USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=28 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 : amide:sc= -3.3 X(o=-13,f=-13) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -9.28! C(o=-13!,f=-14!) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -11.5! C(o=-16!,f=-20!) USER MOD Set 2.2: A 119 MET CE :methyl -164:sc= -4.03! (180deg=-0.0126) USER MOD Set 3.1: A 103 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Set 3.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 25 ASN : amide:sc= 0 X(o=-6,f=-5.9) USER MOD Set 4.2: A 29 HIS : no HD1:sc= -5.28! C(o=-6!,f=-8.5!) USER MOD Set 4.3: A 102 TYR OH : rot 134:sc= -0.768! USER MOD Single : A 18 SER OG : rot -26:sc= 0.0925 USER MOD Single : A 19 ASN : amide:sc= -0.645 K(o=-0.64,f=-8.4!) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.049) USER MOD Single : A 24 HIS :FLIP no HE2:sc= -1.26 F(o=-2.4!,f=-1.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 49:sc=-0.00544 USER MOD Single : A 31 CYS SG : rot 148:sc= -7.34! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.53) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=-0.63) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -100:sc= -1.66 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.0384 K(o=0.038,f=-2.8!) USER MOD Single : A 66 GLN : amide:sc=-0.00949 X(o=-0.0095,f=-0.0056) USER MOD Single : A 71 TYR OH : rot -15:sc= -1.36 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.000137 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0267 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= -0.285 USER MOD Single : A 95 MET CE :methyl -164:sc= -0.596 (180deg=-0.941) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00158) USER MOD Single : A 104 SER OG : rot 180:sc= -0.12 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0155 X(o=-0.015,f=0) 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 147:sc= -1.74 (180deg=-3.83!) USER MOD Single : A 118 SER OG : rot 23:sc= 1.28 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 50:sc= 0.0877 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.540 3.414 -14.270 1.00 0.00 N ATOM 239 CA SER A 18 2.911 3.880 -13.046 1.00 0.00 C ATOM 240 C SER A 18 2.077 2.757 -12.425 1.00 0.00 C ATOM 241 O SER A 18 1.399 2.017 -13.137 1.00 0.00 O ATOM 242 CB SER A 18 2.036 5.107 -13.308 1.00 0.00 C ATOM 243 OG SER A 18 1.079 4.870 -14.337 1.00 0.00 O ATOM 0 HA SER A 18 3.696 4.170 -12.348 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.519 5.387 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.668 5.950 -13.588 1.00 0.00 H new ATOM 0 HG SER A 18 1.409 4.168 -14.935 1.00 0.00 H new ATOM 249 N ASN A 19 2.155 2.664 -11.106 1.00 0.00 N ATOM 250 CA ASN A 19 1.416 1.644 -10.382 1.00 0.00 C ATOM 251 C ASN A 19 0.399 2.316 -9.458 1.00 0.00 C ATOM 252 O ASN A 19 0.149 1.839 -8.352 1.00 0.00 O ATOM 253 CB ASN A 19 2.351 0.795 -9.518 1.00 0.00 C ATOM 254 CG ASN A 19 2.842 1.585 -8.303 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.093 2.777 -8.365 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.965 0.855 -7.198 1.00 0.00 N ATOM 0 H ASN A 19 2.719 3.279 -10.519 1.00 0.00 H new ATOM 0 HA ASN A 19 0.920 1.005 -11.113 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.830 -0.103 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.204 0.467 -10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.287 1.289 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.738 -0.139 -7.216 1.00 0.00 H new ATOM 263 N LYS A 20 -0.160 3.414 -9.945 1.00 0.00 N ATOM 264 CA LYS A 20 -1.145 4.157 -9.177 1.00 0.00 C ATOM 265 C LYS A 20 -2.494 3.441 -9.257 1.00 0.00 C ATOM 266 O LYS A 20 -3.178 3.283 -8.247 1.00 0.00 O ATOM 267 CB LYS A 20 -1.194 5.615 -9.636 1.00 0.00 C ATOM 268 CG LYS A 20 -2.475 6.299 -9.154 1.00 0.00 C ATOM 269 CD LYS A 20 -2.264 7.806 -8.993 1.00 0.00 C ATOM 270 CE LYS A 20 -1.803 8.439 -10.308 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.899 8.425 -11.302 1.00 0.00 N ATOM 0 H LYS A 20 0.050 3.807 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.863 4.188 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.325 6.150 -9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.141 5.659 -10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.280 6.115 -9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.786 5.868 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.193 8.274 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.522 7.992 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.478 9.464 -10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.943 7.895 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.604 8.947 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.121 7.442 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.743 8.875 -10.894 1.00 0.00 H new ATOM 285 N PHE A 21 -2.837 3.027 -10.468 1.00 0.00 N ATOM 286 CA PHE A 21 -4.093 2.332 -10.694 1.00 0.00 C ATOM 287 C PHE A 21 -4.091 0.962 -10.011 1.00 0.00 C ATOM 288 O PHE A 21 -5.150 0.413 -9.711 1.00 0.00 O ATOM 289 CB PHE A 21 -4.230 2.135 -12.205 1.00 0.00 C ATOM 290 CG PHE A 21 -4.571 3.414 -12.971 1.00 0.00 C ATOM 291 CD1 PHE A 21 -5.829 3.928 -12.911 1.00 0.00 C ATOM 292 CD2 PHE A 21 -3.617 4.039 -13.712 1.00 0.00 C ATOM 293 CE1 PHE A 21 -6.146 5.115 -13.622 1.00 0.00 C ATOM 294 CE2 PHE A 21 -3.934 5.226 -14.422 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.192 5.740 -14.362 1.00 0.00 C ATOM 0 H PHE A 21 -2.267 3.160 -11.303 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.919 2.913 -10.283 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.296 1.729 -12.594 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.005 1.392 -12.395 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.587 3.433 -12.322 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.618 3.632 -13.760 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.145 5.522 -13.575 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.176 5.722 -15.010 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.433 6.644 -14.902 1.00 0.00 H new ATOM 305 N ILE A 22 -2.890 0.450 -9.785 1.00 0.00 N ATOM 306 CA ILE A 22 -2.737 -0.844 -9.144 1.00 0.00 C ATOM 307 C ILE A 22 -2.982 -0.696 -7.641 1.00 0.00 C ATOM 308 O ILE A 22 -3.396 -1.646 -6.979 1.00 0.00 O ATOM 309 CB ILE A 22 -1.378 -1.456 -9.488 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.190 -1.557 -11.003 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.193 -2.807 -8.796 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.271 -1.839 -11.357 1.00 0.00 C ATOM 0 H ILE A 22 -2.014 0.909 -10.035 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.481 -1.546 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.600 -0.793 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.824 -2.350 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.509 -0.628 -11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.219 -3.220 -9.058 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.252 -2.674 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.976 -3.492 -9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.377 -1.906 -12.440 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.899 -1.032 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.580 -2.781 -10.903 1.00 0.00 H new ATOM 324 N ILE A 23 -2.714 0.504 -7.146 1.00 0.00 N ATOM 325 CA ILE A 23 -2.900 0.789 -5.733 1.00 0.00 C ATOM 326 C ILE A 23 -4.337 1.257 -5.496 1.00 0.00 C ATOM 327 O ILE A 23 -4.989 0.818 -4.551 1.00 0.00 O ATOM 328 CB ILE A 23 -1.842 1.779 -5.243 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.445 1.156 -5.287 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.190 2.309 -3.850 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.429 -0.202 -4.582 1.00 0.00 C ATOM 0 H ILE A 23 -2.370 1.290 -7.698 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.757 -0.114 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.835 2.633 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.129 1.036 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.271 1.826 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.422 3.011 -3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.154 2.817 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.242 1.478 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.575 -0.624 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.722 -0.074 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.128 -0.877 -5.076 1.00 0.00 H new ATOM 343 N HIS A 24 -4.788 2.144 -6.372 1.00 0.00 N ATOM 344 CA HIS A 24 -6.136 2.677 -6.270 1.00 0.00 C ATOM 345 C HIS A 24 -7.120 1.536 -6.003 1.00 0.00 C ATOM 346 O HIS A 24 -8.062 1.693 -5.227 1.00 0.00 O ATOM 347 CB HIS A 24 -6.495 3.490 -7.515 1.00 0.00 C ATOM 348 CG HIS A 24 -7.470 4.613 -7.256 1.00 0.00 C ATOM 349 ND1 HIS A 24 -7.361 5.956 -7.471 1.00 0.00 N flip ATOM 350 CD2 HIS A 24 -8.725 4.405 -6.712 1.00 0.00 C flip ATOM 351 CE1 HIS A 24 -8.489 6.536 -7.081 1.00 0.00 C flip ATOM 352 NE2 HIS A 24 -9.336 5.576 -6.609 1.00 0.00 N flip ATOM 0 H HIS A 24 -4.244 2.506 -7.155 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.195 3.366 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.582 3.907 -7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.919 2.821 -8.264 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -6.550 6.433 -7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.137 3.450 -6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.702 7.594 -7.129 1.00 0.00 H new ATOM 360 N ASN A 25 -6.868 0.414 -6.660 1.00 0.00 N ATOM 361 CA ASN A 25 -7.720 -0.752 -6.504 1.00 0.00 C ATOM 362 C ASN A 25 -7.354 -1.476 -5.206 1.00 0.00 C ATOM 363 O ASN A 25 -8.222 -2.026 -4.532 1.00 0.00 O ATOM 364 CB ASN A 25 -7.529 -1.733 -7.662 1.00 0.00 C ATOM 365 CG ASN A 25 -8.665 -1.608 -8.680 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.630 -2.355 -8.667 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.497 -0.625 -9.560 1.00 0.00 N ATOM 0 H ASN A 25 -6.085 0.288 -7.302 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.756 -0.413 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.574 -1.541 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.491 -2.752 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.200 -0.460 -10.280 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.665 -0.036 -9.514 1.00 0.00 H new ATOM 374 N ALA A 26 -6.066 -1.452 -4.896 1.00 0.00 N ATOM 375 CA ALA A 26 -5.574 -2.098 -3.692 1.00 0.00 C ATOM 376 C ALA A 26 -6.267 -1.490 -2.472 1.00 0.00 C ATOM 377 O ALA A 26 -6.455 -2.163 -1.460 1.00 0.00 O ATOM 378 CB ALA A 26 -4.051 -1.963 -3.625 1.00 0.00 C ATOM 0 H ALA A 26 -5.348 -0.995 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.806 -3.163 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.682 -2.448 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.605 -2.437 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.780 -0.907 -3.607 1.00 0.00 H new ATOM 384 N LEU A 27 -6.630 -0.223 -2.608 1.00 0.00 N ATOM 385 CA LEU A 27 -7.299 0.484 -1.529 1.00 0.00 C ATOM 386 C LEU A 27 -8.753 0.017 -1.444 1.00 0.00 C ATOM 387 O LEU A 27 -9.219 -0.382 -0.378 1.00 0.00 O ATOM 388 CB LEU A 27 -7.148 1.997 -1.705 1.00 0.00 C ATOM 389 CG LEU A 27 -5.716 2.516 -1.846 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.681 4.045 -1.818 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.802 1.903 -0.782 1.00 0.00 C ATOM 0 H LEU A 27 -6.473 0.332 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.832 0.249 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.711 2.298 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.610 2.490 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.335 2.203 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.651 4.387 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.277 4.438 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.090 4.401 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.790 2.289 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.172 2.164 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.792 0.819 -0.892 1.00 0.00 H new ATOM 403 N SER A 28 -9.430 0.083 -2.581 1.00 0.00 N ATOM 404 CA SER A 28 -10.822 -0.328 -2.648 1.00 0.00 C ATOM 405 C SER A 28 -10.916 -1.855 -2.677 1.00 0.00 C ATOM 406 O SER A 28 -12.011 -2.412 -2.735 1.00 0.00 O ATOM 407 CB SER A 28 -11.514 0.269 -3.875 1.00 0.00 C ATOM 408 OG SER A 28 -12.188 1.486 -3.567 1.00 0.00 O ATOM 0 H SER A 28 -9.040 0.415 -3.463 1.00 0.00 H new ATOM 0 HA SER A 28 -11.332 0.045 -1.759 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.775 0.451 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.229 -0.451 -4.274 1.00 0.00 H new ATOM 0 HG SER A 28 -12.616 1.837 -4.376 1.00 0.00 H new ATOM 414 N HIS A 29 -9.753 -2.489 -2.635 1.00 0.00 N ATOM 415 CA HIS A 29 -9.690 -3.940 -2.656 1.00 0.00 C ATOM 416 C HIS A 29 -9.982 -4.486 -1.257 1.00 0.00 C ATOM 417 O HIS A 29 -10.798 -5.393 -1.099 1.00 0.00 O ATOM 418 CB HIS A 29 -8.346 -4.418 -3.210 1.00 0.00 C ATOM 419 CG HIS A 29 -8.376 -4.763 -4.680 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.695 -5.845 -5.210 1.00 0.00 N ATOM 421 CD2 HIS A 29 -9.012 -4.159 -5.725 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.918 -5.880 -6.516 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.733 -4.834 -6.833 1.00 0.00 N ATOM 0 H HIS A 29 -8.847 -2.024 -2.587 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.454 -4.331 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.599 -3.641 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.024 -5.295 -2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.637 -3.280 -5.661 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.523 -6.609 -7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.072 -4.608 -7.768 1.00 0.00 H new ATOM 431 N CYS A 30 -9.299 -3.912 -0.278 1.00 0.00 N ATOM 432 CA CYS A 30 -9.475 -4.330 1.103 1.00 0.00 C ATOM 433 C CYS A 30 -8.708 -3.357 2.001 1.00 0.00 C ATOM 434 O CYS A 30 -9.202 -2.959 3.054 1.00 0.00 O ATOM 435 CB CYS A 30 -9.029 -5.777 1.317 1.00 0.00 C ATOM 436 SG CYS A 30 -10.485 -6.886 1.334 1.00 0.00 S ATOM 0 H CYS A 30 -8.622 -3.161 -0.413 1.00 0.00 H new ATOM 0 HA CYS A 30 -10.534 -4.304 1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.343 -6.076 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.485 -5.863 2.258 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.239 -6.628 0.307 1.00 0.00 H new ATOM 442 N CYS A 31 -7.513 -3.003 1.551 1.00 0.00 N ATOM 443 CA CYS A 31 -6.673 -2.085 2.300 1.00 0.00 C ATOM 444 C CYS A 31 -7.565 -0.993 2.893 1.00 0.00 C ATOM 445 O CYS A 31 -7.483 -0.698 4.085 1.00 0.00 O ATOM 446 CB CYS A 31 -5.557 -1.501 1.431 1.00 0.00 C ATOM 447 SG CYS A 31 -4.844 -0.022 2.239 1.00 0.00 S ATOM 0 H CYS A 31 -7.107 -3.336 0.677 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.172 -2.622 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.780 -2.249 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.950 -1.236 0.450 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.583 0.071 1.939 1.00 0.00 H new ATOM 453 N LEU A 32 -8.397 -0.422 2.035 1.00 0.00 N ATOM 454 CA LEU A 32 -9.304 0.632 2.459 1.00 0.00 C ATOM 455 C LEU A 32 -10.605 0.531 1.660 1.00 0.00 C ATOM 456 O LEU A 32 -10.963 1.455 0.931 1.00 0.00 O ATOM 457 CB LEU A 32 -8.623 1.998 2.356 1.00 0.00 C ATOM 458 CG LEU A 32 -7.354 2.180 3.191 1.00 0.00 C ATOM 459 CD1 LEU A 32 -6.424 3.216 2.557 1.00 0.00 C ATOM 460 CD2 LEU A 32 -7.698 2.530 4.641 1.00 0.00 C ATOM 0 H LEU A 32 -8.463 -0.669 1.048 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.565 0.510 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.375 2.180 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.341 2.763 2.651 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.816 1.232 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.530 3.326 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.140 2.887 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.939 4.175 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.779 2.654 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.269 3.458 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.292 1.727 5.078 1.00 0.00 H new ATOM 472 N ALA A 33 -11.277 -0.599 1.824 1.00 0.00 N ATOM 473 CA ALA A 33 -12.530 -0.832 1.127 1.00 0.00 C ATOM 474 C ALA A 33 -13.659 -0.970 2.150 1.00 0.00 C ATOM 475 O ALA A 33 -14.804 -1.234 1.785 1.00 0.00 O ATOM 476 CB ALA A 33 -12.397 -2.069 0.236 1.00 0.00 C ATOM 0 H ALA A 33 -10.977 -1.363 2.430 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.772 0.011 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.337 -2.244 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.601 -1.909 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.157 -2.936 0.851 1.00 0.00 H new ATOM 482 N GLY A 34 -13.298 -0.785 3.412 1.00 0.00 N ATOM 483 CA GLY A 34 -14.266 -0.886 4.490 1.00 0.00 C ATOM 484 C GLY A 34 -14.911 0.472 4.776 1.00 0.00 C ATOM 485 O GLY A 34 -14.271 1.511 4.625 1.00 0.00 O ATOM 0 H GLY A 34 -12.348 -0.566 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.036 -1.610 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.776 -1.257 5.390 1.00 0.00 H new ATOM 489 N LYS A 35 -16.170 0.419 5.185 1.00 0.00 N ATOM 490 CA LYS A 35 -16.908 1.632 5.494 1.00 0.00 C ATOM 491 C LYS A 35 -16.158 2.420 6.570 1.00 0.00 C ATOM 492 O LYS A 35 -16.053 3.643 6.488 1.00 0.00 O ATOM 493 CB LYS A 35 -18.353 1.298 5.872 1.00 0.00 C ATOM 494 CG LYS A 35 -19.253 2.528 5.737 1.00 0.00 C ATOM 495 CD LYS A 35 -20.159 2.412 4.509 1.00 0.00 C ATOM 496 CE LYS A 35 -21.609 2.150 4.920 1.00 0.00 C ATOM 497 NZ LYS A 35 -22.394 1.659 3.765 1.00 0.00 N ATOM 0 H LYS A 35 -16.698 -0.445 5.310 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.972 2.273 4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.725 0.499 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.388 0.928 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.862 2.637 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.639 3.425 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.103 3.330 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.807 1.603 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.638 1.416 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.055 3.066 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.376 1.486 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.381 2.372 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.977 0.773 3.413 1.00 0.00 H new ATOM 511 N VAL A 36 -15.656 1.688 7.553 1.00 0.00 N ATOM 512 CA VAL A 36 -14.919 2.303 8.643 1.00 0.00 C ATOM 513 C VAL A 36 -13.889 3.278 8.070 1.00 0.00 C ATOM 514 O VAL A 36 -13.605 4.313 8.673 1.00 0.00 O ATOM 515 CB VAL A 36 -14.292 1.223 9.527 1.00 0.00 C ATOM 516 CG1 VAL A 36 -15.367 0.313 10.126 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.257 0.409 8.748 1.00 0.00 C ATOM 0 H VAL A 36 -15.745 0.674 7.617 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.591 2.877 9.281 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.777 1.720 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.895 -0.446 10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.050 0.908 10.732 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.922 -0.172 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.827 -0.352 9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.738 -0.073 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -12.467 1.070 8.392 1.00 0.00 H new ATOM 527 N ASN A 37 -13.357 2.914 6.913 1.00 0.00 N ATOM 528 CA ASN A 37 -12.364 3.744 6.251 1.00 0.00 C ATOM 529 C ASN A 37 -12.992 4.400 5.020 1.00 0.00 C ATOM 530 O ASN A 37 -12.362 4.483 3.967 1.00 0.00 O ATOM 531 CB ASN A 37 -11.170 2.909 5.785 1.00 0.00 C ATOM 532 CG ASN A 37 -10.405 2.332 6.977 1.00 0.00 C ATOM 533 OD1 ASN A 37 -10.206 2.980 7.992 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.988 1.082 6.799 1.00 0.00 N ATOM 0 H ASN A 37 -13.595 2.055 6.416 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.023 4.494 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.517 2.098 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.502 3.527 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.467 0.608 7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.189 0.597 5.924 1.00 0.00 H new ATOM 541 N GLU A 38 -14.227 4.849 5.193 1.00 0.00 N ATOM 542 CA GLU A 38 -14.947 5.495 4.109 1.00 0.00 C ATOM 543 C GLU A 38 -14.478 6.942 3.948 1.00 0.00 C ATOM 544 O GLU A 38 -14.310 7.423 2.829 1.00 0.00 O ATOM 545 CB GLU A 38 -16.458 5.430 4.340 1.00 0.00 C ATOM 546 CG GLU A 38 -17.217 6.113 3.200 1.00 0.00 C ATOM 547 CD GLU A 38 -18.616 6.538 3.650 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.712 7.632 4.247 1.00 0.00 O ATOM 549 OE2 GLU A 38 -19.558 5.760 3.386 1.00 0.00 O ATOM 0 H GLU A 38 -14.747 4.778 6.068 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.731 4.959 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.773 4.389 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.706 5.911 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.660 6.986 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.295 5.433 2.352 1.00 0.00 H new ATOM 556 N PRO A 39 -14.275 7.613 5.113 1.00 0.00 N ATOM 557 CA PRO A 39 -13.829 8.996 5.113 1.00 0.00 C ATOM 558 C PRO A 39 -12.344 9.093 4.758 1.00 0.00 C ATOM 559 O PRO A 39 -11.935 9.991 4.024 1.00 0.00 O ATOM 560 CB PRO A 39 -14.141 9.511 6.508 1.00 0.00 C ATOM 561 CG PRO A 39 -14.319 8.277 7.378 1.00 0.00 C ATOM 562 CD PRO A 39 -14.464 7.075 6.458 1.00 0.00 C ATOM 0 HA PRO A 39 -14.333 9.600 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.333 10.139 6.882 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.044 10.121 6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.462 8.150 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.199 8.381 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.722 6.310 6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.444 6.611 6.565 1.00 0.00 H new ATOM 570 N GLN A 40 -11.577 8.155 5.296 1.00 0.00 N ATOM 571 CA GLN A 40 -10.147 8.124 5.045 1.00 0.00 C ATOM 572 C GLN A 40 -9.870 7.700 3.601 1.00 0.00 C ATOM 573 O GLN A 40 -9.167 8.396 2.870 1.00 0.00 O ATOM 574 CB GLN A 40 -9.437 7.197 6.034 1.00 0.00 C ATOM 575 CG GLN A 40 -8.126 6.670 5.448 1.00 0.00 C ATOM 576 CD GLN A 40 -7.057 6.528 6.534 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.334 7.457 6.854 1.00 0.00 O ATOM 578 NE2 GLN A 40 -6.998 5.317 7.080 1.00 0.00 N ATOM 0 H GLN A 40 -11.920 7.411 5.904 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.751 9.129 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.235 7.734 6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.089 6.361 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.298 5.704 4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.772 7.348 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.634 4.584 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.317 5.121 7.814 1.00 0.00 H new ATOM 587 N LYS A 41 -10.437 6.561 3.233 1.00 0.00 N ATOM 588 CA LYS A 41 -10.260 6.036 1.890 1.00 0.00 C ATOM 589 C LYS A 41 -10.235 7.197 0.893 1.00 0.00 C ATOM 590 O LYS A 41 -9.276 7.351 0.138 1.00 0.00 O ATOM 591 CB LYS A 41 -11.327 4.984 1.581 1.00 0.00 C ATOM 592 CG LYS A 41 -11.421 4.724 0.076 1.00 0.00 C ATOM 593 CD LYS A 41 -12.607 3.814 -0.250 1.00 0.00 C ATOM 594 CE LYS A 41 -13.932 4.492 0.106 1.00 0.00 C ATOM 595 NZ LYS A 41 -15.074 3.676 -0.364 1.00 0.00 N ATOM 0 H LYS A 41 -11.020 5.987 3.842 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.303 5.521 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.088 4.056 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.294 5.320 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.528 5.670 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.498 4.264 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.596 3.563 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.514 2.878 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.997 4.632 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.974 5.482 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.965 4.150 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.019 3.564 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.041 2.740 0.088 1.00 0.00 H new ATOM 609 N ASN A 42 -11.300 7.984 0.923 1.00 0.00 N ATOM 610 CA ASN A 42 -11.412 9.126 0.032 1.00 0.00 C ATOM 611 C ASN A 42 -10.174 10.012 0.187 1.00 0.00 C ATOM 612 O ASN A 42 -9.530 10.363 -0.801 1.00 0.00 O ATOM 613 CB ASN A 42 -12.642 9.971 0.370 1.00 0.00 C ATOM 614 CG ASN A 42 -13.906 9.371 -0.250 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.247 9.621 -1.394 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.580 8.567 0.568 1.00 0.00 N ATOM 0 H ASN A 42 -12.093 7.853 1.551 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.502 8.750 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.758 10.034 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.501 10.988 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.438 8.117 0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.239 8.400 1.515 1.00 0.00 H new ATOM 623 N ARG A 43 -9.878 10.348 1.434 1.00 0.00 N ATOM 624 CA ARG A 43 -8.728 11.185 1.730 1.00 0.00 C ATOM 625 C ARG A 43 -7.474 10.623 1.058 1.00 0.00 C ATOM 626 O ARG A 43 -6.617 11.380 0.604 1.00 0.00 O ATOM 627 CB ARG A 43 -8.491 11.280 3.239 1.00 0.00 C ATOM 628 CG ARG A 43 -9.529 12.188 3.901 1.00 0.00 C ATOM 629 CD ARG A 43 -8.886 13.483 4.401 1.00 0.00 C ATOM 630 NE ARG A 43 -9.910 14.348 5.029 1.00 0.00 N ATOM 631 CZ ARG A 43 -10.884 14.971 4.352 1.00 0.00 C ATOM 632 NH1 ARG A 43 -10.972 14.830 3.022 1.00 0.00 N ATOM 633 NH2 ARG A 43 -11.770 15.736 5.004 1.00 0.00 N ATOM 0 H ARG A 43 -10.415 10.056 2.251 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.935 12.182 1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.538 10.285 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.490 11.667 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.320 12.422 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.996 11.664 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.100 13.254 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.414 14.008 3.571 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.872 14.478 6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.297 14.248 2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.714 15.304 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.703 15.844 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.511 16.210 4.488 1.00 0.00 H new ATOM 647 N ILE A 44 -7.406 9.301 1.015 1.00 0.00 N ATOM 648 CA ILE A 44 -6.271 8.629 0.406 1.00 0.00 C ATOM 649 C ILE A 44 -6.300 8.859 -1.106 1.00 0.00 C ATOM 650 O ILE A 44 -5.366 9.429 -1.669 1.00 0.00 O ATOM 651 CB ILE A 44 -6.247 7.152 0.803 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.439 6.986 2.312 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.967 6.472 0.311 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.652 8.046 3.085 1.00 0.00 C ATOM 0 H ILE A 44 -8.119 8.677 1.392 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.336 9.050 0.775 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.085 6.654 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.498 7.063 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.113 5.992 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.976 5.423 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.912 6.542 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.101 6.966 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.806 7.905 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.591 7.951 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.998 9.039 2.796 1.00 0.00 H new ATOM 666 N LEU A 45 -7.381 8.403 -1.722 1.00 0.00 N ATOM 667 CA LEU A 45 -7.544 8.552 -3.158 1.00 0.00 C ATOM 668 C LEU A 45 -7.216 9.992 -3.557 1.00 0.00 C ATOM 669 O LEU A 45 -6.445 10.221 -4.488 1.00 0.00 O ATOM 670 CB LEU A 45 -8.939 8.096 -3.589 1.00 0.00 C ATOM 671 CG LEU A 45 -9.237 6.604 -3.431 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.956 5.817 -3.147 1.00 0.00 C ATOM 673 CD2 LEU A 45 -10.304 6.368 -2.361 1.00 0.00 C ATOM 0 H LEU A 45 -8.153 7.930 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.845 7.907 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.676 8.656 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.080 8.365 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.640 6.234 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.195 4.759 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.257 5.948 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.501 6.182 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.497 5.299 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.953 6.757 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.224 6.879 -2.645 1.00 0.00 H new ATOM 685 N GLU A 46 -7.818 10.925 -2.834 1.00 0.00 N ATOM 686 CA GLU A 46 -7.599 12.336 -3.101 1.00 0.00 C ATOM 687 C GLU A 46 -6.103 12.654 -3.082 1.00 0.00 C ATOM 688 O GLU A 46 -5.572 13.216 -4.040 1.00 0.00 O ATOM 689 CB GLU A 46 -8.358 13.208 -2.098 1.00 0.00 C ATOM 690 CG GLU A 46 -9.812 12.751 -1.965 1.00 0.00 C ATOM 691 CD GLU A 46 -10.775 13.843 -2.435 1.00 0.00 C ATOM 692 OE1 GLU A 46 -11.078 14.728 -1.606 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.187 13.768 -3.613 1.00 0.00 O ATOM 0 H GLU A 46 -8.457 10.731 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.986 12.562 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.868 13.161 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.328 14.249 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.968 11.846 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.024 12.497 -0.926 1.00 0.00 H new ATOM 700 N GLU A 47 -5.465 12.282 -1.983 1.00 0.00 N ATOM 701 CA GLU A 47 -4.040 12.521 -1.827 1.00 0.00 C ATOM 702 C GLU A 47 -3.283 12.041 -3.066 1.00 0.00 C ATOM 703 O GLU A 47 -2.478 12.780 -3.631 1.00 0.00 O ATOM 704 CB GLU A 47 -3.506 11.846 -0.562 1.00 0.00 C ATOM 705 CG GLU A 47 -3.687 12.749 0.660 1.00 0.00 C ATOM 706 CD GLU A 47 -2.671 13.893 0.651 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.192 14.218 -0.457 1.00 0.00 O ATOM 708 OE2 GLU A 47 -2.397 14.418 1.752 1.00 0.00 O ATOM 0 H GLU A 47 -5.908 11.816 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.881 13.594 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.027 10.902 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.450 11.609 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.698 13.156 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.571 12.162 1.571 1.00 0.00 H new ATOM 715 N ILE A 48 -3.567 10.806 -3.453 1.00 0.00 N ATOM 716 CA ILE A 48 -2.923 10.219 -4.615 1.00 0.00 C ATOM 717 C ILE A 48 -3.227 11.073 -5.848 1.00 0.00 C ATOM 718 O ILE A 48 -2.324 11.412 -6.610 1.00 0.00 O ATOM 719 CB ILE A 48 -3.329 8.751 -4.769 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.011 7.959 -3.499 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.683 8.130 -6.009 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.846 6.679 -3.428 1.00 0.00 C ATOM 0 H ILE A 48 -4.235 10.196 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.840 10.215 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.408 8.708 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.951 7.707 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.209 8.576 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.988 7.087 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.002 8.675 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.598 8.185 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.601 6.135 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.905 6.935 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.628 6.054 -4.294 1.00 0.00 H new ATOM 734 N GLU A 49 -4.503 11.396 -6.005 1.00 0.00 N ATOM 735 CA GLU A 49 -4.937 12.203 -7.131 1.00 0.00 C ATOM 736 C GLU A 49 -4.300 13.593 -7.065 1.00 0.00 C ATOM 737 O GLU A 49 -4.078 14.228 -8.095 1.00 0.00 O ATOM 738 CB GLU A 49 -6.463 12.302 -7.180 1.00 0.00 C ATOM 739 CG GLU A 49 -7.092 10.937 -7.468 1.00 0.00 C ATOM 740 CD GLU A 49 -7.377 10.769 -8.962 1.00 0.00 C ATOM 741 OE1 GLU A 49 -6.458 11.075 -9.753 1.00 0.00 O ATOM 742 OE2 GLU A 49 -8.507 10.340 -9.279 1.00 0.00 O ATOM 0 H GLU A 49 -5.250 11.113 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.608 11.716 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.837 12.686 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.760 13.013 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.423 10.146 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.019 10.833 -6.903 1.00 0.00 H new ATOM 749 N LYS A 50 -4.024 14.025 -5.843 1.00 0.00 N ATOM 750 CA LYS A 50 -3.416 15.327 -5.629 1.00 0.00 C ATOM 751 C LYS A 50 -1.898 15.208 -5.775 1.00 0.00 C ATOM 752 O LYS A 50 -1.224 16.183 -6.102 1.00 0.00 O ATOM 753 CB LYS A 50 -3.861 15.912 -4.287 1.00 0.00 C ATOM 754 CG LYS A 50 -2.706 15.921 -3.284 1.00 0.00 C ATOM 755 CD LYS A 50 -3.183 16.375 -1.903 1.00 0.00 C ATOM 756 CE LYS A 50 -4.089 17.603 -2.011 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.930 18.472 -0.824 1.00 0.00 N ATOM 0 H LYS A 50 -4.210 13.496 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.754 16.034 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.229 16.928 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.690 15.327 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.273 14.923 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.918 16.586 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.722 15.563 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.323 16.608 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.846 18.163 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.129 17.288 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.552 19.300 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.184 17.940 0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.941 18.788 -0.755 1.00 0.00 H new ATOM 771 N SER A 51 -1.405 14.003 -5.526 1.00 0.00 N ATOM 772 CA SER A 51 0.021 13.744 -5.626 1.00 0.00 C ATOM 773 C SER A 51 0.454 13.753 -7.093 1.00 0.00 C ATOM 774 O SER A 51 -0.216 13.172 -7.945 1.00 0.00 O ATOM 775 CB SER A 51 0.385 12.408 -4.974 1.00 0.00 C ATOM 776 OG SER A 51 1.512 12.524 -4.110 1.00 0.00 O ATOM 0 H SER A 51 -1.968 13.196 -5.255 1.00 0.00 H new ATOM 0 HA SER A 51 0.550 14.534 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.469 12.037 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.597 11.672 -5.750 1.00 0.00 H new ATOM 0 HG SER A 51 2.314 12.203 -4.573 1.00 0.00 H new ATOM 782 N LYS A 52 1.571 14.421 -7.343 1.00 0.00 N ATOM 783 CA LYS A 52 2.100 14.514 -8.693 1.00 0.00 C ATOM 784 C LYS A 52 3.123 13.397 -8.914 1.00 0.00 C ATOM 785 O LYS A 52 4.077 13.565 -9.672 1.00 0.00 O ATOM 786 CB LYS A 52 2.655 15.916 -8.956 1.00 0.00 C ATOM 787 CG LYS A 52 3.270 16.009 -10.353 1.00 0.00 C ATOM 788 CD LYS A 52 2.807 17.278 -11.073 1.00 0.00 C ATOM 789 CE LYS A 52 3.964 17.931 -11.831 1.00 0.00 C ATOM 790 NZ LYS A 52 4.246 17.193 -13.082 1.00 0.00 N ATOM 0 H LYS A 52 2.124 14.903 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 52 1.305 14.368 -9.424 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.857 16.652 -8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.408 16.159 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.357 16.006 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.989 15.132 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.004 17.033 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.398 17.983 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.717 18.967 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.855 17.948 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.034 17.650 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.502 16.211 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.400 17.199 -13.687 1.00 0.00 H new ATOM 804 N ALA A 53 2.889 12.283 -8.237 1.00 0.00 N ATOM 805 CA ALA A 53 3.778 11.139 -8.349 1.00 0.00 C ATOM 806 C ALA A 53 3.038 9.989 -9.037 1.00 0.00 C ATOM 807 O ALA A 53 1.810 9.926 -8.999 1.00 0.00 O ATOM 808 CB ALA A 53 4.292 10.753 -6.960 1.00 0.00 C ATOM 0 H ALA A 53 2.097 12.148 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 53 4.646 11.386 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.959 9.895 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.835 11.593 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.449 10.496 -6.319 1.00 0.00 H new ATOM 814 N ASN A 54 3.817 9.109 -9.649 1.00 0.00 N ATOM 815 CA ASN A 54 3.251 7.966 -10.344 1.00 0.00 C ATOM 816 C ASN A 54 3.504 6.699 -9.524 1.00 0.00 C ATOM 817 O ASN A 54 2.844 5.681 -9.728 1.00 0.00 O ATOM 818 CB ASN A 54 3.902 7.778 -11.716 1.00 0.00 C ATOM 819 CG ASN A 54 5.411 8.022 -11.645 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.877 9.118 -11.380 1.00 0.00 O ATOM 821 ND2 ASN A 54 6.146 6.943 -11.896 1.00 0.00 N ATOM 0 H ASN A 54 4.835 9.165 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 54 2.183 8.144 -10.472 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.710 6.768 -12.078 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.452 8.465 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.164 7.003 -11.873 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.692 6.055 -12.111 1.00 0.00 H new ATOM 828 N HIS A 55 4.461 6.804 -8.613 1.00 0.00 N ATOM 829 CA HIS A 55 4.809 5.679 -7.761 1.00 0.00 C ATOM 830 C HIS A 55 4.126 5.836 -6.401 1.00 0.00 C ATOM 831 O HIS A 55 4.169 6.909 -5.801 1.00 0.00 O ATOM 832 CB HIS A 55 6.328 5.532 -7.649 1.00 0.00 C ATOM 833 CG HIS A 55 6.795 4.107 -7.471 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.997 3.644 -7.977 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.210 3.050 -6.837 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.120 2.364 -7.657 1.00 0.00 C ATOM 837 NE2 HIS A 55 7.011 1.998 -6.951 1.00 0.00 N ATOM 0 H HIS A 55 5.006 7.650 -8.446 1.00 0.00 H new ATOM 0 HA HIS A 55 4.445 4.753 -8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.790 5.946 -8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.679 6.127 -6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.257 3.067 -6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.952 1.723 -7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.828 1.069 -6.573 1.00 0.00 H new ATOM 845 N PHE A 56 3.513 4.750 -5.954 1.00 0.00 N ATOM 846 CA PHE A 56 2.822 4.753 -4.676 1.00 0.00 C ATOM 847 C PHE A 56 3.005 3.418 -3.951 1.00 0.00 C ATOM 848 O PHE A 56 2.633 2.368 -4.473 1.00 0.00 O ATOM 849 CB PHE A 56 1.336 4.960 -4.971 1.00 0.00 C ATOM 850 CG PHE A 56 1.013 6.304 -5.628 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.019 6.416 -6.984 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.720 7.385 -4.857 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.720 7.663 -7.594 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.421 8.632 -5.467 1.00 0.00 C ATOM 855 CZ PHE A 56 0.427 8.745 -6.822 1.00 0.00 C ATOM 0 H PHE A 56 3.480 3.862 -6.454 1.00 0.00 H new ATOM 0 HA PHE A 56 3.223 5.540 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.990 4.157 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.776 4.879 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.251 5.557 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.715 7.295 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.725 7.753 -8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.189 9.491 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.199 9.693 -7.286 1.00 0.00 H new ATOM 865 N LEU A 57 3.577 3.502 -2.759 1.00 0.00 N ATOM 866 CA LEU A 57 3.814 2.313 -1.957 1.00 0.00 C ATOM 867 C LEU A 57 2.883 2.330 -0.742 1.00 0.00 C ATOM 868 O LEU A 57 2.372 3.382 -0.362 1.00 0.00 O ATOM 869 CB LEU A 57 5.296 2.198 -1.594 1.00 0.00 C ATOM 870 CG LEU A 57 6.186 1.500 -2.625 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.729 2.500 -3.647 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.305 0.714 -1.939 1.00 0.00 C ATOM 0 H LEU A 57 3.883 4.375 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 57 3.579 1.415 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.687 3.201 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.378 1.661 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 57 5.577 0.781 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.358 1.978 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.898 2.975 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.318 3.260 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.923 0.227 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.920 1.395 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.870 -0.041 -1.284 1.00 0.00 H new ATOM 884 N ILE A 58 2.692 1.151 -0.168 1.00 0.00 N ATOM 885 CA ILE A 58 1.832 1.017 0.996 1.00 0.00 C ATOM 886 C ILE A 58 2.683 0.659 2.215 1.00 0.00 C ATOM 887 O ILE A 58 3.286 -0.413 2.263 1.00 0.00 O ATOM 888 CB ILE A 58 0.706 0.019 0.717 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.360 0.634 -0.192 1.00 0.00 C ATOM 890 CG2 ILE A 58 0.109 -0.512 2.022 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.898 -0.400 -1.183 1.00 0.00 C ATOM 0 H ILE A 58 3.118 0.281 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 58 1.340 1.964 1.218 1.00 0.00 H new ATOM 0 HB ILE A 58 1.129 -0.833 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.179 1.023 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.064 1.478 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.689 -1.219 1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.885 -1.014 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.295 0.318 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.654 0.063 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.081 -0.769 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.343 -1.231 -0.636 1.00 0.00 H new ATOM 903 N LEU A 59 2.706 1.576 3.171 1.00 0.00 N ATOM 904 CA LEU A 59 3.474 1.370 4.388 1.00 0.00 C ATOM 905 C LEU A 59 2.667 0.500 5.354 1.00 0.00 C ATOM 906 O LEU A 59 1.484 0.749 5.578 1.00 0.00 O ATOM 907 CB LEU A 59 3.906 2.712 4.982 1.00 0.00 C ATOM 908 CG LEU A 59 4.949 2.646 6.099 1.00 0.00 C ATOM 909 CD1 LEU A 59 6.308 2.201 5.555 1.00 0.00 C ATOM 910 CD2 LEU A 59 5.039 3.979 6.845 1.00 0.00 C ATOM 0 H LEU A 59 2.205 2.464 3.128 1.00 0.00 H new ATOM 0 HA LEU A 59 4.397 0.833 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.302 3.332 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.021 3.218 5.368 1.00 0.00 H new ATOM 0 HG LEU A 59 4.629 1.894 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.031 2.162 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.214 1.212 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.648 2.911 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.788 3.905 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.323 4.767 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.070 4.216 7.285 1.00 0.00 H new ATOM 922 N PHE A 60 3.340 -0.502 5.900 1.00 0.00 N ATOM 923 CA PHE A 60 2.701 -1.410 6.837 1.00 0.00 C ATOM 924 C PHE A 60 3.275 -1.239 8.245 1.00 0.00 C ATOM 925 O PHE A 60 4.490 -1.146 8.417 1.00 0.00 O ATOM 926 CB PHE A 60 2.989 -2.831 6.350 1.00 0.00 C ATOM 927 CG PHE A 60 2.533 -3.102 4.915 1.00 0.00 C ATOM 928 CD1 PHE A 60 3.285 -2.667 3.869 1.00 0.00 C ATOM 929 CD2 PHE A 60 1.375 -3.778 4.686 1.00 0.00 C ATOM 930 CE1 PHE A 60 2.861 -2.918 2.537 1.00 0.00 C ATOM 931 CE2 PHE A 60 0.952 -4.030 3.354 1.00 0.00 C ATOM 932 CZ PHE A 60 1.704 -3.594 2.308 1.00 0.00 C ATOM 0 H PHE A 60 4.322 -0.705 5.711 1.00 0.00 H new ATOM 0 HA PHE A 60 1.631 -1.205 6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.060 -3.018 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.497 -3.539 7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.205 -2.131 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.778 -4.123 5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.458 -2.572 1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.033 -4.568 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.382 -3.785 1.295 1.00 0.00 H new ATOM 942 N ARG A 61 2.375 -1.203 9.217 1.00 0.00 N ATOM 943 CA ARG A 61 2.777 -1.045 10.604 1.00 0.00 C ATOM 944 C ARG A 61 3.938 -1.987 10.930 1.00 0.00 C ATOM 945 O ARG A 61 4.817 -1.644 11.721 1.00 0.00 O ATOM 946 CB ARG A 61 1.612 -1.336 11.552 1.00 0.00 C ATOM 947 CG ARG A 61 1.694 -0.463 12.805 1.00 0.00 C ATOM 948 CD ARG A 61 2.481 -1.166 13.913 1.00 0.00 C ATOM 949 NE ARG A 61 1.565 -1.975 14.749 1.00 0.00 N ATOM 950 CZ ARG A 61 1.922 -2.566 15.897 1.00 0.00 C ATOM 951 NH1 ARG A 61 3.176 -2.443 16.353 1.00 0.00 N ATOM 952 NH2 ARG A 61 1.024 -3.281 16.590 1.00 0.00 N ATOM 0 H ARG A 61 1.368 -1.281 9.071 1.00 0.00 H new ATOM 0 HA ARG A 61 3.093 -0.011 10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.667 -1.155 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.624 -2.388 11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.172 0.486 12.561 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.689 -0.232 13.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.248 -1.805 13.476 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.994 -0.428 14.530 1.00 0.00 H new ATOM 0 HE ARG A 61 0.603 -2.089 14.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.859 -1.899 15.826 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.447 -2.893 17.227 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.069 -3.375 16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.295 -3.731 17.464 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.687 -5.391 6.686 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.469 -4.223 7.054 1.00 0.00 C ATOM 1013 C GLN A 66 -1.750 -2.944 6.619 1.00 0.00 C ATOM 1014 O GLN A 66 -0.544 -2.808 6.818 1.00 0.00 O ATOM 1015 CB GLN A 66 -2.757 -4.206 8.556 1.00 0.00 C ATOM 1016 CG GLN A 66 -1.476 -3.959 9.357 1.00 0.00 C ATOM 1017 CD GLN A 66 -1.597 -4.526 10.773 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -1.670 -5.725 10.985 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -1.615 -3.599 11.727 1.00 0.00 N ATOM 0 HA GLN A 66 -3.426 -4.273 6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.487 -3.428 8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.200 -5.156 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.630 -4.420 8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.274 -2.889 9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.550 -2.612 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.694 -3.876 12.706 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.521 -2.040 6.034 1.00 0.00 N ATOM 1029 CA PHE A 67 -1.973 -0.777 5.569 1.00 0.00 C ATOM 1030 C PHE A 67 -1.891 0.238 6.711 1.00 0.00 C ATOM 1031 O PHE A 67 -2.848 0.411 7.463 1.00 0.00 O ATOM 1032 CB PHE A 67 -2.924 -0.244 4.496 1.00 0.00 C ATOM 1033 CG PHE A 67 -2.738 1.242 4.182 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.147 2.182 5.075 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.163 1.622 3.009 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.974 3.561 4.783 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -1.990 3.001 2.718 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.399 3.941 3.611 1.00 0.00 C ATOM 0 H PHE A 67 -3.521 -2.157 5.871 1.00 0.00 H new ATOM 0 HA PHE A 67 -0.966 -0.929 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.782 -0.819 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.951 -0.410 4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.603 1.880 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.838 0.875 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.299 4.308 5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.533 3.303 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.267 4.990 3.389 1.00 0.00 H new ATOM 1048 N ARG A 68 -0.737 0.884 6.804 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.518 1.877 7.842 1.00 0.00 C ATOM 1050 C ARG A 68 -0.667 3.287 7.266 1.00 0.00 C ATOM 1051 O ARG A 68 -1.339 4.133 7.853 1.00 0.00 O ATOM 1052 CB ARG A 68 0.874 1.730 8.459 1.00 0.00 C ATOM 1053 CG ARG A 68 0.936 2.396 9.836 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.075 1.767 10.796 1.00 0.00 C ATOM 1055 NE ARG A 68 -1.069 2.778 11.218 1.00 0.00 N ATOM 1056 CZ ARG A 68 -0.829 3.734 12.127 1.00 0.00 C ATOM 1057 NH1 ARG A 68 0.373 3.813 12.714 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -1.791 4.609 12.449 1.00 0.00 N ATOM 0 H ARG A 68 0.055 0.739 6.178 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.266 1.717 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.126 0.673 8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.617 2.179 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.941 2.298 10.246 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.734 3.463 9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.578 0.931 10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.441 1.366 11.668 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.995 2.746 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.105 3.146 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.556 4.540 13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.706 4.548 12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.608 5.336 13.141 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.027 3.497 6.125 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.080 4.789 5.464 1.00 0.00 C ATOM 1074 C ALA A 69 0.404 4.639 4.020 1.00 0.00 C ATOM 1075 O ALA A 69 1.072 3.663 3.684 1.00 0.00 O ATOM 1076 CB ALA A 69 0.750 5.802 6.255 1.00 0.00 C ATOM 0 H ALA A 69 0.531 2.793 5.642 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.104 5.161 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.710 6.772 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.347 5.894 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.785 5.463 6.307 1.00 0.00 H new ATOM 1082 N LEU A 70 0.047 5.621 3.205 1.00 0.00 N ATOM 1083 CA LEU A 70 0.437 5.610 1.805 1.00 0.00 C ATOM 1084 C LEU A 70 1.680 6.483 1.620 1.00 0.00 C ATOM 1085 O LEU A 70 1.921 7.400 2.402 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.740 6.021 0.918 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.503 5.938 -0.591 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.320 4.486 -1.038 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -1.625 6.638 -1.361 1.00 0.00 C ATOM 0 H LEU A 70 -0.508 6.429 3.487 1.00 0.00 H new ATOM 0 HA LEU A 70 0.705 4.601 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.594 5.391 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.016 7.046 1.167 1.00 0.00 H new ATOM 0 HG LEU A 70 0.423 6.465 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.153 4.455 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.539 4.053 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.215 3.914 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.432 6.565 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.577 6.161 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.665 7.688 -1.071 1.00 0.00 H new ATOM 1101 N TYR A 71 2.437 6.165 0.580 1.00 0.00 N ATOM 1102 CA TYR A 71 3.650 6.908 0.282 1.00 0.00 C ATOM 1103 C TYR A 71 3.928 6.922 -1.223 1.00 0.00 C ATOM 1104 O TYR A 71 3.271 6.216 -1.986 1.00 0.00 O ATOM 1105 CB TYR A 71 4.784 6.166 0.991 1.00 0.00 C ATOM 1106 CG TYR A 71 4.825 6.392 2.504 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.996 5.664 3.333 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.691 7.324 3.039 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.034 5.877 4.757 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.729 7.537 4.463 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.899 6.803 5.251 1.00 0.00 C ATOM 1112 OH TYR A 71 4.935 7.004 6.596 1.00 0.00 O ATOM 0 H TYR A 71 2.234 5.403 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 71 3.557 7.943 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.684 5.098 0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.735 6.481 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.319 4.935 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.340 7.893 2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.391 5.314 5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.402 8.263 4.895 1.00 0.00 H new ATOM 0 HH TYR A 71 4.142 6.602 7.008 1.00 0.00 H new ATOM 1122 N THR A 72 4.904 7.734 -1.604 1.00 0.00 N ATOM 1123 CA THR A 72 5.277 7.849 -3.003 1.00 0.00 C ATOM 1124 C THR A 72 6.797 7.768 -3.158 1.00 0.00 C ATOM 1125 O THR A 72 7.535 8.449 -2.447 1.00 0.00 O ATOM 1126 CB THR A 72 4.680 9.149 -3.547 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.824 10.073 -2.472 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.167 9.055 -3.757 1.00 0.00 C ATOM 0 H THR A 72 5.447 8.318 -0.968 1.00 0.00 H new ATOM 0 HA THR A 72 4.877 7.021 -3.588 1.00 0.00 H new ATOM 0 HB THR A 72 5.163 9.403 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.464 10.944 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.794 10.003 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.947 8.260 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.681 8.834 -2.807 1.00 0.00 H new ATOM 1136 N LEU A 73 7.221 6.928 -4.092 1.00 0.00 N ATOM 1137 CA LEU A 73 8.640 6.749 -4.349 1.00 0.00 C ATOM 1138 C LEU A 73 9.160 7.935 -5.163 1.00 0.00 C ATOM 1139 O LEU A 73 8.543 8.333 -6.150 1.00 0.00 O ATOM 1140 CB LEU A 73 8.898 5.391 -5.006 1.00 0.00 C ATOM 1141 CG LEU A 73 10.331 5.136 -5.477 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.345 5.673 -4.466 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.552 3.653 -5.779 1.00 0.00 C ATOM 0 H LEU A 73 6.607 6.364 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 73 9.198 6.736 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.625 4.609 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.232 5.292 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 73 10.487 5.681 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.355 5.478 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.204 6.747 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.200 5.177 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.578 3.498 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.371 3.067 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.865 3.335 -6.563 1.00 0.00 H new ATOM 1155 N SER A 74 10.290 8.466 -4.720 1.00 0.00 N ATOM 1156 CA SER A 74 10.900 9.598 -5.396 1.00 0.00 C ATOM 1157 C SER A 74 11.634 9.125 -6.653 1.00 0.00 C ATOM 1158 O SER A 74 12.684 8.492 -6.561 1.00 0.00 O ATOM 1159 CB SER A 74 11.864 10.340 -4.467 1.00 0.00 C ATOM 1160 OG SER A 74 11.181 10.986 -3.396 1.00 0.00 O ATOM 0 H SER A 74 10.799 8.133 -3.901 1.00 0.00 H new ATOM 0 HA SER A 74 10.109 10.290 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.591 9.636 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.422 11.080 -5.040 1.00 0.00 H new ATOM 0 HG SER A 74 11.830 11.447 -2.825 1.00 0.00 H new ATOM 1166 N GLY A 75 11.050 9.450 -7.797 1.00 0.00 N ATOM 1167 CA GLY A 75 11.635 9.066 -9.071 1.00 0.00 C ATOM 1168 C GLY A 75 13.028 9.676 -9.241 1.00 0.00 C ATOM 1169 O GLY A 75 13.852 9.152 -9.987 1.00 0.00 O ATOM 0 H GLY A 75 10.178 9.975 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.700 7.980 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.989 9.394 -9.885 1.00 0.00 H new ATOM 1173 N GLU A 76 13.246 10.777 -8.536 1.00 0.00 N ATOM 1174 CA GLU A 76 14.524 11.465 -8.600 1.00 0.00 C ATOM 1175 C GLU A 76 15.614 10.624 -7.932 1.00 0.00 C ATOM 1176 O GLU A 76 16.777 10.681 -8.328 1.00 0.00 O ATOM 1177 CB GLU A 76 14.433 12.852 -7.961 1.00 0.00 C ATOM 1178 CG GLU A 76 14.004 12.753 -6.496 1.00 0.00 C ATOM 1179 CD GLU A 76 12.668 13.462 -6.266 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.702 14.704 -6.127 1.00 0.00 O ATOM 1181 OE2 GLU A 76 11.644 12.747 -6.235 1.00 0.00 O ATOM 0 H GLU A 76 12.559 11.209 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 76 14.789 11.601 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.400 13.351 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.719 13.464 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.918 11.705 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.769 13.196 -5.859 1.00 0.00 H new ATOM 1188 N THR A 77 15.198 9.862 -6.931 1.00 0.00 N ATOM 1189 CA THR A 77 16.124 9.010 -6.205 1.00 0.00 C ATOM 1190 C THR A 77 15.476 7.659 -5.896 1.00 0.00 C ATOM 1191 O THR A 77 14.683 7.152 -6.687 1.00 0.00 O ATOM 1192 CB THR A 77 16.580 9.765 -4.955 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.433 9.763 -4.110 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.838 11.248 -5.228 1.00 0.00 C ATOM 0 H THR A 77 14.232 9.817 -6.606 1.00 0.00 H new ATOM 0 HA THR A 77 17.005 8.783 -6.805 1.00 0.00 H new ATOM 0 HB THR A 77 17.487 9.304 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.641 10.231 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.159 11.737 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.617 11.349 -5.983 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.922 11.717 -5.587 1.00 0.00 H new ATOM 1202 N GLU A 78 15.838 7.115 -4.743 1.00 0.00 N ATOM 1203 CA GLU A 78 15.301 5.833 -4.320 1.00 0.00 C ATOM 1204 C GLU A 78 14.477 5.998 -3.042 1.00 0.00 C ATOM 1205 O GLU A 78 13.863 5.044 -2.567 1.00 0.00 O ATOM 1206 CB GLU A 78 16.420 4.808 -4.121 1.00 0.00 C ATOM 1207 CG GLU A 78 17.182 4.568 -5.427 1.00 0.00 C ATOM 1208 CD GLU A 78 18.222 3.459 -5.258 1.00 0.00 C ATOM 1209 OE1 GLU A 78 19.262 3.747 -4.627 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.954 2.348 -5.765 1.00 0.00 O ATOM 0 H GLU A 78 16.496 7.539 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 78 14.646 5.459 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.109 5.161 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.998 3.868 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.481 4.297 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.674 5.489 -5.740 1.00 0.00 H new ATOM 1217 N GLU A 79 14.489 7.217 -2.521 1.00 0.00 N ATOM 1218 CA GLU A 79 13.750 7.519 -1.308 1.00 0.00 C ATOM 1219 C GLU A 79 12.264 7.705 -1.623 1.00 0.00 C ATOM 1220 O GLU A 79 11.895 7.946 -2.771 1.00 0.00 O ATOM 1221 CB GLU A 79 14.321 8.756 -0.612 1.00 0.00 C ATOM 1222 CG GLU A 79 15.670 8.444 0.041 1.00 0.00 C ATOM 1223 CD GLU A 79 16.759 8.252 -1.016 1.00 0.00 C ATOM 1224 OE1 GLU A 79 17.261 9.286 -1.508 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.066 7.076 -1.307 1.00 0.00 O ATOM 0 H GLU A 79 14.999 8.006 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 79 13.854 6.677 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.441 9.562 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.620 9.108 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.949 9.256 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.584 7.543 0.648 1.00 0.00 H new ATOM 1232 N LEU A 80 11.452 7.586 -0.583 1.00 0.00 N ATOM 1233 CA LEU A 80 10.015 7.737 -0.735 1.00 0.00 C ATOM 1234 C LEU A 80 9.581 9.076 -0.136 1.00 0.00 C ATOM 1235 O LEU A 80 10.421 9.897 0.230 1.00 0.00 O ATOM 1236 CB LEU A 80 9.283 6.532 -0.141 1.00 0.00 C ATOM 1237 CG LEU A 80 9.472 5.203 -0.876 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.965 4.114 0.078 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.190 4.792 -1.603 1.00 0.00 C ATOM 0 H LEU A 80 11.762 7.387 0.368 1.00 0.00 H new ATOM 0 HA LEU A 80 9.744 7.756 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.612 6.404 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.217 6.759 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 80 10.243 5.338 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.091 3.180 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.920 4.413 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.236 3.971 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.351 3.845 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.382 4.680 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.922 5.559 -2.330 1.00 0.00 H new ATOM 1251 N SER A 81 8.271 9.256 -0.054 1.00 0.00 N ATOM 1252 CA SER A 81 7.716 10.481 0.495 1.00 0.00 C ATOM 1253 C SER A 81 6.392 10.185 1.202 1.00 0.00 C ATOM 1254 O SER A 81 5.560 9.442 0.683 1.00 0.00 O ATOM 1255 CB SER A 81 7.512 11.531 -0.599 1.00 0.00 C ATOM 1256 OG SER A 81 6.881 12.707 -0.098 1.00 0.00 O ATOM 0 H SER A 81 7.577 8.573 -0.359 1.00 0.00 H new ATOM 0 HA SER A 81 8.424 10.883 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.476 11.794 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.906 11.107 -1.400 1.00 0.00 H new ATOM 0 HG SER A 81 6.770 13.354 -0.826 1.00 0.00 H new ATOM 1262 N ARG A 82 6.237 10.782 2.374 1.00 0.00 N ATOM 1263 CA ARG A 82 5.028 10.592 3.157 1.00 0.00 C ATOM 1264 C ARG A 82 3.854 11.327 2.507 1.00 0.00 C ATOM 1265 O ARG A 82 3.736 12.545 2.628 1.00 0.00 O ATOM 1266 CB ARG A 82 5.212 11.103 4.587 1.00 0.00 C ATOM 1267 CG ARG A 82 4.033 10.692 5.472 1.00 0.00 C ATOM 1268 CD ARG A 82 3.995 11.524 6.756 1.00 0.00 C ATOM 1269 NE ARG A 82 2.599 11.897 7.076 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.887 12.800 6.388 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.435 13.428 5.338 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.627 13.076 6.750 1.00 0.00 N ATOM 0 H ARG A 82 6.929 11.398 2.801 1.00 0.00 H new ATOM 0 HA ARG A 82 4.819 9.523 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.139 10.707 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.305 12.189 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.100 10.820 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.113 9.634 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.426 10.956 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.602 12.422 6.636 1.00 0.00 H new ATOM 0 HE ARG A 82 2.151 11.438 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.394 13.219 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.892 14.115 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.210 12.599 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.085 13.763 6.226 1.00 0.00 H new ATOM 1286 N LEU A 83 3.015 10.555 1.832 1.00 0.00 N ATOM 1287 CA LEU A 83 1.854 11.117 1.163 1.00 0.00 C ATOM 1288 C LEU A 83 0.800 11.491 2.207 1.00 0.00 C ATOM 1289 O LEU A 83 0.445 12.661 2.344 1.00 0.00 O ATOM 1290 CB LEU A 83 1.340 10.159 0.087 1.00 0.00 C ATOM 1291 CG LEU A 83 0.274 10.720 -0.857 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.712 12.063 -1.443 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.081 9.707 -1.947 1.00 0.00 C ATOM 0 H LEU A 83 3.116 9.545 1.734 1.00 0.00 H new ATOM 0 HA LEU A 83 2.124 12.034 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.189 9.827 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.933 9.276 0.579 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.632 10.902 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.064 12.439 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.874 12.777 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.639 11.931 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.841 10.131 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.810 9.470 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.466 8.797 -1.487 1.00 0.00 H new ATOM 1305 N ALA A 84 0.331 10.476 2.918 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.675 10.684 3.945 1.00 0.00 C ATOM 1307 C ALA A 84 -0.626 9.525 4.942 1.00 0.00 C ATOM 1308 O ALA A 84 0.152 8.588 4.773 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.050 10.834 3.291 1.00 0.00 C ATOM 0 H ALA A 84 0.629 9.507 2.803 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.476 11.602 4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.805 10.990 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.040 11.689 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.286 9.930 2.730 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.469 9.626 5.960 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.532 8.597 6.984 1.00 0.00 C ATOM 1317 C GLY A 85 -0.804 9.042 8.254 1.00 0.00 C ATOM 1318 O GLY A 85 -1.304 9.885 8.997 1.00 0.00 O ATOM 0 H GLY A 85 -2.114 10.404 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.573 8.374 7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.085 7.677 6.608 1.00 0.00 H new ATOM 1322 N TYR A 86 0.366 8.456 8.464 1.00 0.00 N ATOM 1323 CA TYR A 86 1.168 8.782 9.631 1.00 0.00 C ATOM 1324 C TYR A 86 2.427 7.915 9.691 1.00 0.00 C ATOM 1325 O TYR A 86 2.345 6.689 9.625 1.00 0.00 O ATOM 1326 CB TYR A 86 0.291 8.470 10.845 1.00 0.00 C ATOM 1327 CG TYR A 86 1.060 8.399 12.166 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.450 9.560 12.801 1.00 0.00 C ATOM 1329 CD2 TYR A 86 1.363 7.172 12.723 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.174 9.492 14.044 1.00 0.00 C ATOM 1331 CE2 TYR A 86 2.086 7.105 13.966 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.456 8.268 14.565 1.00 0.00 C ATOM 1333 OH TYR A 86 3.140 8.205 15.739 1.00 0.00 O ATOM 0 H TYR A 86 0.778 7.757 7.845 1.00 0.00 H new ATOM 0 HA TYR A 86 1.485 9.825 9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.483 9.233 10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.216 7.519 10.680 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.212 10.520 12.366 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.058 6.263 12.226 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.486 10.393 14.551 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.329 6.152 14.413 1.00 0.00 H new ATOM 0 HH TYR A 86 3.270 7.267 15.992 1.00 0.00 H new ATOM 1343 N GLY A 87 3.563 8.586 9.814 1.00 0.00 N ATOM 1344 CA GLY A 87 4.838 7.892 9.883 1.00 0.00 C ATOM 1345 C GLY A 87 5.999 8.852 9.619 1.00 0.00 C ATOM 1346 O GLY A 87 5.894 10.048 9.886 1.00 0.00 O ATOM 0 H GLY A 87 3.627 9.603 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.955 7.436 10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.856 7.084 9.152 1.00 0.00 H new ATOM 1350 N PRO A 88 7.109 8.277 9.083 1.00 0.00 N ATOM 1351 CA PRO A 88 8.290 9.068 8.779 1.00 0.00 C ATOM 1352 C PRO A 88 8.076 9.910 7.520 1.00 0.00 C ATOM 1353 O PRO A 88 7.762 9.376 6.457 1.00 0.00 O ATOM 1354 CB PRO A 88 9.415 8.057 8.633 1.00 0.00 C ATOM 1355 CG PRO A 88 8.741 6.714 8.401 1.00 0.00 C ATOM 1356 CD PRO A 88 7.270 6.864 8.754 1.00 0.00 C ATOM 0 HA PRO A 88 8.523 9.792 9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.067 8.316 7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.037 8.033 9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.855 6.404 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.205 5.943 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.631 6.577 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.998 6.228 9.596 1.00 0.00 H new ATOM 1364 N ARG A 89 8.254 11.213 7.680 1.00 0.00 N ATOM 1365 CA ARG A 89 8.085 12.134 6.570 1.00 0.00 C ATOM 1366 C ARG A 89 8.614 11.510 5.277 1.00 0.00 C ATOM 1367 O ARG A 89 7.987 11.627 4.225 1.00 0.00 O ATOM 1368 CB ARG A 89 8.819 13.451 6.829 1.00 0.00 C ATOM 1369 CG ARG A 89 8.448 14.502 5.781 1.00 0.00 C ATOM 1370 CD ARG A 89 8.271 15.879 6.423 1.00 0.00 C ATOM 1371 NE ARG A 89 7.153 16.600 5.774 1.00 0.00 N ATOM 1372 CZ ARG A 89 7.261 17.270 4.618 1.00 0.00 C ATOM 1373 NH1 ARG A 89 8.437 17.314 3.977 1.00 0.00 N ATOM 1374 NH2 ARG A 89 6.193 17.895 4.104 1.00 0.00 N ATOM 0 H ARG A 89 8.514 11.653 8.563 1.00 0.00 H new ATOM 0 HA ARG A 89 7.019 12.339 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.570 13.821 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.895 13.281 6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.225 14.550 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.526 14.210 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.074 15.770 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.191 16.455 6.327 1.00 0.00 H new ATOM 0 HE ARG A 89 6.243 16.586 6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.249 16.838 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.520 17.824 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.298 17.861 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.275 18.405 3.224 1.00 0.00 H new ATOM 1388 N THR A 90 9.763 10.861 5.398 1.00 0.00 N ATOM 1389 CA THR A 90 10.383 10.218 4.252 1.00 0.00 C ATOM 1390 C THR A 90 10.916 8.837 4.639 1.00 0.00 C ATOM 1391 O THR A 90 10.976 8.499 5.821 1.00 0.00 O ATOM 1392 CB THR A 90 11.464 11.156 3.711 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.745 12.085 2.904 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.406 10.459 2.728 1.00 0.00 C ATOM 0 H THR A 90 10.281 10.767 6.272 1.00 0.00 H new ATOM 0 HA THR A 90 9.658 10.041 3.458 1.00 0.00 H new ATOM 0 HB THR A 90 12.042 11.561 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.370 12.732 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.154 11.169 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.903 9.628 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.834 10.083 1.880 1.00 0.00 H new ATOM 1402 N VAL A 91 11.290 8.076 3.621 1.00 0.00 N ATOM 1403 CA VAL A 91 11.816 6.739 3.840 1.00 0.00 C ATOM 1404 C VAL A 91 13.003 6.503 2.904 1.00 0.00 C ATOM 1405 O VAL A 91 13.005 6.975 1.768 1.00 0.00 O ATOM 1406 CB VAL A 91 10.703 5.704 3.668 1.00 0.00 C ATOM 1407 CG1 VAL A 91 11.278 4.289 3.583 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.675 5.811 4.796 1.00 0.00 C ATOM 0 H VAL A 91 11.239 8.360 2.643 1.00 0.00 H new ATOM 0 HA VAL A 91 12.182 6.635 4.861 1.00 0.00 H new ATOM 0 HB VAL A 91 10.192 5.915 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.465 3.573 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.953 4.221 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.826 4.063 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.895 5.064 4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.166 5.639 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.230 6.806 4.790 1.00 0.00 H new ATOM 1418 N THR A 92 13.983 5.771 3.415 1.00 0.00 N ATOM 1419 CA THR A 92 15.172 5.467 2.638 1.00 0.00 C ATOM 1420 C THR A 92 15.322 3.954 2.463 1.00 0.00 C ATOM 1421 O THR A 92 14.702 3.178 3.188 1.00 0.00 O ATOM 1422 CB THR A 92 16.369 6.120 3.331 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.444 5.460 4.591 1.00 0.00 O ATOM 1424 CG2 THR A 92 16.110 7.584 3.692 1.00 0.00 C ATOM 0 H THR A 92 13.977 5.380 4.357 1.00 0.00 H new ATOM 0 HA THR A 92 15.100 5.874 1.629 1.00 0.00 H new ATOM 0 HB THR A 92 17.243 6.055 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.196 5.822 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.991 7.999 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.898 8.150 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.257 7.647 4.367 1.00 0.00 H new ATOM 1432 N PRO A 93 16.171 3.571 1.472 1.00 0.00 N ATOM 1433 CA PRO A 93 16.411 2.166 1.194 1.00 0.00 C ATOM 1434 C PRO A 93 17.316 1.542 2.258 1.00 0.00 C ATOM 1435 O PRO A 93 17.549 0.334 2.250 1.00 0.00 O ATOM 1436 CB PRO A 93 17.024 2.139 -0.197 1.00 0.00 C ATOM 1437 CG PRO A 93 17.532 3.548 -0.455 1.00 0.00 C ATOM 1438 CD PRO A 93 16.923 4.463 0.595 1.00 0.00 C ATOM 0 HA PRO A 93 15.499 1.570 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.837 1.415 -0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 93 16.286 1.847 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.620 3.577 -0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 93 17.253 3.877 -1.456 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.694 5.002 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.274 5.211 0.140 1.00 0.00 H new ATOM 1446 N ALA A 94 17.803 2.394 3.148 1.00 0.00 N ATOM 1447 CA ALA A 94 18.677 1.942 4.217 1.00 0.00 C ATOM 1448 C ALA A 94 17.831 1.523 5.420 1.00 0.00 C ATOM 1449 O ALA A 94 18.318 0.837 6.318 1.00 0.00 O ATOM 1450 CB ALA A 94 19.675 3.049 4.563 1.00 0.00 C ATOM 0 H ALA A 94 17.609 3.395 3.151 1.00 0.00 H new ATOM 0 HA ALA A 94 19.252 1.072 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 94 20.331 2.710 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 94 20.272 3.289 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 94 19.134 3.938 4.888 1.00 0.00 H new ATOM 1456 N MET A 95 16.577 1.952 5.400 1.00 0.00 N ATOM 1457 CA MET A 95 15.658 1.630 6.478 1.00 0.00 C ATOM 1458 C MET A 95 14.680 0.533 6.055 1.00 0.00 C ATOM 1459 O MET A 95 14.138 -0.180 6.899 1.00 0.00 O ATOM 1460 CB MET A 95 14.878 2.885 6.876 1.00 0.00 C ATOM 1461 CG MET A 95 15.794 3.909 7.550 1.00 0.00 C ATOM 1462 SD MET A 95 14.862 4.883 8.720 1.00 0.00 S ATOM 1463 CE MET A 95 13.530 5.439 7.670 1.00 0.00 C ATOM 0 H MET A 95 16.176 2.520 4.654 1.00 0.00 H new ATOM 0 HA MET A 95 16.236 1.267 7.327 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.419 3.328 5.992 1.00 0.00 H new ATOM 0 HB3 MET A 95 14.068 2.615 7.554 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.612 3.399 8.059 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.242 4.559 6.798 1.00 0.00 H new ATOM 0 HE1 MET A 95 13.016 6.274 8.146 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.934 5.760 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.826 4.622 7.512 1.00 0.00 H new ATOM 1473 N VAL A 96 14.483 0.431 4.749 1.00 0.00 N ATOM 1474 CA VAL A 96 13.579 -0.568 4.204 1.00 0.00 C ATOM 1475 C VAL A 96 14.094 -1.964 4.560 1.00 0.00 C ATOM 1476 O VAL A 96 15.287 -2.239 4.439 1.00 0.00 O ATOM 1477 CB VAL A 96 13.415 -0.358 2.697 1.00 0.00 C ATOM 1478 CG1 VAL A 96 14.637 -0.873 1.935 1.00 0.00 C ATOM 1479 CG2 VAL A 96 12.132 -1.018 2.188 1.00 0.00 C ATOM 0 H VAL A 96 14.934 1.024 4.052 1.00 0.00 H new ATOM 0 HA VAL A 96 12.587 -0.466 4.643 1.00 0.00 H new ATOM 0 HB VAL A 96 13.335 0.714 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 96 14.494 -0.712 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.526 -0.337 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.763 -1.938 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.040 -0.854 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.169 -2.089 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 96 11.272 -0.582 2.697 1.00 0.00 H new ATOM 1489 N GLU A 97 13.169 -2.808 4.992 1.00 0.00 N ATOM 1490 CA GLU A 97 13.514 -4.169 5.367 1.00 0.00 C ATOM 1491 C GLU A 97 13.214 -5.129 4.214 1.00 0.00 C ATOM 1492 O GLU A 97 14.065 -5.932 3.833 1.00 0.00 O ATOM 1493 CB GLU A 97 12.775 -4.592 6.638 1.00 0.00 C ATOM 1494 CG GLU A 97 13.217 -5.984 7.092 1.00 0.00 C ATOM 1495 CD GLU A 97 14.742 -6.110 7.071 1.00 0.00 C ATOM 1496 OE1 GLU A 97 15.267 -6.474 5.997 1.00 0.00 O ATOM 1497 OE2 GLU A 97 15.348 -5.838 8.130 1.00 0.00 O ATOM 0 H GLU A 97 12.181 -2.576 5.091 1.00 0.00 H new ATOM 0 HA GLU A 97 14.583 -4.207 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.966 -3.869 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.700 -4.589 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.847 -6.177 8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.777 -6.739 6.441 1.00 0.00 H new ATOM 1504 N GLY A 98 12.002 -5.015 3.690 1.00 0.00 N ATOM 1505 CA GLY A 98 11.580 -5.863 2.589 1.00 0.00 C ATOM 1506 C GLY A 98 10.629 -5.113 1.653 1.00 0.00 C ATOM 1507 O GLY A 98 10.062 -4.088 2.029 1.00 0.00 O ATOM 0 H GLY A 98 11.299 -4.348 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.453 -6.202 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.086 -6.753 2.979 1.00 0.00 H new ATOM 1511 N ILE A 99 10.484 -5.654 0.452 1.00 0.00 N ATOM 1512 CA ILE A 99 9.611 -5.049 -0.540 1.00 0.00 C ATOM 1513 C ILE A 99 8.682 -6.119 -1.116 1.00 0.00 C ATOM 1514 O ILE A 99 9.031 -7.298 -1.146 1.00 0.00 O ATOM 1515 CB ILE A 99 10.434 -4.314 -1.600 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.798 -4.979 -1.794 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.564 -2.828 -1.260 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.566 -4.330 -2.947 1.00 0.00 C ATOM 0 H ILE A 99 10.956 -6.504 0.144 1.00 0.00 H new ATOM 0 HA ILE A 99 8.978 -4.291 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 99 9.905 -4.382 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.379 -4.900 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.663 -6.042 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.153 -2.329 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.573 -2.377 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.059 -2.717 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.532 -4.822 -3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.993 -4.432 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.721 -3.273 -2.732 1.00 0.00 H new ATOM 1530 N TYR A 100 7.517 -5.670 -1.558 1.00 0.00 N ATOM 1531 CA TYR A 100 6.534 -6.574 -2.131 1.00 0.00 C ATOM 1532 C TYR A 100 5.729 -5.883 -3.233 1.00 0.00 C ATOM 1533 O TYR A 100 5.510 -4.674 -3.181 1.00 0.00 O ATOM 1534 CB TYR A 100 5.591 -6.952 -0.987 1.00 0.00 C ATOM 1535 CG TYR A 100 6.307 -7.408 0.285 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.921 -6.481 1.102 1.00 0.00 C ATOM 1537 CD2 TYR A 100 6.340 -8.748 0.616 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.595 -6.910 2.300 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.014 -9.177 1.814 1.00 0.00 C ATOM 1540 CZ TYR A 100 7.608 -8.237 2.597 1.00 0.00 C ATOM 1541 OH TYR A 100 8.245 -8.643 3.728 1.00 0.00 O ATOM 0 H TYR A 100 7.231 -4.691 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 100 7.023 -7.442 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.962 -6.094 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.929 -7.749 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.896 -5.433 0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.860 -9.474 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.079 -6.194 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.047 -10.222 2.085 1.00 0.00 H new ATOM 0 HH TYR A 100 8.172 -9.617 3.813 1.00 0.00 H new ATOM 1551 N LYS A 101 5.312 -6.680 -4.206 1.00 0.00 N ATOM 1552 CA LYS A 101 4.536 -6.160 -5.319 1.00 0.00 C ATOM 1553 C LYS A 101 3.053 -6.456 -5.084 1.00 0.00 C ATOM 1554 O LYS A 101 2.691 -7.077 -4.085 1.00 0.00 O ATOM 1555 CB LYS A 101 5.069 -6.705 -6.645 1.00 0.00 C ATOM 1556 CG LYS A 101 4.783 -8.202 -6.777 1.00 0.00 C ATOM 1557 CD LYS A 101 6.068 -8.984 -7.057 1.00 0.00 C ATOM 1558 CE LYS A 101 6.185 -9.333 -8.542 1.00 0.00 C ATOM 1559 NZ LYS A 101 5.300 -10.470 -8.878 1.00 0.00 N ATOM 0 H LYS A 101 5.497 -7.682 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 101 4.639 -5.077 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.608 -6.169 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.143 -6.529 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.322 -8.570 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.068 -8.370 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.931 -8.394 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.078 -9.898 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.919 -8.466 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.218 -9.585 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.429 -10.727 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.539 -11.285 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.309 -10.199 -8.716 1.00 0.00 H new ATOM 1573 N TYR A 102 2.235 -5.998 -6.020 1.00 0.00 N ATOM 1574 CA TYR A 102 0.800 -6.206 -5.928 1.00 0.00 C ATOM 1575 C TYR A 102 0.274 -6.948 -7.157 1.00 0.00 C ATOM 1576 O TYR A 102 0.324 -6.428 -8.270 1.00 0.00 O ATOM 1577 CB TYR A 102 0.174 -4.811 -5.882 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.355 -4.813 -5.937 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -2.002 -4.962 -7.147 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.087 -4.666 -4.777 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.441 -4.964 -7.199 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.526 -4.668 -4.829 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.132 -4.817 -6.037 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.491 -4.819 -6.086 1.00 0.00 O ATOM 0 H TYR A 102 2.539 -5.483 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 102 0.554 -6.804 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.494 -4.310 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.557 -4.225 -6.717 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.429 -5.077 -8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.581 -4.549 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.960 -5.080 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.111 -4.554 -3.928 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.843 -5.401 -5.381 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.220 -8.154 -6.914 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.756 -8.973 -7.988 1.00 0.00 C ATOM 1596 C ASN A 103 -2.134 -8.444 -8.389 1.00 0.00 C ATOM 1597 O ASN A 103 -3.132 -8.740 -7.734 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.920 -10.428 -7.541 1.00 0.00 C ATOM 1599 CG ASN A 103 0.001 -11.353 -8.338 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.242 -11.671 -9.491 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.069 -11.767 -7.662 1.00 0.00 N ATOM 0 H ASN A 103 -0.260 -8.583 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 103 -0.060 -8.928 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.695 -10.513 -6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.956 -10.738 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.745 -12.389 -8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.213 -11.463 -6.699 1.00 0.00 H new ATOM 1608 N SER A 104 -2.144 -7.669 -9.464 1.00 0.00 N ATOM 1609 CA SER A 104 -3.384 -7.095 -9.961 1.00 0.00 C ATOM 1610 C SER A 104 -4.121 -8.115 -10.831 1.00 0.00 C ATOM 1611 O SER A 104 -5.154 -7.802 -11.420 1.00 0.00 O ATOM 1612 CB SER A 104 -3.118 -5.814 -10.754 1.00 0.00 C ATOM 1613 OG SER A 104 -4.020 -4.770 -10.398 1.00 0.00 O ATOM 0 H SER A 104 -1.314 -7.425 -10.004 1.00 0.00 H new ATOM 0 HA SER A 104 -4.009 -6.838 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.094 -5.484 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.207 -6.022 -11.820 1.00 0.00 H new ATOM 0 HG SER A 104 -3.817 -3.969 -10.925 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.560 -9.314 -10.885 1.00 0.00 N ATOM 1620 CA ASP A 105 -4.152 -10.382 -11.673 1.00 0.00 C ATOM 1621 C ASP A 105 -4.606 -11.507 -10.741 1.00 0.00 C ATOM 1622 O ASP A 105 -5.646 -12.124 -10.968 1.00 0.00 O ATOM 1623 CB ASP A 105 -3.137 -10.966 -12.658 1.00 0.00 C ATOM 1624 CG ASP A 105 -3.396 -10.629 -14.128 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -2.869 -9.586 -14.573 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -4.114 -11.422 -14.774 1.00 0.00 O ATOM 0 H ASP A 105 -2.702 -9.570 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.994 -9.966 -12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.144 -10.608 -12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.126 -12.050 -12.546 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.805 -11.739 -9.712 1.00 0.00 N ATOM 1632 CA ARG A 106 -4.112 -12.779 -8.744 1.00 0.00 C ATOM 1633 C ARG A 106 -4.802 -12.177 -7.519 1.00 0.00 C ATOM 1634 O ARG A 106 -5.331 -12.904 -6.680 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.844 -13.510 -8.300 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.481 -14.626 -9.281 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.370 -15.973 -8.564 1.00 0.00 C ATOM 1638 NE ARG A 106 -1.285 -16.779 -9.166 1.00 0.00 N ATOM 1639 CZ ARG A 106 -0.978 -18.027 -8.788 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -1.672 -18.620 -7.807 1.00 0.00 N ATOM 1641 NH2 ARG A 106 0.023 -18.683 -9.390 1.00 0.00 N ATOM 0 H ARG A 106 -2.944 -11.225 -9.527 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.779 -13.494 -9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.018 -12.802 -8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.992 -13.930 -7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.238 -14.688 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.536 -14.392 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.171 -15.815 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.316 -16.511 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.736 -16.358 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.434 -18.121 -7.348 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.438 -19.570 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.552 -18.232 -10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.256 -19.633 -9.102 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.773 -10.854 -7.454 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.389 -10.145 -6.345 1.00 0.00 C ATOM 1657 C LYS A 107 -4.695 -10.546 -5.041 1.00 0.00 C ATOM 1658 O LYS A 107 -5.353 -10.761 -4.025 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.901 -10.379 -6.333 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.519 -10.040 -7.692 1.00 0.00 C ATOM 1661 CD LYS A 107 -9.017 -10.351 -7.706 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.589 -10.227 -9.120 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.905 -9.550 -9.089 1.00 0.00 N ATOM 0 H LYS A 107 -4.332 -10.254 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.257 -9.069 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.110 -11.419 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.361 -9.767 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.361 -8.985 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.018 -10.609 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.186 -11.359 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.540 -9.668 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.899 -9.665 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.693 -11.217 -9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.279 -9.474 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.565 -10.101 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.796 -8.598 -8.684 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.375 -10.633 -5.114 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.585 -11.004 -3.952 1.00 0.00 C ATOM 1679 C ARG A 108 -1.321 -10.146 -3.874 1.00 0.00 C ATOM 1680 O ARG A 108 -1.120 -9.254 -4.697 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.188 -12.481 -4.004 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.426 -13.380 -4.029 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.801 -13.836 -2.617 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.359 -15.206 -2.660 1.00 0.00 N ATOM 1685 CZ ARG A 108 -3.644 -16.300 -2.956 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -2.339 -16.191 -3.238 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -4.234 -17.503 -2.970 1.00 0.00 N ATOM 0 H ARG A 108 -2.833 -10.453 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.198 -10.835 -3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.581 -12.667 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.573 -12.727 -3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.262 -12.841 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.236 -14.250 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.922 -13.812 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.531 -13.150 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.350 -15.325 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.890 -15.275 -3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.795 -17.024 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.228 -17.586 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.689 -18.336 -3.195 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.501 -10.445 -2.877 1.00 0.00 N ATOM 1702 CA PHE A 109 0.738 -9.712 -2.681 1.00 0.00 C ATOM 1703 C PHE A 109 1.945 -10.649 -2.747 1.00 0.00 C ATOM 1704 O PHE A 109 1.910 -11.753 -2.205 1.00 0.00 O ATOM 1705 CB PHE A 109 0.670 -9.084 -1.288 1.00 0.00 C ATOM 1706 CG PHE A 109 0.171 -7.638 -1.281 1.00 0.00 C ATOM 1707 CD1 PHE A 109 0.993 -6.632 -1.684 1.00 0.00 C ATOM 1708 CD2 PHE A 109 -1.096 -7.358 -0.871 1.00 0.00 C ATOM 1709 CE1 PHE A 109 0.529 -5.290 -1.678 1.00 0.00 C ATOM 1710 CE2 PHE A 109 -1.559 -6.015 -0.864 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.737 -5.010 -1.268 1.00 0.00 C ATOM 0 H PHE A 109 -0.671 -11.185 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 109 0.853 -8.960 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.014 -9.687 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.662 -9.118 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.999 -6.854 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.749 -8.156 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.182 -4.492 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.564 -5.792 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.090 -3.989 -1.263 1.00 0.00 H new ATOM 1721 N THR A 110 2.986 -10.175 -3.415 1.00 0.00 N ATOM 1722 CA THR A 110 4.203 -10.956 -3.559 1.00 0.00 C ATOM 1723 C THR A 110 5.415 -10.146 -3.097 1.00 0.00 C ATOM 1724 O THR A 110 5.385 -8.916 -3.105 1.00 0.00 O ATOM 1725 CB THR A 110 4.299 -11.417 -5.015 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.129 -12.208 -5.207 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.452 -12.397 -5.243 1.00 0.00 C ATOM 0 H THR A 110 3.012 -9.259 -3.863 1.00 0.00 H new ATOM 0 HA THR A 110 4.182 -11.841 -2.923 1.00 0.00 H new ATOM 0 HB THR A 110 4.425 -10.550 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.110 -12.546 -6.127 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.476 -12.693 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.395 -11.917 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.308 -13.280 -4.620 1.00 0.00 H new ATOM 1735 N GLN A 111 6.454 -10.868 -2.703 1.00 0.00 N ATOM 1736 CA GLN A 111 7.675 -10.231 -2.238 1.00 0.00 C ATOM 1737 C GLN A 111 8.662 -10.067 -3.395 1.00 0.00 C ATOM 1738 O GLN A 111 8.602 -10.807 -4.377 1.00 0.00 O ATOM 1739 CB GLN A 111 8.303 -11.023 -1.090 1.00 0.00 C ATOM 1740 CG GLN A 111 9.776 -10.652 -0.908 1.00 0.00 C ATOM 1741 CD GLN A 111 10.353 -11.296 0.354 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.225 -12.486 0.589 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.993 -10.445 1.151 1.00 0.00 N ATOM 0 H GLN A 111 6.476 -11.888 -2.696 1.00 0.00 H new ATOM 0 HA GLN A 111 7.423 -9.241 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.758 -10.826 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.215 -12.091 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.346 -10.976 -1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.877 -9.568 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.063 -9.460 0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.413 -10.777 2.019 1.00 0.00 H new ATOM 1752 N ILE A 112 9.548 -9.094 -3.242 1.00 0.00 N ATOM 1753 CA ILE A 112 10.547 -8.824 -4.262 1.00 0.00 C ATOM 1754 C ILE A 112 11.876 -9.459 -3.850 1.00 0.00 C ATOM 1755 O ILE A 112 12.231 -9.454 -2.672 1.00 0.00 O ATOM 1756 CB ILE A 112 10.642 -7.321 -4.534 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.300 -6.631 -4.279 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.166 -7.051 -5.946 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.286 -6.985 -5.368 1.00 0.00 C ATOM 0 H ILE A 112 9.595 -8.483 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 112 10.256 -9.279 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 112 11.362 -6.893 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.912 -6.930 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.443 -5.551 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.224 -5.975 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.158 -7.489 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.490 -7.496 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.341 -6.482 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.666 -6.663 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.127 -8.063 -5.381 1.00 0.00 H new ATOM 1771 N PRO A 113 12.592 -10.006 -4.868 1.00 0.00 N ATOM 1772 CA PRO A 113 13.874 -10.644 -4.623 1.00 0.00 C ATOM 1773 C PRO A 113 14.966 -9.602 -4.368 1.00 0.00 C ATOM 1774 O PRO A 113 16.099 -9.952 -4.042 1.00 0.00 O ATOM 1775 CB PRO A 113 14.136 -11.488 -5.860 1.00 0.00 C ATOM 1776 CG PRO A 113 13.225 -10.934 -6.943 1.00 0.00 C ATOM 1777 CD PRO A 113 12.202 -10.030 -6.275 1.00 0.00 C ATOM 0 HA PRO A 113 13.870 -11.264 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.182 -11.427 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.921 -12.539 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.803 -10.377 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.728 -11.745 -7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.216 -9.029 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.191 -10.417 -6.399 1.00 0.00 H new ATOM 1785 N ALA A 114 14.586 -8.343 -4.528 1.00 0.00 N ATOM 1786 CA ALA A 114 15.518 -7.248 -4.319 1.00 0.00 C ATOM 1787 C ALA A 114 15.137 -6.497 -3.042 1.00 0.00 C ATOM 1788 O ALA A 114 13.979 -6.514 -2.629 1.00 0.00 O ATOM 1789 CB ALA A 114 15.524 -6.340 -5.550 1.00 0.00 C ATOM 0 H ALA A 114 13.646 -8.057 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 114 16.532 -7.626 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.223 -5.519 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.830 -6.915 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.523 -5.939 -5.711 1.00 0.00 H new ATOM 1795 N LYS A 115 16.134 -5.853 -2.452 1.00 0.00 N ATOM 1796 CA LYS A 115 15.919 -5.097 -1.231 1.00 0.00 C ATOM 1797 C LYS A 115 15.933 -3.601 -1.553 1.00 0.00 C ATOM 1798 O LYS A 115 15.890 -2.767 -0.650 1.00 0.00 O ATOM 1799 CB LYS A 115 16.934 -5.505 -0.161 1.00 0.00 C ATOM 1800 CG LYS A 115 16.243 -6.199 1.014 1.00 0.00 C ATOM 1801 CD LYS A 115 16.353 -7.720 0.895 1.00 0.00 C ATOM 1802 CE LYS A 115 15.130 -8.305 0.187 1.00 0.00 C ATOM 1803 NZ LYS A 115 15.240 -9.778 0.095 1.00 0.00 N ATOM 0 H LYS A 115 17.093 -5.840 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 115 14.939 -5.324 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.678 -6.173 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.467 -4.623 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.693 -5.871 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.193 -5.908 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.256 -7.981 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.448 -8.160 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.224 -8.035 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.042 -7.878 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.402 -10.159 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.094 -10.029 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.302 -10.182 1.051 1.00 0.00 H new ATOM 1817 N THR A 116 15.993 -3.307 -2.843 1.00 0.00 N ATOM 1818 CA THR A 116 16.013 -1.927 -3.296 1.00 0.00 C ATOM 1819 C THR A 116 14.669 -1.551 -3.923 1.00 0.00 C ATOM 1820 O THR A 116 13.855 -2.423 -4.223 1.00 0.00 O ATOM 1821 CB THR A 116 17.197 -1.759 -4.251 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.341 -1.947 -3.422 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.338 -0.324 -4.763 1.00 0.00 C ATOM 0 H THR A 116 16.028 -4.001 -3.589 1.00 0.00 H new ATOM 0 HA THR A 116 16.150 -1.240 -2.461 1.00 0.00 H new ATOM 0 HB THR A 116 17.079 -2.436 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.154 -1.857 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.193 -0.260 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.432 -0.038 -5.298 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.489 0.350 -3.920 1.00 0.00 H new ATOM 1831 N MET A 117 14.478 -0.252 -4.102 1.00 0.00 N ATOM 1832 CA MET A 117 13.246 0.249 -4.688 1.00 0.00 C ATOM 1833 C MET A 117 13.171 -0.088 -6.179 1.00 0.00 C ATOM 1834 O MET A 117 14.197 -0.175 -6.852 1.00 0.00 O ATOM 1835 CB MET A 117 13.174 1.766 -4.504 1.00 0.00 C ATOM 1836 CG MET A 117 12.373 2.129 -3.252 1.00 0.00 C ATOM 1837 SD MET A 117 13.010 1.241 -1.841 1.00 0.00 S ATOM 1838 CE MET A 117 11.512 0.459 -1.265 1.00 0.00 C ATOM 0 H MET A 117 15.155 0.468 -3.852 1.00 0.00 H new ATOM 0 HA MET A 117 12.406 -0.228 -4.184 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.181 2.175 -4.427 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.712 2.221 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 117 12.430 3.203 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 117 11.321 1.886 -3.400 1.00 0.00 H new ATOM 0 HE1 MET A 117 11.752 -0.512 -0.831 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.041 1.088 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.828 0.323 -2.102 1.00 0.00 H new ATOM 1848 N SER A 118 11.946 -0.270 -6.650 1.00 0.00 N ATOM 1849 CA SER A 118 11.723 -0.596 -8.048 1.00 0.00 C ATOM 1850 C SER A 118 10.240 -0.443 -8.392 1.00 0.00 C ATOM 1851 O SER A 118 9.381 -0.574 -7.521 1.00 0.00 O ATOM 1852 CB SER A 118 12.197 -2.016 -8.365 1.00 0.00 C ATOM 1853 OG SER A 118 13.605 -2.074 -8.578 1.00 0.00 O ATOM 0 H SER A 118 11.098 -0.198 -6.088 1.00 0.00 H new ATOM 0 HA SER A 118 12.304 0.097 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.927 -2.680 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.681 -2.381 -9.253 1.00 0.00 H new ATOM 0 HG SER A 118 14.035 -1.314 -8.133 1.00 0.00 H new ATOM 1859 N MET A 119 9.985 -0.167 -9.662 1.00 0.00 N ATOM 1860 CA MET A 119 8.621 0.005 -10.131 1.00 0.00 C ATOM 1861 C MET A 119 7.815 -1.284 -9.962 1.00 0.00 C ATOM 1862 O MET A 119 6.593 -1.280 -10.102 1.00 0.00 O ATOM 1863 CB MET A 119 8.635 0.408 -11.607 1.00 0.00 C ATOM 1864 CG MET A 119 7.345 1.136 -11.990 1.00 0.00 C ATOM 1865 SD MET A 119 7.691 2.854 -12.326 1.00 0.00 S ATOM 1866 CE MET A 119 7.797 3.481 -10.658 1.00 0.00 C ATOM 0 H MET A 119 10.700 -0.058 -10.381 1.00 0.00 H new ATOM 0 HA MET A 119 8.149 0.787 -9.536 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.492 1.052 -11.803 1.00 0.00 H new ATOM 0 HB3 MET A 119 8.754 -0.479 -12.229 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.900 0.668 -12.868 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.618 1.054 -11.182 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.725 4.569 -10.673 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.981 3.071 -10.063 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.750 3.187 -10.218 1.00 0.00 H new ATOM 1876 N SER A 120 8.533 -2.357 -9.662 1.00 0.00 N ATOM 1877 CA SER A 120 7.900 -3.651 -9.471 1.00 0.00 C ATOM 1878 C SER A 120 7.567 -3.859 -7.992 1.00 0.00 C ATOM 1879 O SER A 120 7.479 -4.993 -7.525 1.00 0.00 O ATOM 1880 CB SER A 120 8.797 -4.783 -9.977 1.00 0.00 C ATOM 1881 OG SER A 120 8.615 -5.026 -11.370 1.00 0.00 O ATOM 0 H SER A 120 9.546 -2.357 -9.547 1.00 0.00 H new ATOM 0 HA SER A 120 6.977 -3.668 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.840 -4.532 -9.786 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.581 -5.694 -9.419 1.00 0.00 H new ATOM 0 HG SER A 120 9.206 -5.754 -11.655 1.00 0.00 H new ATOM 1887 N VAL A 121 7.392 -2.745 -7.296 1.00 0.00 N ATOM 1888 CA VAL A 121 7.071 -2.790 -5.880 1.00 0.00 C ATOM 1889 C VAL A 121 5.744 -2.068 -5.639 1.00 0.00 C ATOM 1890 O VAL A 121 5.469 -1.043 -6.261 1.00 0.00 O ATOM 1891 CB VAL A 121 8.226 -2.207 -5.063 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.862 -2.128 -3.579 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.507 -3.016 -5.271 1.00 0.00 C ATOM 0 H VAL A 121 7.467 -1.806 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 121 6.945 -3.821 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 121 8.409 -1.193 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.700 -1.710 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.987 -1.490 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.639 -3.127 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.312 -2.581 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.342 -4.046 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.781 -2.998 -6.326 1.00 0.00 H new ATOM 1903 N ASP A 122 4.956 -2.631 -4.734 1.00 0.00 N ATOM 1904 CA ASP A 122 3.665 -2.054 -4.403 1.00 0.00 C ATOM 1905 C ASP A 122 3.428 -2.175 -2.897 1.00 0.00 C ATOM 1906 O ASP A 122 2.298 -2.041 -2.429 1.00 0.00 O ATOM 1907 CB ASP A 122 2.532 -2.791 -5.121 1.00 0.00 C ATOM 1908 CG ASP A 122 2.311 -2.377 -6.577 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.022 -2.937 -7.440 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.437 -1.511 -6.795 1.00 0.00 O ATOM 0 H ASP A 122 5.188 -3.481 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 122 3.672 -1.010 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.738 -3.861 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.606 -2.629 -4.569 1.00 0.00 H new ATOM 1915 N ALA A 123 4.512 -2.428 -2.178 1.00 0.00 N ATOM 1916 CA ALA A 123 4.436 -2.569 -0.734 1.00 0.00 C ATOM 1917 C ALA A 123 5.850 -2.698 -0.163 1.00 0.00 C ATOM 1918 O ALA A 123 6.722 -3.302 -0.786 1.00 0.00 O ATOM 1919 CB ALA A 123 3.555 -3.770 -0.383 1.00 0.00 C ATOM 0 H ALA A 123 5.448 -2.539 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 123 3.978 -1.687 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.498 -3.875 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.554 -3.617 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.985 -4.675 -0.814 1.00 0.00 H new ATOM 1925 N PHE A 124 6.033 -2.120 1.015 1.00 0.00 N ATOM 1926 CA PHE A 124 7.326 -2.163 1.676 1.00 0.00 C ATOM 1927 C PHE A 124 7.173 -2.010 3.191 1.00 0.00 C ATOM 1928 O PHE A 124 6.257 -1.338 3.661 1.00 0.00 O ATOM 1929 CB PHE A 124 8.143 -0.986 1.137 1.00 0.00 C ATOM 1930 CG PHE A 124 7.651 0.382 1.612 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.398 0.803 1.292 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.467 1.178 2.355 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.941 2.073 1.733 1.00 0.00 C ATOM 1934 CE2 PHE A 124 8.010 2.448 2.796 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.757 2.869 2.476 1.00 0.00 C ATOM 0 H PHE A 124 5.308 -1.620 1.529 1.00 0.00 H new ATOM 0 HA PHE A 124 7.812 -3.119 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 124 9.183 -1.111 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 124 8.121 -1.010 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.750 0.171 0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.462 0.844 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.946 2.407 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.658 3.080 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.410 3.835 2.812 1.00 0.00 H new ATOM 1945 N THR A 125 8.084 -2.646 3.912 1.00 0.00 N ATOM 1946 CA THR A 125 8.061 -2.590 5.364 1.00 0.00 C ATOM 1947 C THR A 125 9.411 -2.108 5.900 1.00 0.00 C ATOM 1948 O THR A 125 10.407 -2.825 5.821 1.00 0.00 O ATOM 1949 CB THR A 125 7.659 -3.972 5.885 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.381 -4.879 5.056 1.00 0.00 O ATOM 1951 CG2 THR A 125 6.191 -4.299 5.605 1.00 0.00 C ATOM 0 H THR A 125 8.843 -3.203 3.518 1.00 0.00 H new ATOM 0 HA THR A 125 7.327 -1.867 5.720 1.00 0.00 H new ATOM 0 HB THR A 125 7.844 -4.023 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.324 -4.614 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.958 -5.290 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.554 -3.559 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.013 -4.281 4.530 1.00 0.00 H new ATOM 1959 N ILE A 126 9.400 -0.895 6.434 1.00 0.00 N ATOM 1960 CA ILE A 126 10.611 -0.308 6.983 1.00 0.00 C ATOM 1961 C ILE A 126 11.084 -1.146 8.173 1.00 0.00 C ATOM 1962 O ILE A 126 10.357 -2.014 8.654 1.00 0.00 O ATOM 1963 CB ILE A 126 10.386 1.167 7.320 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.347 1.324 8.432 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.010 1.964 6.069 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.204 2.790 8.846 1.00 0.00 C ATOM 0 H ILE A 126 8.572 -0.303 6.498 1.00 0.00 H new ATOM 0 HA ILE A 126 11.412 -0.323 6.243 1.00 0.00 H new ATOM 0 HB ILE A 126 11.323 1.578 7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.384 0.943 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.639 0.726 9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.856 3.009 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.814 1.892 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.092 1.559 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.459 2.874 9.638 1.00 0.00 H new ATOM 0 HD12 ILE A 126 10.163 3.161 9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.888 3.382 7.987 1.00 0.00 H new ATOM 1978 N GLN A 127 12.299 -0.855 8.614 1.00 0.00 N ATOM 1979 CA GLN A 127 12.877 -1.571 9.739 1.00 0.00 C ATOM 1980 C GLN A 127 11.959 -1.473 10.959 1.00 0.00 C ATOM 1981 O GLN A 127 10.969 -0.744 10.938 1.00 0.00 O ATOM 1982 CB GLN A 127 14.277 -1.043 10.063 1.00 0.00 C ATOM 1983 CG GLN A 127 15.354 -1.904 9.400 1.00 0.00 C ATOM 1984 CD GLN A 127 16.139 -2.700 10.444 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.593 -3.480 11.208 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.447 -2.461 10.435 1.00 0.00 N ATOM 0 H GLN A 127 12.899 -0.134 8.213 1.00 0.00 H new ATOM 0 HA GLN A 127 12.974 -2.622 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.369 -0.012 9.721 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.426 -1.035 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.891 -2.588 8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 127 16.035 -1.269 8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.839 -1.796 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.058 -2.943 11.094 1.00 0.00 H new ATOM 1995 N GLY A 128 12.320 -2.219 11.993 1.00 0.00 N ATOM 1996 CA GLY A 128 11.541 -2.226 13.219 1.00 0.00 C ATOM 1997 C GLY A 128 12.011 -1.127 14.173 1.00 0.00 C ATOM 1998 O GLY A 128 11.214 -0.299 14.613 1.00 0.00 O ATOM 0 H GLY A 128 13.142 -2.823 12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.486 -2.083 12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.630 -3.197 13.705 1.00 0.00 H new ATOM 2002 N HIS A 129 13.303 -1.154 14.467 1.00 0.00 N ATOM 2003 CA HIS A 129 13.888 -0.170 15.361 1.00 0.00 C ATOM 2004 C HIS A 129 13.273 1.203 15.086 1.00 0.00 C ATOM 2005 O HIS A 129 13.091 2.001 16.004 1.00 0.00 O ATOM 2006 CB HIS A 129 15.414 -0.171 15.245 1.00 0.00 C ATOM 2007 CG HIS A 129 15.924 0.060 13.843 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.351 1.298 13.394 1.00 0.00 N ATOM 2009 CD2 HIS A 129 16.071 -0.801 12.795 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.734 1.176 12.132 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.560 -0.126 11.762 1.00 0.00 N ATOM 0 H HIS A 129 13.961 -1.842 14.101 1.00 0.00 H new ATOM 0 HA HIS A 129 13.660 -0.431 16.395 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.818 0.601 15.899 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.795 -1.126 15.606 1.00 0.00 H new ATOM 0 HD1 HIS A 129 16.368 2.158 13.942 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.830 -1.854 12.804 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.117 1.968 11.506 1.00 0.00 H new ATOM 2019 N LEU A 130 12.971 1.437 13.817 1.00 0.00 N ATOM 2020 CA LEU A 130 12.380 2.701 13.410 1.00 0.00 C ATOM 2021 C LEU A 130 11.266 3.077 14.389 1.00 0.00 C ATOM 2022 O LEU A 130 11.390 4.050 15.131 1.00 0.00 O ATOM 2023 CB LEU A 130 11.921 2.632 11.952 1.00 0.00 C ATOM 2024 CG LEU A 130 12.922 3.132 10.909 1.00 0.00 C ATOM 2025 CD1 LEU A 130 14.349 2.723 11.278 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.535 2.660 9.506 1.00 0.00 C ATOM 0 H LEU A 130 13.124 0.773 13.058 1.00 0.00 H new ATOM 0 HA LEU A 130 13.121 3.499 13.449 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.671 1.597 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.003 3.212 11.853 1.00 0.00 H new ATOM 0 HG LEU A 130 12.891 4.222 10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 130 15.040 3.091 10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.611 3.150 12.246 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.414 1.636 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.263 3.029 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.519 1.570 9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.547 3.043 9.253 1.00 0.00 H new ATOM 2038 N TRP A 131 10.204 2.287 14.358 1.00 0.00 N ATOM 2039 CA TRP A 131 9.068 2.525 15.233 1.00 0.00 C ATOM 2040 C TRP A 131 9.597 2.683 16.660 1.00 0.00 C ATOM 2041 O TRP A 131 9.499 3.759 17.247 1.00 0.00 O ATOM 2042 CB TRP A 131 8.030 1.410 15.100 1.00 0.00 C ATOM 2043 CG TRP A 131 7.622 1.108 13.657 1.00 0.00 C ATOM 2044 CD1 TRP A 131 8.063 0.123 12.863 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.666 1.843 12.862 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.464 0.168 11.620 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.588 1.247 11.620 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.894 2.973 13.183 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.750 1.711 10.599 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 5.062 3.424 12.151 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.971 2.836 10.895 1.00 0.00 C ATOM 0 H TRP A 131 10.105 1.481 13.741 1.00 0.00 H new ATOM 0 HA TRP A 131 8.548 3.440 14.951 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.428 0.501 15.552 1.00 0.00 H new ATOM 0 HB3 TRP A 131 7.141 1.685 15.668 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.795 -0.614 13.158 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.633 -0.473 10.844 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.939 3.455 14.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.707 1.227 9.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.447 4.291 12.345 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.303 3.245 10.151 1.00 0.00 H new