USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot -52:sc= 0.072 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot 130:sc= -0.922 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.729) USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= -0.534 (180deg=-1.96!) USER MOD Single : A 44 HIS : no HE2:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 52 GLN : amide:sc= -0.794 K(o=-0.79,f=-2.4!) USER MOD Single : A 53 CYS SG : rot -80:sc= -0.915 USER MOD Single : A 55 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 56 MET CE :methyl -142:sc= -2.72! (180deg=-5.43!) USER MOD Single : A 57 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 60 MET CE :methyl 179:sc= -0.0167 (180deg=-0.0228) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -7.29! K(o=-7.3!,f=-3.6) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= 0.721 (180deg=0.536) USER MOD Single : A 84 SER OG : rot 161:sc= 0.458 USER MOD Single : A 90 SER OG : rot -61:sc= 0.172 USER MOD Single : A 91 SER OG : rot 29:sc= 0.781 USER MOD Single : A 94 THR OG1 : rot 140:sc= 1.26 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.667 K(o=-0.67,f=0.093!) USER MOD Single : A 101 SER OG : rot -58:sc= 0.95 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.787) USER MOD Single : A 120 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 122 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.349 2.352 -9.122 1.00 0.00 N ATOM 202 CA VAL A 20 -2.564 2.539 -8.338 1.00 0.00 C ATOM 203 C VAL A 20 -3.779 2.717 -9.241 1.00 0.00 C ATOM 204 O VAL A 20 -3.817 3.622 -10.075 1.00 0.00 O ATOM 205 CB VAL A 20 -2.447 3.759 -7.405 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.736 3.957 -6.621 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.261 3.601 -6.466 1.00 0.00 C ATOM 0 HA VAL A 20 -2.693 1.641 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.281 4.647 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.635 4.823 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.562 4.120 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.936 3.070 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.194 4.472 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.393 2.704 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.344 3.513 -7.049 1.00 0.00 H new ATOM 217 N GLU A 21 -4.770 1.849 -9.069 1.00 0.00 N ATOM 218 CA GLU A 21 -5.987 1.911 -9.869 1.00 0.00 C ATOM 219 C GLU A 21 -6.899 3.035 -9.387 1.00 0.00 C ATOM 220 O GLU A 21 -6.940 3.347 -8.198 1.00 0.00 O ATOM 221 CB GLU A 21 -6.731 0.575 -9.810 1.00 0.00 C ATOM 222 CG GLU A 21 -5.907 -0.604 -10.300 1.00 0.00 C ATOM 223 CD GLU A 21 -6.691 -1.902 -10.305 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.666 -2.003 -11.078 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.327 -2.817 -9.537 1.00 0.00 O ATOM 0 H GLU A 21 -4.754 1.094 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.702 2.115 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.042 0.387 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.638 0.647 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.547 -0.397 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.028 -0.717 -9.665 1.00 0.00 H new ATOM 232 N GLU A 22 -7.627 3.640 -10.321 1.00 0.00 N ATOM 233 CA GLU A 22 -8.537 4.731 -9.991 1.00 0.00 C ATOM 234 C GLU A 22 -9.988 4.260 -10.033 1.00 0.00 C ATOM 235 O GLU A 22 -10.528 3.969 -11.100 1.00 0.00 O ATOM 236 CB GLU A 22 -8.340 5.899 -10.960 1.00 0.00 C ATOM 237 CG GLU A 22 -9.369 7.005 -10.797 1.00 0.00 C ATOM 238 CD GLU A 22 -9.269 7.701 -9.453 1.00 0.00 C ATOM 239 OE1 GLU A 22 -9.263 6.998 -8.421 1.00 0.00 O ATOM 240 OE2 GLU A 22 -9.198 8.947 -9.434 1.00 0.00 O ATOM 0 H GLU A 22 -7.604 3.394 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.311 5.066 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.344 6.317 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.382 5.523 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.238 7.738 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.369 6.586 -10.912 1.00 0.00 H new ATOM 247 N VAL A 23 -10.614 4.188 -8.862 1.00 0.00 N ATOM 248 CA VAL A 23 -12.002 3.753 -8.763 1.00 0.00 C ATOM 249 C VAL A 23 -12.951 4.947 -8.731 1.00 0.00 C ATOM 250 O VAL A 23 -12.893 5.775 -7.823 1.00 0.00 O ATOM 251 CB VAL A 23 -12.233 2.894 -7.506 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.638 2.310 -7.509 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.189 1.792 -7.416 1.00 0.00 C ATOM 0 H VAL A 23 -10.182 4.425 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.209 3.151 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.132 3.531 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.783 1.706 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.368 3.119 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.771 1.686 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.367 1.194 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.256 1.155 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.195 2.236 -7.364 1.00 0.00 H new ATOM 263 N GLY A 24 -13.825 5.028 -9.729 1.00 0.00 N ATOM 264 CA GLY A 24 -14.774 6.124 -9.796 1.00 0.00 C ATOM 265 C GLY A 24 -16.212 5.644 -9.828 1.00 0.00 C ATOM 266 O GLY A 24 -17.100 6.353 -10.302 1.00 0.00 O ATOM 0 H GLY A 24 -13.893 4.355 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.631 6.777 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.573 6.721 -10.686 1.00 0.00 H new ATOM 270 N SER A 25 -16.442 4.436 -9.325 1.00 0.00 N ATOM 271 CA SER A 25 -17.782 3.860 -9.303 1.00 0.00 C ATOM 272 C SER A 25 -17.835 2.645 -8.382 1.00 0.00 C ATOM 273 O SER A 25 -16.850 1.923 -8.230 1.00 0.00 O ATOM 274 CB SER A 25 -18.212 3.462 -10.716 1.00 0.00 C ATOM 275 OG SER A 25 -17.376 2.442 -11.235 1.00 0.00 O ATOM 0 H SER A 25 -15.719 3.837 -8.927 1.00 0.00 H new ATOM 0 HA SER A 25 -18.469 4.615 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.246 3.117 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.176 4.334 -11.370 1.00 0.00 H new ATOM 0 HG SER A 25 -17.672 2.204 -12.138 1.00 0.00 H new ATOM 281 N ALA A 26 -18.994 2.425 -7.769 1.00 0.00 N ATOM 282 CA ALA A 26 -19.178 1.297 -6.864 1.00 0.00 C ATOM 283 C ALA A 26 -19.014 -0.029 -7.599 1.00 0.00 C ATOM 284 O ALA A 26 -18.448 -0.981 -7.063 1.00 0.00 O ATOM 285 CB ALA A 26 -20.546 1.370 -6.202 1.00 0.00 C ATOM 0 H ALA A 26 -19.819 3.013 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.410 1.352 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.670 0.522 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.627 2.298 -5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.322 1.343 -6.967 1.00 0.00 H new ATOM 291 N GLY A 27 -19.513 -0.083 -8.830 1.00 0.00 N ATOM 292 CA GLY A 27 -19.412 -1.298 -9.618 1.00 0.00 C ATOM 293 C GLY A 27 -17.983 -1.786 -9.750 1.00 0.00 C ATOM 294 O GLY A 27 -17.704 -2.968 -9.550 1.00 0.00 O ATOM 0 H GLY A 27 -19.985 0.692 -9.296 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.018 -2.078 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.825 -1.119 -10.611 1.00 0.00 H new ATOM 298 N GLN A 28 -17.077 -0.875 -10.090 1.00 0.00 N ATOM 299 CA GLN A 28 -15.670 -1.220 -10.251 1.00 0.00 C ATOM 300 C GLN A 28 -15.113 -1.843 -8.975 1.00 0.00 C ATOM 301 O GLN A 28 -14.514 -2.919 -9.007 1.00 0.00 O ATOM 302 CB GLN A 28 -14.857 0.021 -10.623 1.00 0.00 C ATOM 303 CG GLN A 28 -13.408 -0.281 -10.967 1.00 0.00 C ATOM 304 CD GLN A 28 -12.749 0.836 -11.752 1.00 0.00 C ATOM 305 OE1 GLN A 28 -11.879 1.541 -11.240 1.00 0.00 O ATOM 306 NE2 GLN A 28 -13.160 1.003 -13.004 1.00 0.00 N ATOM 0 H GLN A 28 -17.292 0.108 -10.259 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.592 -1.951 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.329 0.512 -11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.885 0.726 -9.792 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.849 -0.453 -10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.361 -1.203 -11.546 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.884 0.396 -13.388 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.752 1.738 -13.581 1.00 0.00 H new ATOM 315 N PHE A 29 -15.313 -1.161 -7.853 1.00 0.00 N ATOM 316 CA PHE A 29 -14.830 -1.646 -6.566 1.00 0.00 C ATOM 317 C PHE A 29 -15.502 -2.965 -6.195 1.00 0.00 C ATOM 318 O PHE A 29 -14.838 -3.989 -6.039 1.00 0.00 O ATOM 319 CB PHE A 29 -15.087 -0.605 -5.474 1.00 0.00 C ATOM 320 CG PHE A 29 -14.797 -1.106 -4.088 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.581 -1.699 -3.792 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.742 -0.984 -3.081 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.311 -2.160 -2.517 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.477 -1.442 -1.805 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.260 -2.033 -1.523 1.00 0.00 C ATOM 0 H PHE A 29 -15.807 -0.270 -7.809 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.757 -1.816 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.473 0.274 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.128 -0.285 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.835 -1.802 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.696 -0.526 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.358 -2.619 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.220 -1.338 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.052 -2.395 -0.527 1.00 0.00 H new ATOM 335 N GLU A 30 -16.823 -2.930 -6.055 1.00 0.00 N ATOM 336 CA GLU A 30 -17.585 -4.123 -5.701 1.00 0.00 C ATOM 337 C GLU A 30 -17.217 -5.293 -6.609 1.00 0.00 C ATOM 338 O GLU A 30 -17.251 -6.450 -6.191 1.00 0.00 O ATOM 339 CB GLU A 30 -19.086 -3.842 -5.795 1.00 0.00 C ATOM 340 CG GLU A 30 -19.583 -2.835 -4.772 1.00 0.00 C ATOM 341 CD GLU A 30 -21.079 -2.925 -4.543 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.646 -4.017 -4.758 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.682 -1.906 -4.149 1.00 0.00 O ATOM 0 H GLU A 30 -17.388 -2.090 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.336 -4.391 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.316 -3.475 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.631 -4.777 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.064 -2.997 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.330 -1.829 -5.106 1.00 0.00 H new ATOM 350 N GLU A 31 -16.866 -4.982 -7.853 1.00 0.00 N ATOM 351 CA GLU A 31 -16.494 -6.007 -8.820 1.00 0.00 C ATOM 352 C GLU A 31 -15.088 -6.532 -8.542 1.00 0.00 C ATOM 353 O GLU A 31 -14.879 -7.738 -8.404 1.00 0.00 O ATOM 354 CB GLU A 31 -16.569 -5.450 -10.243 1.00 0.00 C ATOM 355 CG GLU A 31 -16.050 -6.409 -11.301 1.00 0.00 C ATOM 356 CD GLU A 31 -16.721 -6.213 -12.646 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.315 -5.291 -13.384 1.00 0.00 O ATOM 358 OE2 GLU A 31 -17.654 -6.982 -12.961 1.00 0.00 O ATOM 0 H GLU A 31 -16.832 -4.029 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.198 -6.833 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.604 -5.197 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.996 -4.524 -10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.974 -6.273 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.209 -7.434 -10.966 1.00 0.00 H new ATOM 365 N LEU A 32 -14.127 -5.618 -8.460 1.00 0.00 N ATOM 366 CA LEU A 32 -12.740 -5.988 -8.199 1.00 0.00 C ATOM 367 C LEU A 32 -12.635 -6.860 -6.952 1.00 0.00 C ATOM 368 O LEU A 32 -11.901 -7.849 -6.933 1.00 0.00 O ATOM 369 CB LEU A 32 -11.881 -4.734 -8.032 1.00 0.00 C ATOM 370 CG LEU A 32 -10.377 -4.918 -8.240 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.038 -4.901 -9.723 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.600 -3.838 -7.501 1.00 0.00 C ATOM 0 H LEU A 32 -14.283 -4.616 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.375 -6.560 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.235 -3.979 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.043 -4.338 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.089 -5.887 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.964 -5.033 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.566 -5.711 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.341 -3.947 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.532 -3.985 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.892 -2.858 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.819 -3.897 -6.435 1.00 0.00 H new ATOM 384 N LEU A 33 -13.374 -6.489 -5.912 1.00 0.00 N ATOM 385 CA LEU A 33 -13.366 -7.238 -4.661 1.00 0.00 C ATOM 386 C LEU A 33 -13.224 -8.734 -4.923 1.00 0.00 C ATOM 387 O LEU A 33 -12.373 -9.400 -4.333 1.00 0.00 O ATOM 388 CB LEU A 33 -14.648 -6.966 -3.872 1.00 0.00 C ATOM 389 CG LEU A 33 -14.604 -5.781 -2.907 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.933 -5.633 -2.182 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.466 -5.946 -1.911 1.00 0.00 C ATOM 0 H LEU A 33 -13.987 -5.673 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.509 -6.908 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.459 -6.801 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.898 -7.862 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.426 -4.874 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.883 -4.785 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.728 -5.467 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.142 -6.541 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.450 -5.093 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.613 -6.862 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.518 -6.001 -2.447 1.00 0.00 H new ATOM 403 N ARG A 34 -14.062 -9.256 -5.813 1.00 0.00 N ATOM 404 CA ARG A 34 -14.029 -10.673 -6.155 1.00 0.00 C ATOM 405 C ARG A 34 -12.734 -11.028 -6.880 1.00 0.00 C ATOM 406 O ARG A 34 -11.988 -11.907 -6.446 1.00 0.00 O ATOM 407 CB ARG A 34 -15.231 -11.036 -7.028 1.00 0.00 C ATOM 408 CG ARG A 34 -16.512 -11.258 -6.241 1.00 0.00 C ATOM 409 CD ARG A 34 -17.730 -11.276 -7.151 1.00 0.00 C ATOM 410 NE ARG A 34 -17.730 -12.432 -8.043 1.00 0.00 N ATOM 411 CZ ARG A 34 -18.777 -12.794 -8.777 1.00 0.00 C ATOM 412 NH1 ARG A 34 -19.901 -12.093 -8.725 1.00 0.00 N ATOM 413 NH2 ARG A 34 -18.699 -13.859 -9.564 1.00 0.00 N ATOM 0 H ARG A 34 -14.772 -8.719 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.075 -11.246 -5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.395 -10.240 -7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.000 -11.940 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.448 -12.201 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.624 -10.469 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.636 -11.286 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.754 -10.361 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.880 -12.992 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.964 -11.274 -8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.703 -12.373 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.835 -14.400 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.503 -14.137 -10.127 1.00 0.00 H new ATOM 427 N LEU A 35 -12.473 -10.339 -7.985 1.00 0.00 N ATOM 428 CA LEU A 35 -11.269 -10.581 -8.771 1.00 0.00 C ATOM 429 C LEU A 35 -10.034 -10.622 -7.877 1.00 0.00 C ATOM 430 O LEU A 35 -9.348 -11.641 -7.792 1.00 0.00 O ATOM 431 CB LEU A 35 -11.105 -9.497 -9.837 1.00 0.00 C ATOM 432 CG LEU A 35 -11.761 -9.780 -11.189 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.033 -10.902 -11.912 1.00 0.00 C ATOM 434 CD2 LEU A 35 -13.232 -10.126 -11.005 1.00 0.00 C ATOM 0 H LEU A 35 -13.079 -9.608 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.373 -11.550 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.514 -8.566 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.040 -9.334 -10.000 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.694 -8.880 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.514 -11.089 -12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.994 -10.615 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.068 -11.808 -11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.683 -10.324 -11.977 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.322 -11.011 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.746 -9.290 -10.530 1.00 0.00 H new ATOM 446 N LYS A 36 -9.757 -9.508 -7.208 1.00 0.00 N ATOM 447 CA LYS A 36 -8.607 -9.415 -6.316 1.00 0.00 C ATOM 448 C LYS A 36 -8.946 -9.963 -4.934 1.00 0.00 C ATOM 449 O LYS A 36 -8.538 -9.403 -3.917 1.00 0.00 O ATOM 450 CB LYS A 36 -8.141 -7.962 -6.201 1.00 0.00 C ATOM 451 CG LYS A 36 -8.011 -7.257 -7.539 1.00 0.00 C ATOM 452 CD LYS A 36 -6.706 -7.612 -8.233 1.00 0.00 C ATOM 453 CE LYS A 36 -6.837 -7.523 -9.746 1.00 0.00 C ATOM 454 NZ LYS A 36 -7.269 -8.817 -10.342 1.00 0.00 N ATOM 0 H LYS A 36 -10.314 -8.656 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.801 -10.016 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.845 -7.412 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.177 -7.938 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.850 -7.531 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.063 -6.179 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.918 -6.939 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.406 -8.621 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.557 -6.746 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.881 -7.226 -10.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.775 -8.637 -11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.434 -9.408 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.900 -9.311 -9.679 1.00 0.00 H new ATOM 468 N ALA A 37 -9.693 -11.062 -4.904 1.00 0.00 N ATOM 469 CA ALA A 37 -10.083 -11.687 -3.646 1.00 0.00 C ATOM 470 C ALA A 37 -8.904 -12.409 -3.003 1.00 0.00 C ATOM 471 O ALA A 37 -8.619 -12.223 -1.820 1.00 0.00 O ATOM 472 CB ALA A 37 -11.236 -12.653 -3.872 1.00 0.00 C ATOM 0 H ALA A 37 -10.040 -11.538 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.410 -10.901 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.517 -13.112 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.090 -12.112 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.929 -13.428 -4.574 1.00 0.00 H new ATOM 478 N LYS A 38 -8.221 -13.233 -3.790 1.00 0.00 N ATOM 479 CA LYS A 38 -7.071 -13.983 -3.298 1.00 0.00 C ATOM 480 C LYS A 38 -5.962 -13.042 -2.840 1.00 0.00 C ATOM 481 O LYS A 38 -5.400 -13.209 -1.758 1.00 0.00 O ATOM 482 CB LYS A 38 -6.543 -14.919 -4.388 1.00 0.00 C ATOM 483 CG LYS A 38 -7.432 -16.125 -4.638 1.00 0.00 C ATOM 484 CD LYS A 38 -6.657 -17.268 -5.271 1.00 0.00 C ATOM 485 CE LYS A 38 -5.932 -18.097 -4.222 1.00 0.00 C ATOM 486 NZ LYS A 38 -4.585 -17.543 -3.910 1.00 0.00 N ATOM 0 H LYS A 38 -8.444 -13.399 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.395 -14.576 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.437 -14.358 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.548 -15.264 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.868 -16.458 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.258 -15.840 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.340 -17.906 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.935 -16.869 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.530 -18.133 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.830 -19.123 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.934 -18.321 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.225 -17.021 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.654 -16.899 -3.096 1.00 0.00 H new ATOM 500 N SER A 39 -5.653 -12.051 -3.671 1.00 0.00 N ATOM 501 CA SER A 39 -4.609 -11.084 -3.352 1.00 0.00 C ATOM 502 C SER A 39 -5.084 -10.105 -2.282 1.00 0.00 C ATOM 503 O SER A 39 -6.206 -10.208 -1.784 1.00 0.00 O ATOM 504 CB SER A 39 -4.191 -10.319 -4.610 1.00 0.00 C ATOM 505 OG SER A 39 -5.314 -9.736 -5.249 1.00 0.00 O ATOM 0 H SER A 39 -6.111 -11.897 -4.570 1.00 0.00 H new ATOM 0 HA SER A 39 -3.749 -11.630 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.475 -9.541 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.686 -10.995 -5.300 1.00 0.00 H new ATOM 0 HG SER A 39 -5.020 -9.252 -6.049 1.00 0.00 H new ATOM 511 N LEU A 40 -4.223 -9.156 -1.934 1.00 0.00 N ATOM 512 CA LEU A 40 -4.552 -8.157 -0.923 1.00 0.00 C ATOM 513 C LEU A 40 -4.978 -6.844 -1.573 1.00 0.00 C ATOM 514 O LEU A 40 -4.183 -6.183 -2.242 1.00 0.00 O ATOM 515 CB LEU A 40 -3.353 -7.918 -0.004 1.00 0.00 C ATOM 516 CG LEU A 40 -3.473 -6.739 0.963 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.553 -7.007 2.000 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.138 -6.466 1.639 1.00 0.00 C ATOM 0 H LEU A 40 -3.291 -9.057 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.385 -8.536 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.181 -8.823 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.470 -7.765 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.757 -5.854 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.624 -6.157 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.510 -7.152 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.300 -7.904 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.242 -5.624 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.825 -7.349 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.389 -6.229 0.883 1.00 0.00 H new ATOM 530 N LEU A 41 -6.237 -6.471 -1.371 1.00 0.00 N ATOM 531 CA LEU A 41 -6.769 -5.236 -1.936 1.00 0.00 C ATOM 532 C LEU A 41 -6.676 -4.093 -0.930 1.00 0.00 C ATOM 533 O LEU A 41 -7.015 -4.254 0.242 1.00 0.00 O ATOM 534 CB LEU A 41 -8.224 -5.434 -2.366 1.00 0.00 C ATOM 535 CG LEU A 41 -8.794 -4.375 -3.310 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.405 -4.676 -4.749 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.308 -4.296 -3.170 1.00 0.00 C ATOM 0 H LEU A 41 -6.908 -7.006 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.170 -4.977 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.310 -6.407 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.845 -5.467 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.372 -3.408 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.820 -3.911 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.319 -4.681 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.797 -5.652 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.697 -3.537 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.747 -5.263 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.565 -4.031 -2.144 1.00 0.00 H new ATOM 549 N VAL A 42 -6.214 -2.937 -1.397 1.00 0.00 N ATOM 550 CA VAL A 42 -6.079 -1.766 -0.539 1.00 0.00 C ATOM 551 C VAL A 42 -6.869 -0.585 -1.093 1.00 0.00 C ATOM 552 O VAL A 42 -6.483 0.019 -2.094 1.00 0.00 O ATOM 553 CB VAL A 42 -4.604 -1.353 -0.381 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.489 -0.094 0.465 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.795 -2.490 0.227 1.00 0.00 C ATOM 0 H VAL A 42 -5.927 -2.787 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.478 -2.041 0.437 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.198 -1.136 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.439 0.182 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.034 0.719 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.911 -0.279 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.755 -2.181 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.200 -2.741 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.850 -3.364 -0.422 1.00 0.00 H new ATOM 565 N VAL A 43 -7.977 -0.261 -0.435 1.00 0.00 N ATOM 566 CA VAL A 43 -8.822 0.849 -0.861 1.00 0.00 C ATOM 567 C VAL A 43 -8.499 2.116 -0.077 1.00 0.00 C ATOM 568 O VAL A 43 -8.847 2.238 1.098 1.00 0.00 O ATOM 569 CB VAL A 43 -10.316 0.517 -0.686 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.176 1.717 -1.052 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.693 -0.695 -1.524 1.00 0.00 C ATOM 0 H VAL A 43 -8.311 -0.751 0.395 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.617 1.016 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.497 0.277 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.228 1.464 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.923 2.557 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.994 1.991 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.752 -0.916 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.498 -0.485 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.100 -1.554 -1.209 1.00 0.00 H new ATOM 581 N HIS A 44 -7.832 3.059 -0.736 1.00 0.00 N ATOM 582 CA HIS A 44 -7.463 4.319 -0.101 1.00 0.00 C ATOM 583 C HIS A 44 -8.411 5.438 -0.523 1.00 0.00 C ATOM 584 O HIS A 44 -8.767 5.555 -1.696 1.00 0.00 O ATOM 585 CB HIS A 44 -6.024 4.692 -0.458 1.00 0.00 C ATOM 586 CG HIS A 44 -5.655 6.092 -0.073 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.033 6.970 -0.936 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.826 6.765 1.088 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.835 8.122 -0.320 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.308 8.024 0.909 1.00 0.00 N ATOM 0 H HIS A 44 -7.536 2.974 -1.709 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.540 4.190 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.344 3.997 0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.881 4.570 -1.532 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.768 6.762 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.285 6.383 1.988 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.366 8.995 -0.749 1.00 0.00 H new ATOM 599 N PHE A 45 -8.816 6.259 0.441 1.00 0.00 N ATOM 600 CA PHE A 45 -9.724 7.367 0.169 1.00 0.00 C ATOM 601 C PHE A 45 -8.950 8.664 -0.048 1.00 0.00 C ATOM 602 O PHE A 45 -8.412 9.243 0.896 1.00 0.00 O ATOM 603 CB PHE A 45 -10.714 7.538 1.323 1.00 0.00 C ATOM 604 CG PHE A 45 -11.854 6.560 1.285 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.741 5.320 1.892 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.038 6.882 0.641 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.789 4.419 1.859 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.089 5.985 0.605 1.00 0.00 C ATOM 609 CZ PHE A 45 -13.963 4.751 1.214 1.00 0.00 C ATOM 0 H PHE A 45 -8.530 6.178 1.417 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.275 7.137 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.181 7.427 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.114 8.552 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.824 5.054 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.141 7.844 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.689 3.456 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.008 6.248 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.782 4.048 1.185 1.00 0.00 H new ATOM 619 N TRP A 46 -8.897 9.112 -1.296 1.00 0.00 N ATOM 620 CA TRP A 46 -8.188 10.340 -1.638 1.00 0.00 C ATOM 621 C TRP A 46 -9.168 11.466 -1.951 1.00 0.00 C ATOM 622 O TRP A 46 -10.250 11.227 -2.487 1.00 0.00 O ATOM 623 CB TRP A 46 -7.264 10.104 -2.834 1.00 0.00 C ATOM 624 CG TRP A 46 -7.997 9.982 -4.136 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.608 8.865 -4.630 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.192 11.013 -5.109 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.172 9.141 -5.852 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.932 10.451 -6.168 1.00 0.00 C ATOM 629 CE3 TRP A 46 -7.816 12.357 -5.189 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.300 11.188 -7.291 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.182 13.086 -6.304 1.00 0.00 C ATOM 632 CH2 TRP A 46 -8.918 12.501 -7.343 1.00 0.00 C ATOM 0 H TRP A 46 -9.336 8.644 -2.089 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.588 10.635 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.552 10.927 -2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.686 9.195 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.643 7.907 -4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.687 8.477 -6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.249 12.817 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.867 10.739 -8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -7.896 14.125 -6.376 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.189 13.098 -8.201 1.00 0.00 H new ATOM 643 N ALA A 47 -8.781 12.692 -1.615 1.00 0.00 N ATOM 644 CA ALA A 47 -9.626 13.854 -1.863 1.00 0.00 C ATOM 645 C ALA A 47 -8.843 14.963 -2.558 1.00 0.00 C ATOM 646 O ALA A 47 -7.689 15.240 -2.231 1.00 0.00 O ATOM 647 CB ALA A 47 -10.219 14.363 -0.558 1.00 0.00 C ATOM 0 H ALA A 47 -7.888 12.906 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.437 13.548 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.848 15.231 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.820 13.577 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.415 14.646 0.121 1.00 0.00 H new ATOM 653 N PRO A 48 -9.483 15.612 -3.542 1.00 0.00 N ATOM 654 CA PRO A 48 -8.865 16.701 -4.304 1.00 0.00 C ATOM 655 C PRO A 48 -8.672 17.960 -3.465 1.00 0.00 C ATOM 656 O PRO A 48 -8.188 18.978 -3.959 1.00 0.00 O ATOM 657 CB PRO A 48 -9.867 16.958 -5.432 1.00 0.00 C ATOM 658 CG PRO A 48 -11.175 16.493 -4.890 1.00 0.00 C ATOM 659 CD PRO A 48 -10.859 15.334 -3.985 1.00 0.00 C ATOM 0 HA PRO A 48 -7.867 16.438 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.902 18.015 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.596 16.411 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.676 17.291 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.845 16.189 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.549 15.282 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.927 14.382 -4.512 1.00 0.00 H new ATOM 667 N TRP A 49 -9.054 17.883 -2.196 1.00 0.00 N ATOM 668 CA TRP A 49 -8.923 19.017 -1.288 1.00 0.00 C ATOM 669 C TRP A 49 -7.951 18.699 -0.157 1.00 0.00 C ATOM 670 O TRP A 49 -7.026 19.465 0.112 1.00 0.00 O ATOM 671 CB TRP A 49 -10.288 19.396 -0.712 1.00 0.00 C ATOM 672 CG TRP A 49 -11.001 18.246 -0.068 1.00 0.00 C ATOM 673 CD1 TRP A 49 -11.810 17.334 -0.684 1.00 0.00 C ATOM 674 CD2 TRP A 49 -10.971 17.887 1.318 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.284 16.430 0.236 1.00 0.00 N ATOM 676 CE2 TRP A 49 -11.784 16.747 1.471 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.335 18.417 2.444 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -11.976 16.130 2.704 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.528 17.804 3.667 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.342 16.670 3.790 1.00 0.00 C ATOM 0 H TRP A 49 -9.457 17.047 -1.772 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.529 19.861 -1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.156 20.190 0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -10.911 19.800 -1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.043 17.325 -1.739 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.908 15.649 0.032 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.704 19.290 2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.603 15.256 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.043 18.206 4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.471 16.214 4.760 1.00 0.00 H new ATOM 691 N ALA A 50 -8.166 17.565 0.501 1.00 0.00 N ATOM 692 CA ALA A 50 -7.306 17.145 1.601 1.00 0.00 C ATOM 693 C ALA A 50 -5.855 17.025 1.149 1.00 0.00 C ATOM 694 O ALA A 50 -5.526 16.277 0.228 1.00 0.00 O ATOM 695 CB ALA A 50 -7.793 15.824 2.176 1.00 0.00 C ATOM 0 H ALA A 50 -8.928 16.920 0.292 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.354 17.907 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.142 15.522 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.812 15.942 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.775 15.060 1.399 1.00 0.00 H new ATOM 701 N PRO A 51 -4.964 17.779 1.810 1.00 0.00 N ATOM 702 CA PRO A 51 -3.533 17.774 1.493 1.00 0.00 C ATOM 703 C PRO A 51 -2.858 16.463 1.881 1.00 0.00 C ATOM 704 O PRO A 51 -1.931 16.010 1.209 1.00 0.00 O ATOM 705 CB PRO A 51 -2.980 18.929 2.333 1.00 0.00 C ATOM 706 CG PRO A 51 -3.936 19.064 3.468 1.00 0.00 C ATOM 707 CD PRO A 51 -5.286 18.694 2.919 1.00 0.00 C ATOM 0 HA PRO A 51 -3.352 17.881 0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.972 18.713 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.923 19.849 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.657 18.408 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.939 20.082 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.907 18.209 3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.832 19.571 2.571 1.00 0.00 H new ATOM 715 N GLN A 52 -3.328 15.859 2.967 1.00 0.00 N ATOM 716 CA GLN A 52 -2.769 14.600 3.443 1.00 0.00 C ATOM 717 C GLN A 52 -2.767 13.552 2.335 1.00 0.00 C ATOM 718 O GLN A 52 -1.766 12.869 2.115 1.00 0.00 O ATOM 719 CB GLN A 52 -3.563 14.086 4.646 1.00 0.00 C ATOM 720 CG GLN A 52 -3.050 14.605 5.979 1.00 0.00 C ATOM 721 CD GLN A 52 -3.021 16.119 6.045 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.044 16.780 5.860 1.00 0.00 O ATOM 723 NE2 GLN A 52 -1.846 16.678 6.309 1.00 0.00 N ATOM 0 H GLN A 52 -4.095 16.221 3.534 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.739 14.782 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.608 14.374 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.531 12.996 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.682 14.222 6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.046 14.218 6.153 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.024 16.092 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.765 17.693 6.365 1.00 0.00 H new ATOM 732 N CYS A 53 -3.892 13.430 1.641 1.00 0.00 N ATOM 733 CA CYS A 53 -4.021 12.464 0.556 1.00 0.00 C ATOM 734 C CYS A 53 -2.913 12.654 -0.475 1.00 0.00 C ATOM 735 O CYS A 53 -2.626 11.755 -1.265 1.00 0.00 O ATOM 736 CB CYS A 53 -5.388 12.599 -0.116 1.00 0.00 C ATOM 737 SG CYS A 53 -6.787 12.414 1.015 1.00 0.00 S ATOM 0 H CYS A 53 -4.729 13.988 1.810 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.931 11.464 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.450 13.575 -0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.470 11.850 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 53 -7.003 11.151 1.235 1.00 0.00 H new ATOM 743 N ALA A 54 -2.296 13.830 -0.463 1.00 0.00 N ATOM 744 CA ALA A 54 -1.220 14.138 -1.396 1.00 0.00 C ATOM 745 C ALA A 54 -0.053 13.170 -1.228 1.00 0.00 C ATOM 746 O ALA A 54 0.225 12.362 -2.113 1.00 0.00 O ATOM 747 CB ALA A 54 -0.749 15.573 -1.205 1.00 0.00 C ATOM 0 H ALA A 54 -2.523 14.586 0.183 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.608 14.026 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.055 15.789 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.580 16.255 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.384 15.704 -0.186 1.00 0.00 H new ATOM 753 N GLN A 55 0.624 13.259 -0.089 1.00 0.00 N ATOM 754 CA GLN A 55 1.761 12.391 0.193 1.00 0.00 C ATOM 755 C GLN A 55 1.323 10.934 0.290 1.00 0.00 C ATOM 756 O GLN A 55 2.009 10.036 -0.197 1.00 0.00 O ATOM 757 CB GLN A 55 2.446 12.818 1.493 1.00 0.00 C ATOM 758 CG GLN A 55 1.518 12.819 2.697 1.00 0.00 C ATOM 759 CD GLN A 55 2.053 13.652 3.845 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.291 14.140 4.681 1.00 0.00 O ATOM 761 NE2 GLN A 55 3.369 13.820 3.892 1.00 0.00 N ATOM 0 H GLN A 55 0.405 13.923 0.654 1.00 0.00 H new ATOM 0 HA GLN A 55 2.469 12.484 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.283 12.148 1.690 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.861 13.817 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.542 13.202 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.368 11.794 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.963 13.398 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.786 14.371 4.642 1.00 0.00 H new ATOM 770 N MET A 56 0.177 10.707 0.924 1.00 0.00 N ATOM 771 CA MET A 56 -0.353 9.358 1.084 1.00 0.00 C ATOM 772 C MET A 56 -0.456 8.651 -0.264 1.00 0.00 C ATOM 773 O MET A 56 -0.309 7.432 -0.349 1.00 0.00 O ATOM 774 CB MET A 56 -1.727 9.403 1.756 1.00 0.00 C ATOM 775 CG MET A 56 -1.666 9.714 3.242 1.00 0.00 C ATOM 776 SD MET A 56 -1.444 8.237 4.252 1.00 0.00 S ATOM 777 CE MET A 56 0.340 8.190 4.396 1.00 0.00 C ATOM 0 H MET A 56 -0.402 11.439 1.335 1.00 0.00 H new ATOM 0 HA MET A 56 0.335 8.797 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.340 10.156 1.260 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.224 8.443 1.614 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.845 10.406 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.584 10.220 3.541 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.682 7.156 4.351 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.786 8.756 3.578 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.640 8.630 5.347 1.00 0.00 H new ATOM 787 N ASN A 57 -0.711 9.424 -1.315 1.00 0.00 N ATOM 788 CA ASN A 57 -0.834 8.871 -2.659 1.00 0.00 C ATOM 789 C ASN A 57 0.533 8.489 -3.218 1.00 0.00 C ATOM 790 O ASN A 57 0.701 7.415 -3.794 1.00 0.00 O ATOM 791 CB ASN A 57 -1.515 9.878 -3.587 1.00 0.00 C ATOM 792 CG ASN A 57 -1.414 9.480 -5.047 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.357 8.294 -5.375 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.391 10.470 -5.930 1.00 0.00 N ATOM 0 H ASN A 57 -0.836 10.435 -1.262 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.446 7.971 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.565 9.970 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.062 10.860 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.324 10.263 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.441 11.438 -5.612 1.00 0.00 H new ATOM 801 N GLU A 58 1.507 9.377 -3.043 1.00 0.00 N ATOM 802 CA GLU A 58 2.859 9.134 -3.530 1.00 0.00 C ATOM 803 C GLU A 58 3.451 7.881 -2.890 1.00 0.00 C ATOM 804 O GLU A 58 4.074 7.061 -3.565 1.00 0.00 O ATOM 805 CB GLU A 58 3.755 10.340 -3.240 1.00 0.00 C ATOM 806 CG GLU A 58 3.431 11.557 -4.090 1.00 0.00 C ATOM 807 CD GLU A 58 4.169 12.800 -3.633 1.00 0.00 C ATOM 808 OE1 GLU A 58 4.015 13.181 -2.453 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.900 13.393 -4.454 1.00 0.00 O ATOM 0 H GLU A 58 1.384 10.271 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 58 2.807 8.981 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.661 10.607 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.795 10.058 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.687 11.349 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.358 11.743 -4.057 1.00 0.00 H new ATOM 816 N VAL A 59 3.251 7.741 -1.584 1.00 0.00 N ATOM 817 CA VAL A 59 3.764 6.589 -0.851 1.00 0.00 C ATOM 818 C VAL A 59 3.262 5.284 -1.459 1.00 0.00 C ATOM 819 O VAL A 59 4.030 4.342 -1.652 1.00 0.00 O ATOM 820 CB VAL A 59 3.357 6.641 0.633 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.847 5.401 1.365 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.894 7.905 1.288 1.00 0.00 C ATOM 0 H VAL A 59 2.737 8.411 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 59 4.851 6.626 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 59 2.269 6.662 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.550 5.456 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.409 4.513 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.934 5.345 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.597 7.926 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.982 7.917 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.488 8.779 0.779 1.00 0.00 H new ATOM 832 N MET A 60 1.968 5.236 -1.759 1.00 0.00 N ATOM 833 CA MET A 60 1.364 4.046 -2.347 1.00 0.00 C ATOM 834 C MET A 60 2.137 3.598 -3.583 1.00 0.00 C ATOM 835 O MET A 60 2.579 2.452 -3.668 1.00 0.00 O ATOM 836 CB MET A 60 -0.096 4.319 -2.716 1.00 0.00 C ATOM 837 CG MET A 60 -1.052 4.203 -1.540 1.00 0.00 C ATOM 838 SD MET A 60 -2.591 5.104 -1.804 1.00 0.00 S ATOM 839 CE MET A 60 -3.364 4.092 -3.063 1.00 0.00 C ATOM 0 H MET A 60 1.318 6.007 -1.605 1.00 0.00 H new ATOM 0 HA MET A 60 1.402 3.246 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.174 5.320 -3.140 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.403 3.619 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.277 3.151 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.564 4.581 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.337 4.511 -3.320 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.732 4.070 -3.951 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.494 3.078 -2.685 1.00 0.00 H new ATOM 849 N ALA A 61 2.297 4.507 -4.538 1.00 0.00 N ATOM 850 CA ALA A 61 3.019 4.205 -5.768 1.00 0.00 C ATOM 851 C ALA A 61 4.198 3.277 -5.498 1.00 0.00 C ATOM 852 O ALA A 61 4.298 2.199 -6.084 1.00 0.00 O ATOM 853 CB ALA A 61 3.497 5.490 -6.429 1.00 0.00 C ATOM 0 H ALA A 61 1.936 5.460 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 61 2.335 3.694 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.034 5.249 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.639 6.119 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.161 6.024 -5.749 1.00 0.00 H new ATOM 859 N GLU A 62 5.090 3.703 -4.608 1.00 0.00 N ATOM 860 CA GLU A 62 6.263 2.908 -4.263 1.00 0.00 C ATOM 861 C GLU A 62 5.857 1.516 -3.789 1.00 0.00 C ATOM 862 O GLU A 62 6.224 0.509 -4.397 1.00 0.00 O ATOM 863 CB GLU A 62 7.080 3.611 -3.177 1.00 0.00 C ATOM 864 CG GLU A 62 7.750 4.890 -3.651 1.00 0.00 C ATOM 865 CD GLU A 62 6.783 6.055 -3.743 1.00 0.00 C ATOM 866 OE1 GLU A 62 6.361 6.561 -2.683 1.00 0.00 O ATOM 867 OE2 GLU A 62 6.450 6.460 -4.876 1.00 0.00 O ATOM 0 H GLU A 62 5.023 4.593 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 62 6.876 2.803 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.427 3.843 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.843 2.926 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.559 5.147 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.201 4.719 -4.628 1.00 0.00 H new ATOM 874 N LEU A 63 5.099 1.466 -2.700 1.00 0.00 N ATOM 875 CA LEU A 63 4.643 0.197 -2.143 1.00 0.00 C ATOM 876 C LEU A 63 4.235 -0.769 -3.250 1.00 0.00 C ATOM 877 O LEU A 63 4.784 -1.864 -3.365 1.00 0.00 O ATOM 878 CB LEU A 63 3.466 0.429 -1.194 1.00 0.00 C ATOM 879 CG LEU A 63 3.811 1.027 0.170 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.556 1.531 0.865 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.527 0.002 1.037 1.00 0.00 C ATOM 0 H LEU A 63 4.787 2.289 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 63 5.470 -0.246 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.752 1.089 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.961 -0.524 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 63 4.481 1.873 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.821 1.953 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.084 2.299 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.862 0.703 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.765 0.446 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.882 -0.864 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.448 -0.311 0.545 1.00 0.00 H new ATOM 893 N ALA A 64 3.270 -0.354 -4.065 1.00 0.00 N ATOM 894 CA ALA A 64 2.792 -1.181 -5.166 1.00 0.00 C ATOM 895 C ALA A 64 3.951 -1.875 -5.874 1.00 0.00 C ATOM 896 O ALA A 64 3.836 -3.027 -6.293 1.00 0.00 O ATOM 897 CB ALA A 64 1.997 -0.339 -6.152 1.00 0.00 C ATOM 0 H ALA A 64 2.804 0.550 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 64 2.139 -1.950 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.646 -0.970 -6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.141 0.106 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.633 0.451 -6.551 1.00 0.00 H new ATOM 903 N LYS A 65 5.067 -1.166 -6.007 1.00 0.00 N ATOM 904 CA LYS A 65 6.248 -1.714 -6.664 1.00 0.00 C ATOM 905 C LYS A 65 6.913 -2.774 -5.793 1.00 0.00 C ATOM 906 O LYS A 65 7.246 -3.860 -6.267 1.00 0.00 O ATOM 907 CB LYS A 65 7.246 -0.596 -6.978 1.00 0.00 C ATOM 908 CG LYS A 65 6.631 0.576 -7.723 1.00 0.00 C ATOM 909 CD LYS A 65 7.648 1.259 -8.623 1.00 0.00 C ATOM 910 CE LYS A 65 8.381 2.372 -7.892 1.00 0.00 C ATOM 911 NZ LYS A 65 9.468 2.960 -8.722 1.00 0.00 N ATOM 0 H LYS A 65 5.178 -0.210 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 65 5.931 -2.182 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.680 -0.235 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.063 -1.006 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.790 0.227 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.235 1.296 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.367 0.524 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.144 1.668 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.672 3.153 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.802 1.982 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.943 3.715 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.158 2.221 -8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.063 3.356 -9.595 1.00 0.00 H new ATOM 925 N GLU A 66 7.103 -2.452 -4.517 1.00 0.00 N ATOM 926 CA GLU A 66 7.728 -3.379 -3.581 1.00 0.00 C ATOM 927 C GLU A 66 6.912 -4.662 -3.459 1.00 0.00 C ATOM 928 O GLU A 66 7.465 -5.762 -3.430 1.00 0.00 O ATOM 929 CB GLU A 66 7.879 -2.725 -2.206 1.00 0.00 C ATOM 930 CG GLU A 66 8.206 -3.709 -1.096 1.00 0.00 C ATOM 931 CD GLU A 66 9.381 -4.605 -1.438 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.227 -4.186 -2.256 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.454 -5.725 -0.890 1.00 0.00 O ATOM 0 H GLU A 66 6.833 -1.557 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 66 8.716 -3.633 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.666 -1.972 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.954 -2.204 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.428 -3.159 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.331 -4.326 -0.893 1.00 0.00 H new ATOM 940 N LEU A 67 5.594 -4.513 -3.387 1.00 0.00 N ATOM 941 CA LEU A 67 4.700 -5.660 -3.267 1.00 0.00 C ATOM 942 C LEU A 67 3.907 -5.869 -4.553 1.00 0.00 C ATOM 943 O LEU A 67 2.811 -5.335 -4.730 1.00 0.00 O ATOM 944 CB LEU A 67 3.742 -5.464 -2.090 1.00 0.00 C ATOM 945 CG LEU A 67 4.392 -5.172 -0.738 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.342 -4.757 0.281 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.167 -6.385 -0.244 1.00 0.00 C ATOM 0 H LEU A 67 5.121 -3.610 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 67 5.308 -6.547 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.066 -4.644 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.131 -6.362 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 67 5.092 -4.346 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.824 -4.553 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.832 -3.859 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.617 -5.561 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.623 -6.158 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.488 -7.231 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.946 -6.637 -0.963 1.00 0.00 H new ATOM 959 N PRO A 68 4.471 -6.665 -5.474 1.00 0.00 N ATOM 960 CA PRO A 68 3.832 -6.965 -6.759 1.00 0.00 C ATOM 961 C PRO A 68 2.603 -7.853 -6.602 1.00 0.00 C ATOM 962 O PRO A 68 1.789 -7.969 -7.518 1.00 0.00 O ATOM 963 CB PRO A 68 4.927 -7.701 -7.535 1.00 0.00 C ATOM 964 CG PRO A 68 5.801 -8.296 -6.486 1.00 0.00 C ATOM 965 CD PRO A 68 5.775 -7.334 -5.330 1.00 0.00 C ATOM 0 HA PRO A 68 3.470 -6.064 -7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.505 -8.470 -8.182 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.486 -7.018 -8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.436 -9.278 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.817 -8.434 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.858 -7.852 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.600 -6.623 -5.380 1.00 0.00 H new ATOM 973 N GLN A 69 2.474 -8.477 -5.435 1.00 0.00 N ATOM 974 CA GLN A 69 1.342 -9.354 -5.160 1.00 0.00 C ATOM 975 C GLN A 69 0.249 -8.611 -4.400 1.00 0.00 C ATOM 976 O GLN A 69 -0.621 -9.226 -3.782 1.00 0.00 O ATOM 977 CB GLN A 69 1.799 -10.574 -4.357 1.00 0.00 C ATOM 978 CG GLN A 69 2.339 -10.227 -2.979 1.00 0.00 C ATOM 979 CD GLN A 69 1.257 -10.202 -1.917 1.00 0.00 C ATOM 980 OE1 GLN A 69 0.378 -11.064 -1.890 1.00 0.00 O ATOM 981 NE2 GLN A 69 1.315 -9.211 -1.035 1.00 0.00 N ATOM 0 H GLN A 69 3.139 -8.392 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 69 0.933 -9.687 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.960 -11.261 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.571 -11.100 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.101 -10.954 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.826 -9.253 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.061 -8.518 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.613 -9.143 -0.298 1.00 0.00 H new ATOM 990 N VAL A 70 0.300 -7.283 -4.448 1.00 0.00 N ATOM 991 CA VAL A 70 -0.687 -6.455 -3.765 1.00 0.00 C ATOM 992 C VAL A 70 -1.462 -5.594 -4.755 1.00 0.00 C ATOM 993 O VAL A 70 -0.969 -5.279 -5.838 1.00 0.00 O ATOM 994 CB VAL A 70 -0.024 -5.543 -2.716 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.051 -4.609 -2.095 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.668 -6.375 -1.647 1.00 0.00 C ATOM 0 H VAL A 70 1.014 -6.758 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.376 -7.133 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 70 0.731 -4.934 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.564 -3.972 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.495 -3.988 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.831 -5.196 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.131 -5.714 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.065 -7.011 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.434 -6.997 -2.109 1.00 0.00 H new ATOM 1006 N SER A 71 -2.678 -5.215 -4.376 1.00 0.00 N ATOM 1007 CA SER A 71 -3.524 -4.391 -5.232 1.00 0.00 C ATOM 1008 C SER A 71 -3.870 -3.073 -4.548 1.00 0.00 C ATOM 1009 O SER A 71 -4.550 -3.052 -3.521 1.00 0.00 O ATOM 1010 CB SER A 71 -4.806 -5.144 -5.594 1.00 0.00 C ATOM 1011 OG SER A 71 -4.513 -6.373 -6.235 1.00 0.00 O ATOM 0 H SER A 71 -3.100 -5.465 -3.482 1.00 0.00 H new ATOM 0 HA SER A 71 -2.970 -4.171 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.389 -5.331 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.421 -4.527 -6.249 1.00 0.00 H new ATOM 0 HG SER A 71 -5.012 -7.096 -5.800 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.397 -1.972 -5.123 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.655 -0.648 -4.569 1.00 0.00 C ATOM 1019 C PHE A 72 -4.674 0.108 -5.418 1.00 0.00 C ATOM 1020 O PHE A 72 -4.387 0.500 -6.549 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.355 0.153 -4.479 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.381 -0.396 -3.476 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.586 -1.487 -3.787 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.261 0.179 -2.221 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.310 -1.994 -2.865 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.367 -0.323 -1.295 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.421 -1.411 -1.618 1.00 0.00 C ATOM 0 H PHE A 72 -2.833 -1.971 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.065 -0.775 -3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.881 0.173 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.591 1.185 -4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.667 -1.947 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.874 1.030 -1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.923 -2.846 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.284 0.134 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.122 -1.805 -0.897 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.865 0.308 -4.864 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.927 1.017 -5.568 1.00 0.00 C ATOM 1039 C VAL A 73 -7.398 2.229 -4.774 1.00 0.00 C ATOM 1040 O VAL A 73 -7.735 2.121 -3.594 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.131 0.096 -5.842 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.747 -1.010 -6.813 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.662 -0.486 -4.541 1.00 0.00 C ATOM 0 H VAL A 73 -6.119 -0.011 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.510 1.349 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.924 0.688 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.610 -1.651 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.417 -0.570 -7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.938 -1.603 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.512 -1.134 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.877 -1.065 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.978 0.323 -3.883 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.422 3.386 -5.428 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.854 4.621 -4.785 1.00 0.00 C ATOM 1055 C LYS A 74 -9.237 5.035 -5.277 1.00 0.00 C ATOM 1056 O LYS A 74 -9.493 5.072 -6.482 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.847 5.741 -5.057 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.856 6.230 -6.495 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.668 7.133 -6.784 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.855 7.902 -8.082 1.00 0.00 C ATOM 1061 NZ LYS A 74 -6.536 9.208 -7.860 1.00 0.00 N ATOM 0 H LYS A 74 -7.147 3.494 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.908 4.443 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.062 6.580 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.846 5.387 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.838 5.375 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.782 6.771 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.534 7.834 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.760 6.533 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.884 8.073 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.440 7.301 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.916 9.559 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.314 9.083 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.854 9.895 -7.481 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.124 5.348 -4.340 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.482 5.762 -4.678 1.00 0.00 C ATOM 1077 C LEU A 75 -11.757 7.179 -4.186 1.00 0.00 C ATOM 1078 O LEU A 75 -11.244 7.596 -3.149 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.498 4.792 -4.072 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.914 5.336 -3.884 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.935 4.214 -3.993 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.040 6.045 -2.544 1.00 0.00 C ATOM 0 H LEU A 75 -9.928 5.323 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.580 5.749 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.551 3.908 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.124 4.465 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.113 6.059 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.937 4.620 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.862 3.750 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.738 3.467 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.055 6.426 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.821 5.343 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.334 6.875 -2.504 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.573 7.913 -4.937 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.918 9.283 -4.576 1.00 0.00 C ATOM 1096 C GLU A 76 -14.102 9.310 -3.613 1.00 0.00 C ATOM 1097 O GLU A 76 -15.221 8.954 -3.979 1.00 0.00 O ATOM 1098 CB GLU A 76 -13.246 10.097 -5.829 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.050 10.833 -6.407 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.379 11.559 -7.697 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.639 10.877 -8.711 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -12.377 12.807 -7.694 1.00 0.00 O ATOM 0 H GLU A 76 -13.007 7.582 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.057 9.728 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.653 9.430 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.025 10.820 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.681 11.551 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.244 10.122 -6.590 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.845 9.734 -2.380 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.888 9.809 -1.365 1.00 0.00 C ATOM 1111 C ALA A 77 -16.092 10.596 -1.873 1.00 0.00 C ATOM 1112 O ALA A 77 -17.222 10.110 -1.836 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.342 10.439 -0.092 1.00 0.00 C ATOM 0 H ALA A 77 -12.923 10.031 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.218 8.794 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.132 10.489 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.518 9.835 0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.984 11.445 -0.309 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.842 11.813 -2.344 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.907 12.667 -2.857 1.00 0.00 C ATOM 1121 C GLU A 78 -17.286 12.268 -4.281 1.00 0.00 C ATOM 1122 O GLU A 78 -18.408 12.506 -4.726 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.474 14.134 -2.825 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.151 14.643 -1.430 1.00 0.00 C ATOM 1125 CD GLU A 78 -14.832 14.110 -0.906 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -13.881 13.992 -1.706 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -14.751 13.812 0.304 1.00 0.00 O ATOM 0 H GLU A 78 -14.912 12.230 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.780 12.539 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.597 14.259 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.267 14.748 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.119 15.732 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.951 14.356 -0.748 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.340 11.660 -4.991 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.593 11.238 -6.356 1.00 0.00 C ATOM 1136 C GLY A 79 -17.591 10.101 -6.436 1.00 0.00 C ATOM 1137 O GLY A 79 -18.442 10.073 -7.325 1.00 0.00 O ATOM 0 H GLY A 79 -15.403 11.452 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.965 12.085 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.655 10.927 -6.817 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.487 9.158 -5.505 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.388 8.011 -5.474 1.00 0.00 C ATOM 1143 C VAL A 80 -19.067 7.882 -4.115 1.00 0.00 C ATOM 1144 O VAL A 80 -18.656 7.096 -3.261 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.641 6.702 -5.789 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.593 5.517 -5.731 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.966 6.788 -7.149 1.00 0.00 C ATOM 0 H VAL A 80 -16.788 9.165 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.145 8.182 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.868 6.554 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.047 4.601 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -19.025 5.446 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.390 5.654 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.443 5.854 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.719 6.960 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.252 7.612 -7.149 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.131 8.672 -3.908 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.890 8.664 -2.654 1.00 0.00 C ATOM 1159 C PRO A 81 -21.686 7.376 -2.466 1.00 0.00 C ATOM 1160 O PRO A 81 -22.295 7.160 -1.419 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.835 9.859 -2.804 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.990 10.037 -4.274 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.675 9.633 -4.882 1.00 0.00 C ATOM 0 HA PRO A 81 -20.238 8.725 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.795 9.667 -2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.420 10.753 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.803 9.421 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.231 11.071 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.809 9.178 -5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.013 10.489 -5.015 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.675 6.525 -3.488 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.397 5.259 -3.434 1.00 0.00 C ATOM 1173 C GLU A 82 -21.714 4.284 -2.478 1.00 0.00 C ATOM 1174 O GLU A 82 -22.365 3.665 -1.636 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.490 4.640 -4.830 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.426 3.445 -4.904 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.032 3.264 -6.282 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -23.271 3.276 -7.272 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.268 3.109 -6.371 1.00 0.00 O ATOM 0 H GLU A 82 -21.175 6.689 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.403 5.459 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.829 5.400 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.494 4.331 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.880 2.543 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -24.225 3.568 -4.173 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.398 4.154 -2.615 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.627 3.256 -1.764 1.00 0.00 C ATOM 1188 C VAL A 83 -19.370 3.879 -0.397 1.00 0.00 C ATOM 1189 O VAL A 83 -19.530 3.226 0.634 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.277 2.891 -2.412 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.447 2.034 -1.468 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.498 2.179 -3.738 1.00 0.00 C ATOM 0 H VAL A 83 -19.844 4.659 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.220 2.350 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.726 3.811 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.497 1.786 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.260 2.585 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.989 1.116 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.534 1.929 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.068 1.265 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.050 2.832 -4.414 1.00 0.00 H new ATOM 1202 N SER A 84 -18.972 5.147 -0.396 1.00 0.00 N ATOM 1203 CA SER A 84 -18.690 5.859 0.845 1.00 0.00 C ATOM 1204 C SER A 84 -19.864 5.747 1.814 1.00 0.00 C ATOM 1205 O SER A 84 -19.674 5.643 3.025 1.00 0.00 O ATOM 1206 CB SER A 84 -18.390 7.331 0.557 1.00 0.00 C ATOM 1207 OG SER A 84 -17.397 7.462 -0.445 1.00 0.00 O ATOM 0 H SER A 84 -18.837 5.703 -1.241 1.00 0.00 H new ATOM 0 HA SER A 84 -17.815 5.402 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.302 7.836 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.056 7.823 1.471 1.00 0.00 H new ATOM 0 HG SER A 84 -17.436 8.363 -0.828 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.076 5.770 1.270 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.281 5.672 2.086 1.00 0.00 C ATOM 1215 C GLU A 85 -22.326 4.342 2.832 1.00 0.00 C ATOM 1216 O GLU A 85 -22.432 4.307 4.058 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.529 5.823 1.214 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.967 7.265 1.022 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.148 7.396 0.080 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.196 6.648 -0.919 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -26.024 8.246 0.342 1.00 0.00 O ATOM 0 H GLU A 85 -21.250 5.856 0.269 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.259 6.479 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.336 5.378 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.347 5.261 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.230 7.693 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.131 7.846 0.633 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.246 3.247 2.083 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.277 1.913 2.671 1.00 0.00 C ATOM 1230 C LYS A 86 -21.340 1.826 3.872 1.00 0.00 C ATOM 1231 O LYS A 86 -21.771 1.534 4.988 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.885 0.864 1.628 1.00 0.00 C ATOM 1233 CG LYS A 86 -22.072 -0.566 2.103 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.118 -1.517 1.399 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.518 -1.733 -0.052 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.354 -2.125 -0.895 1.00 0.00 N ATOM 0 H LYS A 86 -22.159 3.257 1.067 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.294 1.716 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.479 1.019 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.841 1.012 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.909 -0.617 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.100 -0.879 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.105 -1.117 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -21.105 -2.474 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.283 -2.507 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.961 -0.819 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.667 -2.263 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.634 -1.375 -0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.947 -3.011 -0.534 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.059 2.082 3.636 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.061 2.032 4.699 1.00 0.00 C ATOM 1252 C TYR A 87 -19.099 3.302 5.543 1.00 0.00 C ATOM 1253 O TYR A 87 -18.473 3.377 6.599 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.664 1.841 4.106 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.520 0.578 3.289 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.123 -0.615 3.881 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.779 0.576 1.924 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.989 -1.772 3.138 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.649 -0.576 1.173 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.254 -1.747 1.785 1.00 0.00 C ATOM 1261 OH TYR A 87 -17.122 -2.897 1.040 1.00 0.00 O ATOM 0 H TYR A 87 -19.686 2.326 2.719 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.295 1.184 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.425 2.699 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.934 1.825 4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.916 -0.638 4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -18.088 1.492 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.679 -2.690 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.855 -0.560 0.113 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.240 -3.292 1.201 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.840 4.298 5.068 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.961 5.566 5.778 1.00 0.00 C ATOM 1273 C GLU A 88 -18.595 6.225 5.950 1.00 0.00 C ATOM 1274 O GLU A 88 -18.276 6.747 7.019 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.610 5.349 7.147 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.075 4.952 7.069 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.601 4.405 8.382 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.036 3.406 8.876 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.577 4.973 8.913 1.00 0.00 O ATOM 0 H GLU A 88 -20.365 4.251 4.195 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.593 6.227 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.060 4.575 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.521 6.265 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.668 5.819 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.203 4.201 6.289 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.794 6.196 4.891 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.463 6.791 4.924 1.00 0.00 C ATOM 1288 C ILE A 89 -16.529 8.298 4.698 1.00 0.00 C ATOM 1289 O ILE A 89 -16.523 8.765 3.559 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.540 6.164 3.863 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.346 4.672 4.142 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.199 6.882 3.837 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.337 4.387 5.233 1.00 0.00 C ATOM 0 H ILE A 89 -18.043 5.767 4.000 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.053 6.592 5.914 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.008 6.274 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.305 4.235 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.026 4.178 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.557 6.427 3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.354 7.934 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.723 6.800 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.251 3.310 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.367 4.793 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.665 4.852 6.163 1.00 0.00 H new ATOM 1305 N SER A 90 -16.589 9.052 5.790 1.00 0.00 N ATOM 1306 CA SER A 90 -16.657 10.507 5.711 1.00 0.00 C ATOM 1307 C SER A 90 -15.413 11.143 6.324 1.00 0.00 C ATOM 1308 O SER A 90 -15.499 12.147 7.030 1.00 0.00 O ATOM 1309 CB SER A 90 -17.910 11.019 6.425 1.00 0.00 C ATOM 1310 OG SER A 90 -18.172 12.370 6.088 1.00 0.00 O ATOM 0 H SER A 90 -16.592 8.680 6.740 1.00 0.00 H new ATOM 0 HA SER A 90 -16.706 10.788 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.766 10.401 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.781 10.928 7.503 1.00 0.00 H new ATOM 0 HG SER A 90 -17.415 12.928 6.363 1.00 0.00 H new ATOM 1316 N SER A 91 -14.256 10.551 6.046 1.00 0.00 N ATOM 1317 CA SER A 91 -12.993 11.056 6.572 1.00 0.00 C ATOM 1318 C SER A 91 -11.817 10.549 5.743 1.00 0.00 C ATOM 1319 O SER A 91 -11.810 9.404 5.290 1.00 0.00 O ATOM 1320 CB SER A 91 -12.820 10.636 8.033 1.00 0.00 C ATOM 1321 OG SER A 91 -13.467 11.547 8.905 1.00 0.00 O ATOM 0 H SER A 91 -14.167 9.721 5.460 1.00 0.00 H new ATOM 0 HA SER A 91 -13.013 12.144 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.229 9.636 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.759 10.585 8.277 1.00 0.00 H new ATOM 0 HG SER A 91 -14.228 11.957 8.444 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.823 11.410 5.548 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.641 11.050 4.774 1.00 0.00 C ATOM 1329 C VAL A 92 -8.385 11.683 5.364 1.00 0.00 C ATOM 1330 O VAL A 92 -8.435 12.720 6.025 1.00 0.00 O ATOM 1331 CB VAL A 92 -9.779 11.484 3.303 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -10.690 10.528 2.548 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.300 12.911 3.216 1.00 0.00 C ATOM 0 H VAL A 92 -10.813 12.361 5.915 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.553 9.964 4.817 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.794 11.452 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.776 10.850 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.271 9.522 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.677 10.525 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.392 13.202 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.277 12.972 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.606 13.583 3.720 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.231 11.045 5.119 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.160 9.810 4.334 1.00 0.00 C ATOM 1345 C PRO A 93 -7.774 8.621 5.066 1.00 0.00 C ATOM 1346 O PRO A 93 -8.002 8.673 6.275 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.656 9.598 4.139 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.023 10.302 5.290 1.00 0.00 C ATOM 1349 CD PRO A 93 -5.906 11.482 5.591 1.00 0.00 C ATOM 0 HA PRO A 93 -7.718 9.889 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.403 8.538 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.318 10.010 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.944 9.643 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.012 10.625 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.916 11.716 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.570 12.379 5.071 1.00 0.00 H new ATOM 1357 N THR A 94 -8.041 7.550 4.326 1.00 0.00 N ATOM 1358 CA THR A 94 -8.630 6.349 4.905 1.00 0.00 C ATOM 1359 C THR A 94 -8.346 5.126 4.040 1.00 0.00 C ATOM 1360 O THR A 94 -8.672 5.103 2.853 1.00 0.00 O ATOM 1361 CB THR A 94 -10.153 6.498 5.079 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.437 7.419 6.137 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.797 5.153 5.384 1.00 0.00 C ATOM 0 H THR A 94 -7.859 7.490 3.324 1.00 0.00 H new ATOM 0 HA THR A 94 -8.172 6.213 5.884 1.00 0.00 H new ATOM 0 HB THR A 94 -10.568 6.878 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.190 7.991 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.873 5.283 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.604 4.462 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.377 4.749 6.305 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.738 4.109 4.642 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.410 2.882 3.926 1.00 0.00 C ATOM 1373 C PHE A 95 -8.268 1.720 4.418 1.00 0.00 C ATOM 1374 O PHE A 95 -8.511 1.576 5.616 1.00 0.00 O ATOM 1375 CB PHE A 95 -5.928 2.545 4.101 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.008 3.664 3.705 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.765 4.719 4.570 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.386 3.662 2.466 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.919 5.750 4.208 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.539 4.690 2.099 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.306 5.736 2.971 1.00 0.00 C ATOM 0 H PHE A 95 -7.463 4.111 5.624 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.617 3.042 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.743 2.285 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.691 1.663 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.242 4.736 5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.566 2.848 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.738 6.566 4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.059 4.676 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.645 6.541 2.685 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.726 0.894 3.483 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.558 -0.256 3.819 1.00 0.00 C ATOM 1393 C LEU A 96 -8.988 -1.536 3.215 1.00 0.00 C ATOM 1394 O LEU A 96 -8.956 -1.698 1.995 1.00 0.00 O ATOM 1395 CB LEU A 96 -10.988 -0.037 3.323 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.877 0.842 4.203 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.140 1.242 3.456 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.227 0.120 5.496 1.00 0.00 C ATOM 0 H LEU A 96 -8.535 0.999 2.487 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.568 -0.362 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.942 0.408 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.467 -1.010 3.215 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.325 1.748 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.760 1.867 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.871 1.799 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.695 0.347 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.860 0.760 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.759 -0.803 5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.312 -0.115 6.040 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.541 -2.443 4.078 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.974 -3.709 3.630 1.00 0.00 C ATOM 1412 C PHE A 97 -9.070 -4.745 3.401 1.00 0.00 C ATOM 1413 O PHE A 97 -9.700 -5.219 4.347 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.968 -4.233 4.657 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.922 -3.225 5.040 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.198 -2.241 5.974 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.662 -3.262 4.464 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.238 -1.312 6.329 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.697 -2.337 4.815 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.986 -1.360 5.748 1.00 0.00 C ATOM 0 H PHE A 97 -8.561 -2.324 5.091 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.460 -3.534 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.505 -4.546 5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.477 -5.119 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.176 -2.199 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.432 -4.022 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.467 -0.550 7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.718 -2.378 4.360 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.234 -0.635 6.023 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.293 -5.092 2.137 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.313 -6.071 1.782 1.00 0.00 C ATOM 1432 C PHE A 98 -9.676 -7.374 1.309 1.00 0.00 C ATOM 1433 O PHE A 98 -8.984 -7.407 0.291 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.228 -5.512 0.691 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.022 -4.315 1.129 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.151 -4.467 1.919 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.641 -3.038 0.751 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.883 -3.367 2.325 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.369 -1.934 1.155 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.493 -2.099 1.941 1.00 0.00 C ATOM 0 H PHE A 98 -8.781 -4.709 1.342 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.906 -6.280 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.624 -5.240 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.914 -6.295 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.462 -5.456 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.765 -2.903 0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.759 -3.499 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.059 -0.943 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.065 -1.238 2.254 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.914 -8.447 2.055 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.365 -9.754 1.714 1.00 0.00 C ATOM 1452 C LYS A 99 -10.480 -10.769 1.482 1.00 0.00 C ATOM 1453 O LYS A 99 -11.280 -11.041 2.377 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.436 -10.246 2.826 1.00 0.00 C ATOM 1455 CG LYS A 99 -6.988 -9.828 2.637 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.210 -10.858 1.835 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.715 -10.757 2.099 1.00 0.00 C ATOM 1458 NZ LYS A 99 -3.937 -11.701 1.251 1.00 0.00 N ATOM 0 H LYS A 99 -10.484 -8.437 2.901 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.794 -9.651 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.794 -9.865 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.488 -11.334 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.950 -8.865 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.517 -9.693 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.559 -11.859 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.403 -10.715 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.381 -9.737 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.517 -10.966 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.923 -11.601 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.238 -12.676 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.106 -11.486 0.248 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.525 -11.328 0.277 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.542 -12.313 -0.071 1.00 0.00 C ATOM 1474 C ASN A 100 -12.937 -11.698 -0.018 1.00 0.00 C ATOM 1475 O ASN A 100 -13.898 -12.348 0.395 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.465 -13.513 0.876 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.097 -14.758 0.285 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -13.193 -14.707 -0.271 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.405 -15.885 0.404 1.00 0.00 N ATOM 0 H ASN A 100 -9.869 -11.116 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.352 -12.650 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.421 -13.717 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.964 -13.265 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.779 -16.755 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.499 -15.880 0.873 1.00 0.00 H new ATOM 1486 N SER A 101 -13.040 -10.442 -0.438 1.00 0.00 N ATOM 1487 CA SER A 101 -14.317 -9.737 -0.435 1.00 0.00 C ATOM 1488 C SER A 101 -14.866 -9.614 0.983 1.00 0.00 C ATOM 1489 O SER A 101 -16.075 -9.693 1.199 1.00 0.00 O ATOM 1490 CB SER A 101 -15.327 -10.465 -1.325 1.00 0.00 C ATOM 1491 OG SER A 101 -16.057 -11.427 -0.585 1.00 0.00 O ATOM 0 H SER A 101 -12.255 -9.891 -0.785 1.00 0.00 H new ATOM 0 HA SER A 101 -14.152 -8.734 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.014 -9.743 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.806 -10.954 -2.148 1.00 0.00 H new ATOM 0 HG SER A 101 -15.436 -12.067 -0.178 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.969 -9.420 1.944 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.364 -9.287 3.341 1.00 0.00 C ATOM 1499 C GLN A 102 -13.351 -8.450 4.115 1.00 0.00 C ATOM 1500 O GLN A 102 -12.221 -8.880 4.348 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.503 -10.667 3.987 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.612 -11.513 3.383 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.074 -12.619 4.311 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.285 -13.172 5.078 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.359 -12.948 4.247 1.00 0.00 N ATOM 0 H GLN A 102 -12.964 -9.351 1.781 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.328 -8.780 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.557 -11.201 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.692 -10.542 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.459 -10.873 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.262 -11.951 2.448 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.978 -12.464 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.727 -13.685 4.848 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.763 -7.250 4.512 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.893 -6.352 5.261 1.00 0.00 C ATOM 1516 C LYS A 103 -12.287 -7.061 6.468 1.00 0.00 C ATOM 1517 O LYS A 103 -13.005 -7.641 7.284 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.674 -5.118 5.721 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.802 -4.044 6.347 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.627 -2.858 6.816 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.094 -3.038 8.253 1.00 0.00 C ATOM 1522 NZ LYS A 103 -13.048 -2.629 9.231 1.00 0.00 N ATOM 0 H LYS A 103 -14.694 -6.878 4.327 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.083 -6.038 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.202 -4.693 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.431 -5.426 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.255 -4.464 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.060 -3.708 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.034 -1.947 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.492 -2.734 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.996 -2.449 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.360 -4.082 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.404 -2.767 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.196 -3.208 9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.812 -1.626 9.088 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.964 -7.010 6.576 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.263 -7.646 7.684 1.00 0.00 C ATOM 1538 C ILE A 104 -9.462 -6.625 8.486 1.00 0.00 C ATOM 1539 O ILE A 104 -9.127 -6.857 9.648 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.314 -8.753 7.190 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.247 -8.164 6.263 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.099 -9.844 6.477 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.935 -8.916 6.298 1.00 0.00 C ATOM 0 H ILE A 104 -10.356 -6.535 5.909 1.00 0.00 H new ATOM 0 HA ILE A 104 -11.024 -8.092 8.324 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.815 -9.196 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.627 -8.160 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.069 -7.125 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.414 -10.620 6.133 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.824 -10.279 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.621 -9.416 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.227 -8.443 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.532 -8.898 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.099 -9.949 5.991 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.158 -5.495 7.858 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.398 -4.436 8.513 1.00 0.00 C ATOM 1557 C ASP A 105 -8.779 -3.069 7.954 1.00 0.00 C ATOM 1558 O ASP A 105 -9.406 -2.971 6.899 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.898 -4.673 8.337 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.071 -3.950 9.383 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.069 -4.396 10.549 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.428 -2.938 9.035 1.00 0.00 O ATOM 0 H ASP A 105 -9.426 -5.288 6.896 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.638 -4.453 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.693 -5.742 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.595 -4.340 7.344 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.397 -2.016 8.670 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.701 -0.654 8.247 1.00 0.00 C ATOM 1569 C ARG A 106 -7.811 0.352 8.972 1.00 0.00 C ATOM 1570 O ARG A 106 -7.629 0.272 10.188 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.173 -0.331 8.510 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.528 1.128 8.275 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.714 1.556 9.125 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.346 2.768 8.611 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.200 3.506 9.312 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.521 3.157 10.550 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.734 4.595 8.775 1.00 0.00 N ATOM 0 H ARG A 106 -7.877 -2.080 9.545 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.506 -0.581 7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.794 -0.955 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.415 -0.594 9.540 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.667 1.755 8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.760 1.282 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.447 0.750 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.383 1.726 10.150 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.119 3.064 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.112 2.320 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.177 3.725 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.489 4.867 7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.389 5.161 9.314 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.259 1.296 8.219 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.388 2.318 8.789 1.00 0.00 C ATOM 1593 C LEU A 107 -7.012 3.703 8.655 1.00 0.00 C ATOM 1594 O LEU A 107 -7.320 4.153 7.551 1.00 0.00 O ATOM 1595 CB LEU A 107 -5.022 2.293 8.101 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.831 2.727 8.956 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.525 2.484 8.216 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.961 4.192 9.347 1.00 0.00 C ATOM 0 H LEU A 107 -7.399 1.375 7.212 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.259 2.100 9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.837 1.280 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.068 2.938 7.224 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.825 2.128 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.689 2.799 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.428 1.422 7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.521 3.056 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.105 4.484 9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.994 4.807 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.878 4.336 9.919 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.195 4.375 9.786 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.780 5.711 9.796 1.00 0.00 C ATOM 1612 C ASP A 108 -6.716 6.768 10.074 1.00 0.00 C ATOM 1613 O ASP A 108 -5.891 6.612 10.973 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.890 5.798 10.845 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.962 6.803 10.472 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.610 7.966 10.183 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -11.153 6.427 10.469 1.00 0.00 O ATOM 0 H ASP A 108 -6.947 4.017 10.708 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.207 5.901 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.345 4.816 10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.457 6.074 11.806 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.741 7.846 9.294 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.773 8.912 9.472 1.00 0.00 C ATOM 1624 C GLY A 109 -4.596 8.790 8.524 1.00 0.00 C ATOM 1625 O GLY A 109 -4.275 7.697 8.059 1.00 0.00 O ATOM 0 H GLY A 109 -7.414 7.999 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.263 9.873 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.410 8.902 10.500 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.951 9.916 8.237 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.803 9.931 7.339 1.00 0.00 C ATOM 1631 C ALA A 110 -1.548 9.428 8.044 1.00 0.00 C ATOM 1632 O ALA A 110 -0.893 10.173 8.773 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.578 11.333 6.792 1.00 0.00 C ATOM 0 H ALA A 110 -4.204 10.830 8.613 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.015 9.259 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.717 11.329 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.463 11.656 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.392 12.020 7.617 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.218 8.159 7.823 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.041 7.557 8.438 1.00 0.00 C ATOM 1641 C HIS A 111 0.853 6.912 7.384 1.00 0.00 C ATOM 1642 O HIS A 111 0.464 5.942 6.735 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.459 6.515 9.476 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.148 7.101 10.669 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.512 7.917 11.581 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.427 6.986 11.098 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.370 8.278 12.519 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.539 7.726 12.249 1.00 0.00 N ATOM 0 H HIS A 111 -1.749 7.528 7.223 1.00 0.00 H new ATOM 0 HA HIS A 111 0.524 8.347 8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.122 5.790 9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.425 5.970 9.808 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.213 6.418 10.623 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.152 8.916 13.363 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.387 7.832 12.805 1.00 0.00 H new ATOM 1657 N ALA A 112 2.053 7.458 7.218 1.00 0.00 N ATOM 1658 CA ALA A 112 3.003 6.936 6.243 1.00 0.00 C ATOM 1659 C ALA A 112 3.504 5.555 6.651 1.00 0.00 C ATOM 1660 O ALA A 112 3.338 4.570 5.932 1.00 0.00 O ATOM 1661 CB ALA A 112 4.171 7.896 6.077 1.00 0.00 C ATOM 0 H ALA A 112 2.391 8.262 7.747 1.00 0.00 H new ATOM 0 HA ALA A 112 2.489 6.840 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.872 7.493 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.802 8.862 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.677 8.022 7.034 1.00 0.00 H new ATOM 1667 N PRO A 113 4.134 5.478 7.833 1.00 0.00 N ATOM 1668 CA PRO A 113 4.673 4.222 8.363 1.00 0.00 C ATOM 1669 C PRO A 113 3.574 3.248 8.775 1.00 0.00 C ATOM 1670 O PRO A 113 3.580 2.086 8.372 1.00 0.00 O ATOM 1671 CB PRO A 113 5.476 4.669 9.587 1.00 0.00 C ATOM 1672 CG PRO A 113 4.845 5.952 10.007 1.00 0.00 C ATOM 1673 CD PRO A 113 4.368 6.612 8.743 1.00 0.00 C ATOM 0 HA PRO A 113 5.264 3.687 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.430 3.926 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.529 4.808 9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.015 5.773 10.691 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.560 6.585 10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.458 7.188 8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.113 7.301 8.344 1.00 0.00 H new ATOM 1681 N GLU A 114 2.632 3.731 9.579 1.00 0.00 N ATOM 1682 CA GLU A 114 1.527 2.901 10.045 1.00 0.00 C ATOM 1683 C GLU A 114 0.904 2.125 8.888 1.00 0.00 C ATOM 1684 O GLU A 114 0.494 0.975 9.046 1.00 0.00 O ATOM 1685 CB GLU A 114 0.463 3.765 10.725 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.318 3.032 11.804 1.00 0.00 C ATOM 1687 CD GLU A 114 0.326 3.150 13.172 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.247 2.360 13.465 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -0.093 4.033 13.949 1.00 0.00 O ATOM 0 H GLU A 114 2.612 4.692 9.921 1.00 0.00 H new ATOM 0 HA GLU A 114 1.922 2.187 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.944 4.638 11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.233 4.131 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.332 3.431 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.401 1.979 11.535 1.00 0.00 H new ATOM 1696 N LEU A 115 0.837 2.763 7.724 1.00 0.00 N ATOM 1697 CA LEU A 115 0.263 2.134 6.539 1.00 0.00 C ATOM 1698 C LEU A 115 1.116 0.955 6.082 1.00 0.00 C ATOM 1699 O LEU A 115 0.653 -0.186 6.051 1.00 0.00 O ATOM 1700 CB LEU A 115 0.136 3.154 5.407 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.492 2.643 4.110 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.001 2.529 4.256 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.134 3.557 2.948 1.00 0.00 C ATOM 0 H LEU A 115 1.173 3.715 7.576 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.729 1.763 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.457 3.995 5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.130 3.539 5.179 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.092 1.651 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.430 2.164 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.237 1.833 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.419 3.508 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.589 3.178 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.505 4.562 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.949 3.587 2.829 1.00 0.00 H new ATOM 1715 N THR A 116 2.367 1.237 5.731 1.00 0.00 N ATOM 1716 CA THR A 116 3.286 0.200 5.276 1.00 0.00 C ATOM 1717 C THR A 116 3.201 -1.037 6.163 1.00 0.00 C ATOM 1718 O THR A 116 3.066 -2.158 5.672 1.00 0.00 O ATOM 1719 CB THR A 116 4.740 0.707 5.259 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.841 1.881 4.445 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.680 -0.366 4.730 1.00 0.00 C ATOM 0 H THR A 116 2.767 2.175 5.753 1.00 0.00 H new ATOM 0 HA THR A 116 2.989 -0.063 4.261 1.00 0.00 H new ATOM 0 HB THR A 116 5.029 0.950 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.768 2.198 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.701 0.014 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.623 -1.247 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.390 -0.635 3.714 1.00 0.00 H new ATOM 1729 N LYS A 117 3.280 -0.827 7.473 1.00 0.00 N ATOM 1730 CA LYS A 117 3.210 -1.924 8.430 1.00 0.00 C ATOM 1731 C LYS A 117 2.044 -2.854 8.108 1.00 0.00 C ATOM 1732 O LYS A 117 2.238 -4.037 7.828 1.00 0.00 O ATOM 1733 CB LYS A 117 3.064 -1.379 9.853 1.00 0.00 C ATOM 1734 CG LYS A 117 4.260 -0.569 10.319 1.00 0.00 C ATOM 1735 CD LYS A 117 4.405 -0.608 11.831 1.00 0.00 C ATOM 1736 CE LYS A 117 5.545 0.281 12.305 1.00 0.00 C ATOM 1737 NZ LYS A 117 5.671 0.277 13.789 1.00 0.00 N ATOM 0 H LYS A 117 3.393 0.094 7.896 1.00 0.00 H new ATOM 0 HA LYS A 117 4.136 -2.494 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.171 -0.756 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.911 -2.213 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.167 -0.958 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.151 0.464 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.473 -0.285 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.583 -1.634 12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.480 -0.059 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.379 1.301 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.459 0.894 14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.788 0.626 14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.855 -0.692 14.119 1.00 0.00 H new ATOM 1751 N LYS A 118 0.832 -2.311 8.148 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.366 -3.089 7.858 1.00 0.00 C ATOM 1753 C LYS A 118 -0.275 -3.733 6.478 1.00 0.00 C ATOM 1754 O LYS A 118 -0.539 -4.925 6.319 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.609 -2.200 7.937 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.094 -1.957 9.356 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.856 -0.648 9.468 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.369 -0.421 10.882 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.260 -0.160 11.840 1.00 0.00 N ATOM 0 H LYS A 118 0.654 -1.334 8.379 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.445 -3.879 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.390 -1.241 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.412 -2.661 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.736 -2.781 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.242 -1.942 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.207 0.178 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.695 -0.653 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.059 0.423 10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.932 -1.295 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.275 -0.877 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.350 -0.204 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.378 0.784 12.259 1.00 0.00 H new ATOM 1773 N VAL A 119 0.100 -2.937 5.482 1.00 0.00 N ATOM 1774 CA VAL A 119 0.228 -3.430 4.116 1.00 0.00 C ATOM 1775 C VAL A 119 1.084 -4.691 4.064 1.00 0.00 C ATOM 1776 O VAL A 119 0.634 -5.738 3.600 1.00 0.00 O ATOM 1777 CB VAL A 119 0.846 -2.365 3.190 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.000 -2.909 1.778 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.001 -1.100 3.194 1.00 0.00 C ATOM 0 H VAL A 119 0.321 -1.948 5.596 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.779 -3.663 3.769 1.00 0.00 H new ATOM 0 HB VAL A 119 1.837 -2.113 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.438 -2.143 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.650 -3.784 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.022 -3.191 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.453 -0.359 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.004 -1.333 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.051 -0.701 4.207 1.00 0.00 H new ATOM 1789 N GLN A 120 2.318 -4.582 4.545 1.00 0.00 N ATOM 1790 CA GLN A 120 3.237 -5.714 4.553 1.00 0.00 C ATOM 1791 C GLN A 120 2.663 -6.874 5.359 1.00 0.00 C ATOM 1792 O GLN A 120 2.603 -8.006 4.879 1.00 0.00 O ATOM 1793 CB GLN A 120 4.590 -5.295 5.131 1.00 0.00 C ATOM 1794 CG GLN A 120 5.235 -4.135 4.390 1.00 0.00 C ATOM 1795 CD GLN A 120 6.633 -3.828 4.891 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.136 -4.485 5.802 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.268 -2.825 4.296 1.00 0.00 N ATOM 0 H GLN A 120 2.704 -3.722 4.934 1.00 0.00 H new ATOM 0 HA GLN A 120 3.377 -6.045 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.459 -5.019 6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.266 -6.150 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.277 -4.367 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.611 -3.248 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.812 -2.307 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.211 -2.572 4.590 1.00 0.00 H new ATOM 1806 N ARG A 121 2.243 -6.585 6.587 1.00 0.00 N ATOM 1807 CA ARG A 121 1.676 -7.605 7.460 1.00 0.00 C ATOM 1808 C ARG A 121 0.743 -8.529 6.683 1.00 0.00 C ATOM 1809 O ARG A 121 0.986 -9.733 6.583 1.00 0.00 O ATOM 1810 CB ARG A 121 0.916 -6.952 8.616 1.00 0.00 C ATOM 1811 CG ARG A 121 0.260 -7.951 9.555 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.982 -7.366 10.210 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.246 -7.966 11.516 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.552 -7.677 12.611 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.442 -6.801 12.558 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.852 -8.264 13.762 1.00 0.00 N ATOM 0 H ARG A 121 2.285 -5.653 6.999 1.00 0.00 H new ATOM 0 HA ARG A 121 2.496 -8.199 7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.605 -6.328 9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.150 -6.292 8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.009 -8.851 9.001 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.972 -8.251 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.859 -6.289 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.842 -7.521 9.559 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.005 -8.644 11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.675 -6.347 11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.973 -6.581 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.616 -8.938 13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.318 -8.041 14.602 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.324 -7.959 6.133 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.293 -8.731 5.364 1.00 0.00 C ATOM 1832 C HIS A 122 -0.680 -9.227 4.058 1.00 0.00 C ATOM 1833 O HIS A 122 -0.709 -10.421 3.761 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.533 -7.886 5.071 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.071 -7.174 6.273 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.652 -7.828 7.338 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.112 -5.855 6.576 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.029 -6.943 8.244 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.712 -5.738 7.806 1.00 0.00 N ATOM 0 H HIS A 122 -0.540 -6.965 6.206 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.585 -9.596 5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.289 -7.152 4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.312 -8.529 4.661 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.772 -8.838 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.742 -5.046 5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.514 -7.167 9.183 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.125 -8.302 3.282 1.00 0.00 N ATOM 1849 CA ALA A 123 0.496 -8.645 2.009 1.00 0.00 C ATOM 1850 C ALA A 123 1.176 -10.008 2.080 1.00 0.00 C ATOM 1851 O ALA A 123 1.182 -10.761 1.106 1.00 0.00 O ATOM 1852 CB ALA A 123 1.497 -7.573 1.604 1.00 0.00 C ATOM 0 H ALA A 123 -0.093 -7.309 3.513 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.287 -8.698 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.953 -7.842 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.985 -6.616 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.271 -7.491 2.367 1.00 0.00 H new