USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 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 127 GLN :FLIP amide:sc= -1.77 F(o=-10,f=-8.3) USER MOD Set 1.2: A 129 HIS :FLIP no HE2:sc= -6.48! C(o=-10!,f=-8.3!) USER MOD Set 2.1: A 103 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.7!) USER MOD Set 2.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 125 THR OG1 : rot 46:sc= 0.409 USER MOD Set 4.1: A 29 HIS :FLIP no HE2:sc= -2.21! C(o=-6.1!,f=-3.2!) USER MOD Set 4.2: A 102 TYR OH : rot 127:sc= -0.955! USER MOD Set 5.1: A 19 ASN : amide:sc= -3.96! C(o=-8.4!,f=-18!) USER MOD Set 5.2: A 55 HIS : no HD1:sc= -4.23! C(o=-8.4!,f=-12!) USER MOD Set 5.3: A 119 MET CE :methyl 158:sc= -0.253 (180deg=-0.293) USER MOD Single : A 18 SER OG : rot -33:sc= 0.0241 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-6.5!) USER MOD Single : A 25 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot -81:sc= 0.00735 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.46) USER MOD Single : A 40 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.91 K(o=0.91,f=-0.91) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 100:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.026) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 171:sc= -0.0856 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 156:sc= 0.657 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -158:sc= -0.923 (180deg=-2.14!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 44:sc= 0.456 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 1.22 K(o=1.2,f=-0.049) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 165:sc= -1.87! (180deg=-2.27) USER MOD Single : A 118 SER OG : rot -1:sc= 0.97 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 4.294 3.324 -14.262 1.00 0.00 N ATOM 239 CA SER A 18 3.531 3.841 -13.139 1.00 0.00 C ATOM 240 C SER A 18 2.606 2.754 -12.589 1.00 0.00 C ATOM 241 O SER A 18 2.055 1.959 -13.350 1.00 0.00 O ATOM 242 CB SER A 18 2.719 5.073 -13.545 1.00 0.00 C ATOM 243 OG SER A 18 1.781 4.778 -14.577 1.00 0.00 O ATOM 0 HA SER A 18 4.232 4.141 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.190 5.462 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.396 5.858 -13.883 1.00 0.00 H new ATOM 0 HG SER A 18 2.148 4.085 -15.165 1.00 0.00 H new ATOM 249 N ASN A 19 2.464 2.753 -11.272 1.00 0.00 N ATOM 250 CA ASN A 19 1.616 1.775 -10.611 1.00 0.00 C ATOM 251 C ASN A 19 0.681 2.494 -9.636 1.00 0.00 C ATOM 252 O ASN A 19 0.458 2.022 -8.522 1.00 0.00 O ATOM 253 CB ASN A 19 2.450 0.771 -9.813 1.00 0.00 C ATOM 254 CG ASN A 19 3.005 1.410 -8.538 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.054 2.620 -8.390 1.00 0.00 O ATOM 256 ND2 ASN A 19 3.418 0.531 -7.629 1.00 0.00 N ATOM 0 H ASN A 19 2.922 3.414 -10.644 1.00 0.00 H new ATOM 0 HA ASN A 19 1.052 1.245 -11.378 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.837 -0.092 -9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.272 0.405 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.805 0.857 -6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.348 -0.469 -7.818 1.00 0.00 H new ATOM 263 N LYS A 20 0.160 3.625 -10.090 1.00 0.00 N ATOM 264 CA LYS A 20 -0.745 4.413 -9.271 1.00 0.00 C ATOM 265 C LYS A 20 -2.122 3.748 -9.256 1.00 0.00 C ATOM 266 O LYS A 20 -2.718 3.569 -8.195 1.00 0.00 O ATOM 267 CB LYS A 20 -0.769 5.867 -9.747 1.00 0.00 C ATOM 268 CG LYS A 20 -1.829 6.673 -8.994 1.00 0.00 C ATOM 269 CD LYS A 20 -2.502 7.691 -9.917 1.00 0.00 C ATOM 270 CE LYS A 20 -1.931 9.093 -9.696 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.264 9.975 -10.837 1.00 0.00 N ATOM 0 H LYS A 20 0.347 4.014 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.395 4.445 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.211 6.319 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.974 5.900 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.580 5.998 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.368 7.189 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.358 7.396 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.576 7.699 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.332 9.514 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.849 9.037 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.869 10.922 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.860 9.580 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.297 10.043 -10.933 1.00 0.00 H new ATOM 285 N PHE A 21 -2.589 3.400 -10.447 1.00 0.00 N ATOM 286 CA PHE A 21 -3.886 2.759 -10.584 1.00 0.00 C ATOM 287 C PHE A 21 -3.908 1.408 -9.866 1.00 0.00 C ATOM 288 O PHE A 21 -4.968 0.931 -9.465 1.00 0.00 O ATOM 289 CB PHE A 21 -4.116 2.532 -12.079 1.00 0.00 C ATOM 290 CG PHE A 21 -4.645 3.762 -12.821 1.00 0.00 C ATOM 291 CD1 PHE A 21 -3.880 4.883 -12.910 1.00 0.00 C ATOM 292 CD2 PHE A 21 -5.880 3.734 -13.390 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.371 6.024 -13.598 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.371 4.875 -14.078 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.606 5.996 -14.167 1.00 0.00 C ATOM 0 H PHE A 21 -2.092 3.550 -11.325 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.660 3.387 -10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.178 2.220 -12.537 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.822 1.711 -12.207 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.900 4.905 -12.458 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.487 2.844 -13.319 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.764 6.914 -13.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.351 4.853 -14.530 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.979 6.864 -14.690 1.00 0.00 H new ATOM 305 N ILE A 22 -2.724 0.828 -9.726 1.00 0.00 N ATOM 306 CA ILE A 22 -2.594 -0.458 -9.064 1.00 0.00 C ATOM 307 C ILE A 22 -2.781 -0.272 -7.557 1.00 0.00 C ATOM 308 O ILE A 22 -3.220 -1.189 -6.864 1.00 0.00 O ATOM 309 CB ILE A 22 -1.270 -1.124 -9.442 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.146 -1.277 -10.959 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.101 -2.460 -8.716 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.308 -1.522 -11.369 1.00 0.00 C ATOM 0 H ILE A 22 -1.846 1.226 -10.060 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.374 -1.140 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.457 -0.475 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.767 -2.107 -11.296 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.520 -0.379 -11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.152 -2.912 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.113 -2.293 -7.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.918 -3.128 -8.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.368 -1.627 -12.452 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.922 -0.679 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.671 -2.434 -10.895 1.00 0.00 H new ATOM 324 N ILE A 23 -2.439 0.921 -7.093 1.00 0.00 N ATOM 325 CA ILE A 23 -2.564 1.239 -5.681 1.00 0.00 C ATOM 326 C ILE A 23 -4.008 1.644 -5.379 1.00 0.00 C ATOM 327 O ILE A 23 -4.615 1.138 -4.437 1.00 0.00 O ATOM 328 CB ILE A 23 -1.532 2.293 -5.276 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.111 1.731 -5.361 1.00 0.00 C ATOM 330 CG2 ILE A 23 -1.842 2.859 -3.889 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.004 0.396 -4.620 1.00 0.00 C ATOM 0 H ILE A 23 -2.075 1.679 -7.670 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.345 0.362 -5.072 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.594 3.120 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.168 1.594 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.593 2.446 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.093 3.606 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.829 3.321 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.825 2.053 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.016 0.018 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.260 0.541 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.691 -0.323 -5.065 1.00 0.00 H new ATOM 343 N HIS A 24 -4.516 2.554 -6.197 1.00 0.00 N ATOM 344 CA HIS A 24 -5.878 3.034 -6.030 1.00 0.00 C ATOM 345 C HIS A 24 -6.803 1.855 -5.722 1.00 0.00 C ATOM 346 O HIS A 24 -7.825 2.020 -5.058 1.00 0.00 O ATOM 347 CB HIS A 24 -6.326 3.835 -7.254 1.00 0.00 C ATOM 348 CG HIS A 24 -6.748 5.251 -6.940 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.074 5.632 -6.834 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.006 6.372 -6.709 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.117 6.926 -6.554 1.00 0.00 C ATOM 352 NE2 HIS A 24 -6.834 7.383 -6.477 1.00 0.00 N ATOM 0 H HIS A 24 -4.009 2.972 -6.977 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.925 3.719 -5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.510 3.862 -7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.158 3.316 -7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.927 6.427 -6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.011 7.516 -6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.557 8.343 -6.274 1.00 0.00 H new ATOM 360 N ASN A 25 -6.411 0.691 -6.220 1.00 0.00 N ATOM 361 CA ASN A 25 -7.193 -0.515 -6.006 1.00 0.00 C ATOM 362 C ASN A 25 -6.727 -1.198 -4.719 1.00 0.00 C ATOM 363 O ASN A 25 -7.547 -1.650 -3.921 1.00 0.00 O ATOM 364 CB ASN A 25 -7.006 -1.503 -7.159 1.00 0.00 C ATOM 365 CG ASN A 25 -7.922 -1.155 -8.334 1.00 0.00 C ATOM 366 OD1 ASN A 25 -8.741 -0.252 -8.270 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.739 -1.918 -9.408 1.00 0.00 N ATOM 0 H ASN A 25 -5.563 0.558 -6.771 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.243 -0.230 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.967 -1.491 -7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.220 -2.515 -6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.302 -1.764 -10.245 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.036 -2.657 -9.395 1.00 0.00 H new ATOM 374 N ALA A 26 -5.413 -1.251 -4.556 1.00 0.00 N ATOM 375 CA ALA A 26 -4.829 -1.871 -3.379 1.00 0.00 C ATOM 376 C ALA A 26 -5.555 -1.368 -2.130 1.00 0.00 C ATOM 377 O ALA A 26 -5.677 -2.094 -1.144 1.00 0.00 O ATOM 378 CB ALA A 26 -3.328 -1.577 -3.339 1.00 0.00 C ATOM 0 H ALA A 26 -4.736 -0.875 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.948 -2.954 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.890 -2.042 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.854 -1.980 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.169 -0.499 -3.298 1.00 0.00 H new ATOM 384 N LEU A 27 -6.020 -0.130 -2.212 1.00 0.00 N ATOM 385 CA LEU A 27 -6.731 0.478 -1.100 1.00 0.00 C ATOM 386 C LEU A 27 -8.127 -0.138 -0.996 1.00 0.00 C ATOM 387 O LEU A 27 -8.541 -0.567 0.080 1.00 0.00 O ATOM 388 CB LEU A 27 -6.739 2.002 -1.239 1.00 0.00 C ATOM 389 CG LEU A 27 -5.389 2.656 -1.536 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.489 4.181 -1.460 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.298 2.106 -0.614 1.00 0.00 C ATOM 0 H LEU A 27 -5.918 0.469 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.220 0.270 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.433 2.271 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.132 2.429 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.105 2.403 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.515 4.621 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.216 4.535 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.807 4.475 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.348 2.588 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.563 2.308 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.205 1.030 -0.762 1.00 0.00 H new ATOM 403 N SER A 28 -8.815 -0.162 -2.128 1.00 0.00 N ATOM 404 CA SER A 28 -10.156 -0.718 -2.177 1.00 0.00 C ATOM 405 C SER A 28 -10.090 -2.247 -2.161 1.00 0.00 C ATOM 406 O SER A 28 -11.121 -2.917 -2.191 1.00 0.00 O ATOM 407 CB SER A 28 -10.909 -0.233 -3.418 1.00 0.00 C ATOM 408 OG SER A 28 -11.720 0.905 -3.139 1.00 0.00 O ATOM 0 H SER A 28 -8.469 0.195 -3.019 1.00 0.00 H new ATOM 0 HA SER A 28 -10.700 -0.375 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.194 0.015 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.535 -1.039 -3.801 1.00 0.00 H new ATOM 0 HG SER A 28 -12.183 1.185 -3.956 1.00 0.00 H new ATOM 414 N HIS A 29 -8.867 -2.754 -2.112 1.00 0.00 N ATOM 415 CA HIS A 29 -8.652 -4.190 -2.092 1.00 0.00 C ATOM 416 C HIS A 29 -8.784 -4.708 -0.658 1.00 0.00 C ATOM 417 O HIS A 29 -9.483 -5.690 -0.411 1.00 0.00 O ATOM 418 CB HIS A 29 -7.308 -4.549 -2.730 1.00 0.00 C ATOM 419 CG HIS A 29 -7.422 -5.106 -4.129 1.00 0.00 C ATOM 420 ND1 HIS A 29 -8.130 -4.666 -5.208 1.00 0.00 N flip ATOM 421 CD2 HIS A 29 -6.757 -6.250 -4.536 1.00 0.00 C flip ATOM 422 CE1 HIS A 29 -7.908 -5.495 -6.221 1.00 0.00 C flip ATOM 423 NE2 HIS A 29 -7.058 -6.478 -5.806 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.014 -2.195 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.416 -4.683 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.680 -3.659 -2.754 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.801 -5.279 -2.099 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -8.728 -3.840 -5.233 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.104 -6.854 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.331 -5.406 -7.211 1.00 0.00 H new ATOM 431 N CYS A 30 -8.102 -4.025 0.249 1.00 0.00 N ATOM 432 CA CYS A 30 -8.134 -4.404 1.652 1.00 0.00 C ATOM 433 C CYS A 30 -7.285 -3.404 2.439 1.00 0.00 C ATOM 434 O CYS A 30 -7.649 -3.013 3.547 1.00 0.00 O ATOM 435 CB CYS A 30 -7.660 -5.844 1.860 1.00 0.00 C ATOM 436 SG CYS A 30 -8.776 -6.708 3.024 1.00 0.00 S ATOM 0 H CYS A 30 -7.524 -3.211 0.040 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.161 -4.373 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.639 -6.370 0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.642 -5.848 2.249 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.366 -7.930 3.192 1.00 0.00 H new ATOM 442 N CYS A 31 -6.171 -3.018 1.835 1.00 0.00 N ATOM 443 CA CYS A 31 -5.267 -2.071 2.466 1.00 0.00 C ATOM 444 C CYS A 31 -6.106 -0.998 3.164 1.00 0.00 C ATOM 445 O CYS A 31 -5.827 -0.630 4.304 1.00 0.00 O ATOM 446 CB CYS A 31 -4.289 -1.464 1.458 1.00 0.00 C ATOM 447 SG CYS A 31 -3.084 -2.730 0.916 1.00 0.00 S ATOM 0 H CYS A 31 -5.874 -3.344 0.915 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.652 -2.587 3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.834 -1.077 0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.765 -0.621 1.909 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.147 -2.848 1.810 1.00 0.00 H new ATOM 453 N LEU A 32 -7.118 -0.527 2.450 1.00 0.00 N ATOM 454 CA LEU A 32 -8.000 0.496 2.986 1.00 0.00 C ATOM 455 C LEU A 32 -9.424 0.252 2.482 1.00 0.00 C ATOM 456 O LEU A 32 -10.089 1.177 2.018 1.00 0.00 O ATOM 457 CB LEU A 32 -7.463 1.891 2.660 1.00 0.00 C ATOM 458 CG LEU A 32 -6.274 2.365 3.499 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.569 3.547 2.831 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.709 2.691 4.930 1.00 0.00 C ATOM 0 H LEU A 32 -7.347 -0.835 1.505 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.033 0.438 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.172 1.910 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.275 2.608 2.779 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.551 1.551 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.728 3.865 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.206 3.246 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.271 4.374 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.846 3.025 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.460 3.480 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.131 1.800 5.394 1.00 0.00 H new ATOM 472 N ALA A 33 -9.849 -0.998 2.589 1.00 0.00 N ATOM 473 CA ALA A 33 -11.182 -1.376 2.150 1.00 0.00 C ATOM 474 C ALA A 33 -12.056 -1.661 3.372 1.00 0.00 C ATOM 475 O ALA A 33 -11.681 -2.453 4.236 1.00 0.00 O ATOM 476 CB ALA A 33 -11.087 -2.577 1.207 1.00 0.00 C ATOM 0 H ALA A 33 -9.294 -1.763 2.973 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.649 -0.562 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.086 -2.861 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.481 -2.312 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.626 -3.415 1.730 1.00 0.00 H new ATOM 482 N GLY A 34 -13.204 -1.001 3.407 1.00 0.00 N ATOM 483 CA GLY A 34 -14.134 -1.175 4.509 1.00 0.00 C ATOM 484 C GLY A 34 -14.887 0.125 4.801 1.00 0.00 C ATOM 485 O GLY A 34 -14.497 1.192 4.328 1.00 0.00 O ATOM 0 H GLY A 34 -13.511 -0.344 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.845 -1.965 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.593 -1.494 5.400 1.00 0.00 H new ATOM 489 N LYS A 35 -15.953 -0.007 5.577 1.00 0.00 N ATOM 490 CA LYS A 35 -16.764 1.143 5.937 1.00 0.00 C ATOM 491 C LYS A 35 -15.996 2.012 6.935 1.00 0.00 C ATOM 492 O LYS A 35 -16.086 3.238 6.895 1.00 0.00 O ATOM 493 CB LYS A 35 -18.137 0.694 6.442 1.00 0.00 C ATOM 494 CG LYS A 35 -19.160 1.825 6.327 1.00 0.00 C ATOM 495 CD LYS A 35 -20.454 1.330 5.678 1.00 0.00 C ATOM 496 CE LYS A 35 -21.570 2.368 5.818 1.00 0.00 C ATOM 497 NZ LYS A 35 -22.648 2.105 4.839 1.00 0.00 N ATOM 0 H LYS A 35 -16.274 -0.894 5.966 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.959 1.760 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.476 -0.168 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.059 0.373 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.376 2.227 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.741 2.640 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.278 1.120 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.763 0.394 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.975 2.341 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.166 3.368 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.397 2.818 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.261 2.153 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.045 1.158 5.006 1.00 0.00 H new ATOM 511 N VAL A 36 -15.257 1.342 7.807 1.00 0.00 N ATOM 512 CA VAL A 36 -14.473 2.037 8.814 1.00 0.00 C ATOM 513 C VAL A 36 -13.386 2.866 8.126 1.00 0.00 C ATOM 514 O VAL A 36 -12.912 3.857 8.680 1.00 0.00 O ATOM 515 CB VAL A 36 -13.910 1.034 9.824 1.00 0.00 C ATOM 516 CG1 VAL A 36 -15.030 0.417 10.665 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.090 -0.049 9.122 1.00 0.00 C ATOM 0 H VAL A 36 -15.185 0.325 7.837 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.101 2.727 9.377 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.244 1.573 10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.604 -0.292 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.553 1.204 11.208 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.732 -0.101 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.702 -0.748 9.862 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.724 -0.584 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -12.259 0.412 8.588 1.00 0.00 H new ATOM 527 N ASN A 37 -13.023 2.429 6.929 1.00 0.00 N ATOM 528 CA ASN A 37 -12.002 3.119 6.159 1.00 0.00 C ATOM 529 C ASN A 37 -12.631 3.706 4.895 1.00 0.00 C ATOM 530 O ASN A 37 -11.974 3.810 3.860 1.00 0.00 O ATOM 531 CB ASN A 37 -10.892 2.157 5.732 1.00 0.00 C ATOM 532 CG ASN A 37 -9.798 2.073 6.798 1.00 0.00 C ATOM 533 OD1 ASN A 37 -9.331 3.069 7.325 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.416 0.831 7.085 1.00 0.00 N ATOM 0 H ASN A 37 -13.418 1.606 6.474 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.579 3.903 6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.312 1.166 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.460 2.490 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.691 0.669 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.848 0.041 6.606 1.00 0.00 H new ATOM 541 N GLU A 38 -13.897 4.075 5.019 1.00 0.00 N ATOM 542 CA GLU A 38 -14.623 4.650 3.899 1.00 0.00 C ATOM 543 C GLU A 38 -14.257 6.126 3.730 1.00 0.00 C ATOM 544 O GLU A 38 -14.078 6.600 2.610 1.00 0.00 O ATOM 545 CB GLU A 38 -16.133 4.476 4.076 1.00 0.00 C ATOM 546 CG GLU A 38 -16.899 5.127 2.924 1.00 0.00 C ATOM 547 CD GLU A 38 -18.245 5.677 3.401 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.686 5.234 4.484 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.802 6.526 2.673 1.00 0.00 O ATOM 0 H GLU A 38 -14.439 3.987 5.878 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.333 4.118 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.377 3.415 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.445 4.919 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.303 5.934 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.061 4.396 2.132 1.00 0.00 H new ATOM 556 N PRO A 39 -14.155 6.828 4.890 1.00 0.00 N ATOM 557 CA PRO A 39 -13.814 8.241 4.882 1.00 0.00 C ATOM 558 C PRO A 39 -12.326 8.444 4.587 1.00 0.00 C ATOM 559 O PRO A 39 -11.957 9.337 3.826 1.00 0.00 O ATOM 560 CB PRO A 39 -14.222 8.752 6.253 1.00 0.00 C ATOM 561 CG PRO A 39 -14.345 7.522 7.138 1.00 0.00 C ATOM 562 CD PRO A 39 -14.360 6.299 6.235 1.00 0.00 C ATOM 0 HA PRO A 39 -14.329 8.794 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.479 9.445 6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.167 9.293 6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.511 7.470 7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.257 7.569 7.733 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.573 5.596 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.306 5.763 6.310 1.00 0.00 H new ATOM 570 N GLN A 40 -11.513 7.600 5.205 1.00 0.00 N ATOM 571 CA GLN A 40 -10.074 7.676 5.018 1.00 0.00 C ATOM 572 C GLN A 40 -9.700 7.255 3.595 1.00 0.00 C ATOM 573 O GLN A 40 -9.057 8.012 2.869 1.00 0.00 O ATOM 574 CB GLN A 40 -9.341 6.820 6.053 1.00 0.00 C ATOM 575 CG GLN A 40 -7.977 6.370 5.525 1.00 0.00 C ATOM 576 CD GLN A 40 -6.946 6.305 6.654 1.00 0.00 C ATOM 577 OE1 GLN A 40 -7.238 6.559 7.811 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.727 5.953 6.254 1.00 0.00 N ATOM 0 H GLN A 40 -11.823 6.860 5.835 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.763 8.710 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.209 7.389 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.945 5.947 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.070 5.391 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.635 7.061 4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.551 5.754 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.968 5.882 6.932 1.00 0.00 H new ATOM 587 N LYS A 41 -10.120 6.050 3.239 1.00 0.00 N ATOM 588 CA LYS A 41 -9.837 5.519 1.916 1.00 0.00 C ATOM 589 C LYS A 41 -9.933 6.648 0.888 1.00 0.00 C ATOM 590 O LYS A 41 -9.009 6.858 0.104 1.00 0.00 O ATOM 591 CB LYS A 41 -10.749 4.330 1.610 1.00 0.00 C ATOM 592 CG LYS A 41 -10.610 3.893 0.150 1.00 0.00 C ATOM 593 CD LYS A 41 -11.722 2.918 -0.239 1.00 0.00 C ATOM 594 CE LYS A 41 -13.095 3.467 0.153 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.165 2.782 -0.607 1.00 0.00 N ATOM 0 H LYS A 41 -10.654 5.426 3.844 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.820 5.131 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.500 3.497 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.785 4.599 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.645 4.767 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.639 3.422 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.692 2.737 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.557 1.958 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.256 3.330 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.133 4.539 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.090 3.167 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.019 2.934 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.138 1.763 -0.402 1.00 0.00 H new ATOM 609 N ASN A 42 -11.059 7.345 0.924 1.00 0.00 N ATOM 610 CA ASN A 42 -11.287 8.447 0.006 1.00 0.00 C ATOM 611 C ASN A 42 -10.146 9.458 0.135 1.00 0.00 C ATOM 612 O ASN A 42 -9.577 9.889 -0.867 1.00 0.00 O ATOM 613 CB ASN A 42 -12.597 9.170 0.326 1.00 0.00 C ATOM 614 CG ASN A 42 -13.778 8.503 -0.382 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.042 8.729 -1.551 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.472 7.671 0.390 1.00 0.00 N ATOM 0 H ASN A 42 -11.824 7.167 1.575 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.338 8.039 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.765 9.166 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.526 10.213 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.280 7.177 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.197 7.527 1.362 1.00 0.00 H new ATOM 623 N ARG A 43 -9.845 9.807 1.377 1.00 0.00 N ATOM 624 CA ARG A 43 -8.782 10.759 1.650 1.00 0.00 C ATOM 625 C ARG A 43 -7.483 10.313 0.975 1.00 0.00 C ATOM 626 O ARG A 43 -6.712 11.143 0.495 1.00 0.00 O ATOM 627 CB ARG A 43 -8.544 10.902 3.155 1.00 0.00 C ATOM 628 CG ARG A 43 -9.744 11.557 3.841 1.00 0.00 C ATOM 629 CD ARG A 43 -9.322 12.814 4.603 1.00 0.00 C ATOM 630 NE ARG A 43 -10.511 13.480 5.180 1.00 0.00 N ATOM 631 CZ ARG A 43 -10.456 14.543 5.993 1.00 0.00 C ATOM 632 NH1 ARG A 43 -9.270 15.068 6.331 1.00 0.00 N ATOM 633 NH2 ARG A 43 -11.587 15.082 6.469 1.00 0.00 N ATOM 0 H ARG A 43 -10.319 9.447 2.206 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.091 11.724 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.362 9.920 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.650 11.500 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.497 11.815 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.205 10.848 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.622 12.551 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.802 13.498 3.933 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.430 13.106 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.409 14.658 5.969 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.228 15.878 6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.490 14.683 6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.545 15.892 7.088 1.00 0.00 H new ATOM 647 N ILE A 44 -7.281 9.004 0.960 1.00 0.00 N ATOM 648 CA ILE A 44 -6.090 8.437 0.352 1.00 0.00 C ATOM 649 C ILE A 44 -6.226 8.488 -1.171 1.00 0.00 C ATOM 650 O ILE A 44 -5.289 8.873 -1.870 1.00 0.00 O ATOM 651 CB ILE A 44 -5.824 7.033 0.899 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.151 6.956 2.392 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.390 6.591 0.602 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.529 8.130 3.150 1.00 0.00 C ATOM 0 H ILE A 44 -7.923 8.319 1.360 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.212 9.027 0.614 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.487 6.335 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.232 6.960 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.780 6.016 2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.228 5.590 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.228 6.582 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.691 7.285 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.776 8.052 4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.446 8.109 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.921 9.067 2.754 1.00 0.00 H new ATOM 666 N LEU A 45 -7.401 8.095 -1.642 1.00 0.00 N ATOM 667 CA LEU A 45 -7.672 8.091 -3.069 1.00 0.00 C ATOM 668 C LEU A 45 -7.440 9.495 -3.632 1.00 0.00 C ATOM 669 O LEU A 45 -6.977 9.646 -4.761 1.00 0.00 O ATOM 670 CB LEU A 45 -9.072 7.541 -3.347 1.00 0.00 C ATOM 671 CG LEU A 45 -9.322 6.094 -2.917 1.00 0.00 C ATOM 672 CD1 LEU A 45 -10.819 5.782 -2.886 1.00 0.00 C ATOM 673 CD2 LEU A 45 -8.551 5.117 -3.806 1.00 0.00 C ATOM 0 H LEU A 45 -8.176 7.777 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.983 7.422 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.798 8.179 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.266 7.620 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.946 5.970 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.969 4.747 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.315 6.447 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.242 5.929 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.746 4.096 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.873 5.235 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.483 5.324 -3.733 1.00 0.00 H new ATOM 685 N GLU A 46 -7.772 10.486 -2.818 1.00 0.00 N ATOM 686 CA GLU A 46 -7.605 11.872 -3.221 1.00 0.00 C ATOM 687 C GLU A 46 -6.122 12.248 -3.228 1.00 0.00 C ATOM 688 O GLU A 46 -5.581 12.633 -4.263 1.00 0.00 O ATOM 689 CB GLU A 46 -8.404 12.807 -2.310 1.00 0.00 C ATOM 690 CG GLU A 46 -9.846 12.321 -2.154 1.00 0.00 C ATOM 691 CD GLU A 46 -10.837 13.378 -2.646 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.476 14.092 -3.606 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.933 13.449 -2.049 1.00 0.00 O ATOM 0 H GLU A 46 -8.156 10.357 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.993 11.985 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.927 12.862 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.399 13.815 -2.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.985 11.397 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.045 12.090 -1.107 1.00 0.00 H new ATOM 700 N GLU A 47 -5.507 12.124 -2.061 1.00 0.00 N ATOM 701 CA GLU A 47 -4.098 12.447 -1.920 1.00 0.00 C ATOM 702 C GLU A 47 -3.323 11.993 -3.159 1.00 0.00 C ATOM 703 O GLU A 47 -2.534 12.755 -3.715 1.00 0.00 O ATOM 704 CB GLU A 47 -3.516 11.821 -0.650 1.00 0.00 C ATOM 705 CG GLU A 47 -3.921 12.620 0.590 1.00 0.00 C ATOM 706 CD GLU A 47 -3.358 14.042 0.534 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.120 14.157 0.406 1.00 0.00 O ATOM 708 OE2 GLU A 47 -4.178 14.981 0.621 1.00 0.00 O ATOM 0 H GLU A 47 -5.959 11.804 -1.204 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.001 13.529 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.865 10.793 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.429 11.783 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.008 12.658 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.558 12.116 1.486 1.00 0.00 H new ATOM 715 N ILE A 48 -3.575 10.754 -3.554 1.00 0.00 N ATOM 716 CA ILE A 48 -2.911 10.190 -4.717 1.00 0.00 C ATOM 717 C ILE A 48 -3.261 11.022 -5.953 1.00 0.00 C ATOM 718 O ILE A 48 -2.373 11.472 -6.674 1.00 0.00 O ATOM 719 CB ILE A 48 -3.249 8.705 -4.859 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.963 7.950 -3.560 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.519 8.088 -6.054 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.966 6.813 -3.353 1.00 0.00 C ATOM 0 H ILE A 48 -4.230 10.125 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.829 10.237 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.318 8.616 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.951 7.546 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.010 8.639 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.777 7.032 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.817 8.603 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.443 8.189 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.739 6.293 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.975 7.222 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.899 6.113 -4.186 1.00 0.00 H new ATOM 734 N GLU A 49 -4.558 11.199 -6.158 1.00 0.00 N ATOM 735 CA GLU A 49 -5.037 11.969 -7.294 1.00 0.00 C ATOM 736 C GLU A 49 -4.487 13.396 -7.238 1.00 0.00 C ATOM 737 O GLU A 49 -4.192 13.992 -8.273 1.00 0.00 O ATOM 738 CB GLU A 49 -6.566 11.973 -7.349 1.00 0.00 C ATOM 739 CG GLU A 49 -7.105 10.589 -7.718 1.00 0.00 C ATOM 740 CD GLU A 49 -7.455 10.517 -9.206 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.488 11.117 -9.575 1.00 0.00 O ATOM 742 OE2 GLU A 49 -6.683 9.864 -9.940 1.00 0.00 O ATOM 0 H GLU A 49 -5.292 10.823 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.675 11.496 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.967 12.278 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.905 12.706 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.361 9.829 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.990 10.368 -7.121 1.00 0.00 H new ATOM 749 N LYS A 50 -4.365 13.902 -6.020 1.00 0.00 N ATOM 750 CA LYS A 50 -3.856 15.247 -5.816 1.00 0.00 C ATOM 751 C LYS A 50 -2.343 15.255 -6.044 1.00 0.00 C ATOM 752 O LYS A 50 -1.790 16.242 -6.527 1.00 0.00 O ATOM 753 CB LYS A 50 -4.273 15.775 -4.442 1.00 0.00 C ATOM 754 CG LYS A 50 -3.062 15.917 -3.518 1.00 0.00 C ATOM 755 CD LYS A 50 -3.495 16.308 -2.103 1.00 0.00 C ATOM 756 CE LYS A 50 -4.378 17.557 -2.125 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.930 18.526 -1.100 1.00 0.00 N ATOM 0 H LYS A 50 -4.610 13.404 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.292 15.933 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.765 16.741 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.000 15.098 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.511 14.977 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.383 16.671 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.039 15.482 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.615 16.492 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.341 18.019 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.416 17.279 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.540 19.368 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.988 18.088 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.946 18.804 -1.292 1.00 0.00 H new ATOM 771 N SER A 51 -1.717 14.144 -5.686 1.00 0.00 N ATOM 772 CA SER A 51 -0.279 14.010 -5.846 1.00 0.00 C ATOM 773 C SER A 51 0.064 13.771 -7.317 1.00 0.00 C ATOM 774 O SER A 51 -0.653 13.058 -8.018 1.00 0.00 O ATOM 775 CB SER A 51 0.268 12.873 -4.981 1.00 0.00 C ATOM 776 OG SER A 51 1.686 12.935 -4.852 1.00 0.00 O ATOM 0 H SER A 51 -2.179 13.328 -5.285 1.00 0.00 H new ATOM 0 HA SER A 51 0.190 14.938 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.188 12.918 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.015 11.916 -5.419 1.00 0.00 H new ATOM 0 HG SER A 51 1.919 13.340 -3.990 1.00 0.00 H new ATOM 782 N LYS A 52 1.161 14.380 -7.743 1.00 0.00 N ATOM 783 CA LYS A 52 1.608 14.242 -9.119 1.00 0.00 C ATOM 784 C LYS A 52 2.603 13.083 -9.213 1.00 0.00 C ATOM 785 O LYS A 52 3.455 13.063 -10.100 1.00 0.00 O ATOM 786 CB LYS A 52 2.160 15.571 -9.639 1.00 0.00 C ATOM 787 CG LYS A 52 1.077 16.367 -10.368 1.00 0.00 C ATOM 788 CD LYS A 52 1.392 16.481 -11.861 1.00 0.00 C ATOM 789 CE LYS A 52 1.794 17.911 -12.229 1.00 0.00 C ATOM 790 NZ LYS A 52 3.186 18.183 -11.807 1.00 0.00 N ATOM 0 H LYS A 52 1.754 14.970 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 52 0.769 13.996 -9.770 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.549 16.158 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.995 15.383 -10.314 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.111 15.882 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.997 17.363 -9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.198 15.795 -12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.521 16.183 -12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.699 18.056 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.118 18.620 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.443 19.157 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.266 18.064 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.829 17.519 -12.283 1.00 0.00 H new ATOM 804 N ALA A 53 2.461 12.147 -8.287 1.00 0.00 N ATOM 805 CA ALA A 53 3.337 10.987 -8.255 1.00 0.00 C ATOM 806 C ALA A 53 2.750 9.886 -9.140 1.00 0.00 C ATOM 807 O ALA A 53 1.540 9.837 -9.357 1.00 0.00 O ATOM 808 CB ALA A 53 3.528 10.532 -6.807 1.00 0.00 C ATOM 0 H ALA A 53 1.753 12.167 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 53 4.321 11.238 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.185 9.662 -6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.974 11.340 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.561 10.269 -6.378 1.00 0.00 H new ATOM 814 N ASN A 54 3.635 9.029 -9.628 1.00 0.00 N ATOM 815 CA ASN A 54 3.220 7.932 -10.485 1.00 0.00 C ATOM 816 C ASN A 54 3.401 6.610 -9.737 1.00 0.00 C ATOM 817 O ASN A 54 2.679 5.646 -9.989 1.00 0.00 O ATOM 818 CB ASN A 54 4.068 7.875 -11.757 1.00 0.00 C ATOM 819 CG ASN A 54 3.741 9.045 -12.687 1.00 0.00 C ATOM 820 OD1 ASN A 54 2.609 9.252 -13.091 1.00 0.00 O ATOM 821 ND2 ASN A 54 4.793 9.795 -13.003 1.00 0.00 N ATOM 0 H ASN A 54 4.638 9.072 -9.446 1.00 0.00 H new ATOM 0 HA ASN A 54 2.176 8.091 -10.755 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.126 7.899 -11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.890 6.933 -12.275 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.679 10.600 -13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.714 9.565 -12.629 1.00 0.00 H new ATOM 828 N HIS A 55 4.369 6.606 -8.832 1.00 0.00 N ATOM 829 CA HIS A 55 4.654 5.418 -8.045 1.00 0.00 C ATOM 830 C HIS A 55 4.275 5.668 -6.584 1.00 0.00 C ATOM 831 O HIS A 55 4.818 6.566 -5.943 1.00 0.00 O ATOM 832 CB HIS A 55 6.113 4.991 -8.215 1.00 0.00 C ATOM 833 CG HIS A 55 6.422 3.624 -7.653 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.632 2.984 -7.861 1.00 0.00 N ATOM 835 CD2 HIS A 55 5.668 2.783 -6.889 1.00 0.00 C ATOM 836 CE1 HIS A 55 7.596 1.812 -7.245 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.377 1.689 -6.644 1.00 0.00 N ATOM 0 H HIS A 55 4.966 7.407 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 55 4.049 4.585 -8.404 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.363 5.001 -9.276 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.755 5.726 -7.729 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.663 2.975 -6.542 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.392 1.082 -7.222 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.063 0.888 -6.097 1.00 0.00 H new ATOM 845 N PHE A 56 3.347 4.856 -6.100 1.00 0.00 N ATOM 846 CA PHE A 56 2.890 4.977 -4.726 1.00 0.00 C ATOM 847 C PHE A 56 3.057 3.655 -3.974 1.00 0.00 C ATOM 848 O PHE A 56 2.752 2.590 -4.507 1.00 0.00 O ATOM 849 CB PHE A 56 1.403 5.334 -4.779 1.00 0.00 C ATOM 850 CG PHE A 56 1.113 6.695 -5.415 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.932 6.793 -6.759 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.036 7.807 -4.636 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.662 8.056 -7.350 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.766 9.070 -5.226 1.00 0.00 C ATOM 855 CZ PHE A 56 0.585 9.168 -6.571 1.00 0.00 C ATOM 0 H PHE A 56 2.899 4.112 -6.635 1.00 0.00 H new ATOM 0 HA PHE A 56 3.473 5.737 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.874 4.563 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.001 5.325 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.994 5.910 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.180 7.729 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.518 8.133 -8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.704 9.953 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.380 10.129 -7.020 1.00 0.00 H new ATOM 865 N LEU A 57 3.543 3.767 -2.746 1.00 0.00 N ATOM 866 CA LEU A 57 3.755 2.594 -1.915 1.00 0.00 C ATOM 867 C LEU A 57 2.831 2.663 -0.697 1.00 0.00 C ATOM 868 O LEU A 57 2.417 3.747 -0.289 1.00 0.00 O ATOM 869 CB LEU A 57 5.235 2.452 -1.556 1.00 0.00 C ATOM 870 CG LEU A 57 6.124 1.805 -2.620 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.711 2.860 -3.560 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.212 0.943 -1.976 1.00 0.00 C ATOM 0 H LEU A 57 3.796 4.652 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 57 3.495 1.688 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.631 3.443 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.312 1.865 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 57 5.505 1.143 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.339 2.373 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.902 3.394 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.311 3.566 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.830 0.495 -2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.834 1.564 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.748 0.155 -1.382 1.00 0.00 H new ATOM 884 N ILE A 58 2.535 1.493 -0.152 1.00 0.00 N ATOM 885 CA ILE A 58 1.668 1.407 1.011 1.00 0.00 C ATOM 886 C ILE A 58 2.499 1.013 2.234 1.00 0.00 C ATOM 887 O ILE A 58 3.149 -0.031 2.237 1.00 0.00 O ATOM 888 CB ILE A 58 0.494 0.464 0.736 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.392 1.006 -0.388 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.302 0.192 2.013 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.680 -0.077 -1.429 1.00 0.00 C ATOM 0 H ILE A 58 2.880 0.596 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 58 1.223 2.379 1.227 1.00 0.00 H new ATOM 0 HB ILE A 58 0.895 -0.492 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.330 1.374 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.099 1.854 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.130 -0.481 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.349 -0.268 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.693 1.131 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.311 0.334 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.258 -0.425 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.192 -0.913 -0.952 1.00 0.00 H new ATOM 903 N LEU A 59 2.451 1.870 3.243 1.00 0.00 N ATOM 904 CA LEU A 59 3.191 1.624 4.469 1.00 0.00 C ATOM 905 C LEU A 59 2.320 0.817 5.433 1.00 0.00 C ATOM 906 O LEU A 59 1.238 1.259 5.817 1.00 0.00 O ATOM 907 CB LEU A 59 3.703 2.940 5.058 1.00 0.00 C ATOM 908 CG LEU A 59 4.611 2.818 6.284 1.00 0.00 C ATOM 909 CD1 LEU A 59 6.031 2.420 5.877 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.590 4.105 7.112 1.00 0.00 C ATOM 0 H LEU A 59 1.911 2.735 3.237 1.00 0.00 H new ATOM 0 HA LEU A 59 4.079 1.025 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.246 3.476 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.843 3.554 5.327 1.00 0.00 H new ATOM 0 HG LEU A 59 4.223 2.021 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.656 2.340 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.006 1.459 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.444 3.177 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.243 3.992 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.939 4.937 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.573 4.304 7.449 1.00 0.00 H new ATOM 922 N PHE A 60 2.823 -0.354 5.796 1.00 0.00 N ATOM 923 CA PHE A 60 2.104 -1.227 6.708 1.00 0.00 C ATOM 924 C PHE A 60 2.703 -1.165 8.114 1.00 0.00 C ATOM 925 O PHE A 60 3.716 -0.502 8.332 1.00 0.00 O ATOM 926 CB PHE A 60 2.246 -2.652 6.168 1.00 0.00 C ATOM 927 CG PHE A 60 1.684 -2.843 4.758 1.00 0.00 C ATOM 928 CD1 PHE A 60 2.367 -2.366 3.683 1.00 0.00 C ATOM 929 CD2 PHE A 60 0.501 -3.489 4.580 1.00 0.00 C ATOM 930 CE1 PHE A 60 1.845 -2.542 2.375 1.00 0.00 C ATOM 931 CE2 PHE A 60 -0.022 -3.666 3.271 1.00 0.00 C ATOM 932 CZ PHE A 60 0.661 -3.189 2.196 1.00 0.00 C ATOM 0 H PHE A 60 3.720 -0.718 5.475 1.00 0.00 H new ATOM 0 HA PHE A 60 1.061 -0.918 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.301 -2.926 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.739 -3.339 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.307 -1.853 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.041 -3.868 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.387 -2.162 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.962 -4.179 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.264 -3.324 1.201 1.00 0.00 H new ATOM 942 N ARG A 61 2.052 -1.865 9.032 1.00 0.00 N ATOM 943 CA ARG A 61 2.508 -1.897 10.411 1.00 0.00 C ATOM 944 C ARG A 61 3.699 -2.847 10.554 1.00 0.00 C ATOM 945 O ARG A 61 4.664 -2.538 11.252 1.00 0.00 O ATOM 946 CB ARG A 61 1.389 -2.349 11.351 1.00 0.00 C ATOM 947 CG ARG A 61 1.237 -1.382 12.527 1.00 0.00 C ATOM 948 CD ARG A 61 2.558 -1.227 13.283 1.00 0.00 C ATOM 949 NE ARG A 61 2.298 -1.099 14.735 1.00 0.00 N ATOM 950 CZ ARG A 61 1.774 -2.071 15.493 1.00 0.00 C ATOM 951 NH1 ARG A 61 1.451 -3.249 14.943 1.00 0.00 N ATOM 952 NH2 ARG A 61 1.573 -1.866 16.802 1.00 0.00 N ATOM 0 H ARG A 61 1.213 -2.414 8.847 1.00 0.00 H new ATOM 0 HA ARG A 61 2.810 -0.886 10.684 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.450 -2.409 10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.605 -3.350 11.724 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.906 -0.410 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.466 -1.747 13.206 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.198 -2.089 13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.092 -0.348 12.922 1.00 0.00 H new ATOM 0 HE ARG A 61 2.533 -0.215 15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.604 -3.406 13.947 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.052 -3.989 15.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.819 -0.969 17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.174 -2.607 17.379 1.00 0.00 H new ATOM 1011 N GLN A 66 -2.052 -4.482 7.245 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.971 -3.438 6.824 1.00 0.00 C ATOM 1013 C GLN A 66 -2.196 -2.182 6.421 1.00 0.00 C ATOM 1014 O GLN A 66 -0.968 -2.160 6.478 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.988 -3.127 7.923 1.00 0.00 C ATOM 1016 CG GLN A 66 -4.447 -4.407 8.624 1.00 0.00 C ATOM 1017 CD GLN A 66 -5.892 -4.277 9.112 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -6.843 -4.527 8.390 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -6.002 -3.873 10.375 1.00 0.00 N ATOM 0 HA GLN A 66 -3.524 -3.795 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.545 -2.448 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.849 -2.615 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.365 -5.251 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.792 -4.618 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.164 -3.681 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.924 -3.756 10.794 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.947 -1.165 6.023 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.347 0.093 5.611 1.00 0.00 C ATOM 1030 C PHE A 67 -2.152 1.025 6.808 1.00 0.00 C ATOM 1031 O PHE A 67 -3.020 1.118 7.675 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.314 0.747 4.622 1.00 0.00 C ATOM 1033 CG PHE A 67 -2.923 2.170 4.219 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.103 3.198 5.091 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.395 2.407 2.988 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.740 4.518 4.717 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.032 3.728 2.614 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.213 4.756 3.486 1.00 0.00 C ATOM 0 H PHE A 67 -3.966 -1.187 5.977 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.370 -0.089 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.373 0.130 3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.311 0.766 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.522 3.010 6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.252 1.591 2.295 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.882 5.334 5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.612 3.916 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.938 5.761 3.201 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.008 1.693 6.817 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.688 2.615 7.894 1.00 0.00 C ATOM 1050 C ARG A 68 -0.571 4.042 7.353 1.00 0.00 C ATOM 1051 O ARG A 68 -1.048 4.987 7.979 1.00 0.00 O ATOM 1052 CB ARG A 68 0.624 2.228 8.579 1.00 0.00 C ATOM 1053 CG ARG A 68 0.373 1.737 10.006 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.001 2.900 10.928 1.00 0.00 C ATOM 1055 NE ARG A 68 1.168 3.785 11.126 1.00 0.00 N ATOM 1056 CZ ARG A 68 1.263 4.698 12.102 1.00 0.00 C ATOM 1057 NH1 ARG A 68 0.259 4.851 12.976 1.00 0.00 N ATOM 1058 NH2 ARG A 68 2.362 5.458 12.205 1.00 0.00 N ATOM 0 H ARG A 68 -0.291 1.614 6.096 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.495 2.564 8.625 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.122 1.447 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.295 3.087 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.428 0.997 10.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.266 1.240 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.827 3.466 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.345 2.517 11.889 1.00 0.00 H new ATOM 0 HE ARG A 68 1.951 3.694 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.577 4.272 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.331 5.546 13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.127 5.342 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.434 6.153 12.948 1.00 0.00 H new ATOM 1072 N ALA A 69 0.065 4.152 6.196 1.00 0.00 N ATOM 1073 CA ALA A 69 0.251 5.447 5.565 1.00 0.00 C ATOM 1074 C ALA A 69 0.717 5.244 4.122 1.00 0.00 C ATOM 1075 O ALA A 69 1.346 4.236 3.805 1.00 0.00 O ATOM 1076 CB ALA A 69 1.239 6.279 6.385 1.00 0.00 C ATOM 0 H ALA A 69 0.458 3.365 5.679 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.690 5.997 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.378 7.251 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.848 6.420 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.196 5.760 6.437 1.00 0.00 H new ATOM 1082 N LEU A 70 0.389 6.218 3.285 1.00 0.00 N ATOM 1083 CA LEU A 70 0.766 6.159 1.883 1.00 0.00 C ATOM 1084 C LEU A 70 2.000 7.034 1.654 1.00 0.00 C ATOM 1085 O LEU A 70 2.206 8.019 2.361 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.422 6.525 0.992 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.228 6.307 -0.510 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.239 4.816 -0.852 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -1.267 7.088 -1.316 1.00 0.00 C ATOM 0 H LEU A 70 -0.134 7.052 3.551 1.00 0.00 H new ATOM 0 HA LEU A 70 1.040 5.141 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.285 5.943 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.665 7.574 1.158 1.00 0.00 H new ATOM 0 HG LEU A 70 0.752 6.694 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.099 4.688 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.568 4.314 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.194 4.382 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.107 6.916 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.267 6.754 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.169 8.152 -1.102 1.00 0.00 H new ATOM 1101 N TYR A 71 2.788 6.643 0.663 1.00 0.00 N ATOM 1102 CA TYR A 71 3.995 7.380 0.331 1.00 0.00 C ATOM 1103 C TYR A 71 4.273 7.330 -1.172 1.00 0.00 C ATOM 1104 O TYR A 71 3.812 6.422 -1.862 1.00 0.00 O ATOM 1105 CB TYR A 71 5.135 6.678 1.073 1.00 0.00 C ATOM 1106 CG TYR A 71 5.260 7.079 2.544 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.344 6.617 3.466 1.00 0.00 C ATOM 1108 CD2 TYR A 71 6.291 7.904 2.948 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.462 6.995 4.850 1.00 0.00 C ATOM 1110 CE2 TYR A 71 6.409 8.281 4.333 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.489 7.808 5.216 1.00 0.00 C ATOM 1112 OH TYR A 71 5.601 8.165 6.523 1.00 0.00 O ATOM 0 H TYR A 71 2.614 5.825 0.079 1.00 0.00 H new ATOM 0 HA TYR A 71 3.895 8.428 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.985 5.600 1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.075 6.898 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.538 5.972 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.008 8.266 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.751 6.641 5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.210 8.925 4.663 1.00 0.00 H new ATOM 0 HH TYR A 71 6.455 8.625 6.665 1.00 0.00 H new ATOM 1122 N THR A 72 5.027 8.316 -1.636 1.00 0.00 N ATOM 1123 CA THR A 72 5.372 8.395 -3.045 1.00 0.00 C ATOM 1124 C THR A 72 6.869 8.148 -3.242 1.00 0.00 C ATOM 1125 O THR A 72 7.686 8.589 -2.435 1.00 0.00 O ATOM 1126 CB THR A 72 4.906 9.754 -3.570 1.00 0.00 C ATOM 1127 OG1 THR A 72 5.299 10.673 -2.554 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.381 9.875 -3.612 1.00 0.00 C ATOM 0 H THR A 72 5.409 9.067 -1.061 1.00 0.00 H new ATOM 0 HA THR A 72 4.868 7.618 -3.620 1.00 0.00 H new ATOM 0 HB THR A 72 5.310 9.914 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.036 11.581 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.104 10.858 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.973 9.105 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.978 9.748 -2.607 1.00 0.00 H new ATOM 1136 N LEU A 73 7.183 7.444 -4.320 1.00 0.00 N ATOM 1137 CA LEU A 73 8.567 7.133 -4.633 1.00 0.00 C ATOM 1138 C LEU A 73 9.171 8.279 -5.447 1.00 0.00 C ATOM 1139 O LEU A 73 8.571 8.740 -6.417 1.00 0.00 O ATOM 1140 CB LEU A 73 8.668 5.770 -5.321 1.00 0.00 C ATOM 1141 CG LEU A 73 10.077 5.316 -5.708 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.085 5.660 -4.610 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.097 3.827 -6.058 1.00 0.00 C ATOM 0 H LEU A 73 6.503 7.080 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 73 9.154 7.047 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.234 5.019 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.055 5.794 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 73 10.377 5.861 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.078 5.326 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.097 6.738 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.799 5.161 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.110 3.531 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.767 3.246 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.428 3.642 -6.898 1.00 0.00 H new ATOM 1155 N SER A 74 10.352 8.706 -5.023 1.00 0.00 N ATOM 1156 CA SER A 74 11.044 9.789 -5.701 1.00 0.00 C ATOM 1157 C SER A 74 11.737 9.261 -6.959 1.00 0.00 C ATOM 1158 O SER A 74 12.668 8.463 -6.870 1.00 0.00 O ATOM 1159 CB SER A 74 12.061 10.457 -4.775 1.00 0.00 C ATOM 1160 OG SER A 74 11.454 10.957 -3.587 1.00 0.00 O ATOM 0 H SER A 74 10.847 8.321 -4.218 1.00 0.00 H new ATOM 0 HA SER A 74 10.307 10.539 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.837 9.739 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.550 11.275 -5.304 1.00 0.00 H new ATOM 0 HG SER A 74 12.137 11.374 -3.021 1.00 0.00 H new ATOM 1166 N GLY A 75 11.255 9.729 -8.101 1.00 0.00 N ATOM 1167 CA GLY A 75 11.817 9.314 -9.376 1.00 0.00 C ATOM 1168 C GLY A 75 13.279 9.749 -9.498 1.00 0.00 C ATOM 1169 O GLY A 75 14.018 9.226 -10.330 1.00 0.00 O ATOM 0 H GLY A 75 10.482 10.391 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.747 8.231 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.236 9.745 -10.191 1.00 0.00 H new ATOM 1173 N GLU A 76 13.651 10.703 -8.657 1.00 0.00 N ATOM 1174 CA GLU A 76 15.011 11.215 -8.661 1.00 0.00 C ATOM 1175 C GLU A 76 15.945 10.245 -7.935 1.00 0.00 C ATOM 1176 O GLU A 76 17.123 10.140 -8.273 1.00 0.00 O ATOM 1177 CB GLU A 76 15.074 12.609 -8.035 1.00 0.00 C ATOM 1178 CG GLU A 76 14.590 12.581 -6.584 1.00 0.00 C ATOM 1179 CD GLU A 76 13.332 13.435 -6.409 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.245 12.919 -6.745 1.00 0.00 O ATOM 1181 OE2 GLU A 76 13.488 14.585 -5.943 1.00 0.00 O ATOM 0 H GLU A 76 13.035 11.135 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 76 15.343 11.302 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.097 12.983 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.460 13.299 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.381 11.554 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.378 12.949 -5.927 1.00 0.00 H new ATOM 1188 N THR A 77 15.384 9.559 -6.949 1.00 0.00 N ATOM 1189 CA THR A 77 16.152 8.601 -6.172 1.00 0.00 C ATOM 1190 C THR A 77 15.311 7.358 -5.876 1.00 0.00 C ATOM 1191 O THR A 77 14.501 6.941 -6.703 1.00 0.00 O ATOM 1192 CB THR A 77 16.654 9.309 -4.912 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.480 9.493 -4.126 1.00 0.00 O ATOM 1194 CG2 THR A 77 17.140 10.732 -5.194 1.00 0.00 C ATOM 0 H THR A 77 14.407 9.648 -6.671 1.00 0.00 H new ATOM 0 HA THR A 77 17.018 8.244 -6.729 1.00 0.00 H new ATOM 0 HB THR A 77 17.464 8.730 -4.469 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.728 9.570 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.485 11.189 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.961 10.701 -5.911 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.321 11.321 -5.606 1.00 0.00 H new ATOM 1202 N GLU A 78 15.533 6.800 -4.695 1.00 0.00 N ATOM 1203 CA GLU A 78 14.805 5.613 -4.280 1.00 0.00 C ATOM 1204 C GLU A 78 14.103 5.861 -2.943 1.00 0.00 C ATOM 1205 O GLU A 78 13.510 4.948 -2.371 1.00 0.00 O ATOM 1206 CB GLU A 78 15.736 4.402 -4.194 1.00 0.00 C ATOM 1207 CG GLU A 78 16.414 4.135 -5.540 1.00 0.00 C ATOM 1208 CD GLU A 78 17.338 2.918 -5.456 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.343 3.017 -4.720 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.018 1.915 -6.131 1.00 0.00 O ATOM 0 H GLU A 78 16.207 7.148 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 78 14.046 5.394 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.493 4.574 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.168 3.523 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.657 3.969 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.987 5.011 -5.843 1.00 0.00 H new ATOM 1217 N GLU A 79 14.194 7.100 -2.484 1.00 0.00 N ATOM 1218 CA GLU A 79 13.575 7.479 -1.226 1.00 0.00 C ATOM 1219 C GLU A 79 12.062 7.622 -1.401 1.00 0.00 C ATOM 1220 O GLU A 79 11.574 7.774 -2.519 1.00 0.00 O ATOM 1221 CB GLU A 79 14.188 8.770 -0.680 1.00 0.00 C ATOM 1222 CG GLU A 79 15.597 8.521 -0.137 1.00 0.00 C ATOM 1223 CD GLU A 79 16.585 8.259 -1.275 1.00 0.00 C ATOM 1224 OE1 GLU A 79 17.056 9.258 -1.860 1.00 0.00 O ATOM 1225 OE2 GLU A 79 16.848 7.064 -1.534 1.00 0.00 O ATOM 0 H GLU A 79 14.687 7.855 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 79 13.764 6.690 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.226 9.521 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.555 9.171 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.925 9.384 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.584 7.668 0.541 1.00 0.00 H new ATOM 1232 N LEU A 80 11.361 7.569 -0.277 1.00 0.00 N ATOM 1233 CA LEU A 80 9.913 7.690 -0.292 1.00 0.00 C ATOM 1234 C LEU A 80 9.495 8.860 0.601 1.00 0.00 C ATOM 1235 O LEU A 80 9.981 8.995 1.722 1.00 0.00 O ATOM 1236 CB LEU A 80 9.260 6.361 0.090 1.00 0.00 C ATOM 1237 CG LEU A 80 9.335 5.250 -0.960 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.847 3.947 -0.344 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.986 5.063 -1.657 1.00 0.00 C ATOM 0 H LEU A 80 11.769 7.444 0.649 1.00 0.00 H new ATOM 0 HA LEU A 80 9.560 7.914 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.727 6.000 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.211 6.547 0.319 1.00 0.00 H new ATOM 0 HG LEU A 80 10.053 5.549 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.891 3.174 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.844 4.106 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.172 3.631 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.067 4.268 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.229 4.796 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.700 5.992 -2.151 1.00 0.00 H new ATOM 1251 N SER A 81 8.597 9.677 0.069 1.00 0.00 N ATOM 1252 CA SER A 81 8.107 10.831 0.804 1.00 0.00 C ATOM 1253 C SER A 81 6.736 10.523 1.409 1.00 0.00 C ATOM 1254 O SER A 81 5.961 9.755 0.841 1.00 0.00 O ATOM 1255 CB SER A 81 8.024 12.064 -0.098 1.00 0.00 C ATOM 1256 OG SER A 81 7.829 13.261 0.650 1.00 0.00 O ATOM 0 H SER A 81 8.196 9.563 -0.862 1.00 0.00 H new ATOM 0 HA SER A 81 8.811 11.048 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.940 12.147 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.204 11.941 -0.805 1.00 0.00 H new ATOM 0 HG SER A 81 7.783 14.025 0.038 1.00 0.00 H new ATOM 1262 N ARG A 82 6.479 11.138 2.554 1.00 0.00 N ATOM 1263 CA ARG A 82 5.215 10.939 3.243 1.00 0.00 C ATOM 1264 C ARG A 82 4.100 11.718 2.541 1.00 0.00 C ATOM 1265 O ARG A 82 4.068 12.946 2.593 1.00 0.00 O ATOM 1266 CB ARG A 82 5.305 11.393 4.701 1.00 0.00 C ATOM 1267 CG ARG A 82 4.046 10.999 5.477 1.00 0.00 C ATOM 1268 CD ARG A 82 3.925 11.805 6.771 1.00 0.00 C ATOM 1269 NE ARG A 82 2.541 12.304 6.929 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.985 13.237 6.144 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.692 13.778 5.142 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.722 13.630 6.361 1.00 0.00 N ATOM 0 H ARG A 82 7.124 11.774 3.022 1.00 0.00 H new ATOM 0 HA ARG A 82 4.989 9.873 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.181 10.946 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.438 12.474 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.165 11.166 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.076 9.934 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.195 11.182 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.623 12.642 6.754 1.00 0.00 H new ATOM 0 HE ARG A 82 1.975 11.914 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.653 13.480 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.269 14.488 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.184 13.219 7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.299 14.340 5.763 1.00 0.00 H new ATOM 1286 N LEU A 83 3.213 10.971 1.901 1.00 0.00 N ATOM 1287 CA LEU A 83 2.099 11.576 1.190 1.00 0.00 C ATOM 1288 C LEU A 83 1.014 11.971 2.193 1.00 0.00 C ATOM 1289 O LEU A 83 0.660 13.145 2.299 1.00 0.00 O ATOM 1290 CB LEU A 83 1.602 10.645 0.082 1.00 0.00 C ATOM 1291 CG LEU A 83 0.516 11.213 -0.834 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.933 12.571 -1.403 1.00 0.00 C ATOM 1293 CD2 LEU A 83 0.153 10.217 -1.937 1.00 0.00 C ATOM 0 H LEU A 83 3.243 9.952 1.860 1.00 0.00 H new ATOM 0 HA LEU A 83 2.418 12.490 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.455 10.357 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.220 9.734 0.544 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.382 11.376 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.143 12.952 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.102 13.272 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.851 12.458 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.621 10.645 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.037 10.000 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.216 9.295 -1.488 1.00 0.00 H new ATOM 1305 N ALA A 84 0.516 10.970 2.903 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.522 11.199 3.894 1.00 0.00 C ATOM 1307 C ALA A 84 -0.458 10.101 4.957 1.00 0.00 C ATOM 1308 O ALA A 84 0.320 9.156 4.832 1.00 0.00 O ATOM 1309 CB ALA A 84 -1.885 11.260 3.201 1.00 0.00 C ATOM 0 H ALA A 84 0.812 9.998 2.812 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.368 12.154 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.664 11.432 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.889 12.074 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.075 10.317 2.688 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.286 10.261 5.979 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.332 9.295 7.063 1.00 0.00 C ATOM 1317 C GLY A 85 -0.575 9.810 8.289 1.00 0.00 C ATOM 1318 O GLY A 85 -0.849 10.905 8.778 1.00 0.00 O ATOM 0 H GLY A 85 -1.930 11.045 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.369 9.092 7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.898 8.351 6.733 1.00 0.00 H new ATOM 1322 N TYR A 86 0.361 8.995 8.752 1.00 0.00 N ATOM 1323 CA TYR A 86 1.160 9.354 9.912 1.00 0.00 C ATOM 1324 C TYR A 86 2.394 8.457 10.027 1.00 0.00 C ATOM 1325 O TYR A 86 2.274 7.262 10.292 1.00 0.00 O ATOM 1326 CB TYR A 86 0.262 9.125 11.129 1.00 0.00 C ATOM 1327 CG TYR A 86 0.949 9.395 12.469 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.625 10.581 12.670 1.00 0.00 C ATOM 1329 CD2 TYR A 86 0.893 8.453 13.476 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.272 10.836 13.932 1.00 0.00 C ATOM 1331 CE2 TYR A 86 1.540 8.708 14.737 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.197 9.887 14.903 1.00 0.00 C ATOM 1333 OH TYR A 86 2.808 10.127 16.094 1.00 0.00 O ATOM 0 H TYR A 86 0.584 8.087 8.345 1.00 0.00 H new ATOM 0 HA TYR A 86 1.506 10.385 9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.615 9.767 11.046 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.094 8.095 11.116 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.669 11.318 11.882 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.364 7.525 13.318 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.804 11.760 14.103 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.504 7.979 15.533 1.00 0.00 H new ATOM 0 HH TYR A 86 2.671 9.363 16.692 1.00 0.00 H new ATOM 1343 N GLY A 87 3.551 9.068 9.822 1.00 0.00 N ATOM 1344 CA GLY A 87 4.806 8.340 9.899 1.00 0.00 C ATOM 1345 C GLY A 87 5.997 9.274 9.678 1.00 0.00 C ATOM 1346 O GLY A 87 5.904 10.475 9.931 1.00 0.00 O ATOM 0 H GLY A 87 3.646 10.060 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.892 7.859 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.817 7.548 9.151 1.00 0.00 H new ATOM 1350 N PRO A 88 7.118 8.673 9.197 1.00 0.00 N ATOM 1351 CA PRO A 88 8.326 9.439 8.939 1.00 0.00 C ATOM 1352 C PRO A 88 8.184 10.274 7.665 1.00 0.00 C ATOM 1353 O PRO A 88 7.847 9.746 6.606 1.00 0.00 O ATOM 1354 CB PRO A 88 9.436 8.404 8.851 1.00 0.00 C ATOM 1355 CG PRO A 88 8.746 7.073 8.599 1.00 0.00 C ATOM 1356 CD PRO A 88 7.264 7.254 8.886 1.00 0.00 C ATOM 0 HA PRO A 88 8.539 10.166 9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.130 8.643 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.017 8.375 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.899 6.753 7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.167 6.298 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.657 6.973 8.026 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.943 6.631 9.720 1.00 0.00 H new ATOM 1364 N ARG A 89 8.449 11.564 7.809 1.00 0.00 N ATOM 1365 CA ARG A 89 8.355 12.478 6.683 1.00 0.00 C ATOM 1366 C ARG A 89 8.825 11.788 5.400 1.00 0.00 C ATOM 1367 O ARG A 89 8.143 11.840 4.378 1.00 0.00 O ATOM 1368 CB ARG A 89 9.200 13.731 6.918 1.00 0.00 C ATOM 1369 CG ARG A 89 9.035 14.728 5.770 1.00 0.00 C ATOM 1370 CD ARG A 89 8.853 16.151 6.301 1.00 0.00 C ATOM 1371 NE ARG A 89 7.658 16.772 5.686 1.00 0.00 N ATOM 1372 CZ ARG A 89 7.594 17.179 4.411 1.00 0.00 C ATOM 1373 NH1 ARG A 89 8.657 17.035 3.608 1.00 0.00 N ATOM 1374 NH2 ARG A 89 6.468 17.731 3.939 1.00 0.00 N ATOM 0 H ARG A 89 8.729 11.998 8.688 1.00 0.00 H new ATOM 0 HA ARG A 89 7.310 12.772 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.907 14.201 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.250 13.453 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.909 14.688 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.174 14.450 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.746 16.132 7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.738 16.747 6.078 1.00 0.00 H new ATOM 0 HE ARG A 89 6.831 16.898 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.515 16.616 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.609 17.345 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.659 17.842 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.420 18.041 2.968 1.00 0.00 H new ATOM 1388 N THR A 90 9.987 11.159 5.495 1.00 0.00 N ATOM 1389 CA THR A 90 10.555 10.460 4.355 1.00 0.00 C ATOM 1390 C THR A 90 11.003 9.054 4.760 1.00 0.00 C ATOM 1391 O THR A 90 11.116 8.753 5.947 1.00 0.00 O ATOM 1392 CB THR A 90 11.688 11.320 3.791 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.018 12.407 3.159 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.435 10.628 2.649 1.00 0.00 C ATOM 0 H THR A 90 10.551 11.119 6.344 1.00 0.00 H new ATOM 0 HA THR A 90 9.813 10.316 3.569 1.00 0.00 H new ATOM 0 HB THR A 90 12.390 11.564 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.679 13.015 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.228 11.281 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.869 9.696 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.740 10.414 1.837 1.00 0.00 H new ATOM 1402 N VAL A 91 11.246 8.232 3.751 1.00 0.00 N ATOM 1403 CA VAL A 91 11.679 6.865 3.987 1.00 0.00 C ATOM 1404 C VAL A 91 12.781 6.504 2.988 1.00 0.00 C ATOM 1405 O VAL A 91 12.638 6.740 1.789 1.00 0.00 O ATOM 1406 CB VAL A 91 10.479 5.917 3.922 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.932 4.456 3.963 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.485 6.215 5.046 1.00 0.00 C ATOM 0 H VAL A 91 11.151 8.486 2.768 1.00 0.00 H new ATOM 0 HA VAL A 91 12.101 6.765 4.987 1.00 0.00 H new ATOM 0 HB VAL A 91 9.971 6.083 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.060 3.803 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.584 4.253 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.475 4.269 4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.642 5.528 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.978 6.090 6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.126 7.240 4.952 1.00 0.00 H new ATOM 1418 N THR A 92 13.854 5.937 3.519 1.00 0.00 N ATOM 1419 CA THR A 92 14.979 5.541 2.689 1.00 0.00 C ATOM 1420 C THR A 92 14.935 4.037 2.413 1.00 0.00 C ATOM 1421 O THR A 92 14.230 3.297 3.098 1.00 0.00 O ATOM 1422 CB THR A 92 16.264 5.993 3.387 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.307 5.208 4.576 1.00 0.00 O ATOM 1424 CG2 THR A 92 16.178 7.433 3.896 1.00 0.00 C ATOM 0 H THR A 92 13.968 5.742 4.514 1.00 0.00 H new ATOM 0 HA THR A 92 14.937 6.021 1.711 1.00 0.00 H new ATOM 0 HB THR A 92 17.103 5.901 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.110 5.435 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.115 7.703 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.998 8.105 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.360 7.518 4.611 1.00 0.00 H new ATOM 1432 N PRO A 93 15.716 3.619 1.381 1.00 0.00 N ATOM 1433 CA PRO A 93 15.772 2.216 1.006 1.00 0.00 C ATOM 1434 C PRO A 93 16.605 1.413 2.007 1.00 0.00 C ATOM 1435 O PRO A 93 16.647 0.186 1.942 1.00 0.00 O ATOM 1436 CB PRO A 93 16.359 2.208 -0.396 1.00 0.00 C ATOM 1437 CG PRO A 93 17.038 3.556 -0.572 1.00 0.00 C ATOM 1438 CD PRO A 93 16.563 4.467 0.548 1.00 0.00 C ATOM 0 HA PRO A 93 14.792 1.738 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.073 1.393 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.580 2.062 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.122 3.445 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.790 3.984 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.403 4.868 1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.007 5.319 0.157 1.00 0.00 H new ATOM 1446 N ALA A 94 17.247 2.139 2.911 1.00 0.00 N ATOM 1447 CA ALA A 94 18.076 1.510 3.925 1.00 0.00 C ATOM 1448 C ALA A 94 17.199 1.086 5.104 1.00 0.00 C ATOM 1449 O ALA A 94 17.521 0.132 5.810 1.00 0.00 O ATOM 1450 CB ALA A 94 19.190 2.473 4.343 1.00 0.00 C ATOM 0 H ALA A 94 17.210 3.157 2.962 1.00 0.00 H new ATOM 0 HA ALA A 94 18.552 0.613 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.812 2.001 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.802 2.720 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.750 3.384 4.748 1.00 0.00 H new ATOM 1456 N MET A 95 16.107 1.816 5.281 1.00 0.00 N ATOM 1457 CA MET A 95 15.181 1.528 6.363 1.00 0.00 C ATOM 1458 C MET A 95 14.148 0.483 5.936 1.00 0.00 C ATOM 1459 O MET A 95 13.542 -0.176 6.779 1.00 0.00 O ATOM 1460 CB MET A 95 14.464 2.814 6.778 1.00 0.00 C ATOM 1461 CG MET A 95 15.351 3.666 7.688 1.00 0.00 C ATOM 1462 SD MET A 95 14.340 4.602 8.823 1.00 0.00 S ATOM 1463 CE MET A 95 12.985 5.036 7.746 1.00 0.00 C ATOM 0 H MET A 95 15.843 2.606 4.693 1.00 0.00 H new ATOM 0 HA MET A 95 15.748 1.130 7.205 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.192 3.386 5.891 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.537 2.567 7.295 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.038 3.027 8.242 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.959 4.342 7.087 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.473 5.913 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.368 5.258 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.285 4.203 7.688 1.00 0.00 H new ATOM 1473 N VAL A 96 13.980 0.364 4.627 1.00 0.00 N ATOM 1474 CA VAL A 96 13.031 -0.590 4.079 1.00 0.00 C ATOM 1475 C VAL A 96 13.480 -2.010 4.430 1.00 0.00 C ATOM 1476 O VAL A 96 14.545 -2.452 3.999 1.00 0.00 O ATOM 1477 CB VAL A 96 12.876 -0.367 2.573 1.00 0.00 C ATOM 1478 CG1 VAL A 96 12.207 -1.571 1.906 1.00 0.00 C ATOM 1479 CG2 VAL A 96 12.100 0.920 2.286 1.00 0.00 C ATOM 0 H VAL A 96 14.485 0.912 3.930 1.00 0.00 H new ATOM 0 HA VAL A 96 12.045 -0.443 4.519 1.00 0.00 H new ATOM 0 HB VAL A 96 13.873 -0.259 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.109 -1.386 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.816 -2.461 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.219 -1.725 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.004 1.054 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.108 0.854 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.634 1.770 2.712 1.00 0.00 H new ATOM 1489 N GLU A 97 12.647 -2.685 5.208 1.00 0.00 N ATOM 1490 CA GLU A 97 12.946 -4.045 5.622 1.00 0.00 C ATOM 1491 C GLU A 97 12.668 -5.021 4.477 1.00 0.00 C ATOM 1492 O GLU A 97 13.537 -5.807 4.102 1.00 0.00 O ATOM 1493 CB GLU A 97 12.150 -4.426 6.872 1.00 0.00 C ATOM 1494 CG GLU A 97 12.578 -5.797 7.398 1.00 0.00 C ATOM 1495 CD GLU A 97 11.529 -6.369 8.354 1.00 0.00 C ATOM 1496 OE1 GLU A 97 10.508 -6.875 7.839 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.771 -6.288 9.577 1.00 0.00 O ATOM 0 H GLU A 97 11.765 -2.315 5.563 1.00 0.00 H new ATOM 0 HA GLU A 97 14.005 -4.102 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.299 -3.673 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.085 -4.438 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.725 -6.481 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.535 -5.711 7.912 1.00 0.00 H new ATOM 1504 N GLY A 98 11.454 -4.939 3.953 1.00 0.00 N ATOM 1505 CA GLY A 98 11.051 -5.805 2.858 1.00 0.00 C ATOM 1506 C GLY A 98 10.178 -5.050 1.854 1.00 0.00 C ATOM 1507 O GLY A 98 9.641 -3.989 2.168 1.00 0.00 O ATOM 0 H GLY A 98 10.736 -4.286 4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.935 -6.196 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.503 -6.662 3.250 1.00 0.00 H new ATOM 1511 N ILE A 99 10.064 -5.627 0.667 1.00 0.00 N ATOM 1512 CA ILE A 99 9.265 -5.021 -0.386 1.00 0.00 C ATOM 1513 C ILE A 99 8.301 -6.065 -0.953 1.00 0.00 C ATOM 1514 O ILE A 99 8.575 -7.263 -0.898 1.00 0.00 O ATOM 1515 CB ILE A 99 10.168 -4.379 -1.441 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.473 -5.163 -1.597 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.420 -2.904 -1.123 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.237 -4.713 -2.843 1.00 0.00 C ATOM 0 H ILE A 99 10.511 -6.507 0.411 1.00 0.00 H new ATOM 0 HA ILE A 99 8.657 -4.210 0.015 1.00 0.00 H new ATOM 0 HB ILE A 99 9.653 -4.418 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.095 -5.020 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.255 -6.229 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.065 -2.472 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.471 -2.369 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.905 -2.819 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.160 -5.286 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.622 -4.880 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.474 -3.652 -2.761 1.00 0.00 H new ATOM 1530 N TYR A 100 7.193 -5.572 -1.486 1.00 0.00 N ATOM 1531 CA TYR A 100 6.187 -6.448 -2.063 1.00 0.00 C ATOM 1532 C TYR A 100 5.519 -5.792 -3.274 1.00 0.00 C ATOM 1533 O TYR A 100 5.618 -4.581 -3.462 1.00 0.00 O ATOM 1534 CB TYR A 100 5.137 -6.661 -0.971 1.00 0.00 C ATOM 1535 CG TYR A 100 5.723 -7.036 0.392 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.400 -6.090 1.135 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.576 -8.319 0.877 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.952 -6.442 2.418 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.128 -8.671 2.160 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.789 -7.716 2.867 1.00 0.00 C ATOM 1541 OH TYR A 100 7.311 -8.048 4.078 1.00 0.00 O ATOM 0 H TYR A 100 6.970 -4.578 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 100 6.638 -7.382 -2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.549 -5.749 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.452 -7.447 -1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.516 -5.086 0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.047 -9.059 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.483 -5.711 3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.019 -9.672 2.552 1.00 0.00 H new ATOM 0 HH TYR A 100 7.117 -8.989 4.271 1.00 0.00 H new ATOM 1551 N LYS A 101 4.854 -6.622 -4.064 1.00 0.00 N ATOM 1552 CA LYS A 101 4.171 -6.139 -5.252 1.00 0.00 C ATOM 1553 C LYS A 101 2.687 -6.502 -5.164 1.00 0.00 C ATOM 1554 O LYS A 101 2.237 -7.051 -4.160 1.00 0.00 O ATOM 1555 CB LYS A 101 4.858 -6.661 -6.515 1.00 0.00 C ATOM 1556 CG LYS A 101 4.502 -8.127 -6.768 1.00 0.00 C ATOM 1557 CD LYS A 101 5.741 -9.018 -6.666 1.00 0.00 C ATOM 1558 CE LYS A 101 6.068 -9.658 -8.017 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.511 -9.523 -8.319 1.00 0.00 N ATOM 0 H LYS A 101 4.774 -7.626 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 101 4.231 -5.052 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.558 -6.057 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.938 -6.558 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.755 -8.453 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.055 -8.231 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.591 -8.428 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.573 -9.796 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.790 -10.712 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.480 -9.184 -8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.716 -9.963 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.766 -8.515 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.067 -9.996 -7.578 1.00 0.00 H new ATOM 1573 N TYR A 102 1.969 -6.180 -6.230 1.00 0.00 N ATOM 1574 CA TYR A 102 0.545 -6.466 -6.286 1.00 0.00 C ATOM 1575 C TYR A 102 0.187 -7.219 -7.569 1.00 0.00 C ATOM 1576 O TYR A 102 0.308 -6.677 -8.666 1.00 0.00 O ATOM 1577 CB TYR A 102 -0.157 -5.106 -6.295 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.639 -5.174 -6.671 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -2.014 -5.177 -7.999 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.600 -5.231 -5.682 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.408 -5.241 -8.353 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.995 -5.295 -6.037 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.330 -5.296 -7.355 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.647 -5.356 -7.689 1.00 0.00 O ATOM 0 H TYR A 102 2.346 -5.724 -7.061 1.00 0.00 H new ATOM 0 HA TYR A 102 0.244 -7.087 -5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.063 -4.654 -5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.356 -4.448 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.262 -5.131 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.307 -5.228 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.715 -5.245 -9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.757 -5.341 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.063 -6.122 -7.242 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.246 -8.458 -7.388 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.622 -9.292 -8.517 1.00 0.00 C ATOM 1596 C ASN A 103 -1.835 -8.677 -9.217 1.00 0.00 C ATOM 1597 O ASN A 103 -2.965 -8.827 -8.755 1.00 0.00 O ATOM 1598 CB ASN A 103 -1.004 -10.701 -8.058 1.00 0.00 C ATOM 1599 CG ASN A 103 0.051 -11.722 -8.487 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.250 -12.787 -9.001 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.302 -11.340 -8.247 1.00 0.00 N ATOM 0 H ASN A 103 -0.345 -8.905 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 103 0.232 -9.352 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.111 -10.717 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.972 -10.974 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.079 -11.952 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.485 -10.435 -7.814 1.00 0.00 H new ATOM 1608 N SER A 104 -1.560 -7.998 -10.321 1.00 0.00 N ATOM 1609 CA SER A 104 -2.615 -7.360 -11.090 1.00 0.00 C ATOM 1610 C SER A 104 -3.289 -8.384 -12.005 1.00 0.00 C ATOM 1611 O SER A 104 -4.145 -8.031 -12.814 1.00 0.00 O ATOM 1612 CB SER A 104 -2.068 -6.192 -11.913 1.00 0.00 C ATOM 1613 OG SER A 104 -2.501 -4.932 -11.406 1.00 0.00 O ATOM 0 H SER A 104 -0.622 -7.876 -10.701 1.00 0.00 H new ATOM 0 HA SER A 104 -3.353 -6.964 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.979 -6.228 -11.913 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.391 -6.296 -12.949 1.00 0.00 H new ATOM 0 HG SER A 104 -2.426 -4.929 -10.429 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.877 -9.634 -11.846 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.430 -10.712 -12.647 1.00 0.00 C ATOM 1621 C ASP A 105 -4.238 -11.648 -11.747 1.00 0.00 C ATOM 1622 O ASP A 105 -5.276 -12.166 -12.156 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.320 -11.532 -13.308 1.00 0.00 C ATOM 1624 CG ASP A 105 -2.011 -11.152 -14.757 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -1.649 -9.975 -14.971 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -2.143 -12.048 -15.619 1.00 0.00 O ATOM 0 H ASP A 105 -2.166 -9.923 -11.174 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.060 -10.270 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.410 -11.425 -12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.599 -12.585 -13.276 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.731 -11.838 -10.538 1.00 0.00 N ATOM 1632 CA ARG A 106 -4.393 -12.703 -9.576 1.00 0.00 C ATOM 1633 C ARG A 106 -5.095 -11.867 -8.505 1.00 0.00 C ATOM 1634 O ARG A 106 -5.867 -12.396 -7.706 1.00 0.00 O ATOM 1635 CB ARG A 106 -3.392 -13.646 -8.903 1.00 0.00 C ATOM 1636 CG ARG A 106 -3.277 -14.963 -9.673 1.00 0.00 C ATOM 1637 CD ARG A 106 -3.460 -16.161 -8.740 1.00 0.00 C ATOM 1638 NE ARG A 106 -4.171 -17.249 -9.447 1.00 0.00 N ATOM 1639 CZ ARG A 106 -5.505 -17.327 -9.559 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -6.279 -16.381 -9.010 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -6.063 -18.350 -10.219 1.00 0.00 N ATOM 0 H ARG A 106 -2.869 -11.408 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.129 -13.298 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.415 -13.166 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.707 -13.846 -7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.028 -14.994 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.303 -15.021 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.489 -16.515 -8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.023 -15.861 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.611 -17.986 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.853 -15.602 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.294 -16.440 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.473 -19.070 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.078 -18.409 -10.304 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.802 -10.575 -8.522 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.396 -9.660 -7.561 1.00 0.00 C ATOM 1657 C LYS A 107 -4.943 -10.043 -6.151 1.00 0.00 C ATOM 1658 O LYS A 107 -5.742 -10.040 -5.216 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.916 -9.619 -7.729 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.320 -8.637 -8.830 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.678 -9.010 -9.427 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.110 -7.994 -10.486 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.574 -8.054 -10.696 1.00 0.00 N ATOM 0 H LYS A 107 -4.161 -10.140 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.051 -8.642 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.286 -10.615 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.382 -9.327 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.363 -7.627 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.563 -8.633 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.623 -10.003 -9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.426 -9.056 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.822 -6.990 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.594 -8.196 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.850 -7.358 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.840 -9.007 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.062 -7.839 -9.803 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.662 -10.364 -6.042 1.00 0.00 N ATOM 1678 CA ARG A 108 -3.093 -10.749 -4.762 1.00 0.00 C ATOM 1679 C ARG A 108 -1.806 -9.966 -4.496 1.00 0.00 C ATOM 1680 O ARG A 108 -1.439 -9.085 -5.272 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.787 -12.248 -4.723 1.00 0.00 C ATOM 1682 CG ARG A 108 -4.074 -13.072 -4.793 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.567 -13.439 -3.392 1.00 0.00 C ATOM 1684 NE ARG A 108 -5.502 -14.584 -3.468 1.00 0.00 N ATOM 1685 CZ ARG A 108 -6.147 -15.098 -2.412 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -5.963 -14.573 -1.193 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -6.977 -16.137 -2.576 1.00 0.00 N ATOM 0 H ARG A 108 -3.002 -10.365 -6.820 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.828 -10.520 -3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.136 -12.512 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.246 -12.489 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.844 -12.506 -5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.898 -13.980 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.720 -13.692 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.064 -12.583 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.665 -15.008 -4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.332 -13.782 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.454 -14.965 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.117 -16.536 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.468 -16.529 -1.773 1.00 0.00 H new ATOM 1701 N PHE A 109 -1.155 -10.314 -3.395 1.00 0.00 N ATOM 1702 CA PHE A 109 0.083 -9.655 -3.017 1.00 0.00 C ATOM 1703 C PHE A 109 1.264 -10.625 -3.086 1.00 0.00 C ATOM 1704 O PHE A 109 1.117 -11.810 -2.792 1.00 0.00 O ATOM 1705 CB PHE A 109 -0.087 -9.178 -1.573 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.125 -7.657 -1.421 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.693 -6.890 -2.390 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.408 -7.070 -0.316 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.729 -5.478 -2.248 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.372 -5.658 -0.174 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.196 -4.891 -1.144 1.00 0.00 C ATOM 0 H PHE A 109 -1.462 -11.044 -2.753 1.00 0.00 H new ATOM 0 HA PHE A 109 0.287 -8.828 -3.697 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.009 -9.596 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.732 -9.573 -0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.117 -7.355 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.859 -7.678 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.180 -4.870 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.795 -5.193 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.223 -3.817 -1.037 1.00 0.00 H new ATOM 1721 N THR A 110 2.409 -10.086 -3.477 1.00 0.00 N ATOM 1722 CA THR A 110 3.615 -10.889 -3.589 1.00 0.00 C ATOM 1723 C THR A 110 4.820 -10.122 -3.040 1.00 0.00 C ATOM 1724 O THR A 110 4.770 -8.901 -2.896 1.00 0.00 O ATOM 1725 CB THR A 110 3.774 -11.303 -5.053 1.00 0.00 C ATOM 1726 OG1 THR A 110 2.737 -12.257 -5.258 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.061 -12.091 -5.302 1.00 0.00 C ATOM 0 H THR A 110 2.527 -9.103 -3.720 1.00 0.00 H new ATOM 0 HA THR A 110 3.544 -11.794 -2.986 1.00 0.00 H new ATOM 0 HB THR A 110 3.765 -10.415 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.766 -12.577 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.125 -12.360 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.921 -11.478 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.056 -12.997 -4.696 1.00 0.00 H new ATOM 1735 N GLN A 111 5.874 -10.869 -2.748 1.00 0.00 N ATOM 1736 CA GLN A 111 7.090 -10.274 -2.219 1.00 0.00 C ATOM 1737 C GLN A 111 8.123 -10.098 -3.332 1.00 0.00 C ATOM 1738 O GLN A 111 8.019 -10.724 -4.386 1.00 0.00 O ATOM 1739 CB GLN A 111 7.656 -11.114 -1.072 1.00 0.00 C ATOM 1740 CG GLN A 111 8.125 -10.223 0.080 1.00 0.00 C ATOM 1741 CD GLN A 111 9.641 -10.323 0.268 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.190 -11.375 0.549 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.283 -9.171 0.097 1.00 0.00 N ATOM 0 H GLN A 111 5.912 -11.881 -2.868 1.00 0.00 H new ATOM 0 HA GLN A 111 6.846 -9.290 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 111 6.895 -11.807 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.490 -11.716 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 111 7.847 -9.188 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.621 -10.517 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.761 -8.326 -0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.297 -9.132 0.200 1.00 0.00 H new ATOM 1752 N ILE A 112 9.098 -9.242 -3.062 1.00 0.00 N ATOM 1753 CA ILE A 112 10.150 -8.975 -4.028 1.00 0.00 C ATOM 1754 C ILE A 112 11.423 -9.710 -3.605 1.00 0.00 C ATOM 1755 O ILE A 112 11.739 -9.779 -2.418 1.00 0.00 O ATOM 1756 CB ILE A 112 10.341 -7.468 -4.209 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.021 -6.720 -4.011 1.00 0.00 C ATOM 1758 CG2 ILE A 112 10.979 -7.156 -5.565 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.084 -6.937 -5.201 1.00 0.00 C ATOM 0 H ILE A 112 9.181 -8.724 -2.187 1.00 0.00 H new ATOM 0 HA ILE A 112 9.872 -9.358 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 112 11.029 -7.116 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.538 -7.063 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.217 -5.655 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.104 -6.078 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.952 -7.642 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.335 -7.525 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.153 -6.395 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.560 -6.571 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.870 -8.001 -5.307 1.00 0.00 H new ATOM 1771 N PRO A 113 12.138 -10.255 -4.625 1.00 0.00 N ATOM 1772 CA PRO A 113 13.370 -10.983 -4.371 1.00 0.00 C ATOM 1773 C PRO A 113 14.514 -10.023 -4.036 1.00 0.00 C ATOM 1774 O PRO A 113 15.606 -10.457 -3.672 1.00 0.00 O ATOM 1775 CB PRO A 113 13.621 -11.786 -5.636 1.00 0.00 C ATOM 1776 CG PRO A 113 12.782 -11.129 -6.720 1.00 0.00 C ATOM 1777 CD PRO A 113 11.795 -10.194 -6.043 1.00 0.00 C ATOM 0 HA PRO A 113 13.299 -11.641 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.678 -11.777 -5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.336 -12.829 -5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.417 -10.577 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.254 -11.883 -7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.884 -9.178 -6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.767 -10.512 -6.216 1.00 0.00 H new ATOM 1785 N ALA A 114 14.224 -8.738 -4.169 1.00 0.00 N ATOM 1786 CA ALA A 114 15.215 -7.713 -3.885 1.00 0.00 C ATOM 1787 C ALA A 114 14.749 -6.877 -2.691 1.00 0.00 C ATOM 1788 O ALA A 114 13.573 -6.901 -2.333 1.00 0.00 O ATOM 1789 CB ALA A 114 15.445 -6.864 -5.137 1.00 0.00 C ATOM 0 H ALA A 114 13.317 -8.382 -4.470 1.00 0.00 H new ATOM 0 HA ALA A 114 16.170 -8.166 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.188 -6.095 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.802 -7.500 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.509 -6.391 -5.433 1.00 0.00 H new ATOM 1795 N LYS A 115 15.697 -6.158 -2.108 1.00 0.00 N ATOM 1796 CA LYS A 115 15.399 -5.316 -0.962 1.00 0.00 C ATOM 1797 C LYS A 115 15.437 -3.848 -1.390 1.00 0.00 C ATOM 1798 O LYS A 115 15.298 -2.951 -0.559 1.00 0.00 O ATOM 1799 CB LYS A 115 16.338 -5.642 0.201 1.00 0.00 C ATOM 1800 CG LYS A 115 15.578 -6.309 1.349 1.00 0.00 C ATOM 1801 CD LYS A 115 15.680 -7.833 1.262 1.00 0.00 C ATOM 1802 CE LYS A 115 15.959 -8.444 2.637 1.00 0.00 C ATOM 1803 NZ LYS A 115 14.863 -9.357 3.031 1.00 0.00 N ATOM 0 H LYS A 115 16.672 -6.141 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 115 14.393 -5.515 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.135 -6.301 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.813 -4.728 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.980 -5.968 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.531 -6.009 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.752 -8.241 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.475 -8.109 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.903 -8.988 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.065 -7.652 3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.068 -9.763 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.968 -8.828 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.781 -10.123 2.332 1.00 0.00 H new ATOM 1817 N THR A 116 15.625 -3.647 -2.686 1.00 0.00 N ATOM 1818 CA THR A 116 15.683 -2.302 -3.234 1.00 0.00 C ATOM 1819 C THR A 116 14.357 -1.943 -3.907 1.00 0.00 C ATOM 1820 O THR A 116 13.567 -2.825 -4.240 1.00 0.00 O ATOM 1821 CB THR A 116 16.884 -2.228 -4.179 1.00 0.00 C ATOM 1822 OG1 THR A 116 17.990 -2.614 -3.367 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.212 -0.794 -4.598 1.00 0.00 C ATOM 0 H THR A 116 15.739 -4.393 -3.373 1.00 0.00 H new ATOM 0 HA THR A 116 15.824 -1.560 -2.448 1.00 0.00 H new ATOM 0 HB THR A 116 16.684 -2.829 -5.066 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.811 -2.595 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.072 -0.798 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.354 -0.360 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.444 -0.201 -3.714 1.00 0.00 H new ATOM 1831 N MET A 117 14.154 -0.646 -4.087 1.00 0.00 N ATOM 1832 CA MET A 117 12.937 -0.160 -4.714 1.00 0.00 C ATOM 1833 C MET A 117 12.902 -0.524 -6.200 1.00 0.00 C ATOM 1834 O MET A 117 13.947 -0.707 -6.822 1.00 0.00 O ATOM 1835 CB MET A 117 12.855 1.360 -4.559 1.00 0.00 C ATOM 1836 CG MET A 117 11.818 1.749 -3.504 1.00 0.00 C ATOM 1837 SD MET A 117 12.329 1.158 -1.899 1.00 0.00 S ATOM 1838 CE MET A 117 10.790 0.464 -1.320 1.00 0.00 C ATOM 0 H MET A 117 14.812 0.083 -3.810 1.00 0.00 H new ATOM 0 HA MET A 117 12.085 -0.631 -4.224 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.831 1.753 -4.276 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.593 1.813 -5.515 1.00 0.00 H new ATOM 0 HG2 MET A 117 11.699 2.832 -3.481 1.00 0.00 H new ATOM 0 HG3 MET A 117 10.847 1.327 -3.764 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.981 -0.178 -0.460 1.00 0.00 H new ATOM 0 HE2 MET A 117 10.114 1.269 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.333 -0.124 -2.116 1.00 0.00 H new ATOM 1848 N SER A 118 11.690 -0.619 -6.725 1.00 0.00 N ATOM 1849 CA SER A 118 11.505 -0.959 -8.126 1.00 0.00 C ATOM 1850 C SER A 118 10.036 -0.787 -8.517 1.00 0.00 C ATOM 1851 O SER A 118 9.146 -0.930 -7.679 1.00 0.00 O ATOM 1852 CB SER A 118 11.966 -2.389 -8.411 1.00 0.00 C ATOM 1853 OG SER A 118 13.382 -2.524 -8.311 1.00 0.00 O ATOM 0 H SER A 118 10.826 -0.466 -6.206 1.00 0.00 H new ATOM 0 HA SER A 118 12.115 -0.283 -8.725 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.486 -3.071 -7.709 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.644 -2.681 -9.410 1.00 0.00 H new ATOM 0 HG SER A 118 13.779 -1.654 -8.097 1.00 0.00 H new ATOM 1859 N MET A 119 9.827 -0.483 -9.789 1.00 0.00 N ATOM 1860 CA MET A 119 8.481 -0.290 -10.301 1.00 0.00 C ATOM 1861 C MET A 119 7.631 -1.546 -10.095 1.00 0.00 C ATOM 1862 O MET A 119 6.407 -1.498 -10.210 1.00 0.00 O ATOM 1863 CB MET A 119 8.544 0.044 -11.793 1.00 0.00 C ATOM 1864 CG MET A 119 9.432 1.265 -12.043 1.00 0.00 C ATOM 1865 SD MET A 119 8.430 2.656 -12.541 1.00 0.00 S ATOM 1866 CE MET A 119 8.019 3.332 -10.941 1.00 0.00 C ATOM 0 H MET A 119 10.567 -0.365 -10.481 1.00 0.00 H new ATOM 0 HA MET A 119 8.020 0.533 -9.755 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.932 -0.812 -12.345 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.539 0.237 -12.169 1.00 0.00 H new ATOM 0 HG2 MET A 119 9.988 1.512 -11.139 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.166 1.039 -12.817 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.745 4.382 -11.049 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.180 2.780 -10.517 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.880 3.248 -10.278 1.00 0.00 H new ATOM 1876 N SER A 120 8.313 -2.641 -9.795 1.00 0.00 N ATOM 1877 CA SER A 120 7.637 -3.907 -9.572 1.00 0.00 C ATOM 1878 C SER A 120 7.279 -4.057 -8.092 1.00 0.00 C ATOM 1879 O SER A 120 7.171 -5.172 -7.585 1.00 0.00 O ATOM 1880 CB SER A 120 8.502 -5.083 -10.030 1.00 0.00 C ATOM 1881 OG SER A 120 8.251 -5.433 -11.388 1.00 0.00 O ATOM 0 H SER A 120 9.328 -2.678 -9.701 1.00 0.00 H new ATOM 0 HA SER A 120 6.721 -3.913 -10.163 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.555 -4.827 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.309 -5.945 -9.392 1.00 0.00 H new ATOM 0 HG SER A 120 8.824 -6.186 -11.643 1.00 0.00 H new ATOM 1887 N VAL A 121 7.106 -2.916 -7.440 1.00 0.00 N ATOM 1888 CA VAL A 121 6.764 -2.906 -6.028 1.00 0.00 C ATOM 1889 C VAL A 121 5.427 -2.186 -5.837 1.00 0.00 C ATOM 1890 O VAL A 121 5.066 -1.320 -6.632 1.00 0.00 O ATOM 1891 CB VAL A 121 7.901 -2.280 -5.218 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.482 -2.063 -3.763 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.168 -3.134 -5.302 1.00 0.00 C ATOM 0 H VAL A 121 7.196 -1.993 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 121 6.642 -3.924 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 121 8.124 -1.305 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.308 -1.617 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.620 -1.397 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.219 -3.020 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.961 -2.667 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.963 -4.129 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.484 -3.215 -6.342 1.00 0.00 H new ATOM 1903 N ASP A 122 4.730 -2.571 -4.778 1.00 0.00 N ATOM 1904 CA ASP A 122 3.441 -1.973 -4.473 1.00 0.00 C ATOM 1905 C ASP A 122 3.144 -2.146 -2.982 1.00 0.00 C ATOM 1906 O ASP A 122 1.983 -2.176 -2.577 1.00 0.00 O ATOM 1907 CB ASP A 122 2.319 -2.651 -5.261 1.00 0.00 C ATOM 1908 CG ASP A 122 2.422 -2.514 -6.781 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.315 -3.179 -7.351 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.607 -1.749 -7.340 1.00 0.00 O ATOM 0 H ASP A 122 5.033 -3.289 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 122 3.485 -0.918 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.306 -3.711 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.365 -2.234 -4.938 1.00 0.00 H new ATOM 1915 N ALA A 123 4.213 -2.255 -2.207 1.00 0.00 N ATOM 1916 CA ALA A 123 4.081 -2.425 -0.770 1.00 0.00 C ATOM 1917 C ALA A 123 5.467 -2.632 -0.156 1.00 0.00 C ATOM 1918 O ALA A 123 6.314 -3.306 -0.740 1.00 0.00 O ATOM 1919 CB ALA A 123 3.134 -3.590 -0.478 1.00 0.00 C ATOM 0 H ALA A 123 5.174 -2.229 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 123 3.649 -1.533 -0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.035 -3.717 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.155 -3.380 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.536 -4.504 -0.916 1.00 0.00 H new ATOM 1925 N PHE A 124 5.655 -2.039 1.014 1.00 0.00 N ATOM 1926 CA PHE A 124 6.923 -2.151 1.714 1.00 0.00 C ATOM 1927 C PHE A 124 6.734 -1.982 3.223 1.00 0.00 C ATOM 1928 O PHE A 124 5.724 -1.440 3.668 1.00 0.00 O ATOM 1929 CB PHE A 124 7.820 -1.025 1.195 1.00 0.00 C ATOM 1930 CG PHE A 124 7.403 0.370 1.665 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.206 0.887 1.280 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.229 1.093 2.468 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.818 2.182 1.716 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.842 2.387 2.904 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.645 2.905 2.519 1.00 0.00 C ATOM 0 H PHE A 124 4.950 -1.480 1.495 1.00 0.00 H new ATOM 0 HA PHE A 124 7.360 -3.134 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.845 -1.214 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.818 -1.046 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.550 0.313 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.180 0.682 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.867 2.593 1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.498 2.960 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.351 3.890 2.850 1.00 0.00 H new ATOM 1945 N THR A 125 7.722 -2.455 3.968 1.00 0.00 N ATOM 1946 CA THR A 125 7.677 -2.364 5.417 1.00 0.00 C ATOM 1947 C THR A 125 9.038 -1.932 5.967 1.00 0.00 C ATOM 1948 O THR A 125 10.008 -2.686 5.896 1.00 0.00 O ATOM 1949 CB THR A 125 7.201 -3.712 5.962 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.040 -4.664 5.312 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.792 -4.071 5.487 1.00 0.00 C ATOM 0 H THR A 125 8.559 -2.903 3.595 1.00 0.00 H new ATOM 0 HA THR A 125 6.972 -1.599 5.743 1.00 0.00 H new ATOM 0 HB THR A 125 7.222 -3.691 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.970 -4.357 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.503 -5.036 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.090 -3.307 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.778 -4.125 4.398 1.00 0.00 H new ATOM 1959 N ILE A 126 9.068 -0.721 6.502 1.00 0.00 N ATOM 1960 CA ILE A 126 10.294 -0.180 7.064 1.00 0.00 C ATOM 1961 C ILE A 126 10.806 -1.119 8.158 1.00 0.00 C ATOM 1962 O ILE A 126 10.161 -2.117 8.477 1.00 0.00 O ATOM 1963 CB ILE A 126 10.077 1.258 7.538 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.126 1.303 8.736 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.595 2.148 6.391 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.068 2.708 9.338 1.00 0.00 C ATOM 0 H ILE A 126 8.262 -0.098 6.558 1.00 0.00 H new ATOM 0 HA ILE A 126 11.071 -0.125 6.302 1.00 0.00 H new ATOM 0 HB ILE A 126 11.036 1.655 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.128 0.996 8.424 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.456 0.592 9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.449 3.165 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.340 2.152 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.652 1.763 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.385 2.712 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 126 10.063 3.002 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.714 3.412 8.585 1.00 0.00 H new ATOM 1978 N GLN A 127 11.960 -0.765 8.704 1.00 0.00 N ATOM 1979 CA GLN A 127 12.566 -1.563 9.756 1.00 0.00 C ATOM 1980 C GLN A 127 11.658 -1.596 10.987 1.00 0.00 C ATOM 1981 O GLN A 127 10.576 -1.010 10.981 1.00 0.00 O ATOM 1982 CB GLN A 127 13.956 -1.034 10.114 1.00 0.00 C ATOM 1983 CG GLN A 127 15.030 -1.679 9.236 1.00 0.00 C ATOM 1984 CD GLN A 127 16.158 -2.264 10.089 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.735 -2.979 11.128 1.00 0.00 O flip ATOM 1986 NE2 GLN A 127 17.334 -2.078 9.822 1.00 0.00 N flip ATOM 0 H GLN A 127 12.491 0.064 8.438 1.00 0.00 H new ATOM 0 HA GLN A 127 12.685 -2.582 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.981 0.049 9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.168 -1.238 11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.583 -2.466 8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.436 -0.937 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.590 -1.518 9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.061 -2.482 10.412 1.00 0.00 H new ATOM 1995 N GLY A 128 12.131 -2.286 12.014 1.00 0.00 N ATOM 1996 CA GLY A 128 11.376 -2.402 13.250 1.00 0.00 C ATOM 1997 C GLY A 128 11.917 -1.447 14.316 1.00 0.00 C ATOM 1998 O GLY A 128 11.173 -0.996 15.185 1.00 0.00 O ATOM 0 H GLY A 128 13.028 -2.771 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.325 -2.183 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.427 -3.427 13.616 1.00 0.00 H new ATOM 2002 N HIS A 129 13.208 -1.167 14.213 1.00 0.00 N ATOM 2003 CA HIS A 129 13.857 -0.274 15.157 1.00 0.00 C ATOM 2004 C HIS A 129 13.314 1.145 14.978 1.00 0.00 C ATOM 2005 O HIS A 129 13.558 2.017 15.811 1.00 0.00 O ATOM 2006 CB HIS A 129 15.379 -0.348 15.017 1.00 0.00 C ATOM 2007 CG HIS A 129 15.905 0.223 13.723 1.00 0.00 C ATOM 2008 ND1 HIS A 129 15.979 1.512 13.282 1.00 0.00 N flip ATOM 2009 CD2 HIS A 129 16.433 -0.565 12.715 1.00 0.00 C flip ATOM 2010 CE1 HIS A 129 16.523 1.511 12.071 1.00 0.00 C flip ATOM 2011 NE2 HIS A 129 16.805 0.224 11.718 1.00 0.00 N flip ATOM 0 H HIS A 129 13.822 -1.543 13.490 1.00 0.00 H new ATOM 0 HA HIS A 129 13.628 -0.588 16.175 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.837 0.186 15.850 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.691 -1.390 15.096 1.00 0.00 H new ATOM 0 HD1 HIS A 129 15.669 2.337 13.796 1.00 0.00 H new ATOM 0 HD2 HIS A 129 16.526 -1.641 12.737 1.00 0.00 H new ATOM 0 HE1 HIS A 129 16.711 2.385 11.465 1.00 0.00 H new ATOM 2019 N LEU A 130 12.588 1.333 13.886 1.00 0.00 N ATOM 2020 CA LEU A 130 12.008 2.631 13.587 1.00 0.00 C ATOM 2021 C LEU A 130 10.910 2.941 14.605 1.00 0.00 C ATOM 2022 O LEU A 130 11.011 3.909 15.357 1.00 0.00 O ATOM 2023 CB LEU A 130 11.533 2.683 12.134 1.00 0.00 C ATOM 2024 CG LEU A 130 12.584 3.085 11.097 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.996 2.790 11.607 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.310 2.416 9.749 1.00 0.00 C ATOM 0 H LEU A 130 12.388 0.608 13.197 1.00 0.00 H new ATOM 0 HA LEU A 130 12.759 3.415 13.681 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.143 1.701 11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.701 3.385 12.070 1.00 0.00 H new ATOM 0 HG LEU A 130 12.515 4.162 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.725 3.085 10.852 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.176 3.351 12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.094 1.723 11.809 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.072 2.719 9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.335 1.333 9.869 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.328 2.719 9.386 1.00 0.00 H new ATOM 2038 N TRP A 131 9.885 2.101 14.596 1.00 0.00 N ATOM 2039 CA TRP A 131 8.768 2.274 15.510 1.00 0.00 C ATOM 2040 C TRP A 131 9.329 2.360 16.931 1.00 0.00 C ATOM 2041 O TRP A 131 9.189 3.385 17.596 1.00 0.00 O ATOM 2042 CB TRP A 131 7.742 1.152 15.339 1.00 0.00 C ATOM 2043 CG TRP A 131 7.330 0.900 13.887 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.674 -0.127 13.098 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.478 1.738 13.078 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.107 -0.013 11.845 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.357 1.157 11.832 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.830 2.947 13.389 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.595 1.713 10.798 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 5.073 3.490 12.344 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.941 2.917 11.084 1.00 0.00 C ATOM 0 H TRP A 131 9.804 1.299 13.971 1.00 0.00 H new ATOM 0 HA TRP A 131 8.230 3.196 15.292 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.153 0.232 15.754 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.853 1.395 15.921 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.314 -0.941 13.404 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.218 -0.667 11.070 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.910 3.419 14.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.516 1.238 9.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.555 4.419 12.530 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.337 3.399 10.330 1.00 0.00 H new