USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 68 SER OG : rot -93:sc= 0.57 USER MOD Set 1.2: A 70 HIS :FLIP no HD1:sc= -0.277 F(o=-2.2,f=0.29) USER MOD Set 2.1: A 52 ASN : amide:sc= -0.152 K(o=-0.18,f=-3.5) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.0283 X(o=-0.18,f=0.11) USER MOD Set 3.1: A 32 SER OG : rot 178:sc= 0.806 USER MOD Set 3.2: A 48 THR OG1 : rot 120:sc= 1.11 USER MOD Single : A 25 THR OG1 : rot -20:sc= 0.474 USER MOD Single : A 33 SER OG : rot 22:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -160:sc= -1.5 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.281 F(o=-1,f=-0.28) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.52) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.54) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 91 SER OG : rot -60:sc= 0.377 USER MOD Single : A 92 SER OG : rot 12:sc= 0.446 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -1.02 F(o=-2.1,f=-1) USER MOD Single : A 94 TYR OH : rot 100:sc= 0.0179 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.71 K(o=-2.7,f=-11!) USER MOD Single : A 103 ASN : amide:sc= 0.508 K(o=0.51,f=-1.9!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 175:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 286 N ASP A 23 0.602 -7.716 -4.394 1.00 0.00 N ATOM 287 CA ASP A 23 1.091 -8.747 -3.485 1.00 0.00 C ATOM 288 C ASP A 23 1.676 -8.124 -2.221 1.00 0.00 C ATOM 289 O ASP A 23 2.673 -7.405 -2.277 1.00 0.00 O ATOM 290 CB ASP A 23 2.146 -9.609 -4.179 1.00 0.00 C ATOM 291 CG ASP A 23 1.538 -10.781 -4.924 1.00 0.00 C ATOM 292 OD1 ASP A 23 1.177 -11.779 -4.267 1.00 0.00 O ATOM 293 OD2 ASP A 23 1.422 -10.700 -6.165 1.00 0.00 O ATOM 0 HA ASP A 23 0.248 -9.377 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.712 -8.993 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.852 -9.981 -3.437 1.00 0.00 H new ATOM 298 N GLU A 24 1.048 -8.405 -1.084 1.00 0.00 N ATOM 299 CA GLU A 24 1.506 -7.870 0.193 1.00 0.00 C ATOM 300 C GLU A 24 1.749 -8.993 1.198 1.00 0.00 C ATOM 301 O GLU A 24 1.470 -8.847 2.388 1.00 0.00 O ATOM 302 CB GLU A 24 0.482 -6.881 0.754 1.00 0.00 C ATOM 303 CG GLU A 24 1.084 -5.847 1.691 1.00 0.00 C ATOM 304 CD GLU A 24 0.031 -5.083 2.470 1.00 0.00 C ATOM 305 OE1 GLU A 24 -0.589 -4.169 1.888 1.00 0.00 O ATOM 306 OE2 GLU A 24 -0.172 -5.399 3.661 1.00 0.00 O ATOM 0 H GLU A 24 0.222 -8.999 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 24 2.448 -7.349 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.006 -6.368 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.291 -7.435 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.758 -6.343 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.684 -5.144 1.113 1.00 0.00 H new ATOM 313 N THR A 25 2.269 -10.114 0.709 1.00 0.00 N ATOM 314 CA THR A 25 2.548 -11.263 1.561 1.00 0.00 C ATOM 315 C THR A 25 4.037 -11.586 1.578 1.00 0.00 C ATOM 316 O THR A 25 4.498 -12.394 2.385 1.00 0.00 O ATOM 317 CB THR A 25 1.768 -12.508 1.099 1.00 0.00 C ATOM 318 OG1 THR A 25 2.039 -13.608 1.974 1.00 0.00 O ATOM 319 CG2 THR A 25 2.144 -12.883 -0.327 1.00 0.00 C ATOM 0 H THR A 25 2.506 -10.251 -0.274 1.00 0.00 H new ATOM 0 HA THR A 25 2.226 -10.996 2.568 1.00 0.00 H new ATOM 0 HB THR A 25 0.704 -12.275 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.871 -13.440 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.581 -13.765 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.910 -12.054 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.211 -13.099 -0.377 1.00 0.00 H new ATOM 327 N ARG A 26 4.786 -10.951 0.683 1.00 0.00 N ATOM 328 CA ARG A 26 6.225 -11.173 0.595 1.00 0.00 C ATOM 329 C ARG A 26 6.983 -9.850 0.648 1.00 0.00 C ATOM 330 O ARG A 26 6.463 -8.807 0.249 1.00 0.00 O ATOM 331 CB ARG A 26 6.569 -11.919 -0.696 1.00 0.00 C ATOM 332 CG ARG A 26 6.151 -11.180 -1.956 1.00 0.00 C ATOM 333 CD ARG A 26 6.343 -12.040 -3.196 1.00 0.00 C ATOM 334 NE ARG A 26 5.409 -13.161 -3.235 1.00 0.00 N ATOM 335 CZ ARG A 26 5.192 -13.900 -4.317 1.00 0.00 C ATOM 336 NH1 ARG A 26 5.839 -13.637 -5.444 1.00 0.00 N ATOM 337 NH2 ARG A 26 4.326 -14.904 -4.274 1.00 0.00 N ATOM 0 H ARG A 26 4.421 -10.279 0.008 1.00 0.00 H new ATOM 0 HA ARG A 26 6.527 -11.780 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.644 -12.095 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.086 -12.896 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.105 -10.884 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.735 -10.265 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.210 -11.426 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.365 -12.419 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 26 4.895 -13.389 -2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.505 -12.866 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.671 -14.206 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.826 -15.109 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.160 -15.471 -5.106 1.00 0.00 H new ATOM 351 N VAL A 27 8.215 -9.899 1.145 1.00 0.00 N ATOM 352 CA VAL A 27 9.045 -8.705 1.250 1.00 0.00 C ATOM 353 C VAL A 27 9.814 -8.455 -0.042 1.00 0.00 C ATOM 354 O VAL A 27 10.216 -9.383 -0.744 1.00 0.00 O ATOM 355 CB VAL A 27 10.045 -8.818 2.416 1.00 0.00 C ATOM 356 CG1 VAL A 27 9.312 -9.052 3.728 1.00 0.00 C ATOM 357 CG2 VAL A 27 11.049 -9.931 2.151 1.00 0.00 C ATOM 0 H VAL A 27 8.660 -10.753 1.481 1.00 0.00 H new ATOM 0 HA VAL A 27 8.373 -7.868 1.437 1.00 0.00 H new ATOM 0 HB VAL A 27 10.591 -7.878 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.035 -9.129 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.637 -8.218 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.738 -9.976 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.748 -9.997 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.522 -10.879 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.598 -9.715 1.234 1.00 0.00 H new ATOM 367 N PRO A 28 10.025 -7.170 -0.366 1.00 0.00 N ATOM 368 CA PRO A 28 10.749 -6.767 -1.575 1.00 0.00 C ATOM 369 C PRO A 28 12.236 -7.094 -1.497 1.00 0.00 C ATOM 370 O PRO A 28 12.986 -6.444 -0.769 1.00 0.00 O ATOM 371 CB PRO A 28 10.536 -5.252 -1.627 1.00 0.00 C ATOM 372 CG PRO A 28 10.292 -4.855 -0.212 1.00 0.00 C ATOM 373 CD PRO A 28 9.575 -6.013 0.425 1.00 0.00 C ATOM 0 HA PRO A 28 10.389 -7.293 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.409 -4.743 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.689 -4.993 -2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 28 11.230 -4.646 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.691 -3.947 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.838 -6.119 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.493 -5.891 0.378 1.00 0.00 H new ATOM 381 N GLU A 29 12.656 -8.104 -2.252 1.00 0.00 N ATOM 382 CA GLU A 29 14.055 -8.517 -2.266 1.00 0.00 C ATOM 383 C GLU A 29 14.947 -7.395 -2.790 1.00 0.00 C ATOM 384 O GLU A 29 14.461 -6.403 -3.333 1.00 0.00 O ATOM 385 CB GLU A 29 14.231 -9.768 -3.129 1.00 0.00 C ATOM 386 CG GLU A 29 13.758 -9.592 -4.562 1.00 0.00 C ATOM 387 CD GLU A 29 14.807 -8.948 -5.448 1.00 0.00 C ATOM 388 OE1 GLU A 29 15.954 -9.441 -5.464 1.00 0.00 O ATOM 389 OE2 GLU A 29 14.481 -7.950 -6.124 1.00 0.00 O ATOM 0 H GLU A 29 12.048 -8.651 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 29 14.351 -8.746 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.284 -10.049 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.683 -10.593 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.488 -10.565 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.856 -8.980 -4.570 1.00 0.00 H new ATOM 396 N VAL A 30 16.255 -7.559 -2.621 1.00 0.00 N ATOM 397 CA VAL A 30 17.216 -6.562 -3.075 1.00 0.00 C ATOM 398 C VAL A 30 16.750 -5.897 -4.366 1.00 0.00 C ATOM 399 O VAL A 30 16.273 -6.552 -5.293 1.00 0.00 O ATOM 400 CB VAL A 30 18.606 -7.185 -3.305 1.00 0.00 C ATOM 401 CG1 VAL A 30 18.498 -8.421 -4.186 1.00 0.00 C ATOM 402 CG2 VAL A 30 19.552 -6.165 -3.919 1.00 0.00 C ATOM 0 H VAL A 30 16.673 -8.374 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 30 17.288 -5.811 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 30 19.012 -7.489 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 30 19.490 -8.848 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.856 -9.157 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 30 18.071 -8.145 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 30 20.529 -6.622 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 19.153 -5.828 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 30 19.653 -5.312 -3.248 1.00 0.00 H new ATOM 412 N PRO A 31 16.889 -4.565 -4.429 1.00 0.00 N ATOM 413 CA PRO A 31 16.489 -3.782 -5.602 1.00 0.00 C ATOM 414 C PRO A 31 17.394 -4.032 -6.803 1.00 0.00 C ATOM 415 O PRO A 31 18.330 -4.829 -6.732 1.00 0.00 O ATOM 416 CB PRO A 31 16.623 -2.334 -5.124 1.00 0.00 C ATOM 417 CG PRO A 31 17.635 -2.387 -4.032 1.00 0.00 C ATOM 418 CD PRO A 31 17.450 -3.720 -3.361 1.00 0.00 C ATOM 0 HA PRO A 31 15.487 -4.042 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.947 -1.679 -5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.670 -1.947 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.645 -2.287 -4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.489 -1.570 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.394 -4.117 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.775 -3.650 -2.508 1.00 0.00 H new ATOM 426 N SER A 32 17.110 -3.347 -7.906 1.00 0.00 N ATOM 427 CA SER A 32 17.897 -3.498 -9.124 1.00 0.00 C ATOM 428 C SER A 32 19.347 -3.086 -8.888 1.00 0.00 C ATOM 429 O SER A 32 20.276 -3.763 -9.329 1.00 0.00 O ATOM 430 CB SER A 32 17.294 -2.660 -10.253 1.00 0.00 C ATOM 431 OG SER A 32 17.774 -1.328 -10.212 1.00 0.00 O ATOM 0 H SER A 32 16.340 -2.682 -7.981 1.00 0.00 H new ATOM 0 HA SER A 32 17.878 -4.549 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.541 -3.109 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.207 -2.661 -10.170 1.00 0.00 H new ATOM 0 HG SER A 32 17.400 -0.822 -10.963 1.00 0.00 H new ATOM 437 N SER A 33 19.533 -1.971 -8.190 1.00 0.00 N ATOM 438 CA SER A 33 20.869 -1.465 -7.898 1.00 0.00 C ATOM 439 C SER A 33 20.801 -0.246 -6.982 1.00 0.00 C ATOM 440 O SER A 33 19.720 0.171 -6.564 1.00 0.00 O ATOM 441 CB SER A 33 21.595 -1.102 -9.195 1.00 0.00 C ATOM 442 OG SER A 33 22.273 -2.225 -9.731 1.00 0.00 O ATOM 0 H SER A 33 18.775 -1.400 -7.816 1.00 0.00 H new ATOM 0 HA SER A 33 21.424 -2.251 -7.387 1.00 0.00 H new ATOM 0 HB2 SER A 33 20.878 -0.724 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 33 22.308 -0.300 -9.004 1.00 0.00 H new ATOM 0 HG SER A 33 21.874 -3.047 -9.377 1.00 0.00 H new ATOM 448 N LEU A 34 21.962 0.320 -6.675 1.00 0.00 N ATOM 449 CA LEU A 34 22.037 1.491 -5.808 1.00 0.00 C ATOM 450 C LEU A 34 23.199 2.393 -6.210 1.00 0.00 C ATOM 451 O LEU A 34 24.363 1.997 -6.129 1.00 0.00 O ATOM 452 CB LEU A 34 22.191 1.062 -4.348 1.00 0.00 C ATOM 453 CG LEU A 34 22.985 2.010 -3.450 1.00 0.00 C ATOM 454 CD1 LEU A 34 22.240 3.323 -3.267 1.00 0.00 C ATOM 455 CD2 LEU A 34 23.262 1.360 -2.102 1.00 0.00 C ATOM 0 H LEU A 34 22.865 -0.013 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 34 21.110 2.053 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 34 21.196 0.937 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 34 22.673 0.085 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 34 23.939 2.222 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.821 3.985 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 22.093 3.796 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.271 3.130 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 34 23.828 2.049 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 34 22.318 1.118 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 23.839 0.447 -2.250 1.00 0.00 H new ATOM 467 N HIS A 35 22.877 3.608 -6.642 1.00 0.00 N ATOM 468 CA HIS A 35 23.896 4.568 -7.054 1.00 0.00 C ATOM 469 C HIS A 35 24.070 5.660 -6.002 1.00 0.00 C ATOM 470 O HIS A 35 23.093 6.174 -5.458 1.00 0.00 O ATOM 471 CB HIS A 35 23.523 5.194 -8.398 1.00 0.00 C ATOM 472 CG HIS A 35 24.475 6.259 -8.847 1.00 0.00 C ATOM 473 ND1 HIS A 35 24.090 7.562 -9.084 1.00 0.00 N ATOM 474 CD2 HIS A 35 25.804 6.209 -9.102 1.00 0.00 C ATOM 475 CE1 HIS A 35 25.140 8.267 -9.466 1.00 0.00 C ATOM 476 NE2 HIS A 35 26.193 7.469 -9.485 1.00 0.00 N ATOM 0 H HIS A 35 21.919 3.951 -6.716 1.00 0.00 H new ATOM 0 HA HIS A 35 24.841 4.035 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 35 23.483 4.411 -9.155 1.00 0.00 H new ATOM 0 HB3 HIS A 35 22.522 5.620 -8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 35 26.440 5.340 -9.019 1.00 0.00 H new ATOM 0 HE1 HIS A 35 25.138 9.317 -9.720 1.00 0.00 H new ATOM 0 HE2 HIS A 35 27.141 7.744 -9.742 1.00 0.00 H new ATOM 485 N VAL A 36 25.322 6.009 -5.721 1.00 0.00 N ATOM 486 CA VAL A 36 25.624 7.039 -4.735 1.00 0.00 C ATOM 487 C VAL A 36 26.687 8.001 -5.254 1.00 0.00 C ATOM 488 O VAL A 36 27.740 7.579 -5.732 1.00 0.00 O ATOM 489 CB VAL A 36 26.109 6.423 -3.409 1.00 0.00 C ATOM 490 CG1 VAL A 36 24.935 5.862 -2.620 1.00 0.00 C ATOM 491 CG2 VAL A 36 27.149 5.344 -3.672 1.00 0.00 C ATOM 0 H VAL A 36 26.142 5.594 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 36 24.698 7.586 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 36 26.575 7.208 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 36 25.297 5.431 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 36 24.229 6.662 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 36 24.438 5.090 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.481 4.920 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 36 26.711 4.559 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.002 5.780 -4.193 1.00 0.00 H new ATOM 501 N ARG A 37 26.405 9.296 -5.155 1.00 0.00 N ATOM 502 CA ARG A 37 27.336 10.319 -5.616 1.00 0.00 C ATOM 503 C ARG A 37 27.917 11.095 -4.437 1.00 0.00 C ATOM 504 O ARG A 37 27.226 11.863 -3.767 1.00 0.00 O ATOM 505 CB ARG A 37 26.637 11.280 -6.579 1.00 0.00 C ATOM 506 CG ARG A 37 27.593 12.195 -7.327 1.00 0.00 C ATOM 507 CD ARG A 37 26.911 13.487 -7.748 1.00 0.00 C ATOM 508 NE ARG A 37 26.222 13.351 -9.028 1.00 0.00 N ATOM 509 CZ ARG A 37 25.399 14.270 -9.521 1.00 0.00 C ATOM 510 NH1 ARG A 37 25.163 15.385 -8.844 1.00 0.00 N ATOM 511 NH2 ARG A 37 24.809 14.073 -10.694 1.00 0.00 N ATOM 0 H ARG A 37 25.539 9.662 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 37 28.152 9.822 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 37 26.061 10.702 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.927 11.889 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 37 28.450 12.424 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 37 27.976 11.681 -8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 37 26.196 13.786 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 37 27.653 14.282 -7.819 1.00 0.00 H new ATOM 0 HE ARG A 37 26.381 12.504 -9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 37 25.614 15.539 -7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 37 24.531 16.089 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.988 13.216 -11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.177 14.779 -11.072 1.00 0.00 H new ATOM 525 N PRO A 38 29.217 10.891 -4.177 1.00 0.00 N ATOM 526 CA PRO A 38 29.919 11.563 -3.079 1.00 0.00 C ATOM 527 C PRO A 38 30.104 13.055 -3.336 1.00 0.00 C ATOM 528 O PRO A 38 30.699 13.454 -4.338 1.00 0.00 O ATOM 529 CB PRO A 38 31.276 10.855 -3.041 1.00 0.00 C ATOM 530 CG PRO A 38 31.473 10.337 -4.424 1.00 0.00 C ATOM 531 CD PRO A 38 30.102 9.990 -4.935 1.00 0.00 C ATOM 0 HA PRO A 38 29.364 11.503 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.073 11.543 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.280 10.046 -2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.948 11.086 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.123 9.462 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.020 10.156 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 38 29.859 8.943 -4.755 1.00 0.00 H new ATOM 539 N LEU A 39 29.591 13.875 -2.425 1.00 0.00 N ATOM 540 CA LEU A 39 29.699 15.324 -2.553 1.00 0.00 C ATOM 541 C LEU A 39 30.536 15.909 -1.420 1.00 0.00 C ATOM 542 O LEU A 39 30.624 15.331 -0.336 1.00 0.00 O ATOM 543 CB LEU A 39 28.309 15.961 -2.557 1.00 0.00 C ATOM 544 CG LEU A 39 27.633 16.088 -3.922 1.00 0.00 C ATOM 545 CD1 LEU A 39 26.838 14.832 -4.244 1.00 0.00 C ATOM 546 CD2 LEU A 39 26.732 17.314 -3.960 1.00 0.00 C ATOM 0 H LEU A 39 29.096 13.561 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 39 30.195 15.545 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 39 27.661 15.375 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 28.386 16.956 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 39 28.408 16.207 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 26.364 14.941 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 39 27.507 13.972 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 26.072 14.681 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 39 26.259 17.388 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 39 25.964 17.225 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 39 27.327 18.209 -3.776 1.00 0.00 H new ATOM 558 N VAL A 40 31.148 17.061 -1.676 1.00 0.00 N ATOM 559 CA VAL A 40 31.975 17.726 -0.677 1.00 0.00 C ATOM 560 C VAL A 40 31.438 17.485 0.729 1.00 0.00 C ATOM 561 O VAL A 40 31.998 16.699 1.494 1.00 0.00 O ATOM 562 CB VAL A 40 32.052 19.243 -0.932 1.00 0.00 C ATOM 563 CG1 VAL A 40 32.912 19.920 0.124 1.00 0.00 C ATOM 564 CG2 VAL A 40 32.590 19.522 -2.328 1.00 0.00 C ATOM 0 H VAL A 40 31.086 17.553 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 40 32.975 17.300 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 40 31.045 19.656 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 32.954 20.991 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.479 19.749 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 40 33.920 19.505 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 40 32.638 20.599 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.588 19.096 -2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.930 19.072 -3.069 1.00 0.00 H new ATOM 574 N THR A 41 30.348 18.168 1.066 1.00 0.00 N ATOM 575 CA THR A 41 29.735 18.029 2.381 1.00 0.00 C ATOM 576 C THR A 41 28.362 17.373 2.281 1.00 0.00 C ATOM 577 O THR A 41 27.507 17.567 3.145 1.00 0.00 O ATOM 578 CB THR A 41 29.590 19.394 3.080 1.00 0.00 C ATOM 579 OG1 THR A 41 28.922 20.319 2.215 1.00 0.00 O ATOM 580 CG2 THR A 41 30.952 19.949 3.471 1.00 0.00 C ATOM 0 H THR A 41 29.872 18.823 0.446 1.00 0.00 H new ATOM 0 HA THR A 41 30.395 17.395 2.972 1.00 0.00 H new ATOM 0 HB THR A 41 28.999 19.253 3.985 1.00 0.00 H new ATOM 0 HG1 THR A 41 28.832 21.184 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 30.824 20.913 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 41 31.445 19.256 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 41 31.563 20.076 2.578 1.00 0.00 H new ATOM 588 N SER A 42 28.158 16.597 1.222 1.00 0.00 N ATOM 589 CA SER A 42 26.887 15.915 1.008 1.00 0.00 C ATOM 590 C SER A 42 27.091 14.618 0.231 1.00 0.00 C ATOM 591 O SER A 42 28.218 14.253 -0.104 1.00 0.00 O ATOM 592 CB SER A 42 25.915 16.826 0.256 1.00 0.00 C ATOM 593 OG SER A 42 26.539 17.416 -0.872 1.00 0.00 O ATOM 0 H SER A 42 28.856 16.425 0.499 1.00 0.00 H new ATOM 0 HA SER A 42 26.465 15.672 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 42 25.046 16.251 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.552 17.607 0.925 1.00 0.00 H new ATOM 0 HG SER A 42 26.035 18.210 -1.146 1.00 0.00 H new ATOM 599 N ILE A 43 25.992 13.926 -0.052 1.00 0.00 N ATOM 600 CA ILE A 43 26.049 12.671 -0.790 1.00 0.00 C ATOM 601 C ILE A 43 24.691 12.325 -1.393 1.00 0.00 C ATOM 602 O ILE A 43 23.767 11.930 -0.682 1.00 0.00 O ATOM 603 CB ILE A 43 26.509 11.509 0.111 1.00 0.00 C ATOM 604 CG1 ILE A 43 27.899 11.796 0.680 1.00 0.00 C ATOM 605 CG2 ILE A 43 26.509 10.202 -0.669 1.00 0.00 C ATOM 606 CD1 ILE A 43 28.506 10.620 1.414 1.00 0.00 C ATOM 0 H ILE A 43 25.052 14.214 0.219 1.00 0.00 H new ATOM 0 HA ILE A 43 26.775 12.809 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 43 25.810 11.414 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 43 28.563 12.088 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 43 27.836 12.645 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 43 26.836 9.390 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 43 25.502 9.994 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 43 27.189 10.284 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 43 29.491 10.895 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 43 27.863 10.341 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 28.601 9.775 0.732 1.00 0.00 H new ATOM 618 N VAL A 44 24.579 12.475 -2.709 1.00 0.00 N ATOM 619 CA VAL A 44 23.335 12.176 -3.409 1.00 0.00 C ATOM 620 C VAL A 44 23.140 10.672 -3.564 1.00 0.00 C ATOM 621 O VAL A 44 23.728 10.047 -4.447 1.00 0.00 O ATOM 622 CB VAL A 44 23.304 12.833 -4.801 1.00 0.00 C ATOM 623 CG1 VAL A 44 22.043 12.433 -5.552 1.00 0.00 C ATOM 624 CG2 VAL A 44 23.403 14.346 -4.679 1.00 0.00 C ATOM 0 H VAL A 44 25.334 12.802 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 44 22.525 12.584 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 44 24.165 12.480 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 44 22.038 12.907 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 44 22.019 11.350 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 44 21.167 12.755 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 44 23.380 14.793 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 44 22.563 14.719 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 24.337 14.611 -4.184 1.00 0.00 H new ATOM 634 N VAL A 45 22.309 10.097 -2.700 1.00 0.00 N ATOM 635 CA VAL A 45 22.034 8.666 -2.742 1.00 0.00 C ATOM 636 C VAL A 45 20.812 8.366 -3.603 1.00 0.00 C ATOM 637 O VAL A 45 19.674 8.520 -3.159 1.00 0.00 O ATOM 638 CB VAL A 45 21.805 8.097 -1.329 1.00 0.00 C ATOM 639 CG1 VAL A 45 21.611 6.589 -1.385 1.00 0.00 C ATOM 640 CG2 VAL A 45 22.965 8.460 -0.415 1.00 0.00 C ATOM 0 H VAL A 45 21.815 10.600 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 45 22.910 8.188 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 45 20.897 8.541 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.451 6.205 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.745 6.356 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.499 6.124 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.787 8.050 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 23.889 8.046 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 23.052 9.545 -0.350 1.00 0.00 H new ATOM 650 N SER A 46 21.056 7.936 -4.837 1.00 0.00 N ATOM 651 CA SER A 46 19.975 7.617 -5.763 1.00 0.00 C ATOM 652 C SER A 46 19.836 6.108 -5.935 1.00 0.00 C ATOM 653 O SER A 46 20.793 5.422 -6.295 1.00 0.00 O ATOM 654 CB SER A 46 20.227 8.276 -7.120 1.00 0.00 C ATOM 655 OG SER A 46 19.665 7.510 -8.171 1.00 0.00 O ATOM 0 H SER A 46 21.992 7.801 -5.219 1.00 0.00 H new ATOM 0 HA SER A 46 19.045 8.005 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 46 19.798 9.278 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 46 21.299 8.387 -7.280 1.00 0.00 H new ATOM 0 HG SER A 46 19.838 7.953 -9.028 1.00 0.00 H new ATOM 661 N TRP A 47 18.637 5.598 -5.677 1.00 0.00 N ATOM 662 CA TRP A 47 18.371 4.169 -5.803 1.00 0.00 C ATOM 663 C TRP A 47 17.260 3.910 -6.815 1.00 0.00 C ATOM 664 O TRP A 47 16.732 4.840 -7.425 1.00 0.00 O ATOM 665 CB TRP A 47 17.988 3.579 -4.445 1.00 0.00 C ATOM 666 CG TRP A 47 16.735 4.169 -3.873 1.00 0.00 C ATOM 667 CD1 TRP A 47 15.464 3.689 -4.015 1.00 0.00 C ATOM 668 CD2 TRP A 47 16.632 5.349 -3.070 1.00 0.00 C ATOM 669 NE1 TRP A 47 14.578 4.501 -3.349 1.00 0.00 N ATOM 670 CE2 TRP A 47 15.270 5.526 -2.759 1.00 0.00 C ATOM 671 CE3 TRP A 47 17.559 6.273 -2.580 1.00 0.00 C ATOM 672 CZ2 TRP A 47 14.815 6.589 -1.984 1.00 0.00 C ATOM 673 CZ3 TRP A 47 17.106 7.328 -1.811 1.00 0.00 C ATOM 674 CH2 TRP A 47 15.744 7.478 -1.518 1.00 0.00 C ATOM 0 H TRP A 47 17.834 6.152 -5.379 1.00 0.00 H new ATOM 0 HA TRP A 47 19.281 3.685 -6.158 1.00 0.00 H new ATOM 0 HB2 TRP A 47 17.859 2.502 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 47 18.808 3.736 -3.744 1.00 0.00 H new ATOM 0 HD1 TRP A 47 15.195 2.802 -4.569 1.00 0.00 H new ATOM 0 HE1 TRP A 47 13.568 4.363 -3.301 1.00 0.00 H new ATOM 0 HE3 TRP A 47 18.611 6.164 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 13.765 6.708 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 17.814 8.049 -1.429 1.00 0.00 H new ATOM 0 HH2 TRP A 47 15.421 8.312 -0.912 1.00 0.00 H new ATOM 685 N THR A 48 16.910 2.639 -6.991 1.00 0.00 N ATOM 686 CA THR A 48 15.863 2.258 -7.930 1.00 0.00 C ATOM 687 C THR A 48 15.047 1.085 -7.398 1.00 0.00 C ATOM 688 O THR A 48 15.525 0.276 -6.603 1.00 0.00 O ATOM 689 CB THR A 48 16.450 1.880 -9.303 1.00 0.00 C ATOM 690 OG1 THR A 48 17.726 1.251 -9.134 1.00 0.00 O ATOM 691 CG2 THR A 48 16.599 3.110 -10.186 1.00 0.00 C ATOM 0 H THR A 48 17.337 1.857 -6.495 1.00 0.00 H new ATOM 0 HA THR A 48 15.213 3.125 -8.047 1.00 0.00 H new ATOM 0 HB THR A 48 15.764 1.186 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 48 17.696 0.346 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.015 2.818 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.622 3.570 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.266 3.825 -9.704 1.00 0.00 H new ATOM 699 N PRO A 49 13.787 0.988 -7.846 1.00 0.00 N ATOM 700 CA PRO A 49 12.879 -0.084 -7.428 1.00 0.00 C ATOM 701 C PRO A 49 13.287 -1.441 -7.991 1.00 0.00 C ATOM 702 O PRO A 49 13.997 -1.537 -8.992 1.00 0.00 O ATOM 703 CB PRO A 49 11.529 0.350 -8.005 1.00 0.00 C ATOM 704 CG PRO A 49 11.874 1.217 -9.166 1.00 0.00 C ATOM 705 CD PRO A 49 13.151 1.918 -8.795 1.00 0.00 C ATOM 0 HA PRO A 49 12.873 -0.215 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.936 -0.510 -8.316 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.939 0.893 -7.267 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.003 0.624 -10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.079 1.935 -9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.780 2.095 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.959 2.889 -8.338 1.00 0.00 H new ATOM 713 N PRO A 50 12.828 -2.517 -7.335 1.00 0.00 N ATOM 714 CA PRO A 50 13.132 -3.889 -7.753 1.00 0.00 C ATOM 715 C PRO A 50 12.436 -4.265 -9.057 1.00 0.00 C ATOM 716 O PRO A 50 11.307 -3.847 -9.310 1.00 0.00 O ATOM 717 CB PRO A 50 12.598 -4.739 -6.597 1.00 0.00 C ATOM 718 CG PRO A 50 11.532 -3.905 -5.975 1.00 0.00 C ATOM 719 CD PRO A 50 11.976 -2.477 -6.134 1.00 0.00 C ATOM 0 HA PRO A 50 14.195 -4.030 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.200 -5.688 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.386 -4.973 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.572 -4.072 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.403 -4.158 -4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.128 -1.805 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.528 -2.128 -5.261 1.00 0.00 H new ATOM 727 N GLU A 51 13.117 -5.057 -9.879 1.00 0.00 N ATOM 728 CA GLU A 51 12.562 -5.489 -11.156 1.00 0.00 C ATOM 729 C GLU A 51 11.088 -5.857 -11.013 1.00 0.00 C ATOM 730 O GLU A 51 10.272 -5.540 -11.877 1.00 0.00 O ATOM 731 CB GLU A 51 13.347 -6.685 -11.700 1.00 0.00 C ATOM 732 CG GLU A 51 14.578 -6.292 -12.500 1.00 0.00 C ATOM 733 CD GLU A 51 15.196 -7.466 -13.234 1.00 0.00 C ATOM 734 OE1 GLU A 51 15.469 -8.496 -12.584 1.00 0.00 O ATOM 735 OE2 GLU A 51 15.406 -7.354 -14.460 1.00 0.00 O ATOM 0 H GLU A 51 14.053 -5.412 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 51 12.645 -4.659 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.652 -7.318 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.690 -7.284 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.307 -5.520 -13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.319 -5.857 -11.829 1.00 0.00 H new ATOM 742 N ASN A 52 10.756 -6.529 -9.916 1.00 0.00 N ATOM 743 CA ASN A 52 9.381 -6.942 -9.659 1.00 0.00 C ATOM 744 C ASN A 52 8.530 -5.755 -9.218 1.00 0.00 C ATOM 745 O ASN A 52 8.569 -5.349 -8.057 1.00 0.00 O ATOM 746 CB ASN A 52 9.346 -8.035 -8.588 1.00 0.00 C ATOM 747 CG ASN A 52 8.127 -8.928 -8.714 1.00 0.00 C ATOM 748 OD1 ASN A 52 7.077 -8.501 -9.193 1.00 0.00 O ATOM 749 ND2 ASN A 52 8.262 -10.177 -8.281 1.00 0.00 N ATOM 0 H ASN A 52 11.420 -6.799 -9.191 1.00 0.00 H new ATOM 0 HA ASN A 52 8.968 -7.338 -10.587 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.248 -8.643 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.354 -7.573 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.476 -10.825 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.152 -10.488 -7.891 1.00 0.00 H new ATOM 756 N GLN A 53 7.763 -5.205 -10.153 1.00 0.00 N ATOM 757 CA GLN A 53 6.902 -4.064 -9.860 1.00 0.00 C ATOM 758 C GLN A 53 5.536 -4.526 -9.365 1.00 0.00 C ATOM 759 O GLN A 53 4.543 -3.813 -9.498 1.00 0.00 O ATOM 760 CB GLN A 53 6.738 -3.190 -11.105 1.00 0.00 C ATOM 761 CG GLN A 53 7.822 -2.136 -11.255 1.00 0.00 C ATOM 762 CD GLN A 53 7.702 -1.024 -10.231 1.00 0.00 C ATOM 763 OE1 GLN A 53 8.266 -1.245 -9.049 1.00 0.00 O flip ATOM 764 NE2 GLN A 53 7.108 0.021 -10.498 1.00 0.00 N flip ATOM 0 H GLN A 53 7.720 -5.530 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 53 7.374 -3.477 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.738 -3.828 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.766 -2.697 -11.067 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.799 -2.609 -11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.772 -1.709 -12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.689 0.149 -11.419 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.035 0.759 -9.798 1.00 0.00 H new ATOM 773 N ASN A 54 5.494 -5.725 -8.792 1.00 0.00 N ATOM 774 CA ASN A 54 4.249 -6.283 -8.277 1.00 0.00 C ATOM 775 C ASN A 54 4.266 -6.335 -6.752 1.00 0.00 C ATOM 776 O ASN A 54 3.215 -6.379 -6.111 1.00 0.00 O ATOM 777 CB ASN A 54 4.021 -7.686 -8.844 1.00 0.00 C ATOM 778 CG ASN A 54 4.107 -7.718 -10.357 1.00 0.00 C ATOM 779 OD1 ASN A 54 4.856 -8.509 -10.931 1.00 0.00 O ATOM 780 ND2 ASN A 54 3.337 -6.857 -11.012 1.00 0.00 N ATOM 0 H ASN A 54 6.308 -6.328 -8.673 1.00 0.00 H new ATOM 0 HA ASN A 54 3.432 -5.634 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.761 -8.369 -8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.041 -8.047 -8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.351 -6.833 -12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.731 -6.219 -10.496 1.00 0.00 H new ATOM 787 N ILE A 55 5.464 -6.328 -6.179 1.00 0.00 N ATOM 788 CA ILE A 55 5.618 -6.373 -4.730 1.00 0.00 C ATOM 789 C ILE A 55 5.317 -5.016 -4.103 1.00 0.00 C ATOM 790 O ILE A 55 5.899 -4.001 -4.486 1.00 0.00 O ATOM 791 CB ILE A 55 7.039 -6.808 -4.327 1.00 0.00 C ATOM 792 CG1 ILE A 55 7.367 -8.175 -4.931 1.00 0.00 C ATOM 793 CG2 ILE A 55 7.172 -6.847 -2.812 1.00 0.00 C ATOM 794 CD1 ILE A 55 8.824 -8.560 -4.799 1.00 0.00 C ATOM 0 H ILE A 55 6.343 -6.292 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 55 4.904 -7.109 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 55 7.750 -6.079 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.754 -8.934 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.095 -8.172 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.182 -7.156 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.975 -5.856 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.454 -7.557 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.984 -9.540 -5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.443 -7.822 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.097 -8.596 -3.744 1.00 0.00 H new ATOM 806 N VAL A 56 4.405 -5.006 -3.136 1.00 0.00 N ATOM 807 CA VAL A 56 4.029 -3.773 -2.453 1.00 0.00 C ATOM 808 C VAL A 56 5.192 -3.219 -1.638 1.00 0.00 C ATOM 809 O VAL A 56 5.613 -3.819 -0.649 1.00 0.00 O ATOM 810 CB VAL A 56 2.823 -3.994 -1.521 1.00 0.00 C ATOM 811 CG1 VAL A 56 2.493 -2.717 -0.763 1.00 0.00 C ATOM 812 CG2 VAL A 56 1.619 -4.480 -2.314 1.00 0.00 C ATOM 0 H VAL A 56 3.913 -5.837 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 56 3.756 -3.054 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 56 3.084 -4.763 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.638 -2.892 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.353 -2.417 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.251 -1.925 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.776 -4.631 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.354 -3.736 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.863 -5.422 -2.806 1.00 0.00 H new ATOM 822 N VAL A 57 5.709 -2.070 -2.061 1.00 0.00 N ATOM 823 CA VAL A 57 6.824 -1.433 -1.369 1.00 0.00 C ATOM 824 C VAL A 57 6.389 -0.128 -0.712 1.00 0.00 C ATOM 825 O VAL A 57 5.967 0.810 -1.389 1.00 0.00 O ATOM 826 CB VAL A 57 7.991 -1.146 -2.332 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.011 -0.227 -1.676 1.00 0.00 C ATOM 828 CG2 VAL A 57 8.642 -2.445 -2.781 1.00 0.00 C ATOM 0 H VAL A 57 5.374 -1.561 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 57 7.160 -2.129 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 57 7.597 -0.640 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.828 -0.035 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.533 0.716 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.403 -0.702 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.465 -2.224 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.024 -2.980 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.905 -3.064 -3.293 1.00 0.00 H new ATOM 838 N ARG A 58 6.496 -0.074 0.612 1.00 0.00 N ATOM 839 CA ARG A 58 6.113 1.116 1.362 1.00 0.00 C ATOM 840 C ARG A 58 7.246 2.137 1.377 1.00 0.00 C ATOM 841 O ARG A 58 7.016 3.334 1.543 1.00 0.00 O ATOM 842 CB ARG A 58 5.731 0.741 2.795 1.00 0.00 C ATOM 843 CG ARG A 58 4.299 0.250 2.935 1.00 0.00 C ATOM 844 CD ARG A 58 3.310 1.405 2.925 1.00 0.00 C ATOM 845 NE ARG A 58 1.972 0.983 3.332 1.00 0.00 N ATOM 846 CZ ARG A 58 1.052 1.815 3.806 1.00 0.00 C ATOM 847 NH1 ARG A 58 1.323 3.107 3.932 1.00 0.00 N ATOM 848 NH2 ARG A 58 -0.143 1.356 4.154 1.00 0.00 N ATOM 0 H ARG A 58 6.845 -0.841 1.187 1.00 0.00 H new ATOM 0 HA ARG A 58 5.250 1.564 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.409 -0.035 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.873 1.609 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.067 -0.436 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.195 -0.311 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.662 2.190 3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.266 1.836 1.925 1.00 0.00 H new ATOM 0 HE ARG A 58 1.731 -0.005 3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.240 3.464 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.614 3.744 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.356 0.363 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.849 1.996 4.518 1.00 0.00 H new ATOM 862 N GLY A 59 8.473 1.655 1.202 1.00 0.00 N ATOM 863 CA GLY A 59 9.624 2.538 1.200 1.00 0.00 C ATOM 864 C GLY A 59 10.933 1.786 1.345 1.00 0.00 C ATOM 865 O GLY A 59 10.960 0.557 1.285 1.00 0.00 O ATOM 0 H GLY A 59 8.690 0.668 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.638 3.109 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.529 3.256 2.015 1.00 0.00 H new ATOM 869 N TYR A 60 12.020 2.526 1.536 1.00 0.00 N ATOM 870 CA TYR A 60 13.338 1.921 1.686 1.00 0.00 C ATOM 871 C TYR A 60 14.072 2.507 2.889 1.00 0.00 C ATOM 872 O TYR A 60 13.765 3.609 3.341 1.00 0.00 O ATOM 873 CB TYR A 60 14.166 2.132 0.418 1.00 0.00 C ATOM 874 CG TYR A 60 13.364 2.003 -0.858 1.00 0.00 C ATOM 875 CD1 TYR A 60 12.640 3.079 -1.358 1.00 0.00 C ATOM 876 CD2 TYR A 60 13.330 0.806 -1.562 1.00 0.00 C ATOM 877 CE1 TYR A 60 11.905 2.965 -2.522 1.00 0.00 C ATOM 878 CE2 TYR A 60 12.599 0.684 -2.728 1.00 0.00 C ATOM 879 CZ TYR A 60 11.888 1.766 -3.204 1.00 0.00 C ATOM 880 OH TYR A 60 11.158 1.650 -4.364 1.00 0.00 O ATOM 0 H TYR A 60 12.014 3.545 1.591 1.00 0.00 H new ATOM 0 HA TYR A 60 13.203 0.852 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.622 3.122 0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.980 1.407 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.652 4.020 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.884 -0.044 -1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.347 3.810 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.584 -0.254 -3.264 1.00 0.00 H new ATOM 0 HH TYR A 60 11.253 0.742 -4.721 1.00 0.00 H new ATOM 890 N ALA A 61 15.044 1.760 3.401 1.00 0.00 N ATOM 891 CA ALA A 61 15.825 2.204 4.549 1.00 0.00 C ATOM 892 C ALA A 61 17.300 2.341 4.190 1.00 0.00 C ATOM 893 O ALA A 61 18.000 1.344 4.012 1.00 0.00 O ATOM 894 CB ALA A 61 15.650 1.239 5.712 1.00 0.00 C ATOM 0 H ALA A 61 15.310 0.844 3.039 1.00 0.00 H new ATOM 0 HA ALA A 61 15.458 3.186 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.239 1.583 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.598 1.195 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.988 0.246 5.415 1.00 0.00 H new ATOM 900 N ILE A 62 17.766 3.581 4.085 1.00 0.00 N ATOM 901 CA ILE A 62 19.159 3.847 3.747 1.00 0.00 C ATOM 902 C ILE A 62 20.024 3.922 5.001 1.00 0.00 C ATOM 903 O ILE A 62 19.532 4.210 6.091 1.00 0.00 O ATOM 904 CB ILE A 62 19.306 5.160 2.956 1.00 0.00 C ATOM 905 CG1 ILE A 62 18.349 5.172 1.763 1.00 0.00 C ATOM 906 CG2 ILE A 62 20.743 5.341 2.491 1.00 0.00 C ATOM 907 CD1 ILE A 62 17.923 6.561 1.344 1.00 0.00 C ATOM 0 H ILE A 62 17.200 4.417 4.229 1.00 0.00 H new ATOM 0 HA ILE A 62 19.496 3.018 3.125 1.00 0.00 H new ATOM 0 HB ILE A 62 19.050 5.992 3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 62 18.828 4.677 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 62 17.463 4.589 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 62 20.830 6.274 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 62 21.404 5.373 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 62 21.025 4.507 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.245 6.493 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.415 7.052 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 62 18.801 7.142 1.062 1.00 0.00 H new ATOM 919 N GLY A 63 21.318 3.663 4.838 1.00 0.00 N ATOM 920 CA GLY A 63 22.232 3.709 5.964 1.00 0.00 C ATOM 921 C GLY A 63 23.610 4.202 5.573 1.00 0.00 C ATOM 922 O GLY A 63 24.127 3.848 4.513 1.00 0.00 O ATOM 0 H GLY A 63 21.750 3.422 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.821 4.361 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.316 2.714 6.400 1.00 0.00 H new ATOM 926 N TYR A 64 24.207 5.024 6.429 1.00 0.00 N ATOM 927 CA TYR A 64 25.533 5.571 6.165 1.00 0.00 C ATOM 928 C TYR A 64 26.378 5.587 7.435 1.00 0.00 C ATOM 929 O TYR A 64 25.851 5.624 8.545 1.00 0.00 O ATOM 930 CB TYR A 64 25.420 6.987 5.597 1.00 0.00 C ATOM 931 CG TYR A 64 24.755 7.966 6.538 1.00 0.00 C ATOM 932 CD1 TYR A 64 23.374 8.123 6.546 1.00 0.00 C ATOM 933 CD2 TYR A 64 25.506 8.734 7.418 1.00 0.00 C ATOM 934 CE1 TYR A 64 22.762 9.016 7.404 1.00 0.00 C ATOM 935 CE2 TYR A 64 24.903 9.629 8.280 1.00 0.00 C ATOM 936 CZ TYR A 64 23.530 9.766 8.269 1.00 0.00 C ATOM 937 OH TYR A 64 22.925 10.658 9.125 1.00 0.00 O ATOM 0 H TYR A 64 23.794 5.326 7.311 1.00 0.00 H new ATOM 0 HA TYR A 64 26.023 4.930 5.432 1.00 0.00 H new ATOM 0 HB2 TYR A 64 26.418 7.352 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.856 6.952 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.769 7.537 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.581 8.630 7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.688 9.126 7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.502 10.218 8.958 1.00 0.00 H new ATOM 0 HH TYR A 64 23.608 11.105 9.668 1.00 0.00 H new ATOM 947 N GLY A 65 27.696 5.558 7.261 1.00 0.00 N ATOM 948 CA GLY A 65 28.595 5.570 8.400 1.00 0.00 C ATOM 949 C GLY A 65 30.009 5.171 8.027 1.00 0.00 C ATOM 950 O GLY A 65 30.232 4.547 6.990 1.00 0.00 O ATOM 0 H GLY A 65 28.157 5.526 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 65 28.606 6.567 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.218 4.889 9.164 1.00 0.00 H new ATOM 954 N ILE A 66 30.967 5.533 8.874 1.00 0.00 N ATOM 955 CA ILE A 66 32.367 5.209 8.627 1.00 0.00 C ATOM 956 C ILE A 66 32.683 3.778 9.049 1.00 0.00 C ATOM 957 O ILE A 66 32.842 3.491 10.235 1.00 0.00 O ATOM 958 CB ILE A 66 33.308 6.173 9.374 1.00 0.00 C ATOM 959 CG1 ILE A 66 32.949 7.624 9.050 1.00 0.00 C ATOM 960 CG2 ILE A 66 34.757 5.886 9.010 1.00 0.00 C ATOM 961 CD1 ILE A 66 33.009 7.947 7.574 1.00 0.00 C ATOM 0 H ILE A 66 30.799 6.051 9.737 1.00 0.00 H new ATOM 0 HA ILE A 66 32.531 5.313 7.554 1.00 0.00 H new ATOM 0 HB ILE A 66 33.186 6.019 10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 66 31.944 7.832 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 66 33.629 8.286 9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 66 35.410 6.575 9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 66 35.006 4.861 9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 66 34.895 6.016 7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 66 32.742 8.993 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 66 34.019 7.771 7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 66 32.309 7.310 7.033 1.00 0.00 H new ATOM 973 N GLY A 67 32.774 2.884 8.069 1.00 0.00 N ATOM 974 CA GLY A 67 33.072 1.494 8.359 1.00 0.00 C ATOM 975 C GLY A 67 31.838 0.615 8.317 1.00 0.00 C ATOM 976 O GLY A 67 31.881 -0.504 7.806 1.00 0.00 O ATOM 0 H GLY A 67 32.647 3.098 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.802 1.124 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 67 33.532 1.422 9.345 1.00 0.00 H new ATOM 980 N SER A 68 30.734 1.121 8.859 1.00 0.00 N ATOM 981 CA SER A 68 29.483 0.372 8.886 1.00 0.00 C ATOM 982 C SER A 68 28.285 1.312 8.796 1.00 0.00 C ATOM 983 O SER A 68 28.245 2.370 9.425 1.00 0.00 O ATOM 984 CB SER A 68 29.394 -0.466 10.162 1.00 0.00 C ATOM 985 OG SER A 68 28.049 -0.791 10.466 1.00 0.00 O ATOM 0 H SER A 68 30.681 2.046 9.285 1.00 0.00 H new ATOM 0 HA SER A 68 29.467 -0.292 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.974 -1.381 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.835 0.084 10.993 1.00 0.00 H new ATOM 0 HG SER A 68 27.680 -0.119 11.077 1.00 0.00 H new ATOM 991 N PRO A 69 27.284 0.919 7.996 1.00 0.00 N ATOM 992 CA PRO A 69 26.065 1.711 7.804 1.00 0.00 C ATOM 993 C PRO A 69 25.188 1.736 9.051 1.00 0.00 C ATOM 994 O PRO A 69 24.285 2.565 9.171 1.00 0.00 O ATOM 995 CB PRO A 69 25.348 0.988 6.661 1.00 0.00 C ATOM 996 CG PRO A 69 25.843 -0.416 6.731 1.00 0.00 C ATOM 997 CD PRO A 69 27.264 -0.330 7.215 1.00 0.00 C ATOM 0 HA PRO A 69 26.288 2.757 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.266 1.033 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 69 25.580 1.442 5.698 1.00 0.00 H new ATOM 0 HG2 PRO A 69 25.234 -1.011 7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 69 25.792 -0.897 5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.533 -1.191 7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 69 27.970 -0.296 6.385 1.00 0.00 H new ATOM 1005 N HIS A 70 25.460 0.823 9.979 1.00 0.00 N ATOM 1006 CA HIS A 70 24.696 0.742 11.219 1.00 0.00 C ATOM 1007 C HIS A 70 24.714 2.077 11.956 1.00 0.00 C ATOM 1008 O HIS A 70 23.863 2.339 12.806 1.00 0.00 O ATOM 1009 CB HIS A 70 25.259 -0.359 12.118 1.00 0.00 C ATOM 1010 CG HIS A 70 26.359 0.110 13.020 1.00 0.00 C ATOM 1011 ND1 HIS A 70 27.418 0.917 12.779 1.00 0.00 N flip ATOM 1012 CD2 HIS A 70 26.452 -0.256 14.347 1.00 0.00 C flip ATOM 1013 CE1 HIS A 70 28.123 1.025 13.953 1.00 0.00 C flip ATOM 1014 NE2 HIS A 70 27.519 0.308 14.883 1.00 0.00 N flip ATOM 0 H HIS A 70 26.203 0.130 9.896 1.00 0.00 H new ATOM 0 HA HIS A 70 23.663 0.501 10.966 1.00 0.00 H new ATOM 0 HB2 HIS A 70 24.452 -0.769 12.725 1.00 0.00 H new ATOM 0 HB3 HIS A 70 25.633 -1.171 11.494 1.00 0.00 H new ATOM 0 HD2 HIS A 70 25.760 -0.903 14.866 1.00 0.00 H new ATOM 0 HE1 HIS A 70 29.025 1.603 14.093 1.00 0.00 H new ATOM 0 HE2 HIS A 70 27.825 0.207 15.851 1.00 0.00 H new ATOM 1023 N ALA A 71 25.689 2.917 11.626 1.00 0.00 N ATOM 1024 CA ALA A 71 25.817 4.225 12.256 1.00 0.00 C ATOM 1025 C ALA A 71 24.480 4.959 12.274 1.00 0.00 C ATOM 1026 O ALA A 71 23.922 5.224 13.338 1.00 0.00 O ATOM 1027 CB ALA A 71 26.868 5.057 11.537 1.00 0.00 C ATOM 0 H ALA A 71 26.402 2.715 10.925 1.00 0.00 H new ATOM 0 HA ALA A 71 26.133 4.074 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.953 6.031 12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 71 27.830 4.546 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.576 5.191 10.495 1.00 0.00 H new ATOM 1033 N GLN A 72 23.973 5.285 11.089 1.00 0.00 N ATOM 1034 CA GLN A 72 22.702 5.989 10.970 1.00 0.00 C ATOM 1035 C GLN A 72 21.810 5.330 9.923 1.00 0.00 C ATOM 1036 O GLN A 72 22.298 4.690 8.990 1.00 0.00 O ATOM 1037 CB GLN A 72 22.940 7.455 10.605 1.00 0.00 C ATOM 1038 CG GLN A 72 23.144 8.357 11.812 1.00 0.00 C ATOM 1039 CD GLN A 72 22.147 8.084 12.920 1.00 0.00 C ATOM 1040 OE1 GLN A 72 20.940 8.251 12.740 1.00 0.00 O ATOM 1041 NE2 GLN A 72 22.646 7.661 14.075 1.00 0.00 N ATOM 0 H GLN A 72 24.423 5.073 10.199 1.00 0.00 H new ATOM 0 HA GLN A 72 22.196 5.939 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.816 7.523 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 72 22.090 7.820 10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 72 24.155 8.220 12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.060 9.398 11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.653 7.536 14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.023 7.461 14.857 1.00 0.00 H new ATOM 1050 N THR A 73 20.500 5.490 10.083 1.00 0.00 N ATOM 1051 CA THR A 73 19.540 4.910 9.153 1.00 0.00 C ATOM 1052 C THR A 73 18.393 5.874 8.874 1.00 0.00 C ATOM 1053 O THR A 73 17.785 6.414 9.798 1.00 0.00 O ATOM 1054 CB THR A 73 18.964 3.587 9.692 1.00 0.00 C ATOM 1055 OG1 THR A 73 20.026 2.668 9.972 1.00 0.00 O ATOM 1056 CG2 THR A 73 18.002 2.968 8.691 1.00 0.00 C ATOM 0 H THR A 73 20.080 6.017 10.849 1.00 0.00 H new ATOM 0 HA THR A 73 20.078 4.712 8.226 1.00 0.00 H new ATOM 0 HB THR A 73 18.418 3.802 10.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.651 1.830 10.316 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.608 2.035 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.179 3.658 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.528 2.767 7.758 1.00 0.00 H new ATOM 1064 N ILE A 74 18.102 6.086 7.595 1.00 0.00 N ATOM 1065 CA ILE A 74 17.026 6.984 7.195 1.00 0.00 C ATOM 1066 C ILE A 74 15.983 6.254 6.357 1.00 0.00 C ATOM 1067 O ILE A 74 16.304 5.648 5.334 1.00 0.00 O ATOM 1068 CB ILE A 74 17.563 8.184 6.393 1.00 0.00 C ATOM 1069 CG1 ILE A 74 18.598 8.954 7.216 1.00 0.00 C ATOM 1070 CG2 ILE A 74 16.420 9.100 5.980 1.00 0.00 C ATOM 1071 CD1 ILE A 74 19.321 10.024 6.429 1.00 0.00 C ATOM 0 H ILE A 74 18.597 5.648 6.818 1.00 0.00 H new ATOM 0 HA ILE A 74 16.562 7.348 8.112 1.00 0.00 H new ATOM 0 HB ILE A 74 18.048 7.811 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.101 9.415 8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.329 8.251 7.615 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.816 9.943 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.715 8.546 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.909 9.468 6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.039 10.529 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.846 9.567 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.599 10.749 6.053 1.00 0.00 H new ATOM 1083 N LYS A 75 14.730 6.315 6.797 1.00 0.00 N ATOM 1084 CA LYS A 75 13.637 5.662 6.087 1.00 0.00 C ATOM 1085 C LYS A 75 12.687 6.693 5.484 1.00 0.00 C ATOM 1086 O LYS A 75 12.229 7.606 6.171 1.00 0.00 O ATOM 1087 CB LYS A 75 12.868 4.737 7.033 1.00 0.00 C ATOM 1088 CG LYS A 75 13.698 3.579 7.559 1.00 0.00 C ATOM 1089 CD LYS A 75 12.835 2.365 7.861 1.00 0.00 C ATOM 1090 CE LYS A 75 13.474 1.475 8.915 1.00 0.00 C ATOM 1091 NZ LYS A 75 13.127 1.913 10.295 1.00 0.00 N ATOM 0 H LYS A 75 14.447 6.810 7.642 1.00 0.00 H new ATOM 0 HA LYS A 75 14.065 5.070 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.498 5.320 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.996 4.341 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.458 3.312 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.222 3.888 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.854 2.692 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.678 1.793 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.147 0.446 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.557 1.486 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.582 1.281 10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.461 2.886 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.095 1.878 10.421 1.00 0.00 H new ATOM 1105 N VAL A 76 12.394 6.539 4.197 1.00 0.00 N ATOM 1106 CA VAL A 76 11.497 7.455 3.502 1.00 0.00 C ATOM 1107 C VAL A 76 10.464 6.693 2.680 1.00 0.00 C ATOM 1108 O VAL A 76 10.534 5.471 2.553 1.00 0.00 O ATOM 1109 CB VAL A 76 12.275 8.407 2.575 1.00 0.00 C ATOM 1110 CG1 VAL A 76 13.149 9.349 3.389 1.00 0.00 C ATOM 1111 CG2 VAL A 76 13.111 7.617 1.580 1.00 0.00 C ATOM 0 H VAL A 76 12.765 5.788 3.614 1.00 0.00 H new ATOM 0 HA VAL A 76 10.988 8.041 4.267 1.00 0.00 H new ATOM 0 HB VAL A 76 11.558 9.008 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.691 10.014 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.523 9.940 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.860 8.769 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.654 8.306 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.821 6.989 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.458 6.989 0.974 1.00 0.00 H new ATOM 1121 N ASP A 77 9.505 7.424 2.122 1.00 0.00 N ATOM 1122 CA ASP A 77 8.456 6.818 1.309 1.00 0.00 C ATOM 1123 C ASP A 77 9.039 6.206 0.039 1.00 0.00 C ATOM 1124 O ASP A 77 10.236 6.324 -0.226 1.00 0.00 O ATOM 1125 CB ASP A 77 7.396 7.859 0.948 1.00 0.00 C ATOM 1126 CG ASP A 77 8.002 9.144 0.418 1.00 0.00 C ATOM 1127 OD1 ASP A 77 8.562 9.120 -0.698 1.00 0.00 O ATOM 1128 OD2 ASP A 77 7.916 10.174 1.119 1.00 0.00 O ATOM 0 H ASP A 77 9.432 8.437 2.218 1.00 0.00 H new ATOM 0 HA ASP A 77 7.990 6.024 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.723 7.443 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.794 8.081 1.829 1.00 0.00 H new ATOM 1133 N TYR A 78 8.186 5.551 -0.740 1.00 0.00 N ATOM 1134 CA TYR A 78 8.617 4.916 -1.980 1.00 0.00 C ATOM 1135 C TYR A 78 8.803 5.951 -3.086 1.00 0.00 C ATOM 1136 O TYR A 78 9.746 5.873 -3.874 1.00 0.00 O ATOM 1137 CB TYR A 78 7.599 3.862 -2.419 1.00 0.00 C ATOM 1138 CG TYR A 78 6.193 4.401 -2.560 1.00 0.00 C ATOM 1139 CD1 TYR A 78 5.783 5.028 -3.730 1.00 0.00 C ATOM 1140 CD2 TYR A 78 5.276 4.283 -1.524 1.00 0.00 C ATOM 1141 CE1 TYR A 78 4.499 5.522 -3.864 1.00 0.00 C ATOM 1142 CE2 TYR A 78 3.990 4.773 -1.649 1.00 0.00 C ATOM 1143 CZ TYR A 78 3.607 5.391 -2.820 1.00 0.00 C ATOM 1144 OH TYR A 78 2.327 5.882 -2.948 1.00 0.00 O ATOM 0 H TYR A 78 7.192 5.446 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 78 9.576 4.431 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.915 3.439 -3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.596 3.048 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.479 5.131 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.573 3.800 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.196 6.007 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.289 4.672 -0.834 1.00 0.00 H new ATOM 0 HH TYR A 78 1.826 5.708 -2.124 1.00 0.00 H new ATOM 1154 N LYS A 79 7.897 6.921 -3.137 1.00 0.00 N ATOM 1155 CA LYS A 79 7.960 7.975 -4.143 1.00 0.00 C ATOM 1156 C LYS A 79 9.383 8.503 -4.291 1.00 0.00 C ATOM 1157 O LYS A 79 9.824 8.824 -5.394 1.00 0.00 O ATOM 1158 CB LYS A 79 7.015 9.120 -3.772 1.00 0.00 C ATOM 1159 CG LYS A 79 5.545 8.747 -3.851 1.00 0.00 C ATOM 1160 CD LYS A 79 4.692 9.652 -2.979 1.00 0.00 C ATOM 1161 CE LYS A 79 3.339 9.025 -2.680 1.00 0.00 C ATOM 1162 NZ LYS A 79 2.397 10.003 -2.070 1.00 0.00 N ATOM 0 H LYS A 79 7.110 6.999 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 79 7.649 7.550 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.242 9.454 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.203 9.964 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.207 8.813 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.414 7.711 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.214 9.856 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.548 10.610 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.909 8.633 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.472 8.179 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.487 9.537 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.795 10.359 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.250 10.798 -2.724 1.00 0.00 H new ATOM 1176 N GLN A 80 10.096 8.589 -3.172 1.00 0.00 N ATOM 1177 CA GLN A 80 11.470 9.077 -3.178 1.00 0.00 C ATOM 1178 C GLN A 80 12.394 8.094 -3.890 1.00 0.00 C ATOM 1179 O GLN A 80 12.451 6.915 -3.538 1.00 0.00 O ATOM 1180 CB GLN A 80 11.958 9.309 -1.747 1.00 0.00 C ATOM 1181 CG GLN A 80 11.388 10.565 -1.107 1.00 0.00 C ATOM 1182 CD GLN A 80 11.339 11.738 -2.065 1.00 0.00 C ATOM 1183 OE1 GLN A 80 12.344 12.414 -2.289 1.00 0.00 O ATOM 1184 NE2 GLN A 80 10.167 11.987 -2.639 1.00 0.00 N ATOM 0 H GLN A 80 9.745 8.327 -2.251 1.00 0.00 H new ATOM 0 HA GLN A 80 11.490 10.023 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.691 8.447 -1.136 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.046 9.374 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.382 10.357 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.993 10.833 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.360 11.402 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.075 12.764 -3.294 1.00 0.00 H new ATOM 1193 N ARG A 81 13.115 8.586 -4.891 1.00 0.00 N ATOM 1194 CA ARG A 81 14.036 7.751 -5.653 1.00 0.00 C ATOM 1195 C ARG A 81 15.482 8.039 -5.263 1.00 0.00 C ATOM 1196 O ARG A 81 16.395 7.299 -5.631 1.00 0.00 O ATOM 1197 CB ARG A 81 13.845 7.981 -7.153 1.00 0.00 C ATOM 1198 CG ARG A 81 14.563 9.215 -7.676 1.00 0.00 C ATOM 1199 CD ARG A 81 15.040 9.017 -9.106 1.00 0.00 C ATOM 1200 NE ARG A 81 14.048 9.464 -10.080 1.00 0.00 N ATOM 1201 CZ ARG A 81 13.816 10.742 -10.359 1.00 0.00 C ATOM 1202 NH1 ARG A 81 14.501 11.694 -9.741 1.00 0.00 N ATOM 1203 NH2 ARG A 81 12.897 11.069 -11.259 1.00 0.00 N ATOM 0 H ARG A 81 13.080 9.559 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 81 13.817 6.709 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.203 7.106 -7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.780 8.073 -7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.893 10.074 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.415 9.441 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.970 9.566 -9.257 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.261 7.963 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 81 13.503 8.756 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.208 11.446 -9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.321 12.674 -9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.369 10.339 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.719 12.050 -11.473 1.00 0.00 H new ATOM 1217 N TYR A 82 15.684 9.120 -4.517 1.00 0.00 N ATOM 1218 CA TYR A 82 17.019 9.508 -4.079 1.00 0.00 C ATOM 1219 C TYR A 82 16.952 10.362 -2.816 1.00 0.00 C ATOM 1220 O TYR A 82 15.920 10.961 -2.512 1.00 0.00 O ATOM 1221 CB TYR A 82 17.739 10.276 -5.189 1.00 0.00 C ATOM 1222 CG TYR A 82 17.232 11.688 -5.377 1.00 0.00 C ATOM 1223 CD1 TYR A 82 15.928 11.929 -5.789 1.00 0.00 C ATOM 1224 CD2 TYR A 82 18.057 12.780 -5.140 1.00 0.00 C ATOM 1225 CE1 TYR A 82 15.460 13.218 -5.962 1.00 0.00 C ATOM 1226 CE2 TYR A 82 17.598 14.072 -5.310 1.00 0.00 C ATOM 1227 CZ TYR A 82 16.299 14.286 -5.721 1.00 0.00 C ATOM 1228 OH TYR A 82 15.837 15.571 -5.891 1.00 0.00 O ATOM 0 H TYR A 82 14.940 9.743 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 82 17.577 8.600 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 82 18.805 10.309 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 82 17.628 9.731 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 82 15.268 11.095 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 82 19.075 12.616 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 82 14.443 13.388 -6.284 1.00 0.00 H new ATOM 0 HE2 TYR A 82 18.253 14.910 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 82 16.552 16.207 -5.679 1.00 0.00 H new ATOM 1238 N TYR A 83 18.060 10.413 -2.085 1.00 0.00 N ATOM 1239 CA TYR A 83 18.128 11.192 -0.855 1.00 0.00 C ATOM 1240 C TYR A 83 19.461 11.925 -0.747 1.00 0.00 C ATOM 1241 O TYR A 83 20.527 11.326 -0.890 1.00 0.00 O ATOM 1242 CB TYR A 83 17.934 10.283 0.360 1.00 0.00 C ATOM 1243 CG TYR A 83 17.660 11.036 1.642 1.00 0.00 C ATOM 1244 CD1 TYR A 83 16.372 11.438 1.973 1.00 0.00 C ATOM 1245 CD2 TYR A 83 18.689 11.346 2.523 1.00 0.00 C ATOM 1246 CE1 TYR A 83 16.117 12.127 3.143 1.00 0.00 C ATOM 1247 CE2 TYR A 83 18.443 12.033 3.696 1.00 0.00 C ATOM 1248 CZ TYR A 83 17.156 12.421 4.001 1.00 0.00 C ATOM 1249 OH TYR A 83 16.907 13.107 5.168 1.00 0.00 O ATOM 0 H TYR A 83 18.923 9.924 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 83 17.328 11.932 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 83 17.106 9.601 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 83 18.826 9.671 0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 83 15.556 11.208 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 83 19.699 11.045 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 83 15.110 12.434 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 83 19.254 12.265 4.370 1.00 0.00 H new ATOM 0 HH TYR A 83 17.746 13.232 5.659 1.00 0.00 H new ATOM 1259 N THR A 84 19.394 13.229 -0.493 1.00 0.00 N ATOM 1260 CA THR A 84 20.594 14.046 -0.366 1.00 0.00 C ATOM 1261 C THR A 84 21.023 14.171 1.092 1.00 0.00 C ATOM 1262 O THR A 84 20.455 14.958 1.850 1.00 0.00 O ATOM 1263 CB THR A 84 20.378 15.456 -0.948 1.00 0.00 C ATOM 1264 OG1 THR A 84 20.106 15.370 -2.351 1.00 0.00 O ATOM 1265 CG2 THR A 84 21.601 16.330 -0.716 1.00 0.00 C ATOM 0 H THR A 84 18.520 13.741 -0.371 1.00 0.00 H new ATOM 0 HA THR A 84 21.379 13.544 -0.931 1.00 0.00 H new ATOM 0 HB THR A 84 19.526 15.908 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.968 16.270 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.425 17.321 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.788 16.417 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.467 15.879 -1.200 1.00 0.00 H new ATOM 1273 N ILE A 85 22.026 13.390 1.477 1.00 0.00 N ATOM 1274 CA ILE A 85 22.532 13.415 2.844 1.00 0.00 C ATOM 1275 C ILE A 85 23.458 14.606 3.066 1.00 0.00 C ATOM 1276 O ILE A 85 24.372 14.848 2.278 1.00 0.00 O ATOM 1277 CB ILE A 85 23.288 12.119 3.189 1.00 0.00 C ATOM 1278 CG1 ILE A 85 22.431 10.897 2.851 1.00 0.00 C ATOM 1279 CG2 ILE A 85 23.679 12.109 4.659 1.00 0.00 C ATOM 1280 CD1 ILE A 85 23.202 9.596 2.868 1.00 0.00 C ATOM 0 H ILE A 85 22.505 12.732 0.862 1.00 0.00 H new ATOM 0 HA ILE A 85 21.666 13.505 3.499 1.00 0.00 H new ATOM 0 HB ILE A 85 24.198 12.077 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 85 21.608 10.832 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 85 21.989 11.035 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 85 24.213 11.186 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 85 24.323 12.963 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 85 22.782 12.171 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 85 22.532 8.773 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 85 24.008 9.641 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 85 23.622 9.435 3.861 1.00 0.00 H new ATOM 1292 N GLU A 86 23.217 15.344 4.144 1.00 0.00 N ATOM 1293 CA GLU A 86 24.031 16.509 4.470 1.00 0.00 C ATOM 1294 C GLU A 86 24.613 16.391 5.875 1.00 0.00 C ATOM 1295 O GLU A 86 24.263 15.484 6.629 1.00 0.00 O ATOM 1296 CB GLU A 86 23.199 17.789 4.357 1.00 0.00 C ATOM 1297 CG GLU A 86 22.779 18.118 2.934 1.00 0.00 C ATOM 1298 CD GLU A 86 22.355 19.565 2.771 1.00 0.00 C ATOM 1299 OE1 GLU A 86 23.244 20.430 2.630 1.00 0.00 O ATOM 1300 OE2 GLU A 86 21.135 19.831 2.785 1.00 0.00 O ATOM 0 H GLU A 86 22.465 15.156 4.807 1.00 0.00 H new ATOM 0 HA GLU A 86 24.854 16.555 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.307 17.689 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.774 18.623 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 86 23.607 17.907 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.955 17.467 2.642 1.00 0.00 H new ATOM 1307 N ASN A 87 25.505 17.314 6.220 1.00 0.00 N ATOM 1308 CA ASN A 87 26.137 17.313 7.534 1.00 0.00 C ATOM 1309 C ASN A 87 27.100 16.138 7.674 1.00 0.00 C ATOM 1310 O ASN A 87 27.030 15.374 8.637 1.00 0.00 O ATOM 1311 CB ASN A 87 25.075 17.250 8.634 1.00 0.00 C ATOM 1312 CG ASN A 87 23.929 18.212 8.387 1.00 0.00 C ATOM 1313 OD1 ASN A 87 24.141 19.405 8.171 1.00 0.00 O ATOM 1314 ND2 ASN A 87 22.706 17.695 8.419 1.00 0.00 N ATOM 0 H ASN A 87 25.806 18.072 5.608 1.00 0.00 H new ATOM 0 HA ASN A 87 26.703 18.238 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.685 16.234 8.701 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.537 17.478 9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 87 21.895 18.293 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 87 22.578 16.700 8.602 1.00 0.00 H new ATOM 1321 N LEU A 88 28.000 16.000 6.706 1.00 0.00 N ATOM 1322 CA LEU A 88 28.979 14.919 6.720 1.00 0.00 C ATOM 1323 C LEU A 88 30.400 15.471 6.729 1.00 0.00 C ATOM 1324 O LEU A 88 30.607 16.681 6.637 1.00 0.00 O ATOM 1325 CB LEU A 88 28.780 14.009 5.507 1.00 0.00 C ATOM 1326 CG LEU A 88 27.364 13.475 5.293 1.00 0.00 C ATOM 1327 CD1 LEU A 88 27.173 13.028 3.852 1.00 0.00 C ATOM 1328 CD2 LEU A 88 27.075 12.328 6.251 1.00 0.00 C ATOM 0 H LEU A 88 28.072 16.623 5.902 1.00 0.00 H new ATOM 0 HA LEU A 88 28.830 14.338 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 88 29.079 14.558 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 88 29.457 13.160 5.600 1.00 0.00 H new ATOM 0 HG LEU A 88 26.659 14.280 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 26.159 12.651 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 88 27.336 13.874 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 88 27.887 12.238 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.062 11.961 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 88 27.787 11.521 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 88 27.168 12.680 7.278 1.00 0.00 H new ATOM 1340 N ASP A 89 31.377 14.577 6.837 1.00 0.00 N ATOM 1341 CA ASP A 89 32.780 14.974 6.854 1.00 0.00 C ATOM 1342 C ASP A 89 33.424 14.750 5.490 1.00 0.00 C ATOM 1343 O ASP A 89 33.433 13.642 4.954 1.00 0.00 O ATOM 1344 CB ASP A 89 33.540 14.192 7.926 1.00 0.00 C ATOM 1345 CG ASP A 89 33.408 14.816 9.301 1.00 0.00 C ATOM 1346 OD1 ASP A 89 33.745 16.010 9.447 1.00 0.00 O ATOM 1347 OD2 ASP A 89 32.967 14.111 10.232 1.00 0.00 O ATOM 0 H ASP A 89 31.223 13.572 6.914 1.00 0.00 H new ATOM 0 HA ASP A 89 32.829 16.037 7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 89 33.167 13.168 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 89 34.594 14.139 7.654 1.00 0.00 H new ATOM 1352 N PRO A 90 33.976 15.828 4.912 1.00 0.00 N ATOM 1353 CA PRO A 90 34.633 15.774 3.602 1.00 0.00 C ATOM 1354 C PRO A 90 35.947 15.002 3.644 1.00 0.00 C ATOM 1355 O PRO A 90 36.582 14.895 4.692 1.00 0.00 O ATOM 1356 CB PRO A 90 34.889 17.247 3.274 1.00 0.00 C ATOM 1357 CG PRO A 90 34.955 17.925 4.599 1.00 0.00 C ATOM 1358 CD PRO A 90 34.002 17.181 5.493 1.00 0.00 C ATOM 0 HA PRO A 90 34.023 15.257 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 90 35.818 17.373 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 90 34.090 17.660 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 90 35.968 17.899 5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 90 34.673 18.974 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 90 34.348 17.168 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 90 33.012 17.637 5.494 1.00 0.00 H new ATOM 1366 N SER A 91 36.348 14.465 2.496 1.00 0.00 N ATOM 1367 CA SER A 91 37.586 13.699 2.402 1.00 0.00 C ATOM 1368 C SER A 91 37.541 12.481 3.320 1.00 0.00 C ATOM 1369 O SER A 91 38.450 12.259 4.120 1.00 0.00 O ATOM 1370 CB SER A 91 38.784 14.579 2.762 1.00 0.00 C ATOM 1371 OG SER A 91 40.004 13.889 2.555 1.00 0.00 O ATOM 0 H SER A 91 35.834 14.546 1.619 1.00 0.00 H new ATOM 0 HA SER A 91 37.694 13.354 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.768 15.486 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 91 38.711 14.890 3.804 1.00 0.00 H new ATOM 0 HG SER A 91 40.026 13.088 3.119 1.00 0.00 H new ATOM 1377 N SER A 92 36.477 11.694 3.198 1.00 0.00 N ATOM 1378 CA SER A 92 36.311 10.500 4.018 1.00 0.00 C ATOM 1379 C SER A 92 35.438 9.470 3.307 1.00 0.00 C ATOM 1380 O SER A 92 34.495 9.822 2.597 1.00 0.00 O ATOM 1381 CB SER A 92 35.691 10.865 5.368 1.00 0.00 C ATOM 1382 OG SER A 92 36.639 11.499 6.209 1.00 0.00 O ATOM 0 H SER A 92 35.717 11.862 2.539 1.00 0.00 H new ATOM 0 HA SER A 92 37.296 10.064 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.838 11.526 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 92 35.313 9.965 5.854 1.00 0.00 H new ATOM 0 HG SER A 92 37.429 11.746 5.684 1.00 0.00 H new ATOM 1388 N HIS A 93 35.759 8.195 3.503 1.00 0.00 N ATOM 1389 CA HIS A 93 35.005 7.112 2.882 1.00 0.00 C ATOM 1390 C HIS A 93 33.738 6.807 3.676 1.00 0.00 C ATOM 1391 O HIS A 93 33.781 6.650 4.896 1.00 0.00 O ATOM 1392 CB HIS A 93 35.869 5.855 2.776 1.00 0.00 C ATOM 1393 CG HIS A 93 35.081 4.604 2.538 1.00 0.00 C ATOM 1394 ND1 HIS A 93 33.905 4.407 1.897 1.00 0.00 N flip ATOM 1395 CD2 HIS A 93 35.484 3.364 2.986 1.00 0.00 C flip ATOM 1396 CE1 HIS A 93 33.623 3.065 1.966 1.00 0.00 C flip ATOM 1397 NE2 HIS A 93 34.592 2.458 2.628 1.00 0.00 N flip ATOM 0 H HIS A 93 36.536 7.887 4.087 1.00 0.00 H new ATOM 0 HA HIS A 93 34.717 7.431 1.880 1.00 0.00 H new ATOM 0 HB2 HIS A 93 36.585 5.984 1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 93 36.446 5.742 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 93 36.388 3.165 3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 93 32.751 2.584 1.547 1.00 0.00 H new ATOM 0 HE2 HIS A 93 34.643 1.459 2.829 1.00 0.00 H new ATOM 1406 N TYR A 94 32.612 6.726 2.976 1.00 0.00 N ATOM 1407 CA TYR A 94 31.333 6.444 3.615 1.00 0.00 C ATOM 1408 C TYR A 94 30.645 5.252 2.955 1.00 0.00 C ATOM 1409 O TYR A 94 30.526 5.189 1.732 1.00 0.00 O ATOM 1410 CB TYR A 94 30.424 7.672 3.550 1.00 0.00 C ATOM 1411 CG TYR A 94 30.668 8.666 4.663 1.00 0.00 C ATOM 1412 CD1 TYR A 94 30.022 8.540 5.887 1.00 0.00 C ATOM 1413 CD2 TYR A 94 31.544 9.731 4.491 1.00 0.00 C ATOM 1414 CE1 TYR A 94 30.241 9.446 6.907 1.00 0.00 C ATOM 1415 CE2 TYR A 94 31.770 10.640 5.506 1.00 0.00 C ATOM 1416 CZ TYR A 94 31.116 10.494 6.712 1.00 0.00 C ATOM 1417 OH TYR A 94 31.338 11.398 7.725 1.00 0.00 O ATOM 0 H TYR A 94 32.559 6.852 1.965 1.00 0.00 H new ATOM 0 HA TYR A 94 31.525 6.197 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 94 30.568 8.170 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 94 29.384 7.346 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 94 29.337 7.720 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 94 32.057 9.850 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 94 29.730 9.334 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 94 32.455 11.461 5.356 1.00 0.00 H new ATOM 0 HH TYR A 94 32.177 11.178 8.181 1.00 0.00 H new ATOM 1427 N VAL A 95 30.193 4.310 3.776 1.00 0.00 N ATOM 1428 CA VAL A 95 29.514 3.120 3.274 1.00 0.00 C ATOM 1429 C VAL A 95 28.002 3.311 3.269 1.00 0.00 C ATOM 1430 O VAL A 95 27.372 3.387 4.324 1.00 0.00 O ATOM 1431 CB VAL A 95 29.861 1.879 4.117 1.00 0.00 C ATOM 1432 CG1 VAL A 95 29.125 0.655 3.593 1.00 0.00 C ATOM 1433 CG2 VAL A 95 31.364 1.644 4.126 1.00 0.00 C ATOM 0 H VAL A 95 30.284 4.347 4.791 1.00 0.00 H new ATOM 0 HA VAL A 95 29.861 2.965 2.252 1.00 0.00 H new ATOM 0 HB VAL A 95 29.538 2.056 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 95 29.382 -0.212 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 95 28.050 0.827 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 95 29.415 0.472 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 95 31.591 0.763 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 95 31.714 1.488 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 95 31.866 2.513 4.552 1.00 0.00 H new ATOM 1443 N ILE A 96 27.425 3.388 2.074 1.00 0.00 N ATOM 1444 CA ILE A 96 25.986 3.568 1.932 1.00 0.00 C ATOM 1445 C ILE A 96 25.291 2.242 1.643 1.00 0.00 C ATOM 1446 O ILE A 96 25.817 1.398 0.916 1.00 0.00 O ATOM 1447 CB ILE A 96 25.652 4.565 0.806 1.00 0.00 C ATOM 1448 CG1 ILE A 96 25.956 5.996 1.256 1.00 0.00 C ATOM 1449 CG2 ILE A 96 24.193 4.432 0.396 1.00 0.00 C ATOM 1450 CD1 ILE A 96 27.381 6.425 0.985 1.00 0.00 C ATOM 0 H ILE A 96 27.932 3.329 1.191 1.00 0.00 H new ATOM 0 HA ILE A 96 25.623 3.966 2.880 1.00 0.00 H new ATOM 0 HB ILE A 96 26.274 4.336 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 96 25.276 6.680 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 96 25.756 6.083 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 96 23.973 5.143 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 96 24.006 3.419 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 96 23.554 4.639 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 96 27.524 7.449 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 96 28.067 5.764 1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 96 27.580 6.371 -0.085 1.00 0.00 H new ATOM 1462 N THR A 97 24.105 2.064 2.215 1.00 0.00 N ATOM 1463 CA THR A 97 23.337 0.841 2.019 1.00 0.00 C ATOM 1464 C THR A 97 21.858 1.147 1.815 1.00 0.00 C ATOM 1465 O THR A 97 21.351 2.162 2.295 1.00 0.00 O ATOM 1466 CB THR A 97 23.491 -0.117 3.215 1.00 0.00 C ATOM 1467 OG1 THR A 97 23.050 0.524 4.417 1.00 0.00 O ATOM 1468 CG2 THR A 97 24.939 -0.558 3.372 1.00 0.00 C ATOM 0 H THR A 97 23.655 2.752 2.819 1.00 0.00 H new ATOM 0 HA THR A 97 23.732 0.360 1.124 1.00 0.00 H new ATOM 0 HB THR A 97 22.877 -0.998 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 97 23.150 -0.093 5.172 1.00 0.00 H new ATOM 0 HG21 THR A 97 25.023 -1.234 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 97 25.263 -1.072 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 97 25.569 0.315 3.539 1.00 0.00 H new ATOM 1476 N LEU A 98 21.168 0.263 1.102 1.00 0.00 N ATOM 1477 CA LEU A 98 19.745 0.439 0.835 1.00 0.00 C ATOM 1478 C LEU A 98 19.017 -0.901 0.859 1.00 0.00 C ATOM 1479 O LEU A 98 19.506 -1.895 0.320 1.00 0.00 O ATOM 1480 CB LEU A 98 19.539 1.120 -0.519 1.00 0.00 C ATOM 1481 CG LEU A 98 18.127 1.047 -1.100 1.00 0.00 C ATOM 1482 CD1 LEU A 98 17.268 2.180 -0.561 1.00 0.00 C ATOM 1483 CD2 LEU A 98 18.173 1.087 -2.620 1.00 0.00 C ATOM 0 H LEU A 98 21.571 -0.583 0.699 1.00 0.00 H new ATOM 0 HA LEU A 98 19.330 1.072 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 98 19.816 2.170 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.229 0.674 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 98 17.678 0.102 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.267 2.111 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.207 2.106 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.713 3.136 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 98 17.159 1.034 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 98 18.642 2.016 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 98 18.751 0.240 -2.989 1.00 0.00 H new ATOM 1495 N LYS A 99 17.845 -0.922 1.484 1.00 0.00 N ATOM 1496 CA LYS A 99 17.047 -2.139 1.575 1.00 0.00 C ATOM 1497 C LYS A 99 15.563 -1.830 1.400 1.00 0.00 C ATOM 1498 O LYS A 99 15.064 -0.828 1.910 1.00 0.00 O ATOM 1499 CB LYS A 99 17.280 -2.827 2.922 1.00 0.00 C ATOM 1500 CG LYS A 99 16.808 -2.010 4.112 1.00 0.00 C ATOM 1501 CD LYS A 99 16.585 -2.884 5.335 1.00 0.00 C ATOM 1502 CE LYS A 99 17.900 -3.248 6.007 1.00 0.00 C ATOM 1503 NZ LYS A 99 17.690 -3.793 7.377 1.00 0.00 N ATOM 0 H LYS A 99 17.426 -0.109 1.936 1.00 0.00 H new ATOM 0 HA LYS A 99 17.358 -2.809 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.764 -3.787 2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.344 -3.036 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.546 -1.241 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.881 -1.496 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.945 -2.361 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.060 -3.794 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.427 -3.984 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.537 -2.365 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.610 -4.029 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.210 -3.081 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.103 -4.650 7.324 1.00 0.00 H new ATOM 1517 N ALA A 100 14.864 -2.700 0.678 1.00 0.00 N ATOM 1518 CA ALA A 100 13.437 -2.522 0.439 1.00 0.00 C ATOM 1519 C ALA A 100 12.613 -3.103 1.583 1.00 0.00 C ATOM 1520 O ALA A 100 12.895 -4.198 2.070 1.00 0.00 O ATOM 1521 CB ALA A 100 13.039 -3.164 -0.881 1.00 0.00 C ATOM 0 H ALA A 100 15.263 -3.535 0.249 1.00 0.00 H new ATOM 0 HA ALA A 100 13.233 -1.453 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.971 -3.023 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.596 -2.699 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.264 -4.230 -0.850 1.00 0.00 H new ATOM 1527 N PHE A 101 11.593 -2.364 2.007 1.00 0.00 N ATOM 1528 CA PHE A 101 10.728 -2.806 3.094 1.00 0.00 C ATOM 1529 C PHE A 101 9.259 -2.597 2.740 1.00 0.00 C ATOM 1530 O PHE A 101 8.935 -1.911 1.772 1.00 0.00 O ATOM 1531 CB PHE A 101 11.066 -2.051 4.382 1.00 0.00 C ATOM 1532 CG PHE A 101 10.619 -0.618 4.371 1.00 0.00 C ATOM 1533 CD1 PHE A 101 9.272 -0.298 4.427 1.00 0.00 C ATOM 1534 CD2 PHE A 101 11.546 0.410 4.306 1.00 0.00 C ATOM 1535 CE1 PHE A 101 8.857 1.021 4.418 1.00 0.00 C ATOM 1536 CE2 PHE A 101 11.137 1.731 4.297 1.00 0.00 C ATOM 1537 CZ PHE A 101 9.791 2.036 4.352 1.00 0.00 C ATOM 0 H PHE A 101 11.345 -1.456 1.614 1.00 0.00 H new ATOM 0 HA PHE A 101 10.898 -3.871 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.602 -2.562 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.144 -2.086 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.538 -1.088 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.600 0.177 4.262 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.804 1.257 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.869 2.523 4.247 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.469 3.067 4.343 1.00 0.00 H new ATOM 1547 N ASN A 102 8.375 -3.195 3.532 1.00 0.00 N ATOM 1548 CA ASN A 102 6.939 -3.076 3.302 1.00 0.00 C ATOM 1549 C ASN A 102 6.151 -3.659 4.471 1.00 0.00 C ATOM 1550 O ASN A 102 6.729 -4.187 5.420 1.00 0.00 O ATOM 1551 CB ASN A 102 6.549 -3.787 2.004 1.00 0.00 C ATOM 1552 CG ASN A 102 6.585 -5.297 2.139 1.00 0.00 C ATOM 1553 OD1 ASN A 102 7.323 -5.841 2.961 1.00 0.00 O ATOM 1554 ND2 ASN A 102 5.786 -5.982 1.329 1.00 0.00 N ATOM 0 H ASN A 102 8.627 -3.767 4.338 1.00 0.00 H new ATOM 0 HA ASN A 102 6.696 -2.017 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.547 -3.475 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.226 -3.480 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.767 -7.001 1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.191 -5.489 0.663 1.00 0.00 H new ATOM 1561 N ASN A 103 4.828 -3.558 4.394 1.00 0.00 N ATOM 1562 CA ASN A 103 3.960 -4.075 5.445 1.00 0.00 C ATOM 1563 C ASN A 103 4.328 -5.514 5.797 1.00 0.00 C ATOM 1564 O ASN A 103 4.101 -5.968 6.919 1.00 0.00 O ATOM 1565 CB ASN A 103 2.496 -4.005 5.007 1.00 0.00 C ATOM 1566 CG ASN A 103 1.546 -3.869 6.182 1.00 0.00 C ATOM 1567 OD1 ASN A 103 1.974 -3.781 7.333 1.00 0.00 O ATOM 1568 ND2 ASN A 103 0.250 -3.851 5.896 1.00 0.00 N ATOM 0 H ASN A 103 4.334 -3.123 3.615 1.00 0.00 H new ATOM 0 HA ASN A 103 4.098 -3.456 6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.361 -3.158 4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.245 -4.903 4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.436 -3.761 6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.060 -3.927 4.927 1.00 0.00 H new ATOM 1575 N VAL A 104 4.900 -6.225 4.831 1.00 0.00 N ATOM 1576 CA VAL A 104 5.302 -7.612 5.038 1.00 0.00 C ATOM 1577 C VAL A 104 6.579 -7.695 5.867 1.00 0.00 C ATOM 1578 O VAL A 104 6.687 -8.514 6.779 1.00 0.00 O ATOM 1579 CB VAL A 104 5.524 -8.338 3.698 1.00 0.00 C ATOM 1580 CG1 VAL A 104 5.905 -9.791 3.935 1.00 0.00 C ATOM 1581 CG2 VAL A 104 4.282 -8.239 2.826 1.00 0.00 C ATOM 0 H VAL A 104 5.096 -5.864 3.897 1.00 0.00 H new ATOM 0 HA VAL A 104 4.490 -8.101 5.576 1.00 0.00 H new ATOM 0 HB VAL A 104 6.347 -7.852 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.058 -10.288 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.825 -9.835 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.106 -10.292 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.457 -8.757 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.438 -8.698 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.059 -7.191 2.628 1.00 0.00 H new ATOM 1591 N GLY A 105 7.545 -6.841 5.544 1.00 0.00 N ATOM 1592 CA GLY A 105 8.802 -6.834 6.269 1.00 0.00 C ATOM 1593 C GLY A 105 9.913 -6.151 5.496 1.00 0.00 C ATOM 1594 O GLY A 105 9.653 -5.309 4.638 1.00 0.00 O ATOM 0 H GLY A 105 7.480 -6.154 4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.664 -6.328 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.096 -7.860 6.491 1.00 0.00 H new ATOM 1598 N GLU A 106 11.155 -6.512 5.804 1.00 0.00 N ATOM 1599 CA GLU A 106 12.309 -5.925 5.133 1.00 0.00 C ATOM 1600 C GLU A 106 13.046 -6.972 4.303 1.00 0.00 C ATOM 1601 O GLU A 106 12.915 -8.172 4.539 1.00 0.00 O ATOM 1602 CB GLU A 106 13.262 -5.306 6.157 1.00 0.00 C ATOM 1603 CG GLU A 106 12.553 -4.549 7.268 1.00 0.00 C ATOM 1604 CD GLU A 106 13.474 -3.592 8.001 1.00 0.00 C ATOM 1605 OE1 GLU A 106 14.236 -2.868 7.327 1.00 0.00 O ATOM 1606 OE2 GLU A 106 13.432 -3.569 9.249 1.00 0.00 O ATOM 0 H GLU A 106 11.388 -7.207 6.513 1.00 0.00 H new ATOM 0 HA GLU A 106 11.949 -5.143 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.871 -6.095 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.943 -4.627 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.717 -3.991 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.135 -5.262 7.979 1.00 0.00 H new ATOM 1613 N GLY A 107 13.823 -6.507 3.329 1.00 0.00 N ATOM 1614 CA GLY A 107 14.569 -7.415 2.478 1.00 0.00 C ATOM 1615 C GLY A 107 16.054 -7.410 2.786 1.00 0.00 C ATOM 1616 O GLY A 107 16.454 -7.249 3.939 1.00 0.00 O ATOM 0 H GLY A 107 13.949 -5.518 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.179 -8.426 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.416 -7.138 1.435 1.00 0.00 H new ATOM 1620 N ILE A 108 16.871 -7.589 1.754 1.00 0.00 N ATOM 1621 CA ILE A 108 18.319 -7.605 1.921 1.00 0.00 C ATOM 1622 C ILE A 108 18.940 -6.293 1.454 1.00 0.00 C ATOM 1623 O ILE A 108 18.762 -5.864 0.314 1.00 0.00 O ATOM 1624 CB ILE A 108 18.962 -8.769 1.145 1.00 0.00 C ATOM 1625 CG1 ILE A 108 18.114 -9.127 -0.077 1.00 0.00 C ATOM 1626 CG2 ILE A 108 19.132 -9.979 2.051 1.00 0.00 C ATOM 1627 CD1 ILE A 108 16.957 -10.049 0.239 1.00 0.00 C ATOM 0 H ILE A 108 16.555 -7.725 0.794 1.00 0.00 H new ATOM 0 HA ILE A 108 18.513 -7.738 2.985 1.00 0.00 H new ATOM 0 HB ILE A 108 19.947 -8.456 0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 108 17.726 -8.210 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 108 18.751 -9.599 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 108 19.588 -10.794 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 108 19.773 -9.716 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 108 18.157 -10.295 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 108 16.400 -10.260 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 108 17.338 -10.982 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 108 16.298 -9.571 0.964 1.00 0.00 H new ATOM 1639 N PRO A 109 19.690 -5.640 2.355 1.00 0.00 N ATOM 1640 CA PRO A 109 20.355 -4.368 2.058 1.00 0.00 C ATOM 1641 C PRO A 109 21.508 -4.533 1.073 1.00 0.00 C ATOM 1642 O PRO A 109 21.989 -5.644 0.846 1.00 0.00 O ATOM 1643 CB PRO A 109 20.879 -3.914 3.423 1.00 0.00 C ATOM 1644 CG PRO A 109 21.036 -5.172 4.205 1.00 0.00 C ATOM 1645 CD PRO A 109 19.945 -6.093 3.732 1.00 0.00 C ATOM 0 HA PRO A 109 19.678 -3.655 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.828 -3.386 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.182 -3.231 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.019 -5.614 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.948 -4.980 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 109 20.259 -7.136 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.053 -6.012 4.353 1.00 0.00 H new ATOM 1653 N LEU A 110 21.947 -3.422 0.492 1.00 0.00 N ATOM 1654 CA LEU A 110 23.045 -3.444 -0.469 1.00 0.00 C ATOM 1655 C LEU A 110 24.282 -2.758 0.102 1.00 0.00 C ATOM 1656 O LEU A 110 24.198 -2.022 1.086 1.00 0.00 O ATOM 1657 CB LEU A 110 22.623 -2.760 -1.770 1.00 0.00 C ATOM 1658 CG LEU A 110 21.527 -3.461 -2.573 1.00 0.00 C ATOM 1659 CD1 LEU A 110 20.841 -2.480 -3.510 1.00 0.00 C ATOM 1660 CD2 LEU A 110 22.104 -4.633 -3.353 1.00 0.00 C ATOM 0 H LEU A 110 21.560 -2.495 0.669 1.00 0.00 H new ATOM 0 HA LEU A 110 23.293 -4.485 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.283 -1.752 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 110 23.503 -2.659 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 110 20.783 -3.846 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.064 -2.997 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.392 -1.674 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.574 -2.064 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 110 21.310 -5.120 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.869 -4.271 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.547 -5.348 -2.660 1.00 0.00 H new ATOM 1672 N TYR A 111 25.428 -3.002 -0.522 1.00 0.00 N ATOM 1673 CA TYR A 111 26.683 -2.407 -0.076 1.00 0.00 C ATOM 1674 C TYR A 111 27.283 -1.521 -1.163 1.00 0.00 C ATOM 1675 O TYR A 111 27.782 -2.014 -2.175 1.00 0.00 O ATOM 1676 CB TYR A 111 27.679 -3.501 0.314 1.00 0.00 C ATOM 1677 CG TYR A 111 27.546 -3.958 1.749 1.00 0.00 C ATOM 1678 CD1 TYR A 111 26.330 -4.413 2.244 1.00 0.00 C ATOM 1679 CD2 TYR A 111 28.637 -3.935 2.610 1.00 0.00 C ATOM 1680 CE1 TYR A 111 26.204 -4.831 3.554 1.00 0.00 C ATOM 1681 CE2 TYR A 111 28.520 -4.352 3.922 1.00 0.00 C ATOM 1682 CZ TYR A 111 27.302 -4.799 4.389 1.00 0.00 C ATOM 1683 OH TYR A 111 27.180 -5.215 5.695 1.00 0.00 O ATOM 0 H TYR A 111 25.515 -3.608 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 111 26.473 -1.788 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 111 27.541 -4.358 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 111 28.692 -3.133 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 111 25.469 -4.440 1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 111 29.592 -3.585 2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 111 25.251 -5.181 3.923 1.00 0.00 H new ATOM 0 HE2 TYR A 111 29.378 -4.328 4.578 1.00 0.00 H new ATOM 0 HH TYR A 111 28.045 -5.130 6.147 1.00 0.00 H new ATOM 1693 N GLU A 112 27.231 -0.211 -0.945 1.00 0.00 N ATOM 1694 CA GLU A 112 27.769 0.745 -1.906 1.00 0.00 C ATOM 1695 C GLU A 112 28.954 1.503 -1.315 1.00 0.00 C ATOM 1696 O GLU A 112 29.287 1.337 -0.141 1.00 0.00 O ATOM 1697 CB GLU A 112 26.683 1.732 -2.340 1.00 0.00 C ATOM 1698 CG GLU A 112 26.852 2.235 -3.764 1.00 0.00 C ATOM 1699 CD GLU A 112 27.246 1.134 -4.729 1.00 0.00 C ATOM 1700 OE1 GLU A 112 26.665 0.032 -4.643 1.00 0.00 O ATOM 1701 OE2 GLU A 112 28.137 1.374 -5.570 1.00 0.00 O ATOM 0 H GLU A 112 26.822 0.213 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 112 28.114 0.189 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 112 25.709 1.252 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 112 26.685 2.584 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.919 2.689 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 112 27.611 3.017 -3.781 1.00 0.00 H new ATOM 1708 N SER A 113 29.586 2.335 -2.136 1.00 0.00 N ATOM 1709 CA SER A 113 30.737 3.115 -1.697 1.00 0.00 C ATOM 1710 C SER A 113 30.673 4.536 -2.250 1.00 0.00 C ATOM 1711 O SER A 113 30.148 4.766 -3.339 1.00 0.00 O ATOM 1712 CB SER A 113 32.037 2.441 -2.140 1.00 0.00 C ATOM 1713 OG SER A 113 32.090 2.315 -3.550 1.00 0.00 O ATOM 0 H SER A 113 29.320 2.486 -3.109 1.00 0.00 H new ATOM 0 HA SER A 113 30.716 3.166 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 113 32.890 3.024 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 113 32.115 1.456 -1.680 1.00 0.00 H new ATOM 0 HG SER A 113 32.931 1.883 -3.808 1.00 0.00 H new ATOM 1719 N ALA A 114 31.212 5.484 -1.491 1.00 0.00 N ATOM 1720 CA ALA A 114 31.218 6.882 -1.905 1.00 0.00 C ATOM 1721 C ALA A 114 32.203 7.696 -1.072 1.00 0.00 C ATOM 1722 O ALA A 114 31.990 7.916 0.120 1.00 0.00 O ATOM 1723 CB ALA A 114 29.819 7.471 -1.797 1.00 0.00 C ATOM 0 H ALA A 114 31.650 5.310 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 114 31.539 6.926 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 114 29.839 8.515 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 114 29.139 6.913 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 114 29.476 7.408 -0.764 1.00 0.00 H new ATOM 1729 N VAL A 115 33.282 8.142 -1.709 1.00 0.00 N ATOM 1730 CA VAL A 115 34.299 8.932 -1.027 1.00 0.00 C ATOM 1731 C VAL A 115 34.036 10.425 -1.189 1.00 0.00 C ATOM 1732 O VAL A 115 34.240 10.990 -2.264 1.00 0.00 O ATOM 1733 CB VAL A 115 35.709 8.610 -1.557 1.00 0.00 C ATOM 1734 CG1 VAL A 115 36.764 9.364 -0.762 1.00 0.00 C ATOM 1735 CG2 VAL A 115 35.965 7.112 -1.512 1.00 0.00 C ATOM 0 H VAL A 115 33.473 7.969 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 115 34.247 8.670 0.030 1.00 0.00 H new ATOM 0 HB VAL A 115 35.771 8.935 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 115 37.753 9.124 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 115 36.590 10.436 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 115 36.706 9.073 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 115 36.966 6.902 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 115 35.884 6.760 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 115 35.229 6.598 -2.130 1.00 0.00 H new ATOM 1745 N THR A 116 33.580 11.061 -0.114 1.00 0.00 N ATOM 1746 CA THR A 116 33.288 12.488 -0.137 1.00 0.00 C ATOM 1747 C THR A 116 34.483 13.287 -0.644 1.00 0.00 C ATOM 1748 O THR A 116 35.623 13.027 -0.259 1.00 0.00 O ATOM 1749 CB THR A 116 32.896 13.004 1.261 1.00 0.00 C ATOM 1750 OG1 THR A 116 33.868 12.588 2.226 1.00 0.00 O ATOM 1751 CG2 THR A 116 31.522 12.490 1.662 1.00 0.00 C ATOM 0 H THR A 116 33.405 10.609 0.784 1.00 0.00 H new ATOM 0 HA THR A 116 32.447 12.627 -0.817 1.00 0.00 H new ATOM 0 HB THR A 116 32.862 14.093 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 116 33.652 12.981 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 116 31.267 12.867 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 116 30.780 12.833 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 116 31.532 11.400 1.681 1.00 0.00 H new ATOM 1759 N ARG A 117 34.215 14.259 -1.510 1.00 0.00 N ATOM 1760 CA ARG A 117 35.270 15.095 -2.070 1.00 0.00 C ATOM 1761 C ARG A 117 35.908 15.963 -0.990 1.00 0.00 C ATOM 1762 O ARG A 117 35.264 16.362 -0.019 1.00 0.00 O ATOM 1763 CB ARG A 117 34.711 15.980 -3.186 1.00 0.00 C ATOM 1764 CG ARG A 117 34.335 15.211 -4.442 1.00 0.00 C ATOM 1765 CD ARG A 117 33.707 16.122 -5.486 1.00 0.00 C ATOM 1766 NE ARG A 117 32.875 15.381 -6.430 1.00 0.00 N ATOM 1767 CZ ARG A 117 33.361 14.709 -7.468 1.00 0.00 C ATOM 1768 NH1 ARG A 117 34.668 14.686 -7.693 1.00 0.00 N ATOM 1769 NH2 ARG A 117 32.540 14.059 -8.282 1.00 0.00 N ATOM 0 H ARG A 117 33.277 14.487 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 117 36.036 14.439 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 117 33.831 16.506 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 117 35.451 16.738 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 117 35.223 14.736 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 117 33.637 14.413 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 117 33.103 16.881 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 117 34.493 16.646 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 117 31.865 15.379 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 117 35.302 15.185 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 117 35.039 14.170 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 117 31.534 14.075 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 117 32.914 13.543 -9.079 1.00 0.00 H new ATOM 1783 N PRO A 118 37.204 16.262 -1.159 1.00 0.00 N ATOM 1784 CA PRO A 118 37.958 17.086 -0.209 1.00 0.00 C ATOM 1785 C PRO A 118 37.517 18.545 -0.230 1.00 0.00 C ATOM 1786 O PRO A 118 37.440 19.166 -1.291 1.00 0.00 O ATOM 1787 CB PRO A 118 39.403 16.957 -0.696 1.00 0.00 C ATOM 1788 CG PRO A 118 39.287 16.639 -2.146 1.00 0.00 C ATOM 1789 CD PRO A 118 38.035 15.821 -2.293 1.00 0.00 C ATOM 0 HA PRO A 118 37.810 16.759 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 118 39.958 17.881 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 118 39.933 16.170 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 118 39.230 17.550 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 118 40.158 16.085 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 118 37.543 16.007 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 118 38.245 14.753 -2.246 1.00 0.00 H new