2.744 -5.559 -8.160 1.00 0.00 C ATOM 2060 O ILE B 507 2.314 -5.505 -7.015 1.00 0.00 O ATOM 2061 CB ILE B 507 2.241 -3.895 -9.971 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.492 -2.857 -8.911 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.131 -3.387 -10.862 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.106 -1.579 -9.428 1.00 0.00 C ATOM 0 H ILE B 507 0.354 -4.494 -8.042 1.00 0.00 H new ATOM 0 HA ILE B 507 1.882 -6.004 -10.086 1.00 0.00 H new ATOM 0 HB ILE B 507 3.149 -4.069 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.548 -2.620 -8.420 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.149 -3.281 -8.152 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.433 -2.444 -11.318 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.928 -4.119 -11.643 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.230 -3.231 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.254 -0.885 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.067 -1.799 -9.893 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.441 -1.128 -10.165 1.00 0.00 H new ATOM 2076 N GLU B 508 3.990 -5.913 -8.427 1.00 0.00 N ATOM 2077 CA GLU B 508 4.906 -6.265 -7.349 1.00 0.00 C ATOM 2078 C GLU B 508 5.863 -5.118 -7.037 1.00 0.00 C ATOM 2079 O GLU B 508 6.150 -4.275 -7.888 1.00 0.00 O ATOM 2080 CB GLU B 508 5.664 -7.550 -7.677 1.00 0.00 C ATOM 2081 CG GLU B 508 4.784 -8.784 -7.619 1.00 0.00 C ATOM 2082 CD GLU B 508 5.568 -10.070 -7.751 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.199 -10.496 -6.760 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.556 -10.672 -8.843 1.00 0.00 O ATOM 0 H GLU B 508 4.388 -5.965 -9.365 1.00 0.00 H new ATOM 0 HA GLU B 508 4.314 -6.447 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.098 -7.466 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.492 -7.667 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.239 -8.792 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU B 508 4.042 -8.733 -8.416 1.00 0.00 H new ATOM 2091 N ASN B 509 6.329 -5.089 -5.793 1.00 0.00 N ATOM 2092 CA ASN B 509 7.115 -3.966 -5.271 1.00 0.00 C ATOM 2093 C ASN B 509 8.562 -4.014 -5.745 1.00 0.00 C ATOM 2094 O ASN B 509 9.121 -5.091 -5.954 1.00 0.00 O ATOM 2095 CB ASN B 509 7.104 -3.984 -3.742 1.00 0.00 C ATOM 2096 CG ASN B 509 7.937 -5.119 -3.174 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.124 -4.962 -2.917 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.321 -6.270 -2.976 1.00 0.00 N ATOM 0 H ASN B 509 6.176 -5.837 -5.117 1.00 0.00 H new ATOM 0 HA ASN B 509 6.655 -3.052 -5.647 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.484 -3.034 -3.367 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.077 -4.078 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.835 -7.065 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.331 -6.364 -3.202 1.00 0.00 H new ATOM 2105 N PRO B 510 9.183 -2.838 -5.931 1.00 0.00 N ATOM 2106 CA PRO B 510 10.613 -2.718 -6.199 1.00 0.00 C ATOM 2107 C PRO B 510 11.455 -2.747 -4.919 1.00 0.00 C ATOM 2108 O PRO B 510 12.679 -2.783 -4.979 1.00 0.00 O ATOM 2109 CB PRO B 510 10.744 -1.341 -6.877 1.00 0.00 C ATOM 2110 CG PRO B 510 9.355 -0.795 -6.983 1.00 0.00 C ATOM 2111 CD PRO B 510 8.542 -1.520 -5.955 1.00 0.00 C ATOM 0 HA PRO B 510 10.974 -3.549 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.380 -0.677 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.202 -1.434 -7.862 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.344 0.280 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.950 -0.953 -7.982 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.583 -1.029 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.491 -1.583 -6.237 1.00 0.00 H new ATOM 2119 N GLN B 511 10.794 -2.741 -3.760 1.00 0.00 N ATOM 2120 CA GLN B 511 11.492 -2.678 -2.470 1.00 0.00 C ATOM 2121 C GLN B 511 12.354 -3.909 -2.245 1.00 0.00 C ATOM 2122 O GLN B 511 13.495 -3.806 -1.797 1.00 0.00 O ATOM 2123 CB GLN B 511 10.500 -2.525 -1.316 1.00 0.00 C ATOM 2124 CG GLN B 511 9.968 -1.113 -1.119 1.00 0.00 C ATOM 2125 CD GLN B 511 9.926 -0.308 -2.397 1.00 0.00 C ATOM 2126 OE1 GLN B 511 8.950 -0.350 -3.126 1.00 0.00 O ATOM 2127 NE2 GLN B 511 10.988 0.433 -2.671 1.00 0.00 N ATOM 0 H GLN B 511 9.777 -2.779 -3.686 1.00 0.00 H new ATOM 0 HA GLN B 511 12.140 -1.802 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.658 -3.196 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.983 -2.849 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.964 -1.166 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.593 -0.595 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.784 0.439 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.010 0.998 -3.520 1.00 0.00 H new