USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 480 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 31 SER OG : rot 64:sc= 0.0133 USER MOD Set 1.2: B 31 SER OG : rot -150:sc= 0.0113 USER MOD Set 2.1: A 21 CYS SG : rot -36:sc= -5.41! USER MOD Set 2.2: B 21 CYS SG : rot -41:sc= -5.82! USER MOD Single : A 15 THR OG1 : rot -35:sc= 0.514 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.7!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 37 TYR OH : rot -120:sc= -1.81! USER MOD Single : A 38 CYS SG : rot 6:sc= -14.4! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.2! C(o=-1.2!,f=-4.2!) USER MOD Single : B 15 THR OG1 : rot -36:sc= 0.691 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.8! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot -113:sc= -1.93! USER MOD Single : B 38 CYS SG : rot 5:sc= -14.2! USER MOD Single : B 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00056) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 245 N THR A 15 -3.464 1.537 1.497 1.00 0.00 N ATOM 246 CA THR A 15 -2.625 0.950 2.582 1.00 0.00 C ATOM 247 C THR A 15 -2.631 -0.578 2.484 1.00 0.00 C ATOM 248 O THR A 15 -3.614 -1.220 2.794 1.00 0.00 O ATOM 249 CB THR A 15 -3.272 1.407 3.887 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.678 1.213 3.817 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.966 2.888 4.113 1.00 0.00 C ATOM 0 HA THR A 15 -1.585 1.270 2.515 1.00 0.00 H new ATOM 0 HB THR A 15 -2.871 0.823 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.986 1.377 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.427 3.217 5.044 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.887 3.032 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.365 3.473 3.284 1.00 0.00 H new ATOM 259 N SER A 16 -1.543 -1.167 2.047 1.00 0.00 N ATOM 260 CA SER A 16 -1.497 -2.655 1.931 1.00 0.00 C ATOM 261 C SER A 16 -1.711 -3.290 3.344 1.00 0.00 C ATOM 262 O SER A 16 -2.736 -3.001 3.925 1.00 0.00 O ATOM 263 CB SER A 16 -0.156 -2.944 1.257 1.00 0.00 C ATOM 264 OG SER A 16 -0.129 -2.296 -0.008 1.00 0.00 O ATOM 0 H SER A 16 -0.690 -0.682 1.768 1.00 0.00 H new ATOM 0 HA SER A 16 -2.288 -3.102 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.664 -2.588 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.020 -4.018 1.134 1.00 0.00 H new ATOM 0 HG SER A 16 0.728 -2.474 -0.448 1.00 0.00 H new ATOM 270 N PRO A 17 -0.834 -4.129 3.922 1.00 0.00 N ATOM 271 CA PRO A 17 0.464 -4.625 3.425 1.00 0.00 C ATOM 272 C PRO A 17 0.368 -6.115 3.101 1.00 0.00 C ATOM 273 O PRO A 17 1.280 -6.858 3.404 1.00 0.00 O ATOM 274 CB PRO A 17 1.315 -4.520 4.688 1.00 0.00 C ATOM 275 CG PRO A 17 0.345 -4.605 5.827 1.00 0.00 C ATOM 276 CD PRO A 17 -1.016 -4.725 5.220 1.00 0.00 C ATOM 0 HA PRO A 17 0.821 -4.096 2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.049 -5.324 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.869 -3.581 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.564 -5.465 6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.411 -3.719 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.337 -5.764 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.769 -4.198 5.806 1.00 0.00 H new ATOM 284 N PRO A 18 -0.735 -6.534 2.553 1.00 0.00 N ATOM 285 CA PRO A 18 -0.904 -7.969 2.287 1.00 0.00 C ATOM 286 C PRO A 18 0.200 -8.511 1.358 1.00 0.00 C ATOM 287 O PRO A 18 0.669 -9.609 1.578 1.00 0.00 O ATOM 288 CB PRO A 18 -2.333 -8.067 1.758 1.00 0.00 C ATOM 289 CG PRO A 18 -2.648 -6.711 1.233 1.00 0.00 C ATOM 290 CD PRO A 18 -1.897 -5.753 2.117 1.00 0.00 C ATOM 0 HA PRO A 18 -0.785 -8.608 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.412 -8.821 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.027 -8.354 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.337 -6.611 0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.720 -6.517 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.598 -4.856 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.503 -5.427 2.963 1.00 0.00 H new ATOM 298 N PRO A 19 0.658 -7.728 0.403 1.00 0.00 N ATOM 299 CA PRO A 19 1.787 -8.195 -0.433 1.00 0.00 C ATOM 300 C PRO A 19 3.044 -8.130 0.439 1.00 0.00 C ATOM 301 O PRO A 19 3.844 -7.227 0.325 1.00 0.00 O ATOM 302 CB PRO A 19 1.852 -7.181 -1.570 1.00 0.00 C ATOM 303 CG PRO A 19 1.233 -5.944 -1.006 1.00 0.00 C ATOM 304 CD PRO A 19 0.203 -6.391 0.000 1.00 0.00 C ATOM 0 HA PRO A 19 1.687 -9.210 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.880 -7.002 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.308 -7.533 -2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.988 -5.315 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.771 -5.349 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.155 -5.712 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.795 -6.424 -0.438 1.00 0.00 H new ATOM 312 N GLU A 20 3.168 -9.057 1.353 1.00 0.00 N ATOM 313 CA GLU A 20 4.320 -9.068 2.316 1.00 0.00 C ATOM 314 C GLU A 20 5.692 -9.057 1.633 1.00 0.00 C ATOM 315 O GLU A 20 6.525 -9.884 1.922 1.00 0.00 O ATOM 316 CB GLU A 20 4.160 -10.368 3.114 1.00 0.00 C ATOM 317 CG GLU A 20 3.735 -11.512 2.186 1.00 0.00 C ATOM 318 CD GLU A 20 4.141 -12.851 2.807 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.787 -13.081 3.951 1.00 0.00 O ATOM 320 OE2 GLU A 20 4.797 -13.622 2.127 1.00 0.00 O ATOM 0 H GLU A 20 2.508 -9.824 1.478 1.00 0.00 H new ATOM 0 HA GLU A 20 4.294 -8.167 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.100 -10.619 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.416 -10.232 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.657 -11.485 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.204 -11.395 1.209 1.00 0.00 H new ATOM 327 N CYS A 21 5.970 -8.118 0.777 1.00 0.00 N ATOM 328 CA CYS A 21 7.340 -8.095 0.173 1.00 0.00 C ATOM 329 C CYS A 21 8.311 -7.429 1.156 1.00 0.00 C ATOM 330 O CYS A 21 9.477 -7.764 1.211 1.00 0.00 O ATOM 331 CB CYS A 21 7.314 -7.358 -1.191 1.00 0.00 C ATOM 332 SG CYS A 21 5.774 -6.442 -1.471 1.00 0.00 S ATOM 0 H CYS A 21 5.333 -7.382 0.472 1.00 0.00 H new ATOM 0 HA CYS A 21 7.680 -9.113 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.156 -6.667 -1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.450 -8.084 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 21 4.775 -7.110 -0.974 1.00 0.00 H new ATOM 338 N ILE A 22 7.835 -6.499 1.951 1.00 0.00 N ATOM 339 CA ILE A 22 8.738 -5.837 2.946 1.00 0.00 C ATOM 340 C ILE A 22 8.916 -6.731 4.156 1.00 0.00 C ATOM 341 O ILE A 22 10.009 -7.060 4.547 1.00 0.00 O ATOM 342 CB ILE A 22 8.033 -4.559 3.401 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.700 -3.620 2.235 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.936 -3.825 4.385 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.313 -4.104 0.912 1.00 0.00 C ATOM 0 H ILE A 22 6.869 -6.172 1.954 1.00 0.00 H new ATOM 0 HA ILE A 22 9.712 -5.635 2.501 1.00 0.00 H new ATOM 0 HB ILE A 22 7.091 -4.850 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.618 -3.546 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.067 -2.619 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.444 -2.911 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.133 -4.465 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.878 -3.574 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.052 -3.409 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.398 -4.153 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.925 -5.094 0.672 1.00 0.00 H new ATOM 357 N ASN A 23 7.846 -7.113 4.774 1.00 0.00 N ATOM 358 CA ASN A 23 7.992 -7.981 5.969 1.00 0.00 C ATOM 359 C ASN A 23 8.646 -9.299 5.554 1.00 0.00 C ATOM 360 O ASN A 23 9.655 -9.689 6.095 1.00 0.00 O ATOM 361 CB ASN A 23 6.588 -8.200 6.526 1.00 0.00 C ATOM 362 CG ASN A 23 5.752 -9.028 5.558 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.817 -8.832 4.363 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.964 -9.957 6.029 1.00 0.00 N ATOM 0 H ASN A 23 6.890 -6.870 4.513 1.00 0.00 H new ATOM 0 HA ASN A 23 8.625 -7.530 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.648 -8.707 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.106 -7.238 6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.401 -10.520 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.911 -10.120 7.035 1.00 0.00 H new ATOM 371 N ASP A 24 8.135 -9.963 4.552 1.00 0.00 N ATOM 372 CA ASP A 24 8.795 -11.219 4.120 1.00 0.00 C ATOM 373 C ASP A 24 10.245 -10.892 3.839 1.00 0.00 C ATOM 374 O ASP A 24 11.110 -11.745 3.852 1.00 0.00 O ATOM 375 CB ASP A 24 8.086 -11.642 2.839 1.00 0.00 C ATOM 376 CG ASP A 24 8.523 -13.056 2.450 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.394 -13.590 3.117 1.00 0.00 O ATOM 378 OD2 ASP A 24 7.980 -13.580 1.491 1.00 0.00 O ATOM 0 H ASP A 24 7.304 -9.693 4.025 1.00 0.00 H new ATOM 0 HA ASP A 24 8.746 -12.014 4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.006 -11.611 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.320 -10.944 2.035 1.00 0.00 H new ATOM 383 N LEU A 25 10.508 -9.643 3.591 1.00 0.00 N ATOM 384 CA LEU A 25 11.882 -9.220 3.316 1.00 0.00 C ATOM 385 C LEU A 25 12.591 -8.915 4.608 1.00 0.00 C ATOM 386 O LEU A 25 13.610 -9.481 4.954 1.00 0.00 O ATOM 387 CB LEU A 25 11.748 -7.921 2.513 1.00 0.00 C ATOM 388 CG LEU A 25 12.939 -6.969 2.792 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.926 -7.004 1.641 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.427 -5.548 2.992 1.00 0.00 C ATOM 0 H LEU A 25 9.813 -8.897 3.569 1.00 0.00 H new ATOM 0 HA LEU A 25 12.444 -9.990 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.703 -8.151 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.813 -7.424 2.772 1.00 0.00 H new ATOM 0 HG LEU A 25 13.448 -7.300 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.756 -6.330 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.305 -8.019 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.427 -6.689 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.268 -4.883 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.906 -5.219 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.741 -5.524 3.839 1.00 0.00 H new ATOM 402 N LEU A 26 12.077 -7.933 5.262 1.00 0.00 N ATOM 403 CA LEU A 26 12.696 -7.438 6.473 1.00 0.00 C ATOM 404 C LEU A 26 12.525 -8.407 7.632 1.00 0.00 C ATOM 405 O LEU A 26 13.134 -8.249 8.671 1.00 0.00 O ATOM 406 CB LEU A 26 11.971 -6.130 6.719 1.00 0.00 C ATOM 407 CG LEU A 26 12.208 -5.711 8.139 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.693 -5.459 8.313 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.426 -4.437 8.441 1.00 0.00 C ATOM 0 H LEU A 26 11.224 -7.444 4.988 1.00 0.00 H new ATOM 0 HA LEU A 26 13.775 -7.315 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.331 -5.363 6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.904 -6.248 6.533 1.00 0.00 H new ATOM 0 HG LEU A 26 11.875 -6.491 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.892 -5.152 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.245 -6.373 8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.011 -4.671 7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.603 -4.138 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.754 -3.641 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.362 -4.620 8.293 1.00 0.00 H new ATOM 421 N GLN A 27 11.742 -9.427 7.467 1.00 0.00 N ATOM 422 CA GLN A 27 11.602 -10.390 8.559 1.00 0.00 C ATOM 423 C GLN A 27 12.939 -11.116 8.693 1.00 0.00 C ATOM 424 O GLN A 27 13.156 -11.890 9.603 1.00 0.00 O ATOM 425 CB GLN A 27 10.502 -11.334 8.099 1.00 0.00 C ATOM 426 CG GLN A 27 9.151 -10.643 8.261 1.00 0.00 C ATOM 427 CD GLN A 27 8.487 -11.070 9.564 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.660 -12.183 10.018 1.00 0.00 O ATOM 429 NE2 GLN A 27 7.724 -10.217 10.188 1.00 0.00 N ATOM 0 H GLN A 27 11.200 -9.627 6.626 1.00 0.00 H new ATOM 0 HA GLN A 27 11.353 -9.950 9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.658 -11.614 7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.527 -12.253 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.286 -9.561 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.505 -10.891 7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.582 -9.283 9.803 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.269 -10.483 11.061 1.00 0.00 H new ATOM 438 N ALA A 28 13.839 -10.875 7.759 1.00 0.00 N ATOM 439 CA ALA A 28 15.152 -11.551 7.799 1.00 0.00 C ATOM 440 C ALA A 28 16.320 -10.559 7.936 1.00 0.00 C ATOM 441 O ALA A 28 17.406 -10.960 8.305 1.00 0.00 O ATOM 442 CB ALA A 28 15.248 -12.286 6.464 1.00 0.00 C ATOM 0 H ALA A 28 13.706 -10.235 6.976 1.00 0.00 H new ATOM 0 HA ALA A 28 15.223 -12.212 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.198 -12.818 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.428 -12.999 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.187 -11.567 5.647 1.00 0.00 H new ATOM 448 N VAL A 29 16.161 -9.279 7.646 1.00 0.00 N ATOM 449 CA VAL A 29 17.350 -8.396 7.792 1.00 0.00 C ATOM 450 C VAL A 29 17.208 -7.504 9.012 1.00 0.00 C ATOM 451 O VAL A 29 17.992 -6.603 9.220 1.00 0.00 O ATOM 452 CB VAL A 29 17.466 -7.605 6.473 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.084 -7.343 5.876 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.174 -6.268 6.714 1.00 0.00 C ATOM 0 H VAL A 29 15.299 -8.834 7.330 1.00 0.00 H new ATOM 0 HA VAL A 29 18.265 -8.964 7.959 1.00 0.00 H new ATOM 0 HB VAL A 29 18.049 -8.203 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.189 -6.784 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.589 -8.293 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.487 -6.765 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.248 -5.721 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.604 -5.679 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.174 -6.451 7.107 1.00 0.00 H new ATOM 464 N ASP A 30 16.255 -7.780 9.856 1.00 0.00 N ATOM 465 CA ASP A 30 16.127 -6.960 11.084 1.00 0.00 C ATOM 466 C ASP A 30 16.254 -5.498 10.729 1.00 0.00 C ATOM 467 O ASP A 30 17.345 -4.968 10.647 1.00 0.00 O ATOM 468 CB ASP A 30 17.323 -7.383 11.915 1.00 0.00 C ATOM 469 CG ASP A 30 16.946 -8.560 12.818 1.00 0.00 C ATOM 470 OD1 ASP A 30 15.815 -9.009 12.731 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.795 -8.991 13.581 1.00 0.00 O ATOM 0 H ASP A 30 15.569 -8.528 9.749 1.00 0.00 H new ATOM 0 HA ASP A 30 15.174 -7.095 11.596 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.148 -7.666 11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.669 -6.546 12.521 1.00 0.00 H new ATOM 476 N SER A 31 15.184 -4.827 10.473 1.00 0.00 N ATOM 477 CA SER A 31 15.358 -3.431 10.075 1.00 0.00 C ATOM 478 C SER A 31 14.021 -2.697 10.137 1.00 0.00 C ATOM 479 O SER A 31 13.473 -2.286 9.135 1.00 0.00 O ATOM 480 CB SER A 31 15.891 -3.619 8.654 1.00 0.00 C ATOM 481 OG SER A 31 16.948 -2.711 8.420 1.00 0.00 O ATOM 0 H SER A 31 14.226 -5.174 10.521 1.00 0.00 H new ATOM 0 HA SER A 31 16.014 -2.825 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.241 -4.642 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.092 -3.457 7.931 1.00 0.00 H new ATOM 0 HG SER A 31 17.697 -2.920 9.016 1.00 0.00 H new ATOM 487 N GLN A 32 13.491 -2.543 11.321 1.00 0.00 N ATOM 488 CA GLN A 32 12.182 -1.856 11.469 1.00 0.00 C ATOM 489 C GLN A 32 12.171 -0.559 10.668 1.00 0.00 C ATOM 490 O GLN A 32 11.134 -0.059 10.314 1.00 0.00 O ATOM 491 CB GLN A 32 12.040 -1.569 12.963 1.00 0.00 C ATOM 492 CG GLN A 32 10.559 -1.585 13.339 1.00 0.00 C ATOM 493 CD GLN A 32 10.373 -2.320 14.663 1.00 0.00 C ATOM 494 OE1 GLN A 32 11.006 -1.995 15.649 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.525 -3.305 14.727 1.00 0.00 N ATOM 0 H GLN A 32 13.912 -2.865 12.192 1.00 0.00 H new ATOM 0 HA GLN A 32 11.358 -2.464 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.583 -2.316 13.542 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.478 -0.600 13.203 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.184 -0.565 13.422 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.980 -2.074 12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.995 -3.576 13.899 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.390 -3.806 15.605 1.00 0.00 H new ATOM 504 N GLU A 33 13.309 -0.017 10.355 1.00 0.00 N ATOM 505 CA GLU A 33 13.309 1.231 9.550 1.00 0.00 C ATOM 506 C GLU A 33 12.692 0.933 8.188 1.00 0.00 C ATOM 507 O GLU A 33 12.119 1.793 7.546 1.00 0.00 O ATOM 508 CB GLU A 33 14.774 1.623 9.406 1.00 0.00 C ATOM 509 CG GLU A 33 15.471 1.520 10.765 1.00 0.00 C ATOM 510 CD GLU A 33 16.011 2.895 11.167 1.00 0.00 C ATOM 511 OE1 GLU A 33 17.021 3.297 10.612 1.00 0.00 O ATOM 512 OE2 GLU A 33 15.408 3.520 12.022 1.00 0.00 O ATOM 0 H GLU A 33 14.227 -0.376 10.616 1.00 0.00 H new ATOM 0 HA GLU A 33 12.734 2.035 10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.266 0.971 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.852 2.640 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.771 1.158 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.286 0.798 10.714 1.00 0.00 H new ATOM 519 N VAL A 34 12.793 -0.292 7.752 1.00 0.00 N ATOM 520 CA VAL A 34 12.199 -0.666 6.443 1.00 0.00 C ATOM 521 C VAL A 34 10.699 -0.915 6.637 1.00 0.00 C ATOM 522 O VAL A 34 9.885 -0.503 5.836 1.00 0.00 O ATOM 523 CB VAL A 34 12.980 -1.922 5.998 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.031 -3.027 5.533 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.897 -1.546 4.835 1.00 0.00 C ATOM 0 H VAL A 34 13.262 -1.050 8.248 1.00 0.00 H new ATOM 0 HA VAL A 34 12.277 0.105 5.676 1.00 0.00 H new ATOM 0 HB VAL A 34 13.555 -2.290 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.610 -3.898 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.366 -3.303 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.440 -2.668 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.454 -2.425 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.297 -1.171 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.595 -0.773 5.157 1.00 0.00 H new ATOM 535 N ARG A 35 10.321 -1.543 7.717 1.00 0.00 N ATOM 536 CA ARG A 35 8.873 -1.756 7.973 1.00 0.00 C ATOM 537 C ARG A 35 8.291 -0.449 8.501 1.00 0.00 C ATOM 538 O ARG A 35 7.249 0.002 8.072 1.00 0.00 O ATOM 539 CB ARG A 35 8.820 -2.826 9.040 1.00 0.00 C ATOM 540 CG ARG A 35 8.177 -4.092 8.478 1.00 0.00 C ATOM 541 CD ARG A 35 7.344 -4.738 9.574 1.00 0.00 C ATOM 542 NE ARG A 35 6.514 -5.761 8.881 1.00 0.00 N ATOM 543 CZ ARG A 35 5.914 -6.694 9.569 1.00 0.00 C ATOM 544 NH1 ARG A 35 6.187 -6.857 10.836 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.034 -7.464 8.991 1.00 0.00 N ATOM 0 H ARG A 35 10.950 -1.915 8.428 1.00 0.00 H new ATOM 0 HA ARG A 35 8.311 -2.051 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.826 -3.046 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.250 -2.468 9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.551 -3.850 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.944 -4.783 8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.979 -5.194 10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.720 -4.002 10.080 1.00 0.00 H new ATOM 0 HE ARG A 35 6.414 -5.733 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.872 -6.254 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.716 -7.587 11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.816 -7.337 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.564 -8.194 9.527 1.00 0.00 H new ATOM 559 N ASP A 36 8.999 0.189 9.399 1.00 0.00 N ATOM 560 CA ASP A 36 8.527 1.496 9.916 1.00 0.00 C ATOM 561 C ASP A 36 8.352 2.391 8.706 1.00 0.00 C ATOM 562 O ASP A 36 7.535 3.285 8.667 1.00 0.00 O ATOM 563 CB ASP A 36 9.657 2.015 10.811 1.00 0.00 C ATOM 564 CG ASP A 36 9.149 3.189 11.651 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.180 3.004 12.367 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.741 4.254 11.564 1.00 0.00 O ATOM 0 H ASP A 36 9.880 -0.143 9.792 1.00 0.00 H new ATOM 0 HA ASP A 36 7.593 1.448 10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.015 1.217 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.502 2.331 10.200 1.00 0.00 H new ATOM 571 N TYR A 37 9.116 2.090 7.697 1.00 0.00 N ATOM 572 CA TYR A 37 9.045 2.818 6.431 1.00 0.00 C ATOM 573 C TYR A 37 7.845 2.276 5.665 1.00 0.00 C ATOM 574 O TYR A 37 6.979 3.002 5.230 1.00 0.00 O ATOM 575 CB TYR A 37 10.359 2.463 5.740 1.00 0.00 C ATOM 576 CG TYR A 37 10.159 2.542 4.259 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.549 1.477 3.600 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.512 3.700 3.561 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.281 1.560 2.244 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.260 3.784 2.191 1.00 0.00 C ATOM 581 CZ TYR A 37 9.639 2.717 1.531 1.00 0.00 C ATOM 582 OH TYR A 37 9.365 2.816 0.180 1.00 0.00 O ATOM 0 H TYR A 37 9.807 1.340 7.712 1.00 0.00 H new ATOM 0 HA TYR A 37 8.924 3.898 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.147 3.148 6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.677 1.460 6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.285 0.585 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.977 4.526 4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.798 0.738 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.543 4.670 1.642 1.00 0.00 H new ATOM 0 HH TYR A 37 10.202 2.937 -0.315 1.00 0.00 H new ATOM 592 N CYS A 38 7.790 0.985 5.531 1.00 0.00 N ATOM 593 CA CYS A 38 6.665 0.340 4.818 1.00 0.00 C ATOM 594 C CYS A 38 5.343 0.854 5.381 1.00 0.00 C ATOM 595 O CYS A 38 4.484 1.309 4.655 1.00 0.00 O ATOM 596 CB CYS A 38 6.872 -1.143 5.104 1.00 0.00 C ATOM 597 SG CYS A 38 5.818 -2.143 4.039 1.00 0.00 S ATOM 0 H CYS A 38 8.492 0.339 5.893 1.00 0.00 H new ATOM 0 HA CYS A 38 6.634 0.546 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.917 -1.408 4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.647 -1.353 6.150 1.00 0.00 H new ATOM 0 HG CYS A 38 5.217 -1.375 3.179 1.00 0.00 H new ATOM 603 N GLU A 39 5.182 0.824 6.672 1.00 0.00 N ATOM 604 CA GLU A 39 3.933 1.356 7.262 1.00 0.00 C ATOM 605 C GLU A 39 3.975 2.876 7.168 1.00 0.00 C ATOM 606 O GLU A 39 2.984 3.547 7.377 1.00 0.00 O ATOM 607 CB GLU A 39 3.960 0.907 8.718 1.00 0.00 C ATOM 608 CG GLU A 39 5.228 1.453 9.369 1.00 0.00 C ATOM 609 CD GLU A 39 4.862 2.593 10.321 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.386 3.609 9.840 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.062 2.432 11.513 1.00 0.00 O ATOM 0 H GLU A 39 5.860 0.455 7.339 1.00 0.00 H new ATOM 0 HA GLU A 39 3.031 1.007 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.077 1.271 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.941 -0.181 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.740 0.660 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.917 1.811 8.604 1.00 0.00 H new ATOM 618 N LYS A 40 5.106 3.429 6.797 1.00 0.00 N ATOM 619 CA LYS A 40 5.168 4.894 6.632 1.00 0.00 C ATOM 620 C LYS A 40 4.714 5.149 5.220 1.00 0.00 C ATOM 621 O LYS A 40 4.071 6.129 4.897 1.00 0.00 O ATOM 622 CB LYS A 40 6.633 5.304 6.783 1.00 0.00 C ATOM 623 CG LYS A 40 6.765 6.805 6.526 1.00 0.00 C ATOM 624 CD LYS A 40 8.090 7.294 7.103 1.00 0.00 C ATOM 625 CE LYS A 40 8.779 8.220 6.098 1.00 0.00 C ATOM 626 NZ LYS A 40 8.188 9.565 6.346 1.00 0.00 N ATOM 0 H LYS A 40 5.973 2.926 6.606 1.00 0.00 H new ATOM 0 HA LYS A 40 4.560 5.443 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.989 5.062 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.253 4.747 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.722 7.009 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.934 7.340 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.917 7.823 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.734 6.445 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.859 8.230 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.601 7.893 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.611 10.256 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.160 9.527 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.379 9.853 7.327 1.00 0.00 H new ATOM 640 N LYS A 41 5.048 4.214 4.385 1.00 0.00 N ATOM 641 CA LYS A 41 4.667 4.281 2.972 1.00 0.00 C ATOM 642 C LYS A 41 3.177 4.122 2.891 1.00 0.00 C ATOM 643 O LYS A 41 2.441 4.962 2.412 1.00 0.00 O ATOM 644 CB LYS A 41 5.278 3.042 2.360 1.00 0.00 C ATOM 645 CG LYS A 41 6.770 2.944 2.575 1.00 0.00 C ATOM 646 CD LYS A 41 7.377 4.315 2.810 1.00 0.00 C ATOM 647 CE LYS A 41 7.599 4.996 1.465 1.00 0.00 C ATOM 648 NZ LYS A 41 7.830 6.432 1.785 1.00 0.00 N ATOM 0 H LYS A 41 5.585 3.385 4.640 1.00 0.00 H new ATOM 0 HA LYS A 41 4.980 5.207 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.798 2.161 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.071 3.033 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.976 2.300 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.237 2.480 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.716 4.918 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.322 4.222 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.454 4.567 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.734 4.872 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.990 6.962 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.997 6.817 2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.664 6.521 2.400 1.00 0.00 H new ATOM 662 N GLY A 42 2.749 3.014 3.409 1.00 0.00 N ATOM 663 CA GLY A 42 1.318 2.706 3.441 1.00 0.00 C ATOM 664 C GLY A 42 1.024 1.246 3.094 1.00 0.00 C ATOM 665 O GLY A 42 0.258 0.943 2.208 1.00 0.00 O ATOM 0 H GLY A 42 3.350 2.299 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.925 2.926 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.794 3.355 2.739 1.00 0.00 H new ATOM 669 N TRP A 43 1.580 0.346 3.846 1.00 0.00 N ATOM 670 CA TRP A 43 1.270 -1.098 3.646 1.00 0.00 C ATOM 671 C TRP A 43 0.849 -1.546 4.984 1.00 0.00 C ATOM 672 O TRP A 43 -0.187 -2.136 5.216 1.00 0.00 O ATOM 673 CB TRP A 43 2.509 -1.921 3.330 1.00 0.00 C ATOM 674 CG TRP A 43 3.481 -1.229 2.459 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.714 0.082 2.462 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.421 -1.800 1.500 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.676 0.357 1.572 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.169 -0.743 0.964 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.699 -3.096 1.045 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.160 -0.928 0.030 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.704 -3.304 0.092 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.443 -2.221 -0.414 1.00 0.00 C ATOM 0 H TRP A 43 2.241 0.546 4.597 1.00 0.00 H new ATOM 0 HA TRP A 43 0.553 -1.218 2.834 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.001 -2.192 4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.203 -2.851 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.208 0.807 3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.003 1.302 1.373 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.138 -3.935 1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.713 -0.084 -0.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.913 -4.305 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.224 -2.388 -1.141 1.00 0.00 H new ATOM 693 N ILE A 44 1.701 -1.168 5.876 1.00 0.00 N ATOM 694 CA ILE A 44 1.533 -1.410 7.308 1.00 0.00 C ATOM 695 C ILE A 44 2.018 -2.790 7.694 1.00 0.00 C ATOM 696 O ILE A 44 1.714 -3.301 8.753 1.00 0.00 O ATOM 697 CB ILE A 44 0.062 -1.275 7.607 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.519 -0.080 6.859 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.090 -1.056 9.110 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.931 -0.424 6.389 1.00 0.00 C ATOM 0 H ILE A 44 2.560 -0.669 5.646 1.00 0.00 H new ATOM 0 HA ILE A 44 2.122 -0.694 7.881 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.469 -2.173 7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.541 0.795 7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.111 0.172 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.147 -0.954 9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.328 -1.908 9.646 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.440 -0.149 9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.353 0.426 5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.893 -1.289 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.555 -0.655 7.252 1.00 0.00 H new ATOM 712 N VAL A 45 2.749 -3.383 6.821 1.00 0.00 N ATOM 713 CA VAL A 45 3.284 -4.751 7.062 1.00 0.00 C ATOM 714 C VAL A 45 3.555 -4.978 8.555 1.00 0.00 C ATOM 715 O VAL A 45 4.449 -4.392 9.130 1.00 0.00 O ATOM 716 CB VAL A 45 4.583 -4.790 6.272 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.282 -4.823 4.772 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.424 -3.555 6.605 1.00 0.00 C ATOM 0 H VAL A 45 3.012 -2.977 5.923 1.00 0.00 H new ATOM 0 HA VAL A 45 2.584 -5.529 6.758 1.00 0.00 H new ATOM 0 HB VAL A 45 5.139 -5.688 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.218 -4.851 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.694 -5.710 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.720 -3.931 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.354 -3.585 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.868 -2.655 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.649 -3.545 7.671 1.00 0.00 H new ATOM 728 N ASN A 46 2.779 -5.818 9.191 1.00 0.00 N ATOM 729 CA ASN A 46 2.992 -6.067 10.648 1.00 0.00 C ATOM 730 C ASN A 46 1.962 -7.069 11.178 1.00 0.00 C ATOM 731 O ASN A 46 0.787 -6.775 11.279 1.00 0.00 O ATOM 732 CB ASN A 46 2.806 -4.697 11.303 1.00 0.00 C ATOM 733 CG ASN A 46 2.576 -4.870 12.805 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.836 -5.920 13.356 1.00 0.00 O ATOM 735 ND2 ASN A 46 2.098 -3.871 13.495 1.00 0.00 N ATOM 0 H ASN A 46 2.012 -6.339 8.767 1.00 0.00 H new ATOM 0 HA ASN A 46 3.972 -6.494 10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.686 -4.078 11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.958 -4.180 10.853 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.943 -3.972 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.880 -2.989 13.031 1.00 0.00 H new ATOM 1216 N THR B 15 13.902 -15.492 -10.017 1.00 0.00 N ATOM 1217 CA THR B 15 14.604 -14.269 -9.530 1.00 0.00 C ATOM 1218 C THR B 15 13.896 -13.012 -10.051 1.00 0.00 C ATOM 1219 O THR B 15 13.904 -12.737 -11.233 1.00 0.00 O ATOM 1220 CB THR B 15 16.013 -14.374 -10.110 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.940 -14.828 -11.454 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.837 -15.358 -9.278 1.00 0.00 C ATOM 0 HA THR B 15 14.614 -14.197 -8.442 1.00 0.00 H new ATOM 0 HB THR B 15 16.490 -13.394 -10.085 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.212 -15.478 -11.541 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.842 -15.432 -9.693 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.894 -15.005 -8.248 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.362 -16.339 -9.299 1.00 0.00 H new ATOM 1230 N SER B 16 13.276 -12.248 -9.181 1.00 0.00 N ATOM 1231 CA SER B 16 12.570 -11.015 -9.645 1.00 0.00 C ATOM 1232 C SER B 16 13.609 -10.039 -10.285 1.00 0.00 C ATOM 1233 O SER B 16 14.271 -10.472 -11.207 1.00 0.00 O ATOM 1234 CB SER B 16 11.836 -10.502 -8.405 1.00 0.00 C ATOM 1235 OG SER B 16 10.962 -11.518 -7.934 1.00 0.00 O ATOM 0 H SER B 16 13.230 -12.425 -8.178 1.00 0.00 H new ATOM 0 HA SER B 16 11.837 -11.166 -10.438 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.552 -10.231 -7.629 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.271 -9.601 -8.647 1.00 0.00 H new ATOM 0 HG SER B 16 10.488 -11.199 -7.138 1.00 0.00 H new ATOM 1241 N PRO B 17 13.787 -8.769 -9.880 1.00 0.00 N ATOM 1242 CA PRO B 17 13.115 -8.021 -8.800 1.00 0.00 C ATOM 1243 C PRO B 17 12.221 -6.934 -9.393 1.00 0.00 C ATOM 1244 O PRO B 17 12.201 -5.827 -8.891 1.00 0.00 O ATOM 1245 CB PRO B 17 14.302 -7.302 -8.168 1.00 0.00 C ATOM 1246 CG PRO B 17 15.324 -7.192 -9.257 1.00 0.00 C ATOM 1247 CD PRO B 17 14.734 -7.856 -10.461 1.00 0.00 C ATOM 0 HA PRO B 17 12.512 -8.649 -8.144 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.014 -6.318 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.692 -7.861 -7.317 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.558 -6.148 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.256 -7.676 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.251 -7.138 -11.125 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.490 -8.376 -11.049 1.00 0.00 H new ATOM 1255 N PRO B 18 11.551 -7.237 -10.465 1.00 0.00 N ATOM 1256 CA PRO B 18 10.728 -6.208 -11.116 1.00 0.00 C ATOM 1257 C PRO B 18 9.653 -5.648 -10.163 1.00 0.00 C ATOM 1258 O PRO B 18 9.397 -4.461 -10.195 1.00 0.00 O ATOM 1259 CB PRO B 18 10.210 -6.908 -12.369 1.00 0.00 C ATOM 1260 CG PRO B 18 10.276 -8.361 -12.059 1.00 0.00 C ATOM 1261 CD PRO B 18 11.468 -8.527 -11.157 1.00 0.00 C ATOM 0 HA PRO B 18 11.270 -5.303 -11.389 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.190 -6.600 -12.599 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.820 -6.663 -13.238 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.363 -8.699 -11.569 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.387 -8.951 -12.968 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.331 -9.351 -10.457 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.375 -8.738 -11.724 1.00 0.00 H new ATOM 1269 N PRO B 19 9.107 -6.464 -9.284 1.00 0.00 N ATOM 1270 CA PRO B 19 8.147 -5.921 -8.298 1.00 0.00 C ATOM 1271 C PRO B 19 8.967 -5.140 -7.267 1.00 0.00 C ATOM 1272 O PRO B 19 9.231 -5.615 -6.183 1.00 0.00 O ATOM 1273 CB PRO B 19 7.513 -7.158 -7.676 1.00 0.00 C ATOM 1274 CG PRO B 19 8.526 -8.239 -7.862 1.00 0.00 C ATOM 1275 CD PRO B 19 9.295 -7.912 -9.116 1.00 0.00 C ATOM 0 HA PRO B 19 7.386 -5.258 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.291 -7.001 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.572 -7.409 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.195 -8.293 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.041 -9.211 -7.950 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.350 -8.168 -9.015 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.913 -8.466 -9.974 1.00 0.00 H new ATOM 1283 N GLU B 20 9.422 -3.972 -7.642 1.00 0.00 N ATOM 1284 CA GLU B 20 10.294 -3.141 -6.745 1.00 0.00 C ATOM 1285 C GLU B 20 9.665 -2.848 -5.378 1.00 0.00 C ATOM 1286 O GLU B 20 9.592 -1.712 -4.968 1.00 0.00 O ATOM 1287 CB GLU B 20 10.500 -1.825 -7.503 1.00 0.00 C ATOM 1288 CG GLU B 20 9.186 -1.379 -8.154 1.00 0.00 C ATOM 1289 CD GLU B 20 9.203 0.137 -8.349 1.00 0.00 C ATOM 1290 OE1 GLU B 20 10.161 0.631 -8.919 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.257 0.779 -7.924 1.00 0.00 O ATOM 0 H GLU B 20 9.224 -3.548 -8.548 1.00 0.00 H new ATOM 0 HA GLU B 20 11.218 -3.677 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.855 -1.054 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.268 -1.953 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.055 -1.878 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.341 -1.666 -7.528 1.00 0.00 H new ATOM 1298 N CYS B 21 9.255 -3.840 -4.642 1.00 0.00 N ATOM 1299 CA CYS B 21 8.699 -3.532 -3.284 1.00 0.00 C ATOM 1300 C CYS B 21 9.860 -3.332 -2.301 1.00 0.00 C ATOM 1301 O CYS B 21 9.766 -2.559 -1.369 1.00 0.00 O ATOM 1302 CB CYS B 21 7.746 -4.669 -2.826 1.00 0.00 C ATOM 1303 SG CYS B 21 7.880 -6.161 -3.851 1.00 0.00 S ATOM 0 H CYS B 21 9.276 -4.825 -4.905 1.00 0.00 H new ATOM 0 HA CYS B 21 8.114 -2.613 -3.318 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.967 -4.925 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.718 -4.307 -2.853 1.00 0.00 H new ATOM 0 HG CYS B 21 7.994 -5.820 -5.100 1.00 0.00 H new ATOM 1309 N ILE B 22 10.967 -4.004 -2.514 1.00 0.00 N ATOM 1310 CA ILE B 22 12.138 -3.822 -1.599 1.00 0.00 C ATOM 1311 C ILE B 22 12.882 -2.554 -1.962 1.00 0.00 C ATOM 1312 O ILE B 22 13.096 -1.687 -1.151 1.00 0.00 O ATOM 1313 CB ILE B 22 13.075 -5.005 -1.836 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.390 -6.359 -1.602 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.267 -4.883 -0.893 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.980 -6.195 -1.012 1.00 0.00 C ATOM 0 H ILE B 22 11.109 -4.666 -3.277 1.00 0.00 H new ATOM 0 HA ILE B 22 11.806 -3.762 -0.563 1.00 0.00 H new ATOM 0 HB ILE B 22 13.388 -4.974 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.328 -6.902 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.998 -6.961 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.944 -5.722 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.793 -3.949 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.917 -4.890 0.139 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.532 -7.177 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.044 -5.676 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.363 -5.616 -1.699 1.00 0.00 H new ATOM 1328 N ASN B 23 13.308 -2.443 -3.179 1.00 0.00 N ATOM 1329 CA ASN B 23 14.051 -1.215 -3.556 1.00 0.00 C ATOM 1330 C ASN B 23 13.137 -0.003 -3.377 1.00 0.00 C ATOM 1331 O ASN B 23 13.466 0.923 -2.671 1.00 0.00 O ATOM 1332 CB ASN B 23 14.480 -1.393 -5.011 1.00 0.00 C ATOM 1333 CG ASN B 23 13.266 -1.402 -5.930 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.258 -1.995 -5.611 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.323 -0.760 -7.066 1.00 0.00 N ATOM 0 H ASN B 23 13.179 -3.133 -3.919 1.00 0.00 H new ATOM 0 HA ASN B 23 14.929 -1.053 -2.931 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.154 -0.586 -5.298 1.00 0.00 H new ATOM 0 HB3 ASN B 23 15.033 -2.326 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.516 -0.756 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.174 -0.263 -7.329 1.00 0.00 H new ATOM 1342 N ASP B 24 11.959 -0.016 -3.939 1.00 0.00 N ATOM 1343 CA ASP B 24 11.058 1.141 -3.723 1.00 0.00 C ATOM 1344 C ASP B 24 10.932 1.349 -2.229 1.00 0.00 C ATOM 1345 O ASP B 24 10.603 2.416 -1.753 1.00 0.00 O ATOM 1346 CB ASP B 24 9.716 0.735 -4.321 1.00 0.00 C ATOM 1347 CG ASP B 24 8.795 1.955 -4.397 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.184 3.000 -3.902 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.717 1.823 -4.953 1.00 0.00 O ATOM 0 H ASP B 24 11.590 -0.764 -4.527 1.00 0.00 H new ATOM 0 HA ASP B 24 11.419 2.063 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.862 0.315 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.256 -0.043 -3.712 1.00 0.00 H new ATOM 1354 N LEU B 25 11.212 0.319 -1.485 1.00 0.00 N ATOM 1355 CA LEU B 25 11.134 0.422 -0.027 1.00 0.00 C ATOM 1356 C LEU B 25 12.445 0.915 0.523 1.00 0.00 C ATOM 1357 O LEU B 25 12.553 1.943 1.161 1.00 0.00 O ATOM 1358 CB LEU B 25 10.907 -1.014 0.462 1.00 0.00 C ATOM 1359 CG LEU B 25 11.530 -1.222 1.866 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.447 -1.245 2.924 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.310 -2.532 1.899 1.00 0.00 C ATOM 0 H LEU B 25 11.494 -0.595 -1.840 1.00 0.00 H new ATOM 0 HA LEU B 25 10.349 1.109 0.288 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.838 -1.226 0.498 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.348 -1.718 -0.244 1.00 0.00 H new ATOM 0 HG LEU B 25 12.208 -0.394 2.073 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.899 -1.392 3.905 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.906 -0.299 2.912 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.754 -2.061 2.718 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.745 -2.672 2.889 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.638 -3.361 1.678 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.105 -2.501 1.154 1.00 0.00 H new ATOM 1373 N LEU B 26 13.420 0.099 0.337 1.00 0.00 N ATOM 1374 CA LEU B 26 14.732 0.364 0.887 1.00 0.00 C ATOM 1375 C LEU B 26 15.402 1.533 0.184 1.00 0.00 C ATOM 1376 O LEU B 26 16.417 2.032 0.629 1.00 0.00 O ATOM 1377 CB LEU B 26 15.469 -0.938 0.657 1.00 0.00 C ATOM 1378 CG LEU B 26 16.941 -0.689 0.797 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.215 -0.272 2.228 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.713 -1.962 0.466 1.00 0.00 C ATOM 0 H LEU B 26 13.348 -0.769 -0.194 1.00 0.00 H new ATOM 0 HA LEU B 26 14.710 0.654 1.938 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.143 -1.689 1.377 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.245 -1.329 -0.335 1.00 0.00 H new ATOM 0 HG LEU B 26 17.260 0.096 0.111 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.281 -0.085 2.355 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.658 0.637 2.455 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.903 -1.068 2.905 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.782 -1.776 0.569 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.415 -2.756 1.150 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.494 -2.264 -0.558 1.00 0.00 H new ATOM 1392 N GLN B 27 14.834 2.009 -0.882 1.00 0.00 N ATOM 1393 CA GLN B 27 15.434 3.165 -1.549 1.00 0.00 C ATOM 1394 C GLN B 27 15.245 4.372 -0.628 1.00 0.00 C ATOM 1395 O GLN B 27 15.729 5.455 -0.889 1.00 0.00 O ATOM 1396 CB GLN B 27 14.636 3.320 -2.836 1.00 0.00 C ATOM 1397 CG GLN B 27 15.095 2.260 -3.835 1.00 0.00 C ATOM 1398 CD GLN B 27 16.107 2.847 -4.812 1.00 0.00 C ATOM 1399 OE1 GLN B 27 16.081 4.025 -5.107 1.00 0.00 O ATOM 1400 NE2 GLN B 27 17.007 2.058 -5.324 1.00 0.00 N ATOM 0 H GLN B 27 13.984 1.643 -1.311 1.00 0.00 H new ATOM 0 HA GLN B 27 16.498 3.064 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.570 3.211 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.781 4.317 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.540 1.419 -3.303 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.236 1.872 -4.382 1.00 0.00 H new ATOM 0 HE21 GLN B 27 17.022 1.070 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.697 2.428 -5.978 1.00 0.00 H new ATOM 1409 N ALA B 28 14.511 4.184 0.453 1.00 0.00 N ATOM 1410 CA ALA B 28 14.256 5.301 1.385 1.00 0.00 C ATOM 1411 C ALA B 28 14.812 5.027 2.793 1.00 0.00 C ATOM 1412 O ALA B 28 15.001 5.954 3.556 1.00 0.00 O ATOM 1413 CB ALA B 28 12.733 5.412 1.439 1.00 0.00 C ATOM 0 H ALA B 28 14.084 3.296 0.716 1.00 0.00 H new ATOM 0 HA ALA B 28 14.746 6.214 1.047 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.451 6.222 2.112 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.348 5.619 0.441 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.313 4.475 1.803 1.00 0.00 H new ATOM 1419 N VAL B 29 15.067 3.793 3.187 1.00 0.00 N ATOM 1420 CA VAL B 29 15.583 3.610 4.573 1.00 0.00 C ATOM 1421 C VAL B 29 17.056 3.245 4.561 1.00 0.00 C ATOM 1422 O VAL B 29 17.622 2.901 5.577 1.00 0.00 O ATOM 1423 CB VAL B 29 14.696 2.528 5.219 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.205 1.529 4.173 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.473 1.773 6.300 1.00 0.00 C ATOM 0 H VAL B 29 14.945 2.946 2.632 1.00 0.00 H new ATOM 0 HA VAL B 29 15.528 4.530 5.155 1.00 0.00 H new ATOM 0 HB VAL B 29 13.838 3.029 5.667 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.581 0.776 4.654 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.622 2.053 3.415 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.061 1.045 3.702 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.831 1.013 6.745 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.346 1.295 5.854 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.796 2.472 7.071 1.00 0.00 H new ATOM 1435 N ASP B 30 17.701 3.372 3.441 1.00 0.00 N ATOM 1436 CA ASP B 30 19.152 3.075 3.414 1.00 0.00 C ATOM 1437 C ASP B 30 19.413 1.773 4.132 1.00 0.00 C ATOM 1438 O ASP B 30 19.556 1.746 5.339 1.00 0.00 O ATOM 1439 CB ASP B 30 19.759 4.212 4.215 1.00 0.00 C ATOM 1440 CG ASP B 30 20.121 5.374 3.287 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.882 5.254 2.097 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.633 6.364 3.784 1.00 0.00 O ATOM 0 H ASP B 30 17.292 3.665 2.554 1.00 0.00 H new ATOM 0 HA ASP B 30 19.554 2.989 2.404 1.00 0.00 H new ATOM 0 HB2 ASP B 30 19.054 4.549 4.975 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.649 3.864 4.739 1.00 0.00 H new ATOM 1447 N SER B 31 19.443 0.680 3.449 1.00 0.00 N ATOM 1448 CA SER B 31 19.641 -0.560 4.201 1.00 0.00 C ATOM 1449 C SER B 31 20.007 -1.702 3.254 1.00 0.00 C ATOM 1450 O SER B 31 19.257 -2.635 3.063 1.00 0.00 O ATOM 1451 CB SER B 31 18.263 -0.708 4.842 1.00 0.00 C ATOM 1452 OG SER B 31 18.409 -1.131 6.182 1.00 0.00 O ATOM 0 H SER B 31 19.343 0.593 2.438 1.00 0.00 H new ATOM 0 HA SER B 31 20.454 -0.563 4.928 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.729 0.242 4.806 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.667 -1.430 4.285 1.00 0.00 H new ATOM 0 HG SER B 31 17.629 -1.664 6.444 1.00 0.00 H new ATOM 1458 N GLN B 32 21.164 -1.615 2.651 1.00 0.00 N ATOM 1459 CA GLN B 32 21.595 -2.670 1.695 1.00 0.00 C ATOM 1460 C GLN B 32 21.380 -4.056 2.293 1.00 0.00 C ATOM 1461 O GLN B 32 21.284 -5.027 1.583 1.00 0.00 O ATOM 1462 CB GLN B 32 23.083 -2.413 1.458 1.00 0.00 C ATOM 1463 CG GLN B 32 23.465 -2.936 0.074 1.00 0.00 C ATOM 1464 CD GLN B 32 24.411 -1.949 -0.604 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.447 -1.610 -0.065 1.00 0.00 O ATOM 1466 NE2 GLN B 32 24.098 -1.471 -1.775 1.00 0.00 N ATOM 0 H GLN B 32 21.830 -0.854 2.782 1.00 0.00 H new ATOM 0 HA GLN B 32 21.023 -2.637 0.768 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.297 -1.347 1.529 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.677 -2.909 2.225 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.943 -3.911 0.162 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.570 -3.073 -0.533 1.00 0.00 H new ATOM 0 HE21 GLN B 32 23.229 -1.756 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.722 -0.812 -2.240 1.00 0.00 H new ATOM 1475 N GLU B 33 21.278 -4.167 3.583 1.00 0.00 N ATOM 1476 CA GLU B 33 21.042 -5.512 4.170 1.00 0.00 C ATOM 1477 C GLU B 33 19.677 -6.003 3.712 1.00 0.00 C ATOM 1478 O GLU B 33 19.420 -7.186 3.613 1.00 0.00 O ATOM 1479 CB GLU B 33 21.058 -5.311 5.681 1.00 0.00 C ATOM 1480 CG GLU B 33 22.272 -4.464 6.078 1.00 0.00 C ATOM 1481 CD GLU B 33 23.153 -5.254 7.048 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.680 -5.562 8.131 1.00 0.00 O ATOM 1483 OE2 GLU B 33 24.284 -5.539 6.692 1.00 0.00 O ATOM 0 H GLU B 33 21.346 -3.398 4.250 1.00 0.00 H new ATOM 0 HA GLU B 33 21.790 -6.245 3.867 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.139 -4.820 6.002 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.096 -6.277 6.185 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.844 -4.191 5.191 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.943 -3.535 6.543 1.00 0.00 H new ATOM 1490 N VAL B 34 18.803 -5.084 3.418 1.00 0.00 N ATOM 1491 CA VAL B 34 17.450 -5.461 2.948 1.00 0.00 C ATOM 1492 C VAL B 34 17.520 -5.787 1.454 1.00 0.00 C ATOM 1493 O VAL B 34 16.922 -6.737 0.989 1.00 0.00 O ATOM 1494 CB VAL B 34 16.584 -4.231 3.265 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.581 -3.969 2.142 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.829 -4.491 4.570 1.00 0.00 C ATOM 0 H VAL B 34 18.973 -4.080 3.485 1.00 0.00 H new ATOM 0 HA VAL B 34 17.033 -6.348 3.425 1.00 0.00 H new ATOM 0 HB VAL B 34 17.227 -3.356 3.361 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.979 -3.094 2.388 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.117 -3.790 1.210 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.930 -4.836 2.026 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.209 -3.627 4.810 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.196 -5.371 4.455 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.543 -4.660 5.376 1.00 0.00 H new ATOM 1506 N ARG B 35 18.282 -5.040 0.707 1.00 0.00 N ATOM 1507 CA ARG B 35 18.428 -5.350 -0.738 1.00 0.00 C ATOM 1508 C ARG B 35 19.422 -6.497 -0.871 1.00 0.00 C ATOM 1509 O ARG B 35 19.196 -7.457 -1.580 1.00 0.00 O ATOM 1510 CB ARG B 35 18.999 -4.090 -1.348 1.00 0.00 C ATOM 1511 CG ARG B 35 17.981 -3.455 -2.294 1.00 0.00 C ATOM 1512 CD ARG B 35 18.727 -2.884 -3.494 1.00 0.00 C ATOM 1513 NE ARG B 35 17.678 -2.591 -4.509 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.971 -1.888 -5.570 1.00 0.00 C ATOM 1515 NH1 ARG B 35 19.077 -1.193 -5.613 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.160 -1.882 -6.592 1.00 0.00 N ATOM 0 H ARG B 35 18.808 -4.230 1.035 1.00 0.00 H new ATOM 0 HA ARG B 35 17.495 -5.640 -1.221 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.265 -3.384 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.915 -4.323 -1.891 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.252 -4.197 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.428 -2.668 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.274 -1.981 -3.223 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.457 -3.596 -3.878 1.00 0.00 H new ATOM 0 HE ARG B 35 16.729 -2.940 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.714 -1.199 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG B 35 19.303 -0.645 -6.443 1.00 0.00 H new ATOM 0 HH21 ARG B 35 16.298 -2.426 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.388 -1.333 -7.421 1.00 0.00 H new ATOM 1530 N ASP B 36 20.507 -6.423 -0.141 1.00 0.00 N ATOM 1531 CA ASP B 36 21.491 -7.531 -0.172 1.00 0.00 C ATOM 1532 C ASP B 36 20.726 -8.785 0.193 1.00 0.00 C ATOM 1533 O ASP B 36 21.033 -9.882 -0.219 1.00 0.00 O ATOM 1534 CB ASP B 36 22.525 -7.199 0.905 1.00 0.00 C ATOM 1535 CG ASP B 36 23.754 -8.091 0.726 1.00 0.00 C ATOM 1536 OD1 ASP B 36 24.416 -7.957 -0.290 1.00 0.00 O ATOM 1537 OD2 ASP B 36 24.014 -8.894 1.607 1.00 0.00 O ATOM 0 H ASP B 36 20.747 -5.643 0.471 1.00 0.00 H new ATOM 0 HA ASP B 36 21.983 -7.667 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.812 -6.150 0.838 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.095 -7.349 1.895 1.00 0.00 H new ATOM 1542 N TYR B 37 19.686 -8.583 0.947 1.00 0.00 N ATOM 1543 CA TYR B 37 18.805 -9.673 1.358 1.00 0.00 C ATOM 1544 C TYR B 37 17.893 -9.984 0.178 1.00 0.00 C ATOM 1545 O TYR B 37 17.791 -11.101 -0.279 1.00 0.00 O ATOM 1546 CB TYR B 37 18.027 -9.083 2.529 1.00 0.00 C ATOM 1547 CG TYR B 37 16.702 -9.771 2.613 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.672 -9.359 1.770 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.526 -10.860 3.468 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.464 -10.034 1.770 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.304 -11.534 3.485 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.274 -11.127 2.632 1.00 0.00 C ATOM 1553 OH TYR B 37 13.079 -11.818 2.631 1.00 0.00 O ATOM 0 H TYR B 37 19.412 -7.667 1.301 1.00 0.00 H new ATOM 0 HA TYR B 37 19.308 -10.597 1.644 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.582 -9.215 3.458 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.889 -8.011 2.390 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.817 -8.512 1.116 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.331 -11.179 4.113 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.669 -9.721 1.109 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.155 -12.368 4.155 1.00 0.00 H new ATOM 0 HH TYR B 37 12.617 -11.674 3.483 1.00 0.00 H new ATOM 1563 N CYS B 38 17.251 -8.975 -0.328 1.00 0.00 N ATOM 1564 CA CYS B 38 16.346 -9.153 -1.485 1.00 0.00 C ATOM 1565 C CYS B 38 17.070 -9.917 -2.592 1.00 0.00 C ATOM 1566 O CYS B 38 16.579 -10.902 -3.103 1.00 0.00 O ATOM 1567 CB CYS B 38 16.020 -7.725 -1.902 1.00 0.00 C ATOM 1568 SG CYS B 38 14.633 -7.711 -3.053 1.00 0.00 S ATOM 0 H CYS B 38 17.318 -8.018 0.019 1.00 0.00 H new ATOM 0 HA CYS B 38 15.447 -9.728 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.778 -7.128 -1.023 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.892 -7.267 -2.368 1.00 0.00 H new ATOM 0 HG CYS B 38 14.157 -8.915 -3.173 1.00 0.00 H new ATOM 1574 N GLU B 39 18.248 -9.496 -2.946 1.00 0.00 N ATOM 1575 CA GLU B 39 19.002 -10.232 -3.985 1.00 0.00 C ATOM 1576 C GLU B 39 19.519 -11.526 -3.369 1.00 0.00 C ATOM 1577 O GLU B 39 19.969 -12.417 -4.060 1.00 0.00 O ATOM 1578 CB GLU B 39 20.158 -9.312 -4.358 1.00 0.00 C ATOM 1579 CG GLU B 39 20.957 -9.003 -3.094 1.00 0.00 C ATOM 1580 CD GLU B 39 22.311 -9.710 -3.160 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.317 -10.930 -3.202 1.00 0.00 O ATOM 1582 OE2 GLU B 39 23.317 -9.021 -3.168 1.00 0.00 O ATOM 0 H GLU B 39 18.718 -8.677 -2.561 1.00 0.00 H new ATOM 0 HA GLU B 39 18.404 -10.488 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.796 -9.788 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.781 -8.391 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU B 39 21.101 -7.927 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.406 -9.332 -2.213 1.00 0.00 H new ATOM 1589 N LYS B 40 19.404 -11.663 -2.069 1.00 0.00 N ATOM 1590 CA LYS B 40 19.831 -12.926 -1.441 1.00 0.00 C ATOM 1591 C LYS B 40 18.635 -13.835 -1.534 1.00 0.00 C ATOM 1592 O LYS B 40 18.725 -15.034 -1.704 1.00 0.00 O ATOM 1593 CB LYS B 40 20.133 -12.616 0.024 1.00 0.00 C ATOM 1594 CG LYS B 40 20.492 -13.910 0.750 1.00 0.00 C ATOM 1595 CD LYS B 40 21.226 -13.563 2.041 1.00 0.00 C ATOM 1596 CE LYS B 40 20.604 -14.332 3.208 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.165 -15.707 3.106 1.00 0.00 N ATOM 0 H LYS B 40 19.036 -10.956 -1.433 1.00 0.00 H new ATOM 0 HA LYS B 40 20.707 -13.377 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.956 -11.905 0.095 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.268 -12.149 0.495 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.590 -14.481 0.971 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.119 -14.537 0.116 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.283 -13.814 1.949 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.168 -12.491 2.227 1.00 0.00 H new ATOM 0 HE2 LYS B 40 20.857 -13.872 4.163 1.00 0.00 H new ATOM 0 HE3 LYS B 40 19.516 -14.343 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.797 -16.291 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 20.888 -16.128 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 22.202 -15.664 3.166 1.00 0.00 H new ATOM 1611 N LYS B 41 17.500 -13.215 -1.444 1.00 0.00 N ATOM 1612 CA LYS B 41 16.230 -13.936 -1.545 1.00 0.00 C ATOM 1613 C LYS B 41 16.100 -14.440 -2.952 1.00 0.00 C ATOM 1614 O LYS B 41 15.994 -15.618 -3.231 1.00 0.00 O ATOM 1615 CB LYS B 41 15.179 -12.870 -1.349 1.00 0.00 C ATOM 1616 CG LYS B 41 15.339 -12.107 -0.051 1.00 0.00 C ATOM 1617 CD LYS B 41 16.103 -12.931 0.971 1.00 0.00 C ATOM 1618 CE LYS B 41 15.141 -13.904 1.639 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.006 -14.889 2.346 1.00 0.00 N ATOM 0 H LYS B 41 17.407 -12.209 -1.301 1.00 0.00 H new ATOM 0 HA LYS B 41 16.149 -14.761 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.222 -12.169 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.192 -13.333 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.866 -11.171 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.358 -11.847 0.346 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.914 -13.475 0.486 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.558 -12.279 1.717 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.481 -13.388 2.337 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.505 -14.396 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.410 -15.591 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.618 -15.371 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.595 -14.394 3.046 1.00 0.00 H new ATOM 1633 N GLY B 42 16.144 -13.501 -3.845 1.00 0.00 N ATOM 1634 CA GLY B 42 16.064 -13.826 -5.273 1.00 0.00 C ATOM 1635 C GLY B 42 15.182 -12.849 -6.052 1.00 0.00 C ATOM 1636 O GLY B 42 14.286 -13.235 -6.770 1.00 0.00 O ATOM 0 H GLY B 42 16.234 -12.507 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.067 -13.822 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.672 -14.836 -5.390 1.00 0.00 H new ATOM 1640 N TRP B 43 15.486 -11.589 -5.965 1.00 0.00 N ATOM 1641 CA TRP B 43 14.737 -10.579 -6.767 1.00 0.00 C ATOM 1642 C TRP B 43 15.793 -9.882 -7.518 1.00 0.00 C ATOM 1643 O TRP B 43 15.776 -9.705 -8.720 1.00 0.00 O ATOM 1644 CB TRP B 43 14.099 -9.505 -5.900 1.00 0.00 C ATOM 1645 CG TRP B 43 13.569 -10.008 -4.613 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.085 -11.020 -3.914 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.461 -9.496 -3.812 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.381 -11.178 -2.789 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.389 -10.274 -2.649 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.531 -8.460 -3.967 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.459 -10.056 -1.660 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.574 -8.223 -2.970 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.539 -9.017 -1.810 1.00 0.00 C ATOM 0 H TRP B 43 16.224 -11.209 -5.371 1.00 0.00 H new ATOM 0 HA TRP B 43 13.957 -11.069 -7.349 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.837 -8.729 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.288 -9.037 -6.457 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.936 -11.616 -4.210 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.574 -11.909 -2.104 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.551 -7.844 -4.854 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.441 -10.680 -0.779 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.858 -7.424 -3.094 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.806 -8.824 -1.041 1.00 0.00 H new ATOM 1664 N ILE B 44 16.759 -9.542 -6.736 1.00 0.00 N ATOM 1665 CA ILE B 44 17.979 -8.886 -7.198 1.00 0.00 C ATOM 1666 C ILE B 44 17.780 -7.393 -7.338 1.00 0.00 C ATOM 1667 O ILE B 44 18.568 -6.702 -7.950 1.00 0.00 O ATOM 1668 CB ILE B 44 18.314 -9.483 -8.544 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.080 -10.990 -8.533 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.784 -9.201 -8.836 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.510 -11.403 -9.886 1.00 0.00 C ATOM 0 H ILE B 44 16.742 -9.707 -5.730 1.00 0.00 H new ATOM 0 HA ILE B 44 18.783 -9.040 -6.478 1.00 0.00 H new ATOM 0 HB ILE B 44 17.676 -9.041 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.014 -11.517 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.390 -11.260 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.050 -9.623 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.952 -8.124 -8.851 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.402 -9.654 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.337 -12.479 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.568 -10.882 -10.058 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.217 -11.143 -10.673 1.00 0.00 H new ATOM 1683 N VAL B 45 16.719 -6.920 -6.786 1.00 0.00 N ATOM 1684 CA VAL B 45 16.386 -5.471 -6.860 1.00 0.00 C ATOM 1685 C VAL B 45 17.655 -4.618 -6.964 1.00 0.00 C ATOM 1686 O VAL B 45 18.346 -4.390 -5.991 1.00 0.00 O ATOM 1687 CB VAL B 45 15.655 -5.189 -5.556 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.250 -5.796 -5.599 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.443 -5.785 -4.385 1.00 0.00 C ATOM 0 H VAL B 45 16.043 -7.484 -6.270 1.00 0.00 H new ATOM 0 HA VAL B 45 15.788 -5.229 -7.738 1.00 0.00 H new ATOM 0 HB VAL B 45 15.569 -4.111 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.735 -5.589 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.690 -5.358 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.324 -6.874 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.918 -5.582 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.538 -6.862 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.435 -5.335 -4.348 1.00 0.00 H new