USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 54 SER OG : rot 170:sc= 0.172 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.76 X(o=-1.6,f=-2.1) USER MOD Set 2.1: A 41 SER OG : rot 132:sc= 0.765 USER MOD Set 2.2: A 45 LYS NZ :NH3+ 179:sc= 0.469 (180deg=0.463) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.992 K(o=-1.4,f=-3) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.37 K(o=-1.4,f=-4.2!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.8! C(o=-4.8!,f=-8.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.044) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0148 (180deg=-0.176) USER MOD Single : A 44 MET CE :methyl -129:sc= -0.437 (180deg=-2.08) USER MOD Single : A 47 TYR OH : rot 18:sc= 1.12 USER MOD Single : A 48 CYS SG : rot 140:sc= -3.77! USER MOD Single : A 51 GLN : amide:sc= -2.91 K(o=-2.9,f=-4.8!) USER MOD Single : A 55 MET CE :methyl 140:sc= -3.19 (180deg=-5.88!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 68 ASN : amide:sc= -4.64! C(o=-4.6!,f=-2!) USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.731 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 161:sc= -0.797 (180deg=-2.16) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -3.093 12.714 8.095 1.00 0.00 N ATOM 243 CA HIS A 17 -2.948 11.297 7.837 1.00 0.00 C ATOM 244 C HIS A 17 -4.232 10.757 7.271 1.00 0.00 C ATOM 245 O HIS A 17 -5.310 11.173 7.670 1.00 0.00 O ATOM 246 CB HIS A 17 -2.547 10.525 9.126 1.00 0.00 C ATOM 247 CG HIS A 17 -3.708 10.007 9.956 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.450 10.804 10.797 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.247 8.762 10.056 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.387 10.079 11.383 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.285 8.840 10.949 1.00 0.00 N ATOM 0 HA HIS A 17 -2.147 11.155 7.111 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.918 9.681 8.844 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.940 11.181 9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.919 7.877 9.530 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.113 10.441 12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.882 8.063 11.232 1.00 0.00 H new ATOM 260 N ILE A 18 -4.141 9.854 6.341 1.00 0.00 N ATOM 261 CA ILE A 18 -5.324 9.261 5.785 1.00 0.00 C ATOM 262 C ILE A 18 -5.195 7.756 5.767 1.00 0.00 C ATOM 263 O ILE A 18 -4.088 7.203 5.865 1.00 0.00 O ATOM 264 CB ILE A 18 -5.653 9.780 4.366 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.567 9.417 3.377 1.00 0.00 C ATOM 266 CG2 ILE A 18 -5.880 11.282 4.373 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.974 9.683 1.955 1.00 0.00 C ATOM 0 H ILE A 18 -3.263 9.511 5.951 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.152 9.555 6.430 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.575 9.292 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.666 9.986 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.316 8.362 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.109 11.620 3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.713 11.521 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.980 11.784 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.160 9.406 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.859 9.094 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.199 10.743 1.833 1.00 0.00 H new ATOM 279 N ASN A 19 -6.312 7.087 5.667 1.00 0.00 N ATOM 280 CA ASN A 19 -6.330 5.644 5.664 1.00 0.00 C ATOM 281 C ASN A 19 -6.425 5.128 4.241 1.00 0.00 C ATOM 282 O ASN A 19 -7.357 5.449 3.520 1.00 0.00 O ATOM 283 CB ASN A 19 -7.519 5.112 6.485 1.00 0.00 C ATOM 284 CG ASN A 19 -7.956 6.056 7.591 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.385 6.084 8.673 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.997 6.807 7.337 1.00 0.00 N ATOM 0 H ASN A 19 -7.231 7.521 5.586 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.404 5.290 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.361 4.932 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.248 4.151 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.356 7.440 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.450 6.759 6.424 1.00 0.00 H new ATOM 293 N LEU A 20 -5.457 4.349 3.826 1.00 0.00 N ATOM 294 CA LEU A 20 -5.473 3.760 2.499 1.00 0.00 C ATOM 295 C LEU A 20 -5.629 2.266 2.623 1.00 0.00 C ATOM 296 O LEU A 20 -4.860 1.606 3.319 1.00 0.00 O ATOM 297 CB LEU A 20 -4.186 4.070 1.712 1.00 0.00 C ATOM 298 CG LEU A 20 -3.934 5.534 1.332 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.196 6.186 0.790 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.368 6.311 2.503 1.00 0.00 C ATOM 0 H LEU A 20 -4.641 4.104 4.387 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.311 4.193 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.337 3.723 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.200 3.480 0.795 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.190 5.550 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.986 7.223 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.530 5.649 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.977 6.154 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.199 7.346 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.073 6.283 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.424 5.864 2.814 1.00 0.00 H new ATOM 312 N LYS A 21 -6.618 1.721 1.974 1.00 0.00 N ATOM 313 CA LYS A 21 -6.835 0.302 2.015 1.00 0.00 C ATOM 314 C LYS A 21 -6.385 -0.341 0.727 1.00 0.00 C ATOM 315 O LYS A 21 -6.599 0.187 -0.352 1.00 0.00 O ATOM 316 CB LYS A 21 -8.296 -0.023 2.307 1.00 0.00 C ATOM 317 CG LYS A 21 -8.646 -1.492 2.105 1.00 0.00 C ATOM 318 CD LYS A 21 -9.943 -1.859 2.787 1.00 0.00 C ATOM 319 CE LYS A 21 -11.099 -0.997 2.297 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.416 -1.549 2.692 1.00 0.00 N ATOM 0 H LYS A 21 -7.290 2.240 1.408 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.236 -0.108 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.524 0.258 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.931 0.585 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.724 -1.704 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.841 -2.114 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.168 -2.909 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.833 -1.742 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.994 0.011 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.053 -0.914 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.172 -0.930 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.529 -2.500 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.472 -1.605 3.729 1.00 0.00 H new ATOM 334 N VAL A 22 -5.783 -1.487 0.841 1.00 0.00 N ATOM 335 CA VAL A 22 -5.277 -2.193 -0.298 1.00 0.00 C ATOM 336 C VAL A 22 -6.088 -3.448 -0.510 1.00 0.00 C ATOM 337 O VAL A 22 -6.215 -4.278 0.390 1.00 0.00 O ATOM 338 CB VAL A 22 -3.788 -2.555 -0.127 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.263 -3.231 -1.371 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.970 -1.313 0.189 1.00 0.00 C ATOM 0 H VAL A 22 -5.628 -1.961 1.731 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.362 -1.542 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.696 -3.249 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.211 -3.480 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.830 -4.143 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.369 -2.559 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.922 -1.588 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.068 -0.596 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.333 -0.864 1.113 1.00 0.00 H new ATOM 350 N ALA A 23 -6.637 -3.592 -1.689 1.00 0.00 N ATOM 351 CA ALA A 23 -7.487 -4.713 -1.992 1.00 0.00 C ATOM 352 C ALA A 23 -6.960 -5.485 -3.161 1.00 0.00 C ATOM 353 O ALA A 23 -6.783 -4.952 -4.260 1.00 0.00 O ATOM 354 CB ALA A 23 -8.910 -4.257 -2.255 1.00 0.00 C ATOM 0 H ALA A 23 -6.508 -2.939 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.493 -5.371 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.533 -5.122 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.299 -3.751 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.921 -3.570 -3.101 1.00 0.00 H new ATOM 360 N GLY A 24 -6.714 -6.744 -2.943 1.00 0.00 N ATOM 361 CA GLY A 24 -6.208 -7.568 -3.994 1.00 0.00 C ATOM 362 C GLY A 24 -7.281 -8.431 -4.568 1.00 0.00 C ATOM 363 O GLY A 24 -8.108 -8.969 -3.835 1.00 0.00 O ATOM 0 H GLY A 24 -6.856 -7.218 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.783 -6.941 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.400 -8.193 -3.613 1.00 0.00 H new ATOM 367 N GLN A 25 -7.283 -8.581 -5.883 1.00 0.00 N ATOM 368 CA GLN A 25 -8.268 -9.424 -6.561 1.00 0.00 C ATOM 369 C GLN A 25 -8.184 -10.876 -6.083 1.00 0.00 C ATOM 370 O GLN A 25 -9.107 -11.662 -6.264 1.00 0.00 O ATOM 371 CB GLN A 25 -8.108 -9.342 -8.099 1.00 0.00 C ATOM 372 CG GLN A 25 -6.666 -9.189 -8.557 1.00 0.00 C ATOM 373 CD GLN A 25 -5.777 -10.316 -8.088 1.00 0.00 C ATOM 374 OE1 GLN A 25 -6.122 -11.487 -8.193 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.675 -9.963 -7.484 1.00 0.00 N ATOM 0 H GLN A 25 -6.614 -8.131 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.256 -9.044 -6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.529 -10.242 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.689 -8.499 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.639 -9.141 -9.646 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.271 -8.243 -8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.423 -8.977 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.066 -10.673 -7.078 1.00 0.00 H new ATOM 384 N ASP A 26 -7.069 -11.215 -5.446 1.00 0.00 N ATOM 385 CA ASP A 26 -6.833 -12.559 -4.951 1.00 0.00 C ATOM 386 C ASP A 26 -7.558 -12.765 -3.630 1.00 0.00 C ATOM 387 O ASP A 26 -7.597 -13.866 -3.076 1.00 0.00 O ATOM 388 CB ASP A 26 -5.332 -12.787 -4.770 1.00 0.00 C ATOM 389 CG ASP A 26 -4.992 -14.230 -4.503 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.037 -15.037 -5.449 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.662 -14.566 -3.352 1.00 0.00 O ATOM 0 H ASP A 26 -6.306 -10.564 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.217 -13.278 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.807 -12.454 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.972 -12.174 -3.943 1.00 0.00 H new ATOM 396 N GLY A 27 -8.131 -11.694 -3.118 1.00 0.00 N ATOM 397 CA GLY A 27 -8.874 -11.769 -1.875 1.00 0.00 C ATOM 398 C GLY A 27 -8.109 -11.173 -0.722 1.00 0.00 C ATOM 399 O GLY A 27 -8.653 -10.967 0.361 1.00 0.00 O ATOM 0 H GLY A 27 -8.097 -10.766 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.824 -11.246 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.108 -12.811 -1.655 1.00 0.00 H new ATOM 403 N SER A 28 -6.841 -10.896 -0.944 1.00 0.00 N ATOM 404 CA SER A 28 -6.006 -10.310 0.070 1.00 0.00 C ATOM 405 C SER A 28 -6.281 -8.828 0.167 1.00 0.00 C ATOM 406 O SER A 28 -5.934 -8.058 -0.724 1.00 0.00 O ATOM 407 CB SER A 28 -4.540 -10.558 -0.247 1.00 0.00 C ATOM 408 OG SER A 28 -4.248 -11.948 -0.229 1.00 0.00 O ATOM 0 H SER A 28 -6.367 -11.072 -1.830 1.00 0.00 H new ATOM 0 HA SER A 28 -6.234 -10.774 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.300 -10.144 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.914 -10.041 0.480 1.00 0.00 H new ATOM 0 HG SER A 28 -3.300 -12.086 -0.437 1.00 0.00 H new ATOM 414 N VAL A 29 -6.925 -8.422 1.227 1.00 0.00 N ATOM 415 CA VAL A 29 -7.277 -7.035 1.400 1.00 0.00 C ATOM 416 C VAL A 29 -6.965 -6.587 2.831 1.00 0.00 C ATOM 417 O VAL A 29 -7.352 -7.245 3.801 1.00 0.00 O ATOM 418 CB VAL A 29 -8.775 -6.794 1.089 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.153 -5.328 1.245 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.158 -7.316 -0.296 1.00 0.00 C ATOM 0 H VAL A 29 -7.219 -9.034 1.989 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.684 -6.448 0.699 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.346 -7.362 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.211 -5.199 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.960 -5.009 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.559 -4.724 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.216 -7.128 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.565 -6.805 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.966 -8.388 -0.347 1.00 0.00 H new ATOM 430 N VAL A 30 -6.286 -5.455 2.961 1.00 0.00 N ATOM 431 CA VAL A 30 -5.871 -4.933 4.268 1.00 0.00 C ATOM 432 C VAL A 30 -6.006 -3.412 4.275 1.00 0.00 C ATOM 433 O VAL A 30 -5.888 -2.771 3.237 1.00 0.00 O ATOM 434 CB VAL A 30 -4.391 -5.314 4.612 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.024 -4.856 6.018 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.155 -6.811 4.474 1.00 0.00 C ATOM 0 H VAL A 30 -6.006 -4.872 2.172 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.519 -5.382 5.021 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.750 -4.800 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.992 -5.132 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.132 -3.774 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.685 -5.334 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.118 -7.040 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.816 -7.348 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.361 -7.119 3.449 1.00 0.00 H new ATOM 446 N GLN A 31 -6.260 -2.832 5.434 1.00 0.00 N ATOM 447 CA GLN A 31 -6.400 -1.392 5.551 1.00 0.00 C ATOM 448 C GLN A 31 -5.202 -0.806 6.300 1.00 0.00 C ATOM 449 O GLN A 31 -4.723 -1.384 7.276 1.00 0.00 O ATOM 450 CB GLN A 31 -7.721 -1.052 6.245 1.00 0.00 C ATOM 451 CG GLN A 31 -8.021 0.437 6.353 1.00 0.00 C ATOM 452 CD GLN A 31 -7.439 1.096 7.602 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.112 2.271 7.592 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.330 0.351 8.683 1.00 0.00 N ATOM 0 H GLN A 31 -6.374 -3.339 6.312 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.419 -0.946 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.535 -1.534 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.709 -1.480 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.628 0.942 5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.101 0.581 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.613 -0.629 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.963 0.754 9.545 1.00 0.00 H new ATOM 463 N PHE A 32 -4.714 0.337 5.837 1.00 0.00 N ATOM 464 CA PHE A 32 -3.522 0.961 6.417 1.00 0.00 C ATOM 465 C PHE A 32 -3.765 2.429 6.730 1.00 0.00 C ATOM 466 O PHE A 32 -4.657 3.060 6.174 1.00 0.00 O ATOM 467 CB PHE A 32 -2.331 0.850 5.449 1.00 0.00 C ATOM 468 CG PHE A 32 -2.062 -0.543 4.972 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.839 -1.100 3.974 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.041 -1.299 5.521 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.612 -2.375 3.536 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.806 -2.580 5.080 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.595 -3.120 4.088 1.00 0.00 C ATOM 0 H PHE A 32 -5.123 0.856 5.060 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.297 0.432 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.517 1.489 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.438 1.233 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.637 -0.520 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.424 -0.880 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.230 -2.797 2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.004 -3.162 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.415 -4.128 3.744 1.00 0.00 H new ATOM 483 N LYS A 33 -2.951 2.976 7.613 1.00 0.00 N ATOM 484 CA LYS A 33 -3.044 4.373 8.002 1.00 0.00 C ATOM 485 C LYS A 33 -1.671 5.030 7.945 1.00 0.00 C ATOM 486 O LYS A 33 -0.770 4.681 8.717 1.00 0.00 O ATOM 487 CB LYS A 33 -3.630 4.488 9.411 1.00 0.00 C ATOM 488 CG LYS A 33 -5.142 4.387 9.453 1.00 0.00 C ATOM 489 CD LYS A 33 -5.667 4.243 10.875 1.00 0.00 C ATOM 490 CE LYS A 33 -5.310 2.893 11.473 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.860 2.735 12.840 1.00 0.00 N ATOM 0 H LYS A 33 -2.204 2.464 8.083 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.704 4.888 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.205 3.703 10.037 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.326 5.441 9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.577 5.275 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.464 3.531 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.254 5.037 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.750 4.367 10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.694 2.099 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.226 2.783 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.596 1.802 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.475 3.478 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.896 2.814 12.809 1.00 0.00 H new ATOM 505 N ILE A 34 -1.501 5.971 7.021 1.00 0.00 N ATOM 506 CA ILE A 34 -0.229 6.677 6.857 1.00 0.00 C ATOM 507 C ILE A 34 -0.461 8.174 6.698 1.00 0.00 C ATOM 508 O ILE A 34 -1.601 8.634 6.649 1.00 0.00 O ATOM 509 CB ILE A 34 0.576 6.161 5.629 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.252 6.280 4.346 1.00 0.00 C ATOM 511 CG2 ILE A 34 1.035 4.721 5.847 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.519 5.934 3.088 1.00 0.00 C ATOM 0 H ILE A 34 -2.230 6.265 6.371 1.00 0.00 H new ATOM 0 HA ILE A 34 0.352 6.482 7.758 1.00 0.00 H new ATOM 0 HB ILE A 34 1.462 6.786 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.119 5.624 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.630 7.299 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.595 4.382 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.672 4.672 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.165 4.080 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.133 6.041 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.371 6.606 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.874 4.905 3.150 1.00 0.00 H new ATOM 524 N LYS A 35 0.614 8.935 6.617 1.00 0.00 N ATOM 525 CA LYS A 35 0.517 10.374 6.464 1.00 0.00 C ATOM 526 C LYS A 35 0.297 10.723 4.988 1.00 0.00 C ATOM 527 O LYS A 35 0.761 10.017 4.103 1.00 0.00 O ATOM 528 CB LYS A 35 1.794 11.042 7.004 1.00 0.00 C ATOM 529 CG LYS A 35 1.569 12.385 7.692 1.00 0.00 C ATOM 530 CD LYS A 35 1.594 13.559 6.716 1.00 0.00 C ATOM 531 CE LYS A 35 1.390 14.880 7.454 1.00 0.00 C ATOM 532 NZ LYS A 35 1.401 16.058 6.543 1.00 0.00 N ATOM 0 H LYS A 35 1.569 8.578 6.655 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.333 10.747 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.272 10.363 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.490 11.185 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.609 12.368 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.337 12.533 8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.546 13.577 6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.813 13.431 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.441 14.849 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.174 14.998 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.258 16.927 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.316 16.108 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.636 15.964 5.844 1.00 0.00 H new ATOM 546 N ARG A 36 -0.410 11.812 4.732 1.00 0.00 N ATOM 547 CA ARG A 36 -0.725 12.246 3.368 1.00 0.00 C ATOM 548 C ARG A 36 0.542 12.570 2.550 1.00 0.00 C ATOM 549 O ARG A 36 0.515 12.584 1.320 1.00 0.00 O ATOM 550 CB ARG A 36 -1.680 13.455 3.402 1.00 0.00 C ATOM 551 CG ARG A 36 -1.989 14.044 2.034 1.00 0.00 C ATOM 552 CD ARG A 36 -3.023 15.153 2.108 1.00 0.00 C ATOM 553 NE ARG A 36 -4.338 14.655 2.513 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.439 14.718 1.750 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.378 15.235 0.527 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.598 14.266 2.215 1.00 0.00 N ATOM 0 H ARG A 36 -0.784 12.423 5.458 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.221 11.415 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.615 13.152 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.243 14.232 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.072 14.434 1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.351 13.256 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.690 15.912 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.104 15.638 1.135 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.423 14.232 3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.491 15.586 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.218 15.281 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.652 13.870 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.435 14.315 1.634 1.00 0.00 H new ATOM 570 N HIS A 37 1.654 12.809 3.224 1.00 0.00 N ATOM 571 CA HIS A 37 2.902 13.106 2.530 1.00 0.00 C ATOM 572 C HIS A 37 3.828 11.891 2.601 1.00 0.00 C ATOM 573 O HIS A 37 4.951 11.905 2.102 1.00 0.00 O ATOM 574 CB HIS A 37 3.584 14.349 3.135 1.00 0.00 C ATOM 575 CG HIS A 37 4.696 14.915 2.287 1.00 0.00 C ATOM 576 ND1 HIS A 37 4.480 15.801 1.254 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.036 14.709 2.322 1.00 0.00 C ATOM 578 CE1 HIS A 37 5.633 16.109 0.691 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.593 15.461 1.320 1.00 0.00 N ATOM 0 H HIS A 37 1.722 12.804 4.242 1.00 0.00 H new ATOM 0 HA HIS A 37 2.682 13.325 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.832 15.122 3.293 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.985 14.090 4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.567 14.070 3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.767 16.780 -0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.587 15.511 1.098 1.00 0.00 H new ATOM 588 N THR A 38 3.341 10.837 3.223 1.00 0.00 N ATOM 589 CA THR A 38 4.087 9.611 3.361 1.00 0.00 C ATOM 590 C THR A 38 3.907 8.740 2.118 1.00 0.00 C ATOM 591 O THR A 38 2.791 8.543 1.653 1.00 0.00 O ATOM 592 CB THR A 38 3.638 8.843 4.629 1.00 0.00 C ATOM 593 OG1 THR A 38 4.169 9.483 5.796 1.00 0.00 O ATOM 594 CG2 THR A 38 4.082 7.390 4.589 1.00 0.00 C ATOM 0 H THR A 38 2.414 10.810 3.647 1.00 0.00 H new ATOM 0 HA THR A 38 5.144 9.857 3.464 1.00 0.00 H new ATOM 0 HB THR A 38 2.549 8.859 4.664 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.881 8.995 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.749 6.883 5.495 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.646 6.900 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.169 7.343 4.526 1.00 0.00 H new ATOM 602 N PRO A 39 5.015 8.220 1.561 1.00 0.00 N ATOM 603 CA PRO A 39 4.978 7.393 0.354 1.00 0.00 C ATOM 604 C PRO A 39 4.223 6.084 0.575 1.00 0.00 C ATOM 605 O PRO A 39 4.282 5.483 1.659 1.00 0.00 O ATOM 606 CB PRO A 39 6.456 7.119 0.054 1.00 0.00 C ATOM 607 CG PRO A 39 7.152 7.324 1.355 1.00 0.00 C ATOM 608 CD PRO A 39 6.382 8.386 2.078 1.00 0.00 C ATOM 0 HA PRO A 39 4.455 7.890 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.603 6.105 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.837 7.797 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.177 6.400 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.186 7.631 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.423 8.248 3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.774 9.381 1.868 1.00 0.00 H new ATOM 616 N LEU A 40 3.528 5.629 -0.459 1.00 0.00 N ATOM 617 CA LEU A 40 2.728 4.416 -0.386 1.00 0.00 C ATOM 618 C LEU A 40 3.589 3.179 -0.162 1.00 0.00 C ATOM 619 O LEU A 40 3.085 2.129 0.223 1.00 0.00 O ATOM 620 CB LEU A 40 1.868 4.243 -1.643 1.00 0.00 C ATOM 621 CG LEU A 40 0.870 5.375 -1.942 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.080 4.973 -3.059 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.091 5.760 -0.693 1.00 0.00 C ATOM 0 H LEU A 40 3.503 6.089 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 40 2.069 4.524 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.532 4.136 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.311 3.310 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 40 1.439 6.246 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.777 5.788 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.491 4.759 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.635 4.084 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.607 6.562 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.462 4.895 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.783 6.100 0.077 1.00 0.00 H new ATOM 635 N SER A 41 4.898 3.307 -0.399 1.00 0.00 N ATOM 636 CA SER A 41 5.839 2.200 -0.227 1.00 0.00 C ATOM 637 C SER A 41 5.664 1.536 1.139 1.00 0.00 C ATOM 638 O SER A 41 5.764 0.317 1.261 1.00 0.00 O ATOM 639 CB SER A 41 7.283 2.697 -0.385 1.00 0.00 C ATOM 640 OG SER A 41 8.200 1.614 -0.474 1.00 0.00 O ATOM 0 H SER A 41 5.331 4.175 -0.713 1.00 0.00 H new ATOM 0 HA SER A 41 5.629 1.459 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.360 3.315 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.546 3.329 0.463 1.00 0.00 H new ATOM 0 HG SER A 41 8.804 1.758 -1.233 1.00 0.00 H new ATOM 646 N LYS A 42 5.381 2.339 2.169 1.00 0.00 N ATOM 647 CA LYS A 42 5.176 1.814 3.515 1.00 0.00 C ATOM 648 C LYS A 42 4.074 0.758 3.529 1.00 0.00 C ATOM 649 O LYS A 42 4.286 -0.369 3.974 1.00 0.00 O ATOM 650 CB LYS A 42 4.811 2.951 4.478 1.00 0.00 C ATOM 651 CG LYS A 42 5.927 3.969 4.734 1.00 0.00 C ATOM 652 CD LYS A 42 7.053 3.384 5.589 1.00 0.00 C ATOM 653 CE LYS A 42 8.202 2.848 4.744 1.00 0.00 C ATOM 654 NZ LYS A 42 8.958 3.935 4.077 1.00 0.00 N ATOM 0 H LYS A 42 5.290 3.352 2.093 1.00 0.00 H new ATOM 0 HA LYS A 42 6.107 1.349 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.944 3.478 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.511 2.516 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.334 4.308 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.511 4.845 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.429 4.152 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.655 2.581 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.878 2.272 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.810 2.165 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.892 3.581 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.435 4.258 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.078 4.730 4.737 1.00 0.00 H new ATOM 668 N LEU A 43 2.907 1.107 3.006 1.00 0.00 N ATOM 669 CA LEU A 43 1.792 0.176 2.985 1.00 0.00 C ATOM 670 C LEU A 43 1.981 -0.893 1.931 1.00 0.00 C ATOM 671 O LEU A 43 1.531 -2.018 2.097 1.00 0.00 O ATOM 672 CB LEU A 43 0.430 0.897 2.833 1.00 0.00 C ATOM 673 CG LEU A 43 0.209 1.775 1.583 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.041 0.935 0.338 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.958 2.700 1.815 1.00 0.00 C ATOM 0 H LEU A 43 2.710 2.019 2.595 1.00 0.00 H new ATOM 0 HA LEU A 43 1.776 -0.321 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.353 0.139 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.285 1.525 3.712 1.00 0.00 H new ATOM 0 HG LEU A 43 1.117 2.354 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.192 1.591 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.819 0.291 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.930 0.321 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.113 3.319 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.855 2.112 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.751 3.338 2.674 1.00 0.00 H new ATOM 687 N MET A 44 2.643 -0.539 0.835 1.00 0.00 N ATOM 688 CA MET A 44 2.872 -1.482 -0.246 1.00 0.00 C ATOM 689 C MET A 44 3.672 -2.679 0.221 1.00 0.00 C ATOM 690 O MET A 44 3.246 -3.824 0.067 1.00 0.00 O ATOM 691 CB MET A 44 3.601 -0.815 -1.400 1.00 0.00 C ATOM 692 CG MET A 44 2.752 0.128 -2.215 1.00 0.00 C ATOM 693 SD MET A 44 3.605 0.692 -3.690 1.00 0.00 S ATOM 694 CE MET A 44 2.383 1.792 -4.384 1.00 0.00 C ATOM 0 H MET A 44 3.028 0.392 0.675 1.00 0.00 H new ATOM 0 HA MET A 44 1.893 -1.824 -0.583 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.455 -0.265 -1.004 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.997 -1.588 -2.058 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.826 -0.371 -2.500 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.476 0.988 -1.604 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.219 1.539 -5.431 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.447 1.689 -3.835 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.736 2.821 -4.310 1.00 0.00 H new ATOM 704 N LYS A 45 4.830 -2.424 0.810 1.00 0.00 N ATOM 705 CA LYS A 45 5.676 -3.503 1.286 1.00 0.00 C ATOM 706 C LYS A 45 4.991 -4.223 2.443 1.00 0.00 C ATOM 707 O LYS A 45 5.012 -5.447 2.525 1.00 0.00 O ATOM 708 CB LYS A 45 7.048 -2.979 1.741 1.00 0.00 C ATOM 709 CG LYS A 45 7.702 -1.992 0.784 1.00 0.00 C ATOM 710 CD LYS A 45 8.030 -2.631 -0.548 1.00 0.00 C ATOM 711 CE LYS A 45 8.537 -1.600 -1.541 1.00 0.00 C ATOM 712 NZ LYS A 45 9.796 -0.957 -1.088 1.00 0.00 N ATOM 0 H LYS A 45 5.202 -1.487 0.968 1.00 0.00 H new ATOM 0 HA LYS A 45 5.835 -4.198 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.934 -2.500 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.718 -3.828 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.036 -1.144 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.615 -1.601 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.784 -3.406 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.142 -3.120 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.702 -2.078 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.774 -0.836 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.114 -0.273 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.629 -0.463 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.528 -1.683 -0.954 1.00 0.00 H new ATOM 726 N ALA A 46 4.344 -3.449 3.318 1.00 0.00 N ATOM 727 CA ALA A 46 3.663 -3.999 4.489 1.00 0.00 C ATOM 728 C ALA A 46 2.561 -4.963 4.081 1.00 0.00 C ATOM 729 O ALA A 46 2.458 -6.070 4.612 1.00 0.00 O ATOM 730 CB ALA A 46 3.096 -2.883 5.349 1.00 0.00 C ATOM 0 H ALA A 46 4.278 -2.434 3.235 1.00 0.00 H new ATOM 0 HA ALA A 46 4.398 -4.553 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.593 -3.311 6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.906 -2.234 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.382 -2.301 4.766 1.00 0.00 H new ATOM 736 N TYR A 47 1.728 -4.540 3.131 1.00 0.00 N ATOM 737 CA TYR A 47 0.644 -5.366 2.615 1.00 0.00 C ATOM 738 C TYR A 47 1.171 -6.694 2.110 1.00 0.00 C ATOM 739 O TYR A 47 0.694 -7.750 2.502 1.00 0.00 O ATOM 740 CB TYR A 47 -0.099 -4.621 1.483 1.00 0.00 C ATOM 741 CG TYR A 47 -1.005 -5.501 0.638 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.334 -5.717 0.990 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.527 -6.110 -0.520 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.154 -6.512 0.216 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.340 -6.904 -1.296 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.650 -7.104 -0.927 1.00 0.00 C ATOM 747 OH TYR A 47 -3.460 -7.895 -1.707 1.00 0.00 O ATOM 0 H TYR A 47 1.787 -3.617 2.700 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.054 -5.563 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.696 -3.822 1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.637 -4.148 0.832 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.729 -5.255 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.501 -5.956 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.183 -6.671 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.951 -7.368 -2.191 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.399 -7.710 -1.496 1.00 0.00 H new ATOM 757 N CYS A 48 2.167 -6.643 1.263 1.00 0.00 N ATOM 758 CA CYS A 48 2.730 -7.838 0.683 1.00 0.00 C ATOM 759 C CYS A 48 3.366 -8.727 1.741 1.00 0.00 C ATOM 760 O CYS A 48 3.245 -9.943 1.691 1.00 0.00 O ATOM 761 CB CYS A 48 3.729 -7.461 -0.378 1.00 0.00 C ATOM 762 SG CYS A 48 3.025 -6.422 -1.653 1.00 0.00 S ATOM 0 H CYS A 48 2.610 -5.777 0.956 1.00 0.00 H new ATOM 0 HA CYS A 48 1.925 -8.413 0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.567 -6.941 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.128 -8.367 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 48 3.885 -5.508 -1.992 1.00 0.00 H new ATOM 768 N GLU A 49 4.022 -8.124 2.716 1.00 0.00 N ATOM 769 CA GLU A 49 4.643 -8.885 3.785 1.00 0.00 C ATOM 770 C GLU A 49 3.600 -9.630 4.616 1.00 0.00 C ATOM 771 O GLU A 49 3.783 -10.796 4.954 1.00 0.00 O ATOM 772 CB GLU A 49 5.496 -7.984 4.677 1.00 0.00 C ATOM 773 CG GLU A 49 6.736 -7.452 3.991 1.00 0.00 C ATOM 774 CD GLU A 49 7.704 -6.815 4.955 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.478 -5.660 5.363 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.705 -7.470 5.311 1.00 0.00 O ATOM 0 H GLU A 49 4.138 -7.113 2.790 1.00 0.00 H new ATOM 0 HA GLU A 49 5.296 -9.625 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.890 -7.144 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.793 -8.542 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.235 -8.267 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.444 -6.720 3.238 1.00 0.00 H new ATOM 783 N ARG A 50 2.493 -8.971 4.922 1.00 0.00 N ATOM 784 CA ARG A 50 1.445 -9.580 5.731 1.00 0.00 C ATOM 785 C ARG A 50 0.555 -10.505 4.896 1.00 0.00 C ATOM 786 O ARG A 50 -0.077 -11.421 5.424 1.00 0.00 O ATOM 787 CB ARG A 50 0.602 -8.496 6.434 1.00 0.00 C ATOM 788 CG ARG A 50 -0.060 -7.507 5.491 1.00 0.00 C ATOM 789 CD ARG A 50 -0.637 -6.312 6.237 1.00 0.00 C ATOM 790 NE ARG A 50 0.392 -5.565 6.969 1.00 0.00 N ATOM 791 CZ ARG A 50 0.153 -4.507 7.757 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.095 -4.106 7.985 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.162 -3.870 8.334 1.00 0.00 N ATOM 0 H ARG A 50 2.296 -8.016 4.624 1.00 0.00 H new ATOM 0 HA ARG A 50 1.928 -10.191 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.169 -8.983 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.241 -7.948 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.669 -7.160 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.854 -8.008 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.131 -5.647 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.400 -6.656 6.936 1.00 0.00 H new ATOM 0 HE ARG A 50 1.359 -5.873 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.877 -4.604 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.270 -3.300 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.120 -4.185 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.981 -3.065 8.934 1.00 0.00 H new ATOM 807 N GLN A 51 0.495 -10.268 3.586 1.00 0.00 N ATOM 808 CA GLN A 51 -0.337 -11.084 2.702 1.00 0.00 C ATOM 809 C GLN A 51 0.456 -12.197 2.032 1.00 0.00 C ATOM 810 O GLN A 51 -0.108 -13.071 1.382 1.00 0.00 O ATOM 811 CB GLN A 51 -1.040 -10.217 1.656 1.00 0.00 C ATOM 812 CG GLN A 51 -2.042 -9.246 2.259 1.00 0.00 C ATOM 813 CD GLN A 51 -2.979 -9.924 3.237 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.044 -10.406 2.869 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.573 -9.977 4.487 1.00 0.00 N ATOM 0 H GLN A 51 1.009 -9.523 3.116 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.095 -11.557 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.292 -9.656 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.553 -10.863 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.507 -8.444 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.624 -8.785 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.679 -9.563 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.152 -10.432 5.192 1.00 0.00 H new ATOM 824 N GLY A 52 1.766 -12.163 2.188 1.00 0.00 N ATOM 825 CA GLY A 52 2.622 -13.188 1.600 1.00 0.00 C ATOM 826 C GLY A 52 2.943 -12.923 0.134 1.00 0.00 C ATOM 827 O GLY A 52 3.613 -13.726 -0.529 1.00 0.00 O ATOM 0 H GLY A 52 2.263 -11.443 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.552 -13.246 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.133 -14.158 1.690 1.00 0.00 H new ATOM 831 N LEU A 53 2.470 -11.803 -0.377 1.00 0.00 N ATOM 832 CA LEU A 53 2.683 -11.434 -1.770 1.00 0.00 C ATOM 833 C LEU A 53 4.054 -10.831 -1.994 1.00 0.00 C ATOM 834 O LEU A 53 4.703 -10.342 -1.069 1.00 0.00 O ATOM 835 CB LEU A 53 1.605 -10.456 -2.238 1.00 0.00 C ATOM 836 CG LEU A 53 0.356 -11.081 -2.863 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.204 -12.174 -1.978 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.689 -10.014 -3.109 1.00 0.00 C ATOM 0 H LEU A 53 1.929 -11.123 0.156 1.00 0.00 H new ATOM 0 HA LEU A 53 2.620 -12.350 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.296 -9.852 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.050 -9.777 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 53 0.636 -11.530 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.091 -12.602 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.546 -12.953 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.471 -11.755 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.575 -10.468 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.959 -9.544 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.288 -9.261 -3.787 1.00 0.00 H new ATOM 850 N SER A 54 4.500 -10.883 -3.225 1.00 0.00 N ATOM 851 CA SER A 54 5.778 -10.327 -3.605 1.00 0.00 C ATOM 852 C SER A 54 5.599 -9.055 -4.426 1.00 0.00 C ATOM 853 O SER A 54 4.843 -9.032 -5.391 1.00 0.00 O ATOM 854 CB SER A 54 6.549 -11.347 -4.408 1.00 0.00 C ATOM 855 OG SER A 54 6.946 -12.449 -3.611 1.00 0.00 O ATOM 0 H SER A 54 3.987 -11.313 -3.995 1.00 0.00 H new ATOM 0 HA SER A 54 6.329 -10.073 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.934 -11.699 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.430 -10.877 -4.844 1.00 0.00 H new ATOM 0 HG SER A 54 7.300 -13.158 -4.187 1.00 0.00 H new ATOM 861 N MET A 55 6.336 -8.012 -4.064 1.00 0.00 N ATOM 862 CA MET A 55 6.249 -6.702 -4.730 1.00 0.00 C ATOM 863 C MET A 55 6.530 -6.794 -6.233 1.00 0.00 C ATOM 864 O MET A 55 5.994 -6.025 -7.020 1.00 0.00 O ATOM 865 CB MET A 55 7.233 -5.708 -4.083 1.00 0.00 C ATOM 866 CG MET A 55 6.951 -5.405 -2.623 1.00 0.00 C ATOM 867 SD MET A 55 5.360 -4.598 -2.379 1.00 0.00 S ATOM 868 CE MET A 55 5.597 -3.053 -3.243 1.00 0.00 C ATOM 0 H MET A 55 7.013 -8.042 -3.302 1.00 0.00 H new ATOM 0 HA MET A 55 5.226 -6.348 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.243 -6.108 -4.170 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.210 -4.775 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.975 -6.333 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.742 -4.767 -2.229 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.687 -2.797 -3.786 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.825 -2.266 -2.525 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.424 -3.153 -3.946 1.00 0.00 H new ATOM 878 N ARG A 56 7.373 -7.734 -6.631 1.00 0.00 N ATOM 879 CA ARG A 56 7.744 -7.881 -8.040 1.00 0.00 C ATOM 880 C ARG A 56 6.720 -8.716 -8.792 1.00 0.00 C ATOM 881 O ARG A 56 6.472 -8.508 -9.979 1.00 0.00 O ATOM 882 CB ARG A 56 9.137 -8.518 -8.189 1.00 0.00 C ATOM 883 CG ARG A 56 10.253 -7.784 -7.457 1.00 0.00 C ATOM 884 CD ARG A 56 10.318 -8.179 -5.991 1.00 0.00 C ATOM 885 NE ARG A 56 10.652 -9.593 -5.812 1.00 0.00 N ATOM 886 CZ ARG A 56 10.709 -10.209 -4.628 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.463 -9.535 -3.515 1.00 0.00 N ATOM 888 NH2 ARG A 56 11.016 -11.496 -4.564 1.00 0.00 N ATOM 0 H ARG A 56 7.815 -8.407 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 56 7.769 -6.880 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.094 -9.544 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.387 -8.568 -9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.208 -8.003 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.095 -6.708 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.062 -7.565 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.358 -7.972 -5.518 1.00 0.00 H new ATOM 0 HE ARG A 56 10.854 -10.144 -6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.229 -8.543 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.507 -10.008 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.209 -12.017 -5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.059 -11.966 -3.660 1.00 0.00 H new ATOM 902 N GLN A 57 6.103 -9.652 -8.092 1.00 0.00 N ATOM 903 CA GLN A 57 5.142 -10.557 -8.702 1.00 0.00 C ATOM 904 C GLN A 57 3.770 -9.927 -8.755 1.00 0.00 C ATOM 905 O GLN A 57 2.888 -10.375 -9.483 1.00 0.00 O ATOM 906 CB GLN A 57 5.101 -11.890 -7.949 1.00 0.00 C ATOM 907 CG GLN A 57 6.261 -12.815 -8.279 1.00 0.00 C ATOM 908 CD GLN A 57 7.419 -12.654 -7.342 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.534 -13.361 -6.345 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.267 -11.715 -7.638 1.00 0.00 N ATOM 0 H GLN A 57 6.251 -9.806 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 57 5.462 -10.754 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.100 -11.692 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.165 -12.399 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.916 -13.848 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.595 -12.621 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.132 -11.152 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.068 -11.541 -7.031 1.00 0.00 H new ATOM 919 N ILE A 58 3.579 -8.888 -7.983 1.00 0.00 N ATOM 920 CA ILE A 58 2.320 -8.184 -7.981 1.00 0.00 C ATOM 921 C ILE A 58 2.516 -6.750 -8.437 1.00 0.00 C ATOM 922 O ILE A 58 3.631 -6.333 -8.750 1.00 0.00 O ATOM 923 CB ILE A 58 1.661 -8.191 -6.587 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.343 -7.191 -5.660 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.733 -9.590 -5.992 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.567 -6.926 -4.402 1.00 0.00 C ATOM 0 H ILE A 58 4.280 -8.509 -7.346 1.00 0.00 H new ATOM 0 HA ILE A 58 1.659 -8.705 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 58 0.617 -7.898 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.332 -7.565 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.489 -6.252 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.266 -9.591 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.208 -10.290 -6.643 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.776 -9.893 -5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.107 -6.206 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.587 -6.523 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.443 -7.857 -3.848 1.00 0.00 H new ATOM 938 N ARG A 59 1.438 -5.999 -8.497 1.00 0.00 N ATOM 939 CA ARG A 59 1.511 -4.612 -8.869 1.00 0.00 C ATOM 940 C ARG A 59 0.317 -3.860 -8.313 1.00 0.00 C ATOM 941 O ARG A 59 -0.831 -4.324 -8.407 1.00 0.00 O ATOM 942 CB ARG A 59 1.576 -4.454 -10.393 1.00 0.00 C ATOM 943 CG ARG A 59 2.028 -3.073 -10.853 1.00 0.00 C ATOM 944 CD ARG A 59 3.446 -2.779 -10.382 1.00 0.00 C ATOM 945 NE ARG A 59 3.949 -1.495 -10.873 1.00 0.00 N ATOM 946 CZ ARG A 59 5.103 -0.941 -10.484 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.898 -1.579 -9.627 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.473 0.237 -10.973 1.00 0.00 N ATOM 0 H ARG A 59 0.497 -6.333 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 59 2.424 -4.192 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.258 -5.202 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.591 -4.661 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.983 -3.015 -11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.347 -2.315 -10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.470 -2.782 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.109 -3.577 -10.718 1.00 0.00 H new ATOM 0 HE ARG A 59 3.383 -0.990 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.628 -2.493 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.777 -1.153 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.877 0.720 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.353 0.659 -10.676 1.00 0.00 H new ATOM 962 N PHE A 60 0.588 -2.724 -7.706 1.00 0.00 N ATOM 963 CA PHE A 60 -0.447 -1.866 -7.169 1.00 0.00 C ATOM 964 C PHE A 60 -1.004 -0.983 -8.274 1.00 0.00 C ATOM 965 O PHE A 60 -0.256 -0.481 -9.120 1.00 0.00 O ATOM 966 CB PHE A 60 0.119 -1.003 -6.040 1.00 0.00 C ATOM 967 CG PHE A 60 0.203 -1.690 -4.703 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.868 -2.897 -4.558 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.382 -1.119 -3.590 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.939 -3.518 -3.325 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.314 -1.732 -2.361 1.00 0.00 C ATOM 972 CZ PHE A 60 0.344 -2.933 -2.226 1.00 0.00 C ATOM 0 H PHE A 60 1.534 -2.369 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.250 -2.483 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.116 -0.667 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.500 -0.112 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.335 -3.357 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.901 -0.177 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.459 -4.459 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.777 -1.271 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.395 -3.417 -1.262 1.00 0.00 H new ATOM 982 N ARG A 61 -2.302 -0.795 -8.286 1.00 0.00 N ATOM 983 CA ARG A 61 -2.936 -0.007 -9.317 1.00 0.00 C ATOM 984 C ARG A 61 -4.107 0.787 -8.754 1.00 0.00 C ATOM 985 O ARG A 61 -4.812 0.332 -7.862 1.00 0.00 O ATOM 986 CB ARG A 61 -3.413 -0.929 -10.443 1.00 0.00 C ATOM 987 CG ARG A 61 -4.059 -0.213 -11.610 1.00 0.00 C ATOM 988 CD ARG A 61 -4.557 -1.199 -12.648 1.00 0.00 C ATOM 989 NE ARG A 61 -3.475 -2.027 -13.188 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.645 -3.284 -13.622 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.864 -3.805 -13.690 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.602 -4.003 -14.013 1.00 0.00 N ATOM 0 H ARG A 61 -2.942 -1.178 -7.591 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.209 0.703 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.562 -1.502 -10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.126 -1.644 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.891 0.394 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.340 0.468 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.316 -1.842 -12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.037 -0.656 -13.462 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.539 -1.624 -13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.673 -3.249 -13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.992 -4.761 -14.020 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.665 -3.600 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.736 -4.959 -14.342 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.299 1.983 -9.265 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.404 2.823 -8.862 1.00 0.00 C ATOM 1008 C PHE A 62 -5.819 3.687 -10.026 1.00 0.00 C ATOM 1009 O PHE A 62 -4.973 4.241 -10.715 1.00 0.00 O ATOM 1010 CB PHE A 62 -5.024 3.706 -7.668 1.00 0.00 C ATOM 1011 CG PHE A 62 -6.139 4.614 -7.224 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -7.140 4.143 -6.399 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.189 5.937 -7.643 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -8.170 4.969 -5.996 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.214 6.767 -7.241 1.00 0.00 C ATOM 1016 CZ PHE A 62 -8.205 6.284 -6.417 1.00 0.00 C ATOM 0 H PHE A 62 -3.693 2.400 -9.972 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.233 2.185 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.728 3.070 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.156 4.310 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.117 3.116 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.415 6.321 -8.292 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.948 4.587 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.239 7.795 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.009 6.932 -6.100 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.122 3.788 -10.268 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.675 4.604 -11.368 1.00 0.00 C ATOM 1028 C ASP A 63 -7.320 3.993 -12.707 1.00 0.00 C ATOM 1029 O ASP A 63 -7.272 4.671 -13.730 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.154 6.046 -11.306 1.00 0.00 C ATOM 1031 CG ASP A 63 -8.073 7.025 -12.011 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.171 7.297 -11.475 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.713 7.521 -13.100 1.00 0.00 O ATOM 0 H ASP A 63 -7.832 3.311 -9.713 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.759 4.623 -11.255 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.042 6.344 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.164 6.091 -11.759 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.085 2.701 -12.708 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.701 2.027 -13.921 1.00 0.00 C ATOM 1040 C GLY A 64 -5.212 2.124 -14.181 1.00 0.00 C ATOM 1041 O GLY A 64 -4.636 1.284 -14.873 1.00 0.00 O ATOM 0 H GLY A 64 -7.153 2.101 -11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.990 0.978 -13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.244 2.458 -14.762 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.573 3.142 -13.626 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.142 3.314 -13.811 1.00 0.00 C ATOM 1047 C GLN A 65 -2.368 2.669 -12.670 1.00 0.00 C ATOM 1048 O GLN A 65 -2.764 2.765 -11.504 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.768 4.795 -13.932 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.191 5.633 -12.745 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.481 6.965 -12.681 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.118 7.545 -13.705 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.260 7.446 -11.477 1.00 0.00 N ATOM 0 H GLN A 65 -5.018 3.855 -13.049 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.871 2.818 -14.743 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.688 4.878 -14.057 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.225 5.203 -14.834 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.267 5.803 -12.792 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.995 5.078 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.579 6.932 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.770 8.334 -11.364 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.276 1.974 -12.979 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.441 1.360 -11.963 1.00 0.00 C ATOM 1064 C PRO A 66 0.301 2.416 -11.143 1.00 0.00 C ATOM 1065 O PRO A 66 0.689 3.466 -11.660 1.00 0.00 O ATOM 1066 CB PRO A 66 0.544 0.502 -12.764 1.00 0.00 C ATOM 1067 CG PRO A 66 0.583 1.124 -14.116 1.00 0.00 C ATOM 1068 CD PRO A 66 -0.773 1.730 -14.345 1.00 0.00 C ATOM 0 HA PRO A 66 -1.020 0.780 -11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.531 0.499 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.213 -0.535 -12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.362 1.884 -14.171 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.809 0.380 -14.879 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.708 2.654 -14.920 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.426 1.055 -14.899 1.00 0.00 H new ATOM 1076 N ILE A 67 0.495 2.146 -9.875 1.00 0.00 N ATOM 1077 CA ILE A 67 1.187 3.073 -9.000 1.00 0.00 C ATOM 1078 C ILE A 67 2.500 2.481 -8.546 1.00 0.00 C ATOM 1079 O ILE A 67 2.709 1.266 -8.620 1.00 0.00 O ATOM 1080 CB ILE A 67 0.328 3.492 -7.781 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.281 2.266 -7.095 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.755 4.477 -8.209 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.223 2.598 -5.956 1.00 0.00 C ATOM 0 H ILE A 67 0.183 1.288 -9.420 1.00 0.00 H new ATOM 0 HA ILE A 67 1.380 3.978 -9.576 1.00 0.00 H new ATOM 0 HB ILE A 67 0.974 3.989 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.820 1.678 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.525 1.638 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.351 4.762 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.290 5.365 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.399 4.009 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.611 1.676 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.686 3.159 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.051 3.199 -6.332 1.00 0.00 H new ATOM 1095 N ASN A 68 3.389 3.322 -8.091 1.00 0.00 N ATOM 1096 CA ASN A 68 4.705 2.898 -7.675 1.00 0.00 C ATOM 1097 C ASN A 68 4.949 3.255 -6.243 1.00 0.00 C ATOM 1098 O ASN A 68 4.401 4.213 -5.741 1.00 0.00 O ATOM 1099 CB ASN A 68 5.796 3.518 -8.560 1.00 0.00 C ATOM 1100 CG ASN A 68 5.512 4.951 -9.008 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.869 5.337 -10.115 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.897 5.748 -8.153 1.00 0.00 N ATOM 0 H ASN A 68 3.224 4.324 -7.997 1.00 0.00 H new ATOM 0 HA ASN A 68 4.749 1.814 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.740 3.502 -8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.927 2.894 -9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.706 6.717 -8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.613 5.394 -7.239 1.00 0.00 H new ATOM 1109 N GLU A 69 5.817 2.508 -5.593 1.00 0.00 N ATOM 1110 CA GLU A 69 6.124 2.719 -4.180 1.00 0.00 C ATOM 1111 C GLU A 69 6.681 4.124 -3.918 1.00 0.00 C ATOM 1112 O GLU A 69 6.766 4.572 -2.775 1.00 0.00 O ATOM 1113 CB GLU A 69 7.131 1.679 -3.709 1.00 0.00 C ATOM 1114 CG GLU A 69 8.479 1.796 -4.386 1.00 0.00 C ATOM 1115 CD GLU A 69 9.533 0.966 -3.712 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.967 1.347 -2.606 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.937 -0.064 -4.276 1.00 0.00 O ATOM 0 H GLU A 69 6.332 1.738 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 69 5.192 2.618 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.265 1.776 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.726 0.684 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.388 1.486 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.791 2.840 -4.390 1.00 0.00 H new ATOM 1124 N THR A 70 7.042 4.823 -4.976 1.00 0.00 N ATOM 1125 CA THR A 70 7.621 6.131 -4.849 1.00 0.00 C ATOM 1126 C THR A 70 6.557 7.224 -5.004 1.00 0.00 C ATOM 1127 O THR A 70 6.879 8.415 -5.055 1.00 0.00 O ATOM 1128 CB THR A 70 8.763 6.341 -5.879 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.426 7.592 -5.648 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.234 6.305 -7.303 1.00 0.00 C ATOM 0 H THR A 70 6.940 4.497 -5.937 1.00 0.00 H new ATOM 0 HA THR A 70 8.045 6.205 -3.848 1.00 0.00 H new ATOM 0 HB THR A 70 9.474 5.525 -5.750 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.771 8.261 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.058 6.455 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.768 5.338 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.496 7.096 -7.437 1.00 0.00 H new ATOM 1138 N ASP A 71 5.286 6.837 -5.058 1.00 0.00 N ATOM 1139 CA ASP A 71 4.216 7.819 -5.202 1.00 0.00 C ATOM 1140 C ASP A 71 3.658 8.184 -3.837 1.00 0.00 C ATOM 1141 O ASP A 71 3.803 7.428 -2.860 1.00 0.00 O ATOM 1142 CB ASP A 71 3.091 7.308 -6.130 1.00 0.00 C ATOM 1143 CG ASP A 71 1.965 6.608 -5.411 1.00 0.00 C ATOM 1144 OD1 ASP A 71 2.059 5.390 -5.209 1.00 0.00 O ATOM 1145 OD2 ASP A 71 0.967 7.282 -5.089 1.00 0.00 O ATOM 0 H ASP A 71 4.975 5.867 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 71 4.639 8.710 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.683 8.152 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.521 6.623 -6.861 1.00 0.00 H new ATOM 1150 N THR A 72 3.063 9.352 -3.745 1.00 0.00 N ATOM 1151 CA THR A 72 2.487 9.812 -2.507 1.00 0.00 C ATOM 1152 C THR A 72 0.980 10.020 -2.659 1.00 0.00 C ATOM 1153 O THR A 72 0.509 10.417 -3.729 1.00 0.00 O ATOM 1154 CB THR A 72 3.148 11.130 -2.046 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.008 12.131 -3.067 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.625 10.917 -1.757 1.00 0.00 C ATOM 0 H THR A 72 2.966 10.005 -4.523 1.00 0.00 H new ATOM 0 HA THR A 72 2.668 9.046 -1.752 1.00 0.00 H new ATOM 0 HB THR A 72 2.651 11.460 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.428 12.964 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.072 11.857 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.738 10.172 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.126 10.569 -2.660 1.00 0.00 H new ATOM 1164 N PRO A 73 0.203 9.772 -1.585 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.258 9.916 -1.611 1.00 0.00 C ATOM 1166 C PRO A 73 -1.696 11.345 -1.942 1.00 0.00 C ATOM 1167 O PRO A 73 -2.799 11.577 -2.421 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.694 9.535 -0.189 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.463 9.657 0.640 1.00 0.00 C ATOM 1170 CD PRO A 73 0.682 9.327 -0.269 1.00 0.00 C ATOM 0 HA PRO A 73 -1.709 9.293 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.480 10.197 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.092 8.521 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.363 10.665 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.496 8.975 1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.593 9.848 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.908 8.261 -0.262 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.824 12.303 -1.699 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.128 13.700 -1.973 1.00 0.00 C ATOM 1180 C ALA A 74 -0.994 14.004 -3.461 1.00 0.00 C ATOM 1181 O ALA A 74 -1.592 14.948 -3.974 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.215 14.606 -1.170 1.00 0.00 C ATOM 0 H ALA A 74 0.105 12.142 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.160 13.887 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.454 15.647 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.356 14.414 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.822 14.409 -1.440 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.219 13.188 -4.155 1.00 0.00 N ATOM 1189 CA GLN A 75 0.037 13.373 -5.572 1.00 0.00 C ATOM 1190 C GLN A 75 -1.207 13.037 -6.386 1.00 0.00 C ATOM 1191 O GLN A 75 -1.703 13.849 -7.159 1.00 0.00 O ATOM 1192 CB GLN A 75 1.179 12.461 -5.989 1.00 0.00 C ATOM 1193 CG GLN A 75 1.811 12.802 -7.316 1.00 0.00 C ATOM 1194 CD GLN A 75 2.911 11.826 -7.669 1.00 0.00 C ATOM 1195 OE1 GLN A 75 2.673 10.817 -8.330 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.111 12.106 -7.214 1.00 0.00 N ATOM 0 H GLN A 75 0.251 12.378 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 75 0.302 14.414 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.949 12.491 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.810 11.436 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.050 12.793 -8.096 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.217 13.813 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.265 12.955 -6.669 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.889 11.475 -7.405 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.717 11.833 -6.192 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.907 11.388 -6.916 1.00 0.00 C ATOM 1207 C LEU A 76 -4.192 11.822 -6.206 1.00 0.00 C ATOM 1208 O LEU A 76 -5.291 11.415 -6.581 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.895 9.862 -7.147 1.00 0.00 C ATOM 1210 CG LEU A 76 -3.218 8.960 -5.944 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -3.312 7.517 -6.388 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.175 9.097 -4.852 1.00 0.00 C ATOM 0 H LEU A 76 -1.332 11.146 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.886 11.872 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.609 9.636 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.909 9.586 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.177 9.278 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.541 6.886 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.101 7.416 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.361 7.207 -6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.434 8.446 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.198 8.813 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.141 10.131 -4.509 1.00 0.00 H new ATOM 1224 N GLU A 77 -4.039 12.668 -5.186 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.161 13.190 -4.401 1.00 0.00 C ATOM 1226 C GLU A 77 -6.013 12.080 -3.806 1.00 0.00 C ATOM 1227 O GLU A 77 -7.210 11.956 -4.088 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.015 14.157 -5.214 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.310 15.456 -5.545 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.228 16.452 -6.196 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.128 16.975 -5.504 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.058 16.730 -7.399 1.00 0.00 O ATOM 0 H GLU A 77 -3.129 13.013 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.726 13.745 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.317 13.671 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.926 14.379 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.899 15.887 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.469 15.252 -6.208 1.00 0.00 H new ATOM 1239 N MET A 78 -5.387 11.270 -2.996 1.00 0.00 N ATOM 1240 CA MET A 78 -6.060 10.196 -2.311 1.00 0.00 C ATOM 1241 C MET A 78 -6.699 10.722 -1.044 1.00 0.00 C ATOM 1242 O MET A 78 -6.131 11.580 -0.358 1.00 0.00 O ATOM 1243 CB MET A 78 -5.071 9.082 -1.988 1.00 0.00 C ATOM 1244 CG MET A 78 -5.383 7.765 -2.674 1.00 0.00 C ATOM 1245 SD MET A 78 -3.990 6.632 -2.643 1.00 0.00 S ATOM 1246 CE MET A 78 -4.641 5.307 -3.646 1.00 0.00 C ATOM 0 H MET A 78 -4.390 11.336 -2.790 1.00 0.00 H new ATOM 0 HA MET A 78 -6.839 9.789 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.070 9.403 -2.277 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.056 8.924 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.239 7.298 -2.187 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.670 7.956 -3.708 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.820 4.689 -4.010 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.317 4.696 -3.048 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.184 5.725 -4.494 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.878 10.238 -0.735 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.588 10.675 0.446 1.00 0.00 C ATOM 1258 C GLU A 79 -8.614 9.585 1.505 1.00 0.00 C ATOM 1259 O GLU A 79 -8.108 8.480 1.295 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.009 11.110 0.086 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.842 10.035 -0.597 1.00 0.00 C ATOM 1262 CD GLU A 79 -12.219 10.532 -0.969 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -13.123 10.499 -0.104 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.407 10.965 -2.128 1.00 0.00 O ATOM 0 H GLU A 79 -8.370 9.536 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.057 11.532 0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.521 11.426 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.955 11.980 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.326 9.693 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.935 9.174 0.065 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.193 9.895 2.654 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.298 8.937 3.743 1.00 0.00 C ATOM 1273 C ASP A 80 -10.176 7.767 3.346 1.00 0.00 C ATOM 1274 O ASP A 80 -11.211 7.948 2.703 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.888 9.588 4.994 1.00 0.00 C ATOM 1276 CG ASP A 80 -8.929 10.480 5.750 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -8.871 11.693 5.452 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -8.252 9.979 6.669 1.00 0.00 O ATOM 0 H ASP A 80 -9.600 10.808 2.857 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.290 8.584 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.760 10.175 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.240 8.804 5.664 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.748 6.565 3.719 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.503 5.330 3.499 1.00 0.00 C ATOM 1285 C GLU A 81 -10.588 4.951 2.017 1.00 0.00 C ATOM 1286 O GLU A 81 -11.440 4.157 1.610 1.00 0.00 O ATOM 1287 CB GLU A 81 -11.893 5.432 4.134 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.844 5.864 5.592 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.191 5.839 6.260 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.570 4.776 6.796 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -13.881 6.872 6.258 1.00 0.00 O ATOM 0 H GLU A 81 -8.855 6.416 4.189 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.958 4.523 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.494 6.144 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.392 4.466 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.163 5.209 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.434 6.872 5.653 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.688 5.504 1.216 1.00 0.00 N ATOM 1299 CA ASP A 82 -9.627 5.189 -0.211 1.00 0.00 C ATOM 1300 C ASP A 82 -9.045 3.776 -0.405 1.00 0.00 C ATOM 1301 O ASP A 82 -8.388 3.243 0.492 1.00 0.00 O ATOM 1302 CB ASP A 82 -8.786 6.239 -0.943 1.00 0.00 C ATOM 1303 CG ASP A 82 -8.873 6.114 -2.443 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -9.904 6.536 -3.022 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -7.925 5.617 -3.048 1.00 0.00 O ATOM 0 H ASP A 82 -8.986 6.175 1.528 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.632 5.208 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.117 7.234 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.745 6.144 -0.635 1.00 0.00 H new ATOM 1310 N THR A 83 -9.299 3.155 -1.551 1.00 0.00 N ATOM 1311 CA THR A 83 -8.863 1.778 -1.776 1.00 0.00 C ATOM 1312 C THR A 83 -7.994 1.627 -3.041 1.00 0.00 C ATOM 1313 O THR A 83 -8.213 2.288 -4.049 1.00 0.00 O ATOM 1314 CB THR A 83 -10.086 0.848 -1.879 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.037 1.206 -0.861 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.682 -0.609 -1.697 1.00 0.00 C ATOM 0 H THR A 83 -9.800 3.576 -2.333 1.00 0.00 H new ATOM 0 HA THR A 83 -8.247 1.498 -0.922 1.00 0.00 H new ATOM 0 HB THR A 83 -10.527 0.963 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.819 0.618 -0.923 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.565 -1.244 -1.774 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.966 -0.887 -2.470 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.226 -0.740 -0.716 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.009 0.729 -2.964 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.098 0.441 -4.070 1.00 0.00 C ATOM 1326 C ILE A 84 -6.382 -0.959 -4.642 1.00 0.00 C ATOM 1327 O ILE A 84 -6.679 -1.893 -3.895 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.600 0.496 -3.611 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.186 1.910 -3.187 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.669 -0.015 -4.700 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.643 2.307 -1.797 1.00 0.00 C ATOM 0 H ILE A 84 -6.821 0.179 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.264 1.203 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.513 -0.158 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.100 1.987 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.588 2.624 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.638 0.036 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.921 -1.048 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.781 0.601 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.307 3.321 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.731 2.266 -1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.220 1.620 -1.065 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.283 -1.102 -5.961 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.484 -2.393 -6.627 1.00 0.00 C ATOM 1345 C ASP A 85 -5.149 -3.097 -6.841 1.00 0.00 C ATOM 1346 O ASP A 85 -4.242 -2.553 -7.464 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.178 -2.219 -7.989 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.679 -2.059 -7.893 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.358 -3.014 -7.448 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.198 -0.992 -8.302 1.00 0.00 O ATOM 0 H ASP A 85 -6.063 -0.335 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.121 -2.996 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.760 -1.346 -8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.953 -3.083 -8.614 1.00 0.00 H new ATOM 1355 N VAL A 86 -5.011 -4.297 -6.318 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.788 -5.065 -6.500 1.00 0.00 C ATOM 1357 C VAL A 86 -4.008 -6.260 -7.418 1.00 0.00 C ATOM 1358 O VAL A 86 -4.992 -6.995 -7.283 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.211 -5.542 -5.146 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.174 -6.632 -5.344 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.602 -4.376 -4.408 1.00 0.00 C ATOM 0 H VAL A 86 -5.727 -4.765 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.066 -4.397 -6.969 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.028 -5.957 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.787 -6.946 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.633 -7.484 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.356 -6.249 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.198 -4.719 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.801 -3.944 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.367 -3.621 -4.226 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.064 -6.480 -8.328 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.152 -7.565 -9.301 1.00 0.00 C ATOM 1373 C PHE A 87 -1.828 -8.316 -9.345 1.00 0.00 C ATOM 1374 O PHE A 87 -0.785 -7.772 -8.962 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.480 -7.011 -10.694 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.716 -6.161 -10.732 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.642 -4.806 -10.465 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.947 -6.714 -11.027 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.769 -4.020 -10.489 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -7.084 -5.932 -11.055 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.996 -4.582 -10.785 1.00 0.00 C ATOM 0 H PHE A 87 -2.220 -5.914 -8.412 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.949 -8.245 -9.000 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.634 -6.422 -11.049 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.602 -7.844 -11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.686 -4.360 -10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.021 -7.771 -11.238 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.696 -2.964 -10.277 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.041 -6.376 -11.288 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.883 -3.967 -10.805 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.850 -9.559 -9.799 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.632 -10.350 -9.891 1.00 0.00 C ATOM 1393 C GLN A 88 -0.082 -10.349 -11.313 1.00 0.00 C ATOM 1394 O GLN A 88 -0.663 -10.927 -12.224 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.873 -11.795 -9.432 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.714 -12.033 -7.934 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.773 -11.349 -7.090 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.836 -11.908 -6.836 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.484 -10.145 -6.635 1.00 0.00 N ATOM 0 H GLN A 88 -2.694 -10.041 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 88 0.102 -9.890 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.880 -12.090 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.181 -12.449 -9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.745 -13.105 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.269 -11.681 -7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.590 -9.713 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.155 -9.646 -6.050 1.00 0.00 H new