USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 949 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 73 ASN :FLIP amide:sc= -3.72! C(o=-12!,f=-10!) USER MOD Set 1.2: A 140 GLN :FLIP amide:sc= -6.59! C(o=-10!,f=-10!) USER MOD Set 2.1: A 117 ASN :FLIP amide:sc= 0.421 F(o=-0.58,f=0.46) USER MOD Set 2.2: A 134 GLN :FLIP amide:sc= 0.0435 F(o=-0.47,f=0.46) USER MOD Set 3.1: A 115 ASN : amide:sc= -3.85! C(o=-13!,f=-13!) USER MOD Set 3.2: A 126 TYR OH : rot 180:sc= -1.26 USER MOD Set 3.3: A 128 SER OG : rot 21:sc= -4.33! USER MOD Set 3.4: A 131 GLN :FLIP amide:sc= -3.1! F(o=-15,f=-13!) USER MOD Set 4.1: A 47 HIS :FLIP no HD1:sc= -3.32! C(o=-4.4!,f=-2.7!) USER MOD Set 4.2: A 78 ASN : amide:sc= 0.584 K(o=-2.7,f=-4.1) USER MOD Set 5.1: A 71 SER OG : rot -39:sc= -0.753 USER MOD Set 5.2: A 76 MET CE :methyl -160:sc= -0.485 (180deg=-1.68) USER MOD Set 6.1: A 22 HIS :FLIP no HE2:sc= -6.66! C(o=-8.6!,f=-7.6!) USER MOD Set 6.2: A 68 SER OG : rot 67:sc= -0.959 USER MOD Single : A 24 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-3.4!) USER MOD Single : A 27 THR OG1 : rot 99:sc= 0.105 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -146:sc= -10.6! (180deg=-16.8!) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= 0.409 (180deg=-4.82!) USER MOD Single : A 49 SER OG : rot 62:sc= -0.449 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -0.0446 (180deg=-0.273) USER MOD Single : A 64 SER OG : rot 140:sc= 1.47 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -36:sc= 0.156 USER MOD Single : A 96 TYR OH : rot -40:sc= -0.517! USER MOD Single : A 106 SER OG : rot -92:sc= -0.158 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -1.03 F(o=-2.7,f=-1) USER MOD Single : A 119 ASN :FLIP amide:sc= -1.05 F(o=-1.8,f=-1.1) USER MOD Single : A 121 SER OG : rot 62:sc= 0.175 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0383) USER MOD Single : A 124 TYR OH : rot 15:sc= -2! USER MOD Single : A 136 MET CE :methyl -160:sc= -4.52 (180deg=-6.36!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot -156:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.716 -1.471 -11.835 1.00 0.00 N ATOM 309 CA HIS A 22 -8.568 -2.915 -11.674 1.00 0.00 C ATOM 310 C HIS A 22 -7.252 -3.267 -10.986 1.00 0.00 C ATOM 311 O HIS A 22 -6.231 -3.467 -11.643 1.00 0.00 O ATOM 312 CB HIS A 22 -8.659 -3.620 -13.031 1.00 0.00 C ATOM 313 CG HIS A 22 -7.988 -2.881 -14.148 1.00 0.00 C ATOM 314 ND1 HIS A 22 -6.816 -2.201 -14.186 1.00 0.00 N flip ATOM 315 CD2 HIS A 22 -8.530 -2.777 -15.412 1.00 0.00 C flip ATOM 316 CE1 HIS A 22 -6.676 -1.706 -15.460 1.00 0.00 C flip ATOM 317 NE2 HIS A 22 -7.721 -2.067 -16.179 1.00 0.00 N flip ATOM 0 HA HIS A 22 -9.384 -3.261 -11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.213 -4.611 -12.945 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.709 -3.765 -13.284 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -6.161 -2.080 -13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.469 -3.208 -15.726 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.844 -1.116 -15.815 1.00 0.00 H new ATOM 326 N ILE A 23 -7.282 -3.352 -9.657 1.00 0.00 N ATOM 327 CA ILE A 23 -6.092 -3.692 -8.885 1.00 0.00 C ATOM 328 C ILE A 23 -6.463 -4.397 -7.572 1.00 0.00 C ATOM 329 O ILE A 23 -6.482 -3.790 -6.480 1.00 0.00 O ATOM 330 CB ILE A 23 -5.217 -2.442 -8.613 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.415 -2.081 -9.867 1.00 0.00 C ATOM 332 CG2 ILE A 23 -4.277 -2.668 -7.435 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.004 -0.934 -10.658 1.00 0.00 C ATOM 0 H ILE A 23 -8.117 -3.190 -9.095 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.503 -4.386 -9.484 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.879 -1.615 -8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.397 -1.824 -9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.350 -2.958 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.678 -1.773 -7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.861 -2.883 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.619 -3.510 -7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.382 -0.737 -11.531 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.011 -1.195 -10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.044 -0.043 -10.032 1.00 0.00 H new ATOM 345 N HIS A 24 -6.746 -5.697 -7.689 1.00 0.00 N ATOM 346 CA HIS A 24 -7.109 -6.547 -6.547 1.00 0.00 C ATOM 347 C HIS A 24 -7.440 -5.735 -5.295 1.00 0.00 C ATOM 348 O HIS A 24 -8.424 -6.018 -4.616 1.00 0.00 O ATOM 349 CB HIS A 24 -5.973 -7.526 -6.245 1.00 0.00 C ATOM 350 CG HIS A 24 -6.241 -8.917 -6.726 1.00 0.00 C ATOM 351 ND1 HIS A 24 -6.325 -10.003 -5.879 1.00 0.00 N ATOM 352 CD2 HIS A 24 -6.444 -9.402 -7.975 1.00 0.00 C ATOM 353 CE1 HIS A 24 -6.568 -11.092 -6.585 1.00 0.00 C ATOM 354 NE2 HIS A 24 -6.647 -10.754 -7.859 1.00 0.00 N ATOM 0 H HIS A 24 -6.730 -6.193 -8.580 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.010 -7.094 -6.826 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.056 -7.160 -6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -5.800 -7.549 -5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.446 -8.831 -8.891 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.683 -12.090 -6.188 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.829 -11.394 -8.632 1.00 0.00 H new ATOM 363 N TRP A 25 -6.588 -4.742 -4.999 1.00 0.00 N ATOM 364 CA TRP A 25 -6.732 -3.868 -3.837 1.00 0.00 C ATOM 365 C TRP A 25 -8.053 -3.996 -3.159 1.00 0.00 C ATOM 366 O TRP A 25 -8.131 -4.200 -1.948 1.00 0.00 O ATOM 367 CB TRP A 25 -6.467 -2.366 -4.161 1.00 0.00 C ATOM 368 CG TRP A 25 -7.124 -1.721 -5.368 1.00 0.00 C ATOM 369 CD1 TRP A 25 -8.373 -1.921 -5.896 1.00 0.00 C ATOM 370 CD2 TRP A 25 -6.531 -0.688 -6.171 1.00 0.00 C ATOM 371 NE1 TRP A 25 -8.567 -1.107 -6.978 1.00 0.00 N ATOM 372 CE2 TRP A 25 -7.459 -0.342 -7.164 1.00 0.00 C ATOM 373 CE3 TRP A 25 -5.296 -0.028 -6.150 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -7.199 0.625 -8.120 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -5.040 0.934 -7.104 1.00 0.00 C ATOM 376 CH2 TRP A 25 -5.988 1.253 -8.078 1.00 0.00 C ATOM 0 H TRP A 25 -5.771 -4.525 -5.570 1.00 0.00 H new ATOM 0 HA TRP A 25 -5.960 -4.217 -3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.762 -1.789 -3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -5.390 -2.244 -4.275 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -9.100 -2.621 -5.512 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.409 -1.079 -7.553 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.557 -0.268 -5.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.931 0.874 -8.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.091 1.449 -7.098 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.759 2.011 -8.812 1.00 0.00 H new ATOM 387 N ARG A 26 -9.078 -3.853 -3.935 1.00 0.00 N ATOM 388 CA ARG A 26 -10.425 -3.921 -3.400 1.00 0.00 C ATOM 389 C ARG A 26 -10.627 -2.884 -2.276 1.00 0.00 C ATOM 390 O ARG A 26 -11.756 -2.693 -1.822 1.00 0.00 O ATOM 391 CB ARG A 26 -10.707 -5.326 -2.863 1.00 0.00 C ATOM 392 CG ARG A 26 -11.044 -6.340 -3.946 1.00 0.00 C ATOM 393 CD ARG A 26 -12.345 -7.069 -3.651 1.00 0.00 C ATOM 394 NE ARG A 26 -13.252 -7.053 -4.796 1.00 0.00 N ATOM 395 CZ ARG A 26 -14.360 -7.787 -4.874 1.00 0.00 C ATOM 396 NH1 ARG A 26 -14.701 -8.594 -3.876 1.00 0.00 N ATOM 397 NH2 ARG A 26 -15.128 -7.715 -5.952 1.00 0.00 N ATOM 0 H ARG A 26 -9.023 -3.688 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.121 -3.695 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.835 -5.675 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.534 -5.275 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.122 -5.833 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.233 -7.063 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.128 -8.101 -3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.834 -6.606 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.023 -6.444 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.113 -8.654 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.551 -9.154 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.870 -7.097 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.977 -8.277 -6.012 1.00 0.00 H new ATOM 411 N THR A 27 -9.534 -2.223 -1.811 1.00 0.00 N ATOM 412 CA THR A 27 -9.622 -1.228 -0.735 1.00 0.00 C ATOM 413 C THR A 27 -9.392 -1.882 0.625 1.00 0.00 C ATOM 414 O THR A 27 -9.465 -3.101 0.757 1.00 0.00 O ATOM 415 CB THR A 27 -10.969 -0.497 -0.748 1.00 0.00 C ATOM 416 OG1 THR A 27 -11.398 -0.256 -2.076 1.00 0.00 O ATOM 417 CG2 THR A 27 -10.932 0.834 -0.029 1.00 0.00 C ATOM 0 H THR A 27 -8.590 -2.368 -2.170 1.00 0.00 H new ATOM 0 HA THR A 27 -8.839 -0.491 -0.910 1.00 0.00 H new ATOM 0 HB THR A 27 -11.661 -1.157 -0.225 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.051 -0.938 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.916 1.300 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.653 0.677 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.200 1.485 -0.506 1.00 0.00 H new ATOM 425 N LEU A 28 -9.101 -1.062 1.628 1.00 0.00 N ATOM 426 CA LEU A 28 -8.842 -1.556 2.979 1.00 0.00 C ATOM 427 C LEU A 28 -9.976 -2.442 3.492 1.00 0.00 C ATOM 428 O LEU A 28 -9.738 -3.393 4.237 1.00 0.00 O ATOM 429 CB LEU A 28 -8.635 -0.380 3.936 1.00 0.00 C ATOM 430 CG LEU A 28 -7.872 -0.719 5.217 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.520 0.549 5.980 1.00 0.00 C ATOM 432 CD2 LEU A 28 -8.690 -1.659 6.090 1.00 0.00 C ATOM 0 H LEU A 28 -9.038 -0.048 1.533 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.938 -2.163 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.098 0.409 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.610 0.025 4.207 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.945 -1.223 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.977 0.288 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.896 1.188 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.434 1.081 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.132 -1.890 6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.633 -1.181 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.891 -2.580 5.543 1.00 0.00 H new ATOM 444 N GLU A 29 -11.207 -2.122 3.107 1.00 0.00 N ATOM 445 CA GLU A 29 -12.366 -2.890 3.553 1.00 0.00 C ATOM 446 C GLU A 29 -12.395 -4.287 2.927 1.00 0.00 C ATOM 447 O GLU A 29 -11.962 -5.261 3.545 1.00 0.00 O ATOM 448 CB GLU A 29 -13.660 -2.131 3.235 1.00 0.00 C ATOM 449 CG GLU A 29 -14.877 -2.667 3.972 1.00 0.00 C ATOM 450 CD GLU A 29 -15.317 -4.026 3.464 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.060 -4.073 2.461 1.00 0.00 O ATOM 452 OE2 GLU A 29 -14.918 -5.044 4.069 1.00 0.00 O ATOM 0 H GLU A 29 -11.428 -1.340 2.490 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.285 -3.017 4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.526 -1.079 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.845 -2.179 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.651 -2.737 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.700 -1.960 3.867 1.00 0.00 H new ATOM 459 N ASP A 30 -12.914 -4.385 1.706 1.00 0.00 N ATOM 460 CA ASP A 30 -13.003 -5.668 1.018 1.00 0.00 C ATOM 461 C ASP A 30 -11.618 -6.263 0.769 1.00 0.00 C ATOM 462 O ASP A 30 -11.482 -7.468 0.559 1.00 0.00 O ATOM 463 CB ASP A 30 -13.752 -5.508 -0.306 1.00 0.00 C ATOM 464 CG ASP A 30 -14.296 -6.825 -0.824 1.00 0.00 C ATOM 465 OD1 ASP A 30 -13.516 -7.798 -0.907 1.00 0.00 O ATOM 466 OD2 ASP A 30 -15.501 -6.886 -1.145 1.00 0.00 O ATOM 0 H ASP A 30 -13.278 -3.594 1.175 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.554 -6.354 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.575 -4.805 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.082 -5.077 -1.050 1.00 0.00 H new ATOM 471 N GLY A 31 -10.594 -5.415 0.794 1.00 0.00 N ATOM 472 CA GLY A 31 -9.240 -5.887 0.570 1.00 0.00 C ATOM 473 C GLY A 31 -8.787 -6.860 1.640 1.00 0.00 C ATOM 474 O GLY A 31 -8.330 -7.960 1.333 1.00 0.00 O ATOM 0 H GLY A 31 -10.677 -4.413 0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.182 -6.370 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.560 -5.035 0.545 1.00 0.00 H new ATOM 478 N LYS A 32 -8.915 -6.456 2.900 1.00 0.00 N ATOM 479 CA LYS A 32 -8.517 -7.306 4.016 1.00 0.00 C ATOM 480 C LYS A 32 -9.354 -8.578 4.048 1.00 0.00 C ATOM 481 O LYS A 32 -8.864 -9.648 4.411 1.00 0.00 O ATOM 482 CB LYS A 32 -8.653 -6.550 5.341 1.00 0.00 C ATOM 483 CG LYS A 32 -10.088 -6.199 5.702 1.00 0.00 C ATOM 484 CD LYS A 32 -10.228 -5.874 7.181 1.00 0.00 C ATOM 485 CE LYS A 32 -11.472 -6.509 7.781 1.00 0.00 C ATOM 486 NZ LYS A 32 -12.467 -5.486 8.208 1.00 0.00 N ATOM 0 H LYS A 32 -9.290 -5.548 3.173 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.472 -7.583 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.225 -7.156 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.067 -5.633 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.415 -5.345 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.742 -7.033 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.346 -6.226 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.271 -4.793 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.928 -7.176 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.190 -7.121 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.300 -5.960 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.041 -4.865 8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.756 -4.918 7.386 1.00 0.00 H new ATOM 500 N LYS A 33 -10.621 -8.455 3.663 1.00 0.00 N ATOM 501 CA LYS A 33 -11.527 -9.599 3.646 1.00 0.00 C ATOM 502 C LYS A 33 -11.102 -10.621 2.597 1.00 0.00 C ATOM 503 O LYS A 33 -11.423 -11.805 2.704 1.00 0.00 O ATOM 504 CB LYS A 33 -12.959 -9.136 3.373 1.00 0.00 C ATOM 505 CG LYS A 33 -14.007 -10.204 3.652 1.00 0.00 C ATOM 506 CD LYS A 33 -14.912 -10.433 2.449 1.00 0.00 C ATOM 507 CE LYS A 33 -14.937 -11.899 2.040 1.00 0.00 C ATOM 508 NZ LYS A 33 -14.946 -12.062 0.560 1.00 0.00 N ATOM 0 H LYS A 33 -11.043 -7.577 3.359 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.485 -10.076 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.172 -8.260 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.039 -8.823 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.513 -11.138 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.610 -9.907 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.924 -10.103 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.566 -9.827 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.067 -12.407 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.819 -12.379 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.963 -13.074 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.789 -11.599 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.092 -11.626 0.158 1.00 0.00 H new ATOM 522 N GLU A 34 -10.378 -10.159 1.580 1.00 0.00 N ATOM 523 CA GLU A 34 -9.913 -11.038 0.512 1.00 0.00 C ATOM 524 C GLU A 34 -8.498 -11.537 0.788 1.00 0.00 C ATOM 525 O GLU A 34 -8.154 -12.671 0.454 1.00 0.00 O ATOM 526 CB GLU A 34 -9.955 -10.308 -0.832 1.00 0.00 C ATOM 527 CG GLU A 34 -10.084 -11.241 -2.024 1.00 0.00 C ATOM 528 CD GLU A 34 -11.333 -10.973 -2.841 1.00 0.00 C ATOM 529 OE1 GLU A 34 -12.433 -11.346 -2.383 1.00 0.00 O ATOM 530 OE2 GLU A 34 -11.210 -10.392 -3.940 1.00 0.00 O ATOM 0 H GLU A 34 -10.102 -9.183 1.474 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.579 -11.900 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.794 -9.612 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.048 -9.714 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.207 -11.133 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.098 -12.273 -1.673 1.00 0.00 H new ATOM 537 N ALA A 35 -7.682 -10.685 1.400 1.00 0.00 N ATOM 538 CA ALA A 35 -6.304 -11.042 1.719 1.00 0.00 C ATOM 539 C ALA A 35 -6.250 -12.291 2.592 1.00 0.00 C ATOM 540 O ALA A 35 -5.312 -13.083 2.501 1.00 0.00 O ATOM 541 CB ALA A 35 -5.603 -9.881 2.410 1.00 0.00 C ATOM 0 H ALA A 35 -7.951 -9.743 1.685 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.785 -11.260 0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.576 -10.162 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.602 -9.013 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.129 -9.635 3.333 1.00 0.00 H new ATOM 547 N ALA A 36 -7.262 -12.457 3.437 1.00 0.00 N ATOM 548 CA ALA A 36 -7.334 -13.608 4.329 1.00 0.00 C ATOM 549 C ALA A 36 -7.467 -14.908 3.542 1.00 0.00 C ATOM 550 O ALA A 36 -6.777 -15.888 3.822 1.00 0.00 O ATOM 551 CB ALA A 36 -8.499 -13.452 5.294 1.00 0.00 C ATOM 0 H ALA A 36 -8.044 -11.808 3.523 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.406 -13.654 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.542 -14.318 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.361 -12.549 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.430 -13.378 4.732 1.00 0.00 H new ATOM 557 N ALA A 37 -8.359 -14.909 2.556 1.00 0.00 N ATOM 558 CA ALA A 37 -8.584 -16.089 1.729 1.00 0.00 C ATOM 559 C ALA A 37 -7.296 -16.531 1.041 1.00 0.00 C ATOM 560 O ALA A 37 -6.695 -17.539 1.415 1.00 0.00 O ATOM 561 CB ALA A 37 -9.669 -15.812 0.699 1.00 0.00 C ATOM 0 H ALA A 37 -8.938 -14.106 2.311 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.914 -16.900 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.827 -16.701 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.597 -15.553 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.362 -14.984 0.061 1.00 0.00 H new ATOM 567 N SER A 38 -6.876 -15.772 0.034 1.00 0.00 N ATOM 568 CA SER A 38 -5.659 -16.086 -0.705 1.00 0.00 C ATOM 569 C SER A 38 -4.440 -16.038 0.211 1.00 0.00 C ATOM 570 O SER A 38 -3.456 -16.743 -0.012 1.00 0.00 O ATOM 571 CB SER A 38 -5.479 -15.109 -1.870 1.00 0.00 C ATOM 572 OG SER A 38 -5.884 -15.696 -3.094 1.00 0.00 O ATOM 0 H SER A 38 -7.361 -14.935 -0.289 1.00 0.00 H new ATOM 0 HA SER A 38 -5.753 -17.097 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.062 -14.207 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.434 -14.806 -1.936 1.00 0.00 H new ATOM 0 HG SER A 38 -5.761 -15.052 -3.822 1.00 0.00 H new ATOM 578 N GLY A 39 -4.511 -15.202 1.242 1.00 0.00 N ATOM 579 CA GLY A 39 -3.406 -15.078 2.174 1.00 0.00 C ATOM 580 C GLY A 39 -2.244 -14.301 1.592 1.00 0.00 C ATOM 581 O GLY A 39 -1.085 -14.674 1.778 1.00 0.00 O ATOM 0 H GLY A 39 -5.314 -14.608 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.753 -14.583 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.066 -16.072 2.464 1.00 0.00 H new ATOM 585 N LEU A 40 -2.550 -13.216 0.888 1.00 0.00 N ATOM 586 CA LEU A 40 -1.516 -12.386 0.282 1.00 0.00 C ATOM 587 C LEU A 40 -1.455 -11.015 0.950 1.00 0.00 C ATOM 588 O LEU A 40 -2.458 -10.518 1.461 1.00 0.00 O ATOM 589 CB LEU A 40 -1.765 -12.225 -1.221 1.00 0.00 C ATOM 590 CG LEU A 40 -3.192 -11.831 -1.612 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.521 -10.439 -1.094 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.370 -11.898 -3.123 1.00 0.00 C ATOM 0 H LEU A 40 -3.503 -12.892 0.724 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.558 -12.886 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.079 -11.471 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.517 -13.164 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.883 -12.539 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.539 -10.175 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.435 -10.425 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.825 -9.718 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.390 -11.615 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.670 -11.213 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.177 -12.914 -3.467 1.00 0.00 H new ATOM 604 N PRO A 41 -0.270 -10.383 0.952 1.00 0.00 N ATOM 605 CA PRO A 41 -0.080 -9.062 1.559 1.00 0.00 C ATOM 606 C PRO A 41 -0.772 -7.961 0.768 1.00 0.00 C ATOM 607 O PRO A 41 -1.318 -8.204 -0.310 1.00 0.00 O ATOM 608 CB PRO A 41 1.438 -8.871 1.524 1.00 0.00 C ATOM 609 CG PRO A 41 1.902 -9.724 0.395 1.00 0.00 C ATOM 610 CD PRO A 41 0.975 -10.907 0.361 1.00 0.00 C ATOM 0 HA PRO A 41 -0.507 -9.007 2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.702 -7.825 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.897 -9.175 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.870 -9.176 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.934 -10.041 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.817 -11.265 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.371 -11.744 0.935 1.00 0.00 H new ATOM 618 N LEU A 42 -0.758 -6.748 1.310 1.00 0.00 N ATOM 619 CA LEU A 42 -1.390 -5.623 0.646 1.00 0.00 C ATOM 620 C LEU A 42 -0.390 -4.504 0.377 1.00 0.00 C ATOM 621 O LEU A 42 0.723 -4.498 0.906 1.00 0.00 O ATOM 622 CB LEU A 42 -2.562 -5.095 1.480 1.00 0.00 C ATOM 623 CG LEU A 42 -2.649 -5.623 2.915 1.00 0.00 C ATOM 624 CD1 LEU A 42 -3.395 -4.635 3.800 1.00 0.00 C ATOM 625 CD2 LEU A 42 -3.334 -6.981 2.934 1.00 0.00 C ATOM 0 H LEU A 42 -0.318 -6.523 2.202 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.769 -5.975 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.497 -4.008 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.490 -5.342 0.965 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.639 -5.739 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.448 -5.025 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.868 -3.681 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.404 -4.490 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.390 -7.346 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.341 -6.886 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.763 -7.685 2.329 1.00 0.00 H new ATOM 637 N MET A 43 -0.805 -3.563 -0.459 1.00 0.00 N ATOM 638 CA MET A 43 0.027 -2.426 -0.825 1.00 0.00 C ATOM 639 C MET A 43 -0.743 -1.125 -0.593 1.00 0.00 C ATOM 640 O MET A 43 -1.446 -0.641 -1.479 1.00 0.00 O ATOM 641 CB MET A 43 0.456 -2.560 -2.290 1.00 0.00 C ATOM 642 CG MET A 43 1.075 -1.304 -2.888 1.00 0.00 C ATOM 643 SD MET A 43 2.874 -1.324 -2.815 1.00 0.00 S ATOM 644 CE MET A 43 3.133 -0.980 -1.080 1.00 0.00 C ATOM 0 H MET A 43 -1.724 -3.566 -0.901 1.00 0.00 H new ATOM 0 HA MET A 43 0.922 -2.406 -0.203 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.173 -3.377 -2.371 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.413 -2.839 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.757 -1.204 -3.926 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.702 -0.429 -2.355 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.039 -0.387 -0.958 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.281 -0.425 -0.688 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.237 -1.918 -0.535 1.00 0.00 H new ATOM 654 N VAL A 44 -0.620 -0.581 0.615 1.00 0.00 N ATOM 655 CA VAL A 44 -1.320 0.648 0.981 1.00 0.00 C ATOM 656 C VAL A 44 -0.873 1.840 0.147 1.00 0.00 C ATOM 657 O VAL A 44 0.103 2.510 0.478 1.00 0.00 O ATOM 658 CB VAL A 44 -1.134 0.987 2.474 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.778 2.325 2.814 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.716 -0.116 3.341 1.00 0.00 C ATOM 0 H VAL A 44 -0.041 -0.972 1.358 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.374 0.457 0.781 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.065 1.065 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.632 2.540 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.318 3.112 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.845 2.281 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.578 0.136 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.780 -0.221 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.208 -1.056 3.124 1.00 0.00 H new ATOM 670 N ILE A 45 -1.622 2.120 -0.908 1.00 0.00 N ATOM 671 CA ILE A 45 -1.333 3.257 -1.769 1.00 0.00 C ATOM 672 C ILE A 45 -2.214 4.429 -1.361 1.00 0.00 C ATOM 673 O ILE A 45 -3.430 4.369 -1.501 1.00 0.00 O ATOM 674 CB ILE A 45 -1.577 2.940 -3.263 1.00 0.00 C ATOM 675 CG1 ILE A 45 -1.627 1.429 -3.505 1.00 0.00 C ATOM 676 CG2 ILE A 45 -0.493 3.575 -4.119 1.00 0.00 C ATOM 677 CD1 ILE A 45 -1.784 1.057 -4.964 1.00 0.00 C ATOM 0 H ILE A 45 -2.437 1.574 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.277 3.501 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.543 3.360 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.714 0.977 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.456 1.005 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.676 3.344 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.504 4.656 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.480 3.181 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.812 -0.028 -5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.712 1.480 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.942 1.451 -5.533 1.00 0.00 H new ATOM 689 N ILE A 46 -1.618 5.487 -0.831 1.00 0.00 N ATOM 690 CA ILE A 46 -2.403 6.632 -0.396 1.00 0.00 C ATOM 691 C ILE A 46 -1.988 7.896 -1.129 1.00 0.00 C ATOM 692 O ILE A 46 -0.817 8.076 -1.462 1.00 0.00 O ATOM 693 CB ILE A 46 -2.286 6.858 1.123 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.231 5.519 1.864 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.460 7.688 1.617 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.295 5.524 3.052 1.00 0.00 C ATOM 0 H ILE A 46 -0.611 5.577 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.442 6.408 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.361 7.399 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.234 5.259 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.918 4.741 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.369 7.843 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.462 8.653 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.392 7.164 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.307 4.544 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.283 5.753 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.620 6.279 3.768 1.00 0.00 H new ATOM 708 N HIS A 47 -2.955 8.770 -1.383 1.00 0.00 N ATOM 709 CA HIS A 47 -2.676 10.019 -2.085 1.00 0.00 C ATOM 710 C HIS A 47 -3.355 11.197 -1.402 1.00 0.00 C ATOM 711 O HIS A 47 -4.521 11.492 -1.663 1.00 0.00 O ATOM 712 CB HIS A 47 -3.122 9.926 -3.546 1.00 0.00 C ATOM 713 CG HIS A 47 -4.569 9.578 -3.717 1.00 0.00 C ATOM 714 ND1 HIS A 47 -5.311 8.575 -3.189 1.00 0.00 N flip ATOM 715 CD2 HIS A 47 -5.425 10.296 -4.528 1.00 0.00 C flip ATOM 716 CE1 HIS A 47 -6.585 8.706 -3.685 1.00 0.00 C flip ATOM 717 NE2 HIS A 47 -6.626 9.751 -4.489 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.931 8.640 -1.117 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.599 10.184 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.927 10.880 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.515 9.176 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.154 11.168 -5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -7.418 8.059 -3.454 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.447 10.082 -4.995 1.00 0.00 H new ATOM 726 N LYS A 48 -2.617 11.870 -0.522 1.00 0.00 N ATOM 727 CA LYS A 48 -3.159 13.020 0.199 1.00 0.00 C ATOM 728 C LYS A 48 -2.454 14.315 -0.198 1.00 0.00 C ATOM 729 O LYS A 48 -1.296 14.303 -0.617 1.00 0.00 O ATOM 730 CB LYS A 48 -3.038 12.802 1.709 1.00 0.00 C ATOM 731 CG LYS A 48 -4.379 12.716 2.423 1.00 0.00 C ATOM 732 CD LYS A 48 -4.847 11.273 2.568 1.00 0.00 C ATOM 733 CE LYS A 48 -4.868 10.830 4.025 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.185 10.260 4.419 1.00 0.00 N ATOM 0 H LYS A 48 -1.650 11.642 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.211 13.114 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.480 11.884 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.458 13.618 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.297 13.173 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.124 13.287 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.845 11.170 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.188 10.618 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.088 10.086 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.636 11.681 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.036 9.425 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.728 10.973 4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.712 9.983 3.567 1.00 0.00 H new ATOM 748 N SER A 49 -3.165 15.432 -0.057 1.00 0.00 N ATOM 749 CA SER A 49 -2.620 16.746 -0.391 1.00 0.00 C ATOM 750 C SER A 49 -2.111 16.787 -1.829 1.00 0.00 C ATOM 751 O SER A 49 -2.312 15.847 -2.597 1.00 0.00 O ATOM 752 CB SER A 49 -1.489 17.110 0.572 1.00 0.00 C ATOM 753 OG SER A 49 -1.036 18.434 0.349 1.00 0.00 O ATOM 0 H SER A 49 -4.125 15.453 0.288 1.00 0.00 H new ATOM 0 HA SER A 49 -3.425 17.475 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.836 17.009 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.661 16.413 0.446 1.00 0.00 H new ATOM 0 HG SER A 49 -1.770 19.063 0.511 1.00 0.00 H new ATOM 759 N TRP A 50 -1.450 17.887 -2.184 1.00 0.00 N ATOM 760 CA TRP A 50 -0.907 18.056 -3.527 1.00 0.00 C ATOM 761 C TRP A 50 0.228 17.068 -3.775 1.00 0.00 C ATOM 762 O TRP A 50 1.399 17.444 -3.816 1.00 0.00 O ATOM 763 CB TRP A 50 -0.407 19.490 -3.724 1.00 0.00 C ATOM 764 CG TRP A 50 0.503 19.960 -2.630 1.00 0.00 C ATOM 765 CD1 TRP A 50 1.862 19.835 -2.584 1.00 0.00 C ATOM 766 CD2 TRP A 50 0.120 20.629 -1.422 1.00 0.00 C ATOM 767 NE1 TRP A 50 2.347 20.386 -1.422 1.00 0.00 N ATOM 768 CE2 TRP A 50 1.298 20.880 -0.693 1.00 0.00 C ATOM 769 CE3 TRP A 50 -1.105 21.042 -0.888 1.00 0.00 C ATOM 770 CZ2 TRP A 50 1.286 21.524 0.542 1.00 0.00 C ATOM 771 CZ3 TRP A 50 -1.114 21.681 0.338 1.00 0.00 C ATOM 772 CH2 TRP A 50 0.074 21.916 1.040 1.00 0.00 C ATOM 0 H TRP A 50 -1.278 18.674 -1.559 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.703 17.859 -4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.119 19.556 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -1.264 20.160 -3.786 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.467 19.371 -3.349 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.329 20.421 -1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.026 20.865 -1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.201 21.707 1.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.054 22.004 0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.033 22.418 1.996 1.00 0.00 H new ATOM 783 N CYS A 51 -0.131 15.801 -3.932 1.00 0.00 N ATOM 784 CA CYS A 51 0.853 14.749 -4.166 1.00 0.00 C ATOM 785 C CYS A 51 1.276 14.695 -5.631 1.00 0.00 C ATOM 786 O CYS A 51 0.667 15.332 -6.490 1.00 0.00 O ATOM 787 CB CYS A 51 0.289 13.383 -3.749 1.00 0.00 C ATOM 788 SG CYS A 51 -1.448 13.081 -4.240 1.00 0.00 S ATOM 0 H CYS A 51 -1.097 15.475 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 51 1.729 14.983 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.914 12.601 -4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.366 13.290 -2.666 1.00 0.00 H new ATOM 793 N GLY A 52 2.309 13.905 -5.909 1.00 0.00 N ATOM 794 CA GLY A 52 2.781 13.746 -7.272 1.00 0.00 C ATOM 795 C GLY A 52 2.417 12.383 -7.807 1.00 0.00 C ATOM 796 O GLY A 52 2.083 12.234 -8.982 1.00 0.00 O ATOM 0 H GLY A 52 2.828 13.371 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.346 14.519 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.862 13.878 -7.305 1.00 0.00 H new ATOM 800 N ALA A 53 2.454 11.388 -6.924 1.00 0.00 N ATOM 801 CA ALA A 53 2.094 10.030 -7.296 1.00 0.00 C ATOM 802 C ALA A 53 0.665 9.986 -7.788 1.00 0.00 C ATOM 803 O ALA A 53 0.261 9.043 -8.467 1.00 0.00 O ATOM 804 CB ALA A 53 2.292 9.080 -6.125 1.00 0.00 C ATOM 0 H ALA A 53 2.730 11.500 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 53 2.749 9.706 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.016 8.069 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.338 9.095 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.664 9.394 -5.291 1.00 0.00 H new ATOM 810 N CYS A 54 -0.092 11.023 -7.462 1.00 0.00 N ATOM 811 CA CYS A 54 -1.464 11.102 -7.898 1.00 0.00 C ATOM 812 C CYS A 54 -1.527 11.689 -9.302 1.00 0.00 C ATOM 813 O CYS A 54 -2.233 11.178 -10.179 1.00 0.00 O ATOM 814 CB CYS A 54 -2.315 11.926 -6.921 1.00 0.00 C ATOM 815 SG CYS A 54 -1.484 13.405 -6.246 1.00 0.00 S ATOM 0 H CYS A 54 0.225 11.813 -6.900 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.878 10.094 -7.918 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.227 12.239 -7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.616 11.285 -6.092 1.00 0.00 H new ATOM 820 N LYS A 55 -0.755 12.744 -9.517 1.00 0.00 N ATOM 821 CA LYS A 55 -0.698 13.384 -10.818 1.00 0.00 C ATOM 822 C LYS A 55 -0.021 12.460 -11.820 1.00 0.00 C ATOM 823 O LYS A 55 -0.371 12.444 -13.000 1.00 0.00 O ATOM 824 CB LYS A 55 0.055 14.711 -10.729 1.00 0.00 C ATOM 825 CG LYS A 55 -0.766 15.828 -10.104 1.00 0.00 C ATOM 826 CD LYS A 55 0.102 17.026 -9.754 1.00 0.00 C ATOM 827 CE LYS A 55 0.462 17.836 -10.988 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.327 19.095 -11.076 1.00 0.00 N ATOM 0 H LYS A 55 -0.161 13.173 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.715 13.588 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.964 14.567 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.364 15.013 -11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.551 16.135 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.260 15.459 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.424 17.662 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.014 16.685 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.525 18.075 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.287 17.235 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.051 19.618 -11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.341 18.867 -11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.141 19.681 -10.237 1.00 0.00 H new ATOM 842 N ALA A 56 0.951 11.683 -11.343 1.00 0.00 N ATOM 843 CA ALA A 56 1.669 10.756 -12.199 1.00 0.00 C ATOM 844 C ALA A 56 0.859 9.489 -12.466 1.00 0.00 C ATOM 845 O ALA A 56 0.725 9.066 -13.611 1.00 0.00 O ATOM 846 CB ALA A 56 3.012 10.407 -11.574 1.00 0.00 C ATOM 0 H ALA A 56 1.255 11.681 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 56 1.835 11.245 -13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.545 9.711 -12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.603 11.315 -11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.851 9.945 -10.600 1.00 0.00 H new ATOM 852 N LEU A 57 0.335 8.876 -11.408 1.00 0.00 N ATOM 853 CA LEU A 57 -0.436 7.640 -11.547 1.00 0.00 C ATOM 854 C LEU A 57 -1.496 7.718 -12.646 1.00 0.00 C ATOM 855 O LEU A 57 -1.770 6.725 -13.315 1.00 0.00 O ATOM 856 CB LEU A 57 -1.095 7.243 -10.215 1.00 0.00 C ATOM 857 CG LEU A 57 -2.066 8.265 -9.610 1.00 0.00 C ATOM 858 CD1 LEU A 57 -3.348 8.355 -10.422 1.00 0.00 C ATOM 859 CD2 LEU A 57 -2.387 7.899 -8.167 1.00 0.00 C ATOM 0 H LEU A 57 0.428 9.211 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 57 0.281 6.872 -11.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.632 6.306 -10.364 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.307 7.046 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.581 9.241 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.016 9.087 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.112 8.661 -11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.837 7.381 -10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.077 8.633 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.846 6.911 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.468 7.891 -7.581 1.00 0.00 H new ATOM 871 N LYS A 58 -2.118 8.879 -12.816 1.00 0.00 N ATOM 872 CA LYS A 58 -3.171 9.023 -13.822 1.00 0.00 C ATOM 873 C LYS A 58 -2.787 8.399 -15.177 1.00 0.00 C ATOM 874 O LYS A 58 -3.326 7.356 -15.552 1.00 0.00 O ATOM 875 CB LYS A 58 -3.563 10.497 -13.995 1.00 0.00 C ATOM 876 CG LYS A 58 -4.980 10.809 -13.539 1.00 0.00 C ATOM 877 CD LYS A 58 -5.204 10.424 -12.085 1.00 0.00 C ATOM 878 CE LYS A 58 -6.608 10.781 -11.623 1.00 0.00 C ATOM 879 NZ LYS A 58 -6.620 12.006 -10.777 1.00 0.00 N ATOM 0 H LYS A 58 -1.918 9.724 -12.281 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.035 8.470 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.865 11.118 -13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.460 10.771 -15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.177 11.873 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.691 10.275 -14.170 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.041 9.353 -11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.473 10.932 -11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.248 10.934 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.028 9.947 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.595 12.215 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.030 11.852 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.243 12.808 -11.322 1.00 0.00 H new ATOM 893 N PRO A 59 -1.871 9.029 -15.944 1.00 0.00 N ATOM 894 CA PRO A 59 -1.468 8.529 -17.272 1.00 0.00 C ATOM 895 C PRO A 59 -0.560 7.299 -17.251 1.00 0.00 C ATOM 896 O PRO A 59 -0.503 6.558 -18.234 1.00 0.00 O ATOM 897 CB PRO A 59 -0.713 9.713 -17.867 1.00 0.00 C ATOM 898 CG PRO A 59 -0.142 10.412 -16.687 1.00 0.00 C ATOM 899 CD PRO A 59 -1.177 10.289 -15.605 1.00 0.00 C ATOM 0 HA PRO A 59 -2.341 8.196 -17.833 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.069 9.383 -18.551 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.378 10.365 -18.433 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.801 9.959 -16.381 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.066 11.458 -16.914 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.722 10.245 -14.616 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.861 11.138 -15.603 1.00 0.00 H new ATOM 907 N LYS A 60 0.164 7.080 -16.159 1.00 0.00 N ATOM 908 CA LYS A 60 1.070 5.936 -16.085 1.00 0.00 C ATOM 909 C LYS A 60 0.469 4.787 -15.297 1.00 0.00 C ATOM 910 O LYS A 60 0.465 3.652 -15.767 1.00 0.00 O ATOM 911 CB LYS A 60 2.398 6.331 -15.461 1.00 0.00 C ATOM 912 CG LYS A 60 2.245 6.821 -14.043 1.00 0.00 C ATOM 913 CD LYS A 60 3.276 7.888 -13.714 1.00 0.00 C ATOM 914 CE LYS A 60 3.173 9.082 -14.654 1.00 0.00 C ATOM 915 NZ LYS A 60 4.356 9.183 -15.555 1.00 0.00 N ATOM 0 H LYS A 60 0.144 7.667 -15.325 1.00 0.00 H new ATOM 0 HA LYS A 60 1.236 5.603 -17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.072 5.474 -15.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.862 7.112 -16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.243 7.225 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.352 5.984 -13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.138 8.222 -12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.276 7.459 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.267 8.995 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.082 9.998 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.087 9.681 -16.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.114 9.710 -15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.694 8.229 -15.792 1.00 0.00 H new ATOM 929 N PHE A 61 -0.055 5.063 -14.107 1.00 0.00 N ATOM 930 CA PHE A 61 -0.658 4.009 -13.322 1.00 0.00 C ATOM 931 C PHE A 61 -1.853 3.464 -14.081 1.00 0.00 C ATOM 932 O PHE A 61 -2.237 2.310 -13.910 1.00 0.00 O ATOM 933 CB PHE A 61 -1.043 4.491 -11.929 1.00 0.00 C ATOM 934 CG PHE A 61 -1.292 3.361 -10.972 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.495 2.678 -10.990 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.323 2.981 -10.058 1.00 0.00 C ATOM 937 CE1 PHE A 61 -2.729 1.635 -10.114 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.551 1.940 -9.179 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.755 1.266 -9.207 1.00 0.00 C ATOM 0 H PHE A 61 -0.072 5.988 -13.678 1.00 0.00 H new ATOM 0 HA PHE A 61 0.068 3.210 -13.172 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.249 5.126 -11.536 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.939 5.108 -11.997 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.260 2.963 -11.697 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.621 3.504 -10.032 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.672 1.109 -10.139 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.212 1.654 -8.471 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.935 0.452 -8.521 1.00 0.00 H new ATOM 949 N ALA A 62 -2.393 4.281 -14.991 1.00 0.00 N ATOM 950 CA ALA A 62 -3.481 3.836 -15.838 1.00 0.00 C ATOM 951 C ALA A 62 -2.980 2.662 -16.684 1.00 0.00 C ATOM 952 O ALA A 62 -3.758 1.859 -17.203 1.00 0.00 O ATOM 953 CB ALA A 62 -3.968 4.981 -16.715 1.00 0.00 C ATOM 0 H ALA A 62 -2.092 5.242 -15.152 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.326 3.510 -15.232 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.786 4.633 -17.347 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.319 5.798 -16.085 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.149 5.332 -17.343 1.00 0.00 H new ATOM 959 N GLU A 63 -1.649 2.574 -16.770 1.00 0.00 N ATOM 960 CA GLU A 63 -0.946 1.519 -17.490 1.00 0.00 C ATOM 961 C GLU A 63 -0.863 0.275 -16.629 1.00 0.00 C ATOM 962 O GLU A 63 -0.553 -0.814 -17.111 1.00 0.00 O ATOM 963 CB GLU A 63 0.456 2.003 -17.870 1.00 0.00 C ATOM 964 CG GLU A 63 1.114 1.176 -18.964 1.00 0.00 C ATOM 965 CD GLU A 63 0.790 1.687 -20.354 1.00 0.00 C ATOM 966 OE1 GLU A 63 1.389 2.703 -20.767 1.00 0.00 O ATOM 967 OE2 GLU A 63 -0.061 1.073 -21.030 1.00 0.00 O ATOM 0 H GLU A 63 -1.023 3.249 -16.331 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.492 1.274 -18.401 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.396 3.041 -18.198 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.089 1.985 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.194 1.184 -18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.788 0.139 -18.877 1.00 0.00 H new ATOM 974 N SER A 64 -1.157 0.448 -15.349 1.00 0.00 N ATOM 975 CA SER A 64 -1.139 -0.644 -14.406 1.00 0.00 C ATOM 976 C SER A 64 -2.085 -1.766 -14.826 1.00 0.00 C ATOM 977 O SER A 64 -2.179 -2.781 -14.139 1.00 0.00 O ATOM 978 CB SER A 64 -1.528 -0.131 -13.030 1.00 0.00 C ATOM 979 OG SER A 64 -0.601 0.833 -12.558 1.00 0.00 O ATOM 0 H SER A 64 -1.413 1.348 -14.943 1.00 0.00 H new ATOM 0 HA SER A 64 -0.129 -1.053 -14.380 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.524 0.309 -13.072 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.577 -0.965 -12.329 1.00 0.00 H new ATOM 0 HG SER A 64 -1.083 1.558 -12.108 1.00 0.00 H new ATOM 985 N THR A 65 -2.777 -1.595 -15.956 1.00 0.00 N ATOM 986 CA THR A 65 -3.683 -2.622 -16.447 1.00 0.00 C ATOM 987 C THR A 65 -3.003 -3.979 -16.359 1.00 0.00 C ATOM 988 O THR A 65 -3.636 -4.990 -16.061 1.00 0.00 O ATOM 989 CB THR A 65 -4.089 -2.328 -17.891 1.00 0.00 C ATOM 990 OG1 THR A 65 -4.091 -0.934 -18.138 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.461 -2.857 -18.246 1.00 0.00 C ATOM 0 H THR A 65 -2.724 -0.760 -16.540 1.00 0.00 H new ATOM 0 HA THR A 65 -4.583 -2.628 -15.832 1.00 0.00 H new ATOM 0 HB THR A 65 -3.349 -2.838 -18.508 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.352 -0.767 -19.068 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.687 -2.614 -19.284 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.479 -3.939 -18.114 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.207 -2.399 -17.596 1.00 0.00 H new ATOM 999 N GLU A 66 -1.691 -3.979 -16.585 1.00 0.00 N ATOM 1000 CA GLU A 66 -0.915 -5.201 -16.495 1.00 0.00 C ATOM 1001 C GLU A 66 -0.642 -5.522 -15.047 1.00 0.00 C ATOM 1002 O GLU A 66 -0.636 -6.690 -14.662 1.00 0.00 O ATOM 1003 CB GLU A 66 0.405 -5.091 -17.259 1.00 0.00 C ATOM 1004 CG GLU A 66 0.529 -6.095 -18.390 1.00 0.00 C ATOM 1005 CD GLU A 66 1.931 -6.159 -18.964 1.00 0.00 C ATOM 1006 OE1 GLU A 66 2.255 -5.322 -19.833 1.00 0.00 O ATOM 1007 OE2 GLU A 66 2.706 -7.043 -18.543 1.00 0.00 O ATOM 0 H GLU A 66 -1.151 -3.149 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.497 -6.003 -16.950 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.499 -4.084 -17.665 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.232 -5.233 -16.564 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.244 -7.082 -18.027 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.172 -5.832 -19.182 1.00 0.00 H new ATOM 1014 N ILE A 67 -0.451 -4.491 -14.222 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.221 -4.760 -12.812 1.00 0.00 C ATOM 1016 C ILE A 67 -1.508 -5.290 -12.190 1.00 0.00 C ATOM 1017 O ILE A 67 -1.494 -5.866 -11.102 1.00 0.00 O ATOM 1018 CB ILE A 67 0.344 -3.561 -11.993 1.00 0.00 C ATOM 1019 CG1 ILE A 67 -0.747 -2.880 -11.160 1.00 0.00 C ATOM 1020 CG2 ILE A 67 1.054 -2.551 -12.886 1.00 0.00 C ATOM 1021 CD1 ILE A 67 -0.265 -1.640 -10.430 1.00 0.00 C ATOM 0 H ILE A 67 -0.451 -3.508 -14.493 1.00 0.00 H new ATOM 0 HA ILE A 67 0.569 -5.510 -12.767 1.00 0.00 H new ATOM 0 HB ILE A 67 1.082 -3.971 -11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.576 -2.608 -11.814 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.136 -3.592 -10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.433 -1.730 -12.277 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.885 -3.038 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.353 -2.161 -13.624 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.089 -1.210 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.544 -1.909 -9.751 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.097 -0.909 -11.154 1.00 0.00 H new ATOM 1033 N SER A 68 -2.624 -5.126 -12.911 1.00 0.00 N ATOM 1034 CA SER A 68 -3.905 -5.629 -12.446 1.00 0.00 C ATOM 1035 C SER A 68 -3.834 -7.144 -12.390 1.00 0.00 C ATOM 1036 O SER A 68 -4.315 -7.773 -11.447 1.00 0.00 O ATOM 1037 CB SER A 68 -5.034 -5.188 -13.376 1.00 0.00 C ATOM 1038 OG SER A 68 -6.289 -5.640 -12.900 1.00 0.00 O ATOM 0 H SER A 68 -2.658 -4.650 -13.813 1.00 0.00 H new ATOM 0 HA SER A 68 -4.116 -5.226 -11.456 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.041 -4.101 -13.455 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.859 -5.579 -14.378 1.00 0.00 H new ATOM 0 HG SER A 68 -6.507 -5.179 -12.063 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.189 -7.719 -13.402 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.002 -9.157 -13.465 1.00 0.00 C ATOM 1046 C GLU A 69 -1.974 -9.558 -12.421 1.00 0.00 C ATOM 1047 O GLU A 69 -2.109 -10.580 -11.749 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.540 -9.585 -14.859 1.00 0.00 C ATOM 1049 CG GLU A 69 -3.410 -9.040 -15.981 1.00 0.00 C ATOM 1050 CD GLU A 69 -4.707 -9.809 -16.137 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -5.662 -9.522 -15.386 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -4.768 -10.700 -17.011 1.00 0.00 O ATOM 0 H GLU A 69 -2.789 -7.206 -14.188 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.950 -9.656 -13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.514 -9.251 -15.011 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.532 -10.674 -14.912 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.635 -7.991 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.854 -9.078 -16.918 1.00 0.00 H new ATOM 1059 N LEU A 70 -0.958 -8.712 -12.271 1.00 0.00 N ATOM 1060 CA LEU A 70 0.089 -8.937 -11.285 1.00 0.00 C ATOM 1061 C LEU A 70 -0.493 -8.811 -9.880 1.00 0.00 C ATOM 1062 O LEU A 70 0.106 -9.261 -8.904 1.00 0.00 O ATOM 1063 CB LEU A 70 1.223 -7.925 -11.466 1.00 0.00 C ATOM 1064 CG LEU A 70 2.254 -8.276 -12.543 1.00 0.00 C ATOM 1065 CD1 LEU A 70 1.570 -8.553 -13.873 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.272 -7.154 -12.686 1.00 0.00 C ATOM 0 H LEU A 70 -0.840 -7.862 -12.823 1.00 0.00 H new ATOM 0 HA LEU A 70 0.491 -9.941 -11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.787 -6.956 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.742 -7.813 -10.514 1.00 0.00 H new ATOM 0 HG LEU A 70 2.778 -9.181 -12.237 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.321 -8.800 -14.624 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.880 -9.390 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.018 -7.668 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.998 -7.418 -13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.762 -6.233 -12.969 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.786 -7.006 -11.736 1.00 0.00 H new ATOM 1078 N SER A 71 -1.670 -8.196 -9.789 1.00 0.00 N ATOM 1079 CA SER A 71 -2.343 -8.010 -8.512 1.00 0.00 C ATOM 1080 C SER A 71 -2.822 -9.339 -7.943 1.00 0.00 C ATOM 1081 O SER A 71 -3.123 -9.444 -6.756 1.00 0.00 O ATOM 1082 CB SER A 71 -3.534 -7.077 -8.674 1.00 0.00 C ATOM 1083 OG SER A 71 -3.482 -6.011 -7.743 1.00 0.00 O ATOM 0 H SER A 71 -2.177 -7.818 -10.589 1.00 0.00 H new ATOM 0 HA SER A 71 -1.624 -7.571 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.550 -6.677 -9.688 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.459 -7.637 -8.538 1.00 0.00 H new ATOM 0 HG SER A 71 -3.156 -6.345 -6.881 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.876 -10.366 -8.788 1.00 0.00 N ATOM 1090 CA HIS A 72 -3.301 -11.685 -8.339 1.00 0.00 C ATOM 1091 C HIS A 72 -2.386 -12.157 -7.216 1.00 0.00 C ATOM 1092 O HIS A 72 -2.696 -13.106 -6.494 1.00 0.00 O ATOM 1093 CB HIS A 72 -3.273 -12.681 -9.501 1.00 0.00 C ATOM 1094 CG HIS A 72 -4.609 -13.295 -9.790 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -5.147 -14.314 -9.033 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -5.515 -13.029 -10.760 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -6.327 -14.649 -9.526 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -6.573 -13.883 -10.574 1.00 0.00 N ATOM 0 H HIS A 72 -2.633 -10.310 -9.777 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.324 -11.623 -7.968 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.913 -12.174 -10.396 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.559 -13.473 -9.274 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.422 -12.283 -11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.979 -15.418 -9.138 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.413 -13.920 -11.151 1.00 0.00 H new ATOM 1107 N ASN A 73 -1.254 -11.475 -7.085 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.270 -11.788 -6.070 1.00 0.00 C ATOM 1109 C ASN A 73 -0.598 -11.086 -4.749 1.00 0.00 C ATOM 1110 O ASN A 73 -0.350 -11.624 -3.671 1.00 0.00 O ATOM 1111 CB ASN A 73 1.105 -11.366 -6.579 1.00 0.00 C ATOM 1112 CG ASN A 73 1.510 -12.136 -7.823 1.00 0.00 C ATOM 1113 OD1 ASN A 73 1.189 -11.592 -8.996 1.00 0.00 O flip ATOM 1114 ND2 ASN A 73 2.107 -13.209 -7.733 1.00 0.00 N flip ATOM 0 H ASN A 73 -0.998 -10.690 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.278 -12.861 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.098 -10.298 -6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.846 -11.526 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.334 -13.591 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.375 -13.716 -8.577 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.169 -9.887 -4.846 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.546 -9.107 -3.672 1.00 0.00 C ATOM 1123 C PHE A 74 -2.553 -8.017 -4.046 1.00 0.00 C ATOM 1124 O PHE A 74 -2.719 -7.693 -5.220 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.311 -8.488 -3.024 1.00 0.00 C ATOM 1126 CG PHE A 74 0.614 -7.816 -3.995 1.00 0.00 C ATOM 1127 CD1 PHE A 74 0.231 -6.659 -4.652 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.868 -8.344 -4.249 1.00 0.00 C ATOM 1129 CE1 PHE A 74 1.083 -6.041 -5.547 1.00 0.00 C ATOM 1130 CE2 PHE A 74 2.725 -7.731 -5.140 1.00 0.00 C ATOM 1131 CZ PHE A 74 2.333 -6.579 -5.791 1.00 0.00 C ATOM 0 H PHE A 74 -1.382 -9.433 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.017 -9.778 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.631 -7.760 -2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.238 -9.267 -2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.744 -6.235 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.179 -9.246 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.773 -5.140 -6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.702 -8.152 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.002 -6.099 -6.490 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.226 -7.459 -3.045 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.222 -6.414 -3.286 1.00 0.00 C ATOM 1143 C VAL A 75 -3.765 -5.082 -2.701 1.00 0.00 C ATOM 1144 O VAL A 75 -3.162 -5.053 -1.629 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.597 -6.803 -2.682 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.892 -8.278 -2.912 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -5.664 -6.475 -1.195 1.00 0.00 C ATOM 0 H VAL A 75 -3.103 -7.709 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.330 -6.309 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.358 -6.212 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.861 -8.527 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.909 -8.483 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.118 -8.882 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.640 -6.760 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.886 -7.025 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.514 -5.405 -1.051 1.00 0.00 H new ATOM 1157 N MET A 76 -4.052 -3.971 -3.387 1.00 0.00 N ATOM 1158 CA MET A 76 -3.644 -2.672 -2.864 1.00 0.00 C ATOM 1159 C MET A 76 -4.722 -2.062 -1.945 1.00 0.00 C ATOM 1160 O MET A 76 -5.843 -2.590 -1.790 1.00 0.00 O ATOM 1161 CB MET A 76 -3.308 -1.715 -4.015 1.00 0.00 C ATOM 1162 CG MET A 76 -1.925 -1.917 -4.618 1.00 0.00 C ATOM 1163 SD MET A 76 -1.594 -3.635 -5.059 1.00 0.00 S ATOM 1164 CE MET A 76 -0.924 -3.437 -6.709 1.00 0.00 C ATOM 0 H MET A 76 -4.549 -3.946 -4.277 1.00 0.00 H new ATOM 0 HA MET A 76 -2.749 -2.824 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 76 -4.054 -1.835 -4.800 1.00 0.00 H new ATOM 0 HB3 MET A 76 -3.387 -0.690 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.827 -1.294 -5.507 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.171 -1.578 -3.907 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.000 -4.381 -7.248 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.486 -2.669 -7.240 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.123 -3.140 -6.643 1.00 0.00 H new ATOM 1174 N VAL A 77 -4.377 -0.946 -1.325 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.290 -0.258 -0.426 1.00 0.00 C ATOM 1176 C VAL A 77 -5.208 1.242 -0.651 1.00 0.00 C ATOM 1177 O VAL A 77 -4.520 1.956 0.079 1.00 0.00 O ATOM 1178 CB VAL A 77 -4.969 -0.588 1.046 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.882 0.168 1.999 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -5.072 -2.085 1.276 1.00 0.00 C ATOM 0 H VAL A 77 -3.468 -0.495 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.303 -0.600 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.948 -0.267 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.627 -0.089 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.755 1.240 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.919 -0.105 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.844 -2.310 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.083 -2.420 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.363 -2.602 0.630 1.00 0.00 H new ATOM 1190 N ASN A 78 -5.894 1.710 -1.686 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.873 3.122 -2.026 1.00 0.00 C ATOM 1192 C ASN A 78 -6.916 3.917 -1.256 1.00 0.00 C ATOM 1193 O ASN A 78 -8.103 3.881 -1.575 1.00 0.00 O ATOM 1194 CB ASN A 78 -6.076 3.318 -3.526 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.822 4.750 -3.953 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -6.578 5.316 -4.738 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -4.753 5.347 -3.431 1.00 0.00 N ATOM 0 H ASN A 78 -6.469 1.133 -2.301 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.891 3.500 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.407 2.653 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.094 3.035 -3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.535 6.312 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.151 4.840 -2.782 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.455 4.653 -0.252 1.00 0.00 N ATOM 1205 CA LEU A 79 -7.344 5.482 0.554 1.00 0.00 C ATOM 1206 C LEU A 79 -7.098 6.969 0.286 1.00 0.00 C ATOM 1207 O LEU A 79 -6.004 7.374 -0.131 1.00 0.00 O ATOM 1208 CB LEU A 79 -7.173 5.171 2.045 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.805 5.517 2.632 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -5.835 6.893 3.279 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -5.377 4.462 3.642 1.00 0.00 C ATOM 0 H LEU A 79 -5.474 4.693 0.023 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.370 5.249 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.937 5.713 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.359 4.108 2.201 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.076 5.534 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.853 7.123 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.098 7.641 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.576 6.903 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.401 4.724 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.107 4.414 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.316 3.491 3.150 1.00 0.00 H new ATOM 1223 N GLU A 80 -8.133 7.775 0.516 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.054 9.216 0.296 1.00 0.00 C ATOM 1225 C GLU A 80 -8.231 9.980 1.606 1.00 0.00 C ATOM 1226 O GLU A 80 -8.226 9.390 2.687 1.00 0.00 O ATOM 1227 CB GLU A 80 -9.123 9.652 -0.709 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.612 10.628 -1.757 1.00 0.00 C ATOM 1229 CD GLU A 80 -9.736 11.285 -2.535 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -10.437 12.142 -1.957 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.914 10.941 -3.723 1.00 0.00 O ATOM 0 H GLU A 80 -9.039 7.452 0.856 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.067 9.446 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.520 8.769 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.951 10.112 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.013 11.398 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.954 10.102 -2.449 1.00 0.00 H new ATOM 1238 N ASP A 81 -8.388 11.296 1.499 1.00 0.00 N ATOM 1239 CA ASP A 81 -8.568 12.148 2.671 1.00 0.00 C ATOM 1240 C ASP A 81 -9.744 11.675 3.523 1.00 0.00 C ATOM 1241 O ASP A 81 -9.800 11.952 4.722 1.00 0.00 O ATOM 1242 CB ASP A 81 -8.789 13.599 2.239 1.00 0.00 C ATOM 1243 CG ASP A 81 -9.849 13.727 1.163 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -11.006 13.329 1.417 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -9.522 14.224 0.065 1.00 0.00 O ATOM 0 H ASP A 81 -8.394 11.797 0.611 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.662 12.085 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.081 14.193 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.850 14.013 1.871 1.00 0.00 H new ATOM 1250 N GLU A 82 -10.678 10.962 2.901 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.849 10.453 3.612 1.00 0.00 C ATOM 1252 C GLU A 82 -11.433 9.644 4.837 1.00 0.00 C ATOM 1253 O GLU A 82 -12.140 9.615 5.844 1.00 0.00 O ATOM 1254 CB GLU A 82 -12.700 9.589 2.680 1.00 0.00 C ATOM 1255 CG GLU A 82 -13.433 10.386 1.613 1.00 0.00 C ATOM 1256 CD GLU A 82 -14.863 10.702 2.000 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -15.081 11.721 2.691 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -15.768 9.931 1.614 1.00 0.00 O ATOM 0 H GLU A 82 -10.648 10.724 1.910 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.440 11.306 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.059 8.852 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.428 9.037 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.897 11.317 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.429 9.824 0.679 1.00 0.00 H new ATOM 1265 N GLU A 83 -10.277 8.995 4.743 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.758 8.190 5.842 1.00 0.00 C ATOM 1267 C GLU A 83 -8.376 8.681 6.260 1.00 0.00 C ATOM 1268 O GLU A 83 -7.367 8.312 5.659 1.00 0.00 O ATOM 1269 CB GLU A 83 -9.692 6.715 5.435 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.845 5.885 5.972 1.00 0.00 C ATOM 1271 CD GLU A 83 -11.990 5.771 4.984 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -12.888 6.637 5.014 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -11.987 4.815 4.179 1.00 0.00 O ATOM 0 H GLU A 83 -9.681 9.011 3.915 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.434 8.291 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.682 6.647 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.753 6.290 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.484 4.887 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.210 6.332 6.896 1.00 0.00 H new ATOM 1280 N GLU A 84 -8.338 9.520 7.289 1.00 0.00 N ATOM 1281 CA GLU A 84 -7.080 10.068 7.784 1.00 0.00 C ATOM 1282 C GLU A 84 -6.624 9.343 9.047 1.00 0.00 C ATOM 1283 O GLU A 84 -7.001 9.718 10.157 1.00 0.00 O ATOM 1284 CB GLU A 84 -7.232 11.564 8.072 1.00 0.00 C ATOM 1285 CG GLU A 84 -7.720 12.366 6.876 1.00 0.00 C ATOM 1286 CD GLU A 84 -8.821 13.342 7.239 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -9.991 12.911 7.328 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -8.514 14.537 7.435 1.00 0.00 O ATOM 0 H GLU A 84 -9.164 9.836 7.797 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.324 9.924 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.930 11.698 8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.271 11.962 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.882 12.913 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.084 11.682 6.109 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.795 8.294 8.897 1.00 0.00 N ATOM 1296 CA PRO A 85 -5.285 7.528 10.039 1.00 0.00 C ATOM 1297 C PRO A 85 -4.351 8.356 10.913 1.00 0.00 C ATOM 1298 O PRO A 85 -4.278 9.576 10.777 1.00 0.00 O ATOM 1299 CB PRO A 85 -4.523 6.370 9.386 1.00 0.00 C ATOM 1300 CG PRO A 85 -4.164 6.869 8.029 1.00 0.00 C ATOM 1301 CD PRO A 85 -5.285 7.778 7.614 1.00 0.00 C ATOM 0 HA PRO A 85 -6.086 7.202 10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.634 6.108 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.140 5.473 9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.214 7.404 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.051 6.043 7.327 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.933 8.582 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.056 7.240 7.062 1.00 0.00 H new ATOM 1309 N LYS A 86 -3.638 7.686 11.814 1.00 0.00 N ATOM 1310 CA LYS A 86 -2.708 8.365 12.708 1.00 0.00 C ATOM 1311 C LYS A 86 -1.558 7.442 13.098 1.00 0.00 C ATOM 1312 O LYS A 86 -1.318 7.198 14.282 1.00 0.00 O ATOM 1313 CB LYS A 86 -3.440 8.851 13.961 1.00 0.00 C ATOM 1314 CG LYS A 86 -4.156 10.182 13.771 1.00 0.00 C ATOM 1315 CD LYS A 86 -5.661 10.046 13.957 1.00 0.00 C ATOM 1316 CE LYS A 86 -6.164 10.914 15.099 1.00 0.00 C ATOM 1317 NZ LYS A 86 -6.808 12.164 14.606 1.00 0.00 N ATOM 0 H LYS A 86 -3.687 6.675 11.944 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.294 9.225 12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.167 8.097 14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.723 8.947 14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.766 10.909 14.483 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.946 10.568 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.169 10.327 13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.911 9.004 14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.879 10.349 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.332 11.169 15.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.137 12.728 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.119 12.716 14.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.618 11.922 14.001 1.00 0.00 H new ATOM 1331 N ASP A 87 -0.850 6.929 12.098 1.00 0.00 N ATOM 1332 CA ASP A 87 0.274 6.032 12.342 1.00 0.00 C ATOM 1333 C ASP A 87 1.162 5.908 11.108 1.00 0.00 C ATOM 1334 O ASP A 87 1.035 6.674 10.154 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.236 4.652 12.763 1.00 0.00 C ATOM 1336 CG ASP A 87 0.589 4.048 13.882 1.00 0.00 C ATOM 1337 OD1 ASP A 87 1.829 3.986 13.740 1.00 0.00 O ATOM 1338 OD2 ASP A 87 -0.003 3.636 14.902 1.00 0.00 O ATOM 0 H ASP A 87 -1.034 7.118 11.113 1.00 0.00 H new ATOM 0 HA ASP A 87 0.874 6.455 13.148 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.274 4.734 13.084 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.220 3.984 11.902 1.00 0.00 H new ATOM 1343 N GLU A 88 2.063 4.931 11.140 1.00 0.00 N ATOM 1344 CA GLU A 88 2.984 4.690 10.033 1.00 0.00 C ATOM 1345 C GLU A 88 2.244 4.250 8.769 1.00 0.00 C ATOM 1346 O GLU A 88 2.812 4.247 7.677 1.00 0.00 O ATOM 1347 CB GLU A 88 4.005 3.623 10.429 1.00 0.00 C ATOM 1348 CG GLU A 88 4.660 3.876 11.777 1.00 0.00 C ATOM 1349 CD GLU A 88 5.255 5.267 11.885 1.00 0.00 C ATOM 1350 OE1 GLU A 88 4.478 6.244 11.897 1.00 0.00 O ATOM 1351 OE2 GLU A 88 6.497 5.377 11.959 1.00 0.00 O ATOM 0 H GLU A 88 2.176 4.290 11.925 1.00 0.00 H new ATOM 0 HA GLU A 88 3.495 5.628 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.512 2.651 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.779 3.571 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.922 3.738 12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.443 3.136 11.941 1.00 0.00 H new ATOM 1358 N ASP A 89 0.980 3.867 8.925 1.00 0.00 N ATOM 1359 CA ASP A 89 0.164 3.407 7.804 1.00 0.00 C ATOM 1360 C ASP A 89 0.157 4.395 6.632 1.00 0.00 C ATOM 1361 O ASP A 89 -0.256 4.038 5.529 1.00 0.00 O ATOM 1362 CB ASP A 89 -1.269 3.146 8.269 1.00 0.00 C ATOM 1363 CG ASP A 89 -1.401 1.840 9.029 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -1.097 0.776 8.445 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -1.809 1.880 10.209 1.00 0.00 O ATOM 0 H ASP A 89 0.496 3.866 9.823 1.00 0.00 H new ATOM 0 HA ASP A 89 0.614 2.482 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.597 3.968 8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.931 3.128 7.404 1.00 0.00 H new ATOM 1370 N PHE A 90 0.600 5.634 6.860 1.00 0.00 N ATOM 1371 CA PHE A 90 0.615 6.632 5.792 1.00 0.00 C ATOM 1372 C PHE A 90 2.036 7.103 5.472 1.00 0.00 C ATOM 1373 O PHE A 90 2.379 7.301 4.303 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.272 7.827 6.156 1.00 0.00 C ATOM 1375 CG PHE A 90 0.185 8.582 7.374 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.257 9.457 7.301 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -0.464 8.423 8.588 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.675 10.158 8.417 1.00 0.00 C ATOM 1379 CE2 PHE A 90 -0.051 9.123 9.707 1.00 0.00 C ATOM 1380 CZ PHE A 90 1.020 9.991 9.621 1.00 0.00 C ATOM 0 H PHE A 90 0.948 5.965 7.760 1.00 0.00 H new ATOM 0 HA PHE A 90 0.215 6.155 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.306 8.512 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.290 7.473 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.772 9.593 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.301 7.745 8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.513 10.836 8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.566 8.991 10.647 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.344 10.538 10.494 1.00 0.00 H new ATOM 1390 N SER A 91 2.856 7.280 6.506 1.00 0.00 N ATOM 1391 CA SER A 91 4.237 7.725 6.320 1.00 0.00 C ATOM 1392 C SER A 91 5.055 7.531 7.596 1.00 0.00 C ATOM 1393 O SER A 91 5.019 8.369 8.498 1.00 0.00 O ATOM 1394 CB SER A 91 4.277 9.197 5.901 1.00 0.00 C ATOM 1395 OG SER A 91 3.372 9.456 4.841 1.00 0.00 O ATOM 0 H SER A 91 2.590 7.123 7.478 1.00 0.00 H new ATOM 0 HA SER A 91 4.676 7.116 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.030 9.827 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.288 9.462 5.592 1.00 0.00 H new ATOM 0 HG SER A 91 3.350 8.687 4.234 1.00 0.00 H new ATOM 1401 N PRO A 92 5.807 6.419 7.691 1.00 0.00 N ATOM 1402 CA PRO A 92 6.636 6.115 8.859 1.00 0.00 C ATOM 1403 C PRO A 92 7.932 6.920 8.872 1.00 0.00 C ATOM 1404 O PRO A 92 8.107 7.824 9.689 1.00 0.00 O ATOM 1405 CB PRO A 92 6.943 4.614 8.716 1.00 0.00 C ATOM 1406 CG PRO A 92 6.181 4.147 7.513 1.00 0.00 C ATOM 1407 CD PRO A 92 5.915 5.367 6.680 1.00 0.00 C ATOM 0 HA PRO A 92 6.127 6.368 9.789 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.012 4.445 8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.637 4.067 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.756 3.411 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.248 3.666 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.723 5.562 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.000 5.269 6.096 1.00 0.00 H new ATOM 1415 N ASP A 93 8.842 6.582 7.961 1.00 0.00 N ATOM 1416 CA ASP A 93 10.124 7.270 7.867 1.00 0.00 C ATOM 1417 C ASP A 93 10.093 8.332 6.776 1.00 0.00 C ATOM 1418 O ASP A 93 11.099 8.588 6.114 1.00 0.00 O ATOM 1419 CB ASP A 93 11.243 6.265 7.583 1.00 0.00 C ATOM 1420 CG ASP A 93 12.595 6.758 8.060 1.00 0.00 C ATOM 1421 OD1 ASP A 93 12.944 6.496 9.230 1.00 0.00 O ATOM 1422 OD2 ASP A 93 13.306 7.408 7.264 1.00 0.00 O ATOM 0 H ASP A 93 8.714 5.835 7.278 1.00 0.00 H new ATOM 0 HA ASP A 93 10.316 7.761 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.011 5.319 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.288 6.068 6.512 1.00 0.00 H new ATOM 1427 N GLY A 94 8.931 8.950 6.592 1.00 0.00 N ATOM 1428 CA GLY A 94 8.790 9.977 5.580 1.00 0.00 C ATOM 1429 C GLY A 94 7.851 11.087 6.011 1.00 0.00 C ATOM 1430 O GLY A 94 6.898 10.850 6.750 1.00 0.00 O ATOM 0 H GLY A 94 8.084 8.757 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.769 10.400 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.419 9.527 4.659 1.00 0.00 H new ATOM 1434 N GLY A 95 8.124 12.301 5.547 1.00 0.00 N ATOM 1435 CA GLY A 95 7.289 13.433 5.901 1.00 0.00 C ATOM 1436 C GLY A 95 6.117 13.605 4.955 1.00 0.00 C ATOM 1437 O GLY A 95 5.082 14.152 5.334 1.00 0.00 O ATOM 0 H GLY A 95 8.908 12.521 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.916 13.302 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.892 14.341 5.897 1.00 0.00 H new ATOM 1441 N TYR A 96 6.281 13.141 3.718 1.00 0.00 N ATOM 1442 CA TYR A 96 5.226 13.249 2.711 1.00 0.00 C ATOM 1443 C TYR A 96 3.876 12.829 3.285 1.00 0.00 C ATOM 1444 O TYR A 96 3.813 12.151 4.312 1.00 0.00 O ATOM 1445 CB TYR A 96 5.559 12.414 1.471 1.00 0.00 C ATOM 1446 CG TYR A 96 6.234 11.087 1.764 1.00 0.00 C ATOM 1447 CD1 TYR A 96 7.606 11.012 1.969 1.00 0.00 C ATOM 1448 CD2 TYR A 96 5.500 9.910 1.816 1.00 0.00 C ATOM 1449 CE1 TYR A 96 8.225 9.803 2.223 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.108 8.696 2.066 1.00 0.00 C ATOM 1451 CZ TYR A 96 7.473 8.648 2.272 1.00 0.00 C ATOM 1452 OH TYR A 96 8.089 7.446 2.528 1.00 0.00 O ATOM 0 H TYR A 96 7.133 12.687 3.389 1.00 0.00 H new ATOM 0 HA TYR A 96 5.163 14.295 2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.638 12.224 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.207 12.999 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.199 11.914 1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.432 9.945 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.292 9.763 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.521 7.790 2.100 1.00 0.00 H new ATOM 0 HH TYR A 96 8.948 7.412 2.058 1.00 0.00 H new ATOM 1462 N ILE A 97 2.797 13.250 2.633 1.00 0.00 N ATOM 1463 CA ILE A 97 1.454 12.928 3.103 1.00 0.00 C ATOM 1464 C ILE A 97 0.474 12.715 1.916 1.00 0.00 C ATOM 1465 O ILE A 97 -0.198 13.722 1.688 1.00 0.00 O ATOM 1466 CB ILE A 97 0.916 14.054 4.008 1.00 0.00 C ATOM 1467 CG1 ILE A 97 1.379 15.416 3.492 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.371 13.839 5.437 1.00 0.00 C ATOM 1469 CD1 ILE A 97 0.280 16.448 3.457 1.00 0.00 C ATOM 0 H ILE A 97 2.825 13.812 1.782 1.00 0.00 H new ATOM 0 HA ILE A 97 1.521 12.000 3.672 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.174 14.032 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.189 15.780 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.787 15.296 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.985 14.641 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.996 12.881 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.460 13.840 5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.678 17.391 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.521 16.105 2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.113 16.596 4.463 1.00 0.00 H new ATOM 1481 N PRO A 98 -0.217 11.543 1.989 1.00 0.00 N ATOM 1482 CA PRO A 98 0.129 10.102 2.220 1.00 0.00 C ATOM 1483 C PRO A 98 0.635 9.456 0.940 1.00 0.00 C ATOM 1484 O PRO A 98 0.258 9.872 -0.160 1.00 0.00 O ATOM 1485 CB PRO A 98 -1.183 9.479 2.650 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.532 10.439 3.661 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.397 11.407 3.508 1.00 0.00 C ATOM 0 HA PRO A 98 0.921 9.973 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.914 9.425 1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.067 8.469 3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.502 10.902 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.572 9.998 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.628 12.367 3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.510 11.035 3.984 1.00 0.00 H new ATOM 1495 N ARG A 99 1.510 8.463 1.092 1.00 0.00 N ATOM 1496 CA ARG A 99 2.109 7.775 -0.047 1.00 0.00 C ATOM 1497 C ARG A 99 1.833 6.272 -0.013 1.00 0.00 C ATOM 1498 O ARG A 99 1.004 5.800 0.766 1.00 0.00 O ATOM 1499 CB ARG A 99 3.615 8.041 -0.070 1.00 0.00 C ATOM 1500 CG ARG A 99 4.006 9.248 -0.910 1.00 0.00 C ATOM 1501 CD ARG A 99 3.279 10.512 -0.469 1.00 0.00 C ATOM 1502 NE ARG A 99 3.779 11.701 -1.157 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.076 12.821 -1.307 1.00 0.00 C ATOM 1504 NH1 ARG A 99 1.848 12.916 -0.812 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.605 13.852 -1.952 1.00 0.00 N ATOM 0 H ARG A 99 1.820 8.116 2.000 1.00 0.00 H new ATOM 0 HA ARG A 99 1.654 8.166 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.965 8.191 0.951 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.126 7.159 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.082 9.406 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.782 9.048 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.212 10.403 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.396 10.640 0.607 1.00 0.00 H new ATOM 0 HE ARG A 99 4.722 11.670 -1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.437 12.127 -0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.315 13.778 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.549 13.786 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.068 14.711 -2.068 1.00 0.00 H new ATOM 1519 N ILE A 100 2.527 5.528 -0.874 1.00 0.00 N ATOM 1520 CA ILE A 100 2.356 4.080 -0.960 1.00 0.00 C ATOM 1521 C ILE A 100 3.365 3.345 -0.079 1.00 0.00 C ATOM 1522 O ILE A 100 4.547 3.682 -0.058 1.00 0.00 O ATOM 1523 CB ILE A 100 2.492 3.596 -2.417 1.00 0.00 C ATOM 1524 CG1 ILE A 100 2.236 2.095 -2.508 1.00 0.00 C ATOM 1525 CG2 ILE A 100 3.861 3.940 -2.974 1.00 0.00 C ATOM 1526 CD1 ILE A 100 2.312 1.553 -3.920 1.00 0.00 C ATOM 0 H ILE A 100 3.216 5.907 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 100 1.352 3.852 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 100 1.743 4.110 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.964 1.572 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.251 1.877 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.934 3.589 -4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.003 5.020 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.631 3.458 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.120 0.480 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.566 2.049 -4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.305 1.739 -4.328 1.00 0.00 H new ATOM 1538 N LEU A 101 2.885 2.350 0.667 1.00 0.00 N ATOM 1539 CA LEU A 101 3.740 1.586 1.574 1.00 0.00 C ATOM 1540 C LEU A 101 3.294 0.128 1.672 1.00 0.00 C ATOM 1541 O LEU A 101 2.099 -0.167 1.626 1.00 0.00 O ATOM 1542 CB LEU A 101 3.721 2.233 2.966 1.00 0.00 C ATOM 1543 CG LEU A 101 2.800 3.450 3.102 1.00 0.00 C ATOM 1544 CD1 LEU A 101 2.395 3.657 4.543 1.00 0.00 C ATOM 1545 CD2 LEU A 101 3.480 4.698 2.572 1.00 0.00 C ATOM 0 H LEU A 101 1.909 2.055 0.661 1.00 0.00 H new ATOM 0 HA LEU A 101 4.754 1.598 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.416 1.482 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.736 2.534 3.224 1.00 0.00 H new ATOM 0 HG LEU A 101 1.904 3.260 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.741 4.526 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.866 2.774 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.285 3.820 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.809 5.551 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.393 4.883 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.727 4.559 1.519 1.00 0.00 H new ATOM 1557 N PHE A 102 4.260 -0.784 1.813 1.00 0.00 N ATOM 1558 CA PHE A 102 3.949 -2.208 1.919 1.00 0.00 C ATOM 1559 C PHE A 102 3.560 -2.578 3.349 1.00 0.00 C ATOM 1560 O PHE A 102 3.977 -1.922 4.306 1.00 0.00 O ATOM 1561 CB PHE A 102 5.148 -3.043 1.476 1.00 0.00 C ATOM 1562 CG PHE A 102 5.441 -2.949 0.007 1.00 0.00 C ATOM 1563 CD1 PHE A 102 5.971 -1.790 -0.536 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.189 -4.023 -0.833 1.00 0.00 C ATOM 1565 CE1 PHE A 102 6.242 -1.701 -1.888 1.00 0.00 C ATOM 1566 CE2 PHE A 102 5.458 -3.941 -2.186 1.00 0.00 C ATOM 1567 CZ PHE A 102 5.986 -2.779 -2.715 1.00 0.00 C ATOM 0 H PHE A 102 5.255 -0.562 1.856 1.00 0.00 H new ATOM 0 HA PHE A 102 3.102 -2.419 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 102 6.028 -2.723 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 102 4.968 -4.086 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.175 -0.945 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.778 -4.934 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.653 -0.791 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.256 -4.785 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.198 -2.713 -3.772 1.00 0.00 H new ATOM 1577 N LEU A 103 2.758 -3.632 3.491 1.00 0.00 N ATOM 1578 CA LEU A 103 2.323 -4.073 4.811 1.00 0.00 C ATOM 1579 C LEU A 103 1.897 -5.540 4.809 1.00 0.00 C ATOM 1580 O LEU A 103 1.594 -6.116 3.761 1.00 0.00 O ATOM 1581 CB LEU A 103 1.177 -3.188 5.305 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.213 -3.553 4.791 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.223 -2.506 5.216 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.201 -3.703 3.278 1.00 0.00 C ATOM 0 H LEU A 103 2.400 -4.190 2.716 1.00 0.00 H new ATOM 0 HA LEU A 103 3.171 -3.981 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.161 -3.221 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.390 -2.158 5.020 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.503 -4.509 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.210 -2.780 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.250 -2.447 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.936 -1.537 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.201 -3.963 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.109 -2.763 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.498 -4.491 2.996 1.00 0.00 H new ATOM 1596 N ASP A 104 1.876 -6.136 6.001 1.00 0.00 N ATOM 1597 CA ASP A 104 1.494 -7.535 6.161 1.00 0.00 C ATOM 1598 C ASP A 104 -0.003 -7.733 5.929 1.00 0.00 C ATOM 1599 O ASP A 104 -0.806 -6.831 6.192 1.00 0.00 O ATOM 1600 CB ASP A 104 1.873 -8.030 7.557 1.00 0.00 C ATOM 1601 CG ASP A 104 3.275 -8.607 7.603 1.00 0.00 C ATOM 1602 OD1 ASP A 104 3.742 -9.117 6.565 1.00 0.00 O ATOM 1603 OD2 ASP A 104 3.906 -8.547 8.681 1.00 0.00 O ATOM 0 H ASP A 104 2.121 -5.667 6.873 1.00 0.00 H new ATOM 0 HA ASP A 104 2.034 -8.115 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.799 -7.205 8.265 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.159 -8.789 7.877 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.394 -8.928 5.434 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.797 -9.259 5.158 1.00 0.00 C ATOM 1610 C PRO A 105 -2.689 -9.091 6.383 1.00 0.00 C ATOM 1611 O PRO A 105 -2.827 -10.012 7.190 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.762 -10.732 4.739 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.355 -10.999 4.328 1.00 0.00 C ATOM 1614 CD PRO A 105 0.510 -10.046 5.107 1.00 0.00 C ATOM 0 HA PRO A 105 -2.213 -8.597 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.059 -11.381 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.453 -10.922 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.080 -12.032 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.229 -10.848 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.908 -10.514 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.364 -9.710 4.518 1.00 0.00 H new ATOM 1622 N SER A 106 -3.298 -7.916 6.507 1.00 0.00 N ATOM 1623 CA SER A 106 -4.189 -7.607 7.625 1.00 0.00 C ATOM 1624 C SER A 106 -4.326 -6.098 7.792 1.00 0.00 C ATOM 1625 O SER A 106 -5.334 -5.607 8.299 1.00 0.00 O ATOM 1626 CB SER A 106 -3.670 -8.218 8.933 1.00 0.00 C ATOM 1627 OG SER A 106 -2.253 -8.198 8.976 1.00 0.00 O ATOM 0 H SER A 106 -3.190 -7.153 5.839 1.00 0.00 H new ATOM 0 HA SER A 106 -5.164 -8.039 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.071 -7.664 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.026 -9.244 9.026 1.00 0.00 H new ATOM 0 HG SER A 106 -1.903 -9.042 8.621 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.298 -5.374 7.367 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.307 -3.933 7.482 1.00 0.00 C ATOM 1635 C GLY A 107 -2.271 -3.446 8.473 1.00 0.00 C ATOM 1636 O GLY A 107 -2.509 -2.492 9.212 1.00 0.00 O ATOM 0 H GLY A 107 -2.456 -5.764 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.114 -3.488 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.296 -3.599 7.795 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.121 -4.117 8.501 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.054 -3.750 9.431 1.00 0.00 C ATOM 1642 C LYS A 108 1.148 -3.146 8.708 1.00 0.00 C ATOM 1643 O LYS A 108 2.170 -3.807 8.523 1.00 0.00 O ATOM 1644 CB LYS A 108 0.384 -4.976 10.239 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.050 -4.927 11.695 1.00 0.00 C ATOM 1646 CD LYS A 108 1.120 -4.609 12.615 1.00 0.00 C ATOM 1647 CE LYS A 108 1.650 -5.860 13.294 1.00 0.00 C ATOM 1648 NZ LYS A 108 2.900 -6.354 12.655 1.00 0.00 N ATOM 0 H LYS A 108 -0.905 -4.910 7.897 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.451 -2.991 10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.027 -5.873 9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.470 -5.062 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.827 -4.173 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.487 -5.885 11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.919 -4.139 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.805 -3.889 13.371 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.840 -5.649 14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.891 -6.641 13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.228 -7.209 13.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.714 -6.580 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.633 -5.619 12.712 1.00 0.00 H new ATOM 1662 N VAL A 109 1.023 -1.881 8.311 1.00 0.00 N ATOM 1663 CA VAL A 109 2.098 -1.182 7.624 1.00 0.00 C ATOM 1664 C VAL A 109 3.380 -1.216 8.439 1.00 0.00 C ATOM 1665 O VAL A 109 3.381 -0.948 9.640 1.00 0.00 O ATOM 1666 CB VAL A 109 1.701 0.282 7.341 1.00 0.00 C ATOM 1667 CG1 VAL A 109 2.922 1.184 7.303 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.917 0.380 6.042 1.00 0.00 C ATOM 0 H VAL A 109 0.183 -1.321 8.456 1.00 0.00 H new ATOM 0 HA VAL A 109 2.273 -1.693 6.677 1.00 0.00 H new ATOM 0 HB VAL A 109 1.062 0.622 8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.611 2.209 7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.435 1.142 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.598 0.849 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.645 1.420 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.530 0.014 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.012 -0.224 6.117 1.00 0.00 H new ATOM 1678 N HIS A 110 4.469 -1.539 7.763 1.00 0.00 N ATOM 1679 CA HIS A 110 5.770 -1.602 8.400 1.00 0.00 C ATOM 1680 C HIS A 110 6.814 -0.940 7.511 1.00 0.00 C ATOM 1681 O HIS A 110 6.808 -1.126 6.295 1.00 0.00 O ATOM 1682 CB HIS A 110 6.161 -3.055 8.675 1.00 0.00 C ATOM 1683 CG HIS A 110 5.877 -3.980 7.532 1.00 0.00 C ATOM 1684 ND1 HIS A 110 6.356 -3.996 6.264 1.00 0.00 N flip ATOM 1685 CD2 HIS A 110 5.001 -5.041 7.622 1.00 0.00 C flip ATOM 1686 CE1 HIS A 110 5.766 -5.056 5.620 1.00 0.00 C flip ATOM 1687 NE2 HIS A 110 4.954 -5.670 6.461 1.00 0.00 N flip ATOM 0 H HIS A 110 4.476 -1.763 6.768 1.00 0.00 H new ATOM 0 HA HIS A 110 5.720 -1.070 9.350 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.224 -3.098 8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.625 -3.406 9.557 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.441 -5.315 8.504 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.938 -5.341 4.593 1.00 0.00 H new ATOM 0 HE2 HIS A 110 4.387 -6.491 6.250 1.00 0.00 H new ATOM 1696 N PRO A 111 7.729 -0.155 8.100 1.00 0.00 N ATOM 1697 CA PRO A 111 8.779 0.526 7.343 1.00 0.00 C ATOM 1698 C PRO A 111 9.812 -0.454 6.801 1.00 0.00 C ATOM 1699 O PRO A 111 11.015 -0.200 6.857 1.00 0.00 O ATOM 1700 CB PRO A 111 9.415 1.460 8.375 1.00 0.00 C ATOM 1701 CG PRO A 111 9.135 0.818 9.689 1.00 0.00 C ATOM 1702 CD PRO A 111 7.811 0.124 9.543 1.00 0.00 C ATOM 0 HA PRO A 111 8.387 1.047 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.487 1.566 8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 111 8.984 2.460 8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.920 0.108 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.099 1.561 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.770 -0.792 10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.988 0.755 9.878 1.00 0.00 H new ATOM 1710 N GLU A 112 9.331 -1.583 6.288 1.00 0.00 N ATOM 1711 CA GLU A 112 10.213 -2.610 5.746 1.00 0.00 C ATOM 1712 C GLU A 112 10.363 -2.477 4.232 1.00 0.00 C ATOM 1713 O GLU A 112 11.392 -2.011 3.743 1.00 0.00 O ATOM 1714 CB GLU A 112 9.685 -4.002 6.101 1.00 0.00 C ATOM 1715 CG GLU A 112 10.687 -4.855 6.862 1.00 0.00 C ATOM 1716 CD GLU A 112 11.338 -5.911 5.989 1.00 0.00 C ATOM 1717 OE1 GLU A 112 10.614 -6.554 5.198 1.00 0.00 O ATOM 1718 OE2 GLU A 112 12.568 -6.096 6.095 1.00 0.00 O ATOM 0 H GLU A 112 8.338 -1.809 6.237 1.00 0.00 H new ATOM 0 HA GLU A 112 11.197 -2.473 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.780 -3.897 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.402 -4.519 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.459 -4.212 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.184 -5.340 7.698 1.00 0.00 H new ATOM 1725 N ILE A 113 9.339 -2.897 3.494 1.00 0.00 N ATOM 1726 CA ILE A 113 9.377 -2.828 2.039 1.00 0.00 C ATOM 1727 C ILE A 113 8.925 -1.462 1.526 1.00 0.00 C ATOM 1728 O ILE A 113 7.753 -1.076 1.658 1.00 0.00 O ATOM 1729 CB ILE A 113 8.517 -3.935 1.396 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.904 -5.302 1.967 1.00 0.00 C ATOM 1731 CG2 ILE A 113 8.679 -3.923 -0.119 1.00 0.00 C ATOM 1732 CD1 ILE A 113 7.714 -6.174 2.297 1.00 0.00 C ATOM 0 H ILE A 113 8.478 -3.286 3.878 1.00 0.00 H new ATOM 0 HA ILE A 113 10.416 -2.981 1.749 1.00 0.00 H new ATOM 0 HB ILE A 113 7.470 -3.744 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.537 -5.822 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.499 -5.156 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.065 -4.710 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.363 -2.956 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.725 -4.094 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.061 -7.127 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.091 -5.674 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.131 -6.351 1.393 1.00 0.00 H new ATOM 1744 N ILE A 114 9.878 -0.740 0.939 1.00 0.00 N ATOM 1745 CA ILE A 114 9.637 0.587 0.392 1.00 0.00 C ATOM 1746 C ILE A 114 10.120 0.665 -1.058 1.00 0.00 C ATOM 1747 O ILE A 114 10.280 -0.359 -1.722 1.00 0.00 O ATOM 1748 CB ILE A 114 10.367 1.665 1.225 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.891 1.547 1.040 1.00 0.00 C ATOM 1750 CG2 ILE A 114 9.985 1.561 2.696 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.517 0.390 1.792 1.00 0.00 C ATOM 0 H ILE A 114 10.840 -1.063 0.831 1.00 0.00 H new ATOM 0 HA ILE A 114 8.563 0.771 0.429 1.00 0.00 H new ATOM 0 HB ILE A 114 10.056 2.647 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.110 1.437 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.359 2.475 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.510 2.329 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.910 1.702 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.261 0.577 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.592 0.376 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.332 0.507 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.079 -0.547 1.448 1.00 0.00 H new ATOM 1763 N ASN A 115 10.378 1.883 -1.532 1.00 0.00 N ATOM 1764 CA ASN A 115 10.873 2.085 -2.885 1.00 0.00 C ATOM 1765 C ASN A 115 12.396 2.075 -2.884 1.00 0.00 C ATOM 1766 O ASN A 115 13.034 3.119 -3.011 1.00 0.00 O ATOM 1767 CB ASN A 115 10.364 3.412 -3.450 1.00 0.00 C ATOM 1768 CG ASN A 115 10.546 3.511 -4.952 1.00 0.00 C ATOM 1769 OD1 ASN A 115 11.237 2.695 -5.559 1.00 0.00 O ATOM 1770 ND2 ASN A 115 9.922 4.516 -5.561 1.00 0.00 N ATOM 0 H ASN A 115 10.251 2.742 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 115 10.506 1.275 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.308 3.525 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.892 4.235 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.007 4.632 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.358 5.170 -5.018 1.00 0.00 H new ATOM 1777 N GLU A 116 12.977 0.891 -2.732 1.00 0.00 N ATOM 1778 CA GLU A 116 14.428 0.747 -2.707 1.00 0.00 C ATOM 1779 C GLU A 116 15.065 1.405 -3.928 1.00 0.00 C ATOM 1780 O GLU A 116 16.228 1.805 -3.894 1.00 0.00 O ATOM 1781 CB GLU A 116 14.814 -0.730 -2.639 1.00 0.00 C ATOM 1782 CG GLU A 116 14.869 -1.270 -1.221 1.00 0.00 C ATOM 1783 CD GLU A 116 16.104 -0.814 -0.469 1.00 0.00 C ATOM 1784 OE1 GLU A 116 17.220 -1.205 -0.869 1.00 0.00 O ATOM 1785 OE2 GLU A 116 15.954 -0.064 0.519 1.00 0.00 O ATOM 0 H GLU A 116 12.465 0.015 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 116 14.803 1.251 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.096 -1.313 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.787 -0.867 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.979 -0.948 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.848 -2.359 -1.250 1.00 0.00 H new ATOM 1792 N ASN A 117 14.292 1.522 -5.004 1.00 0.00 N ATOM 1793 CA ASN A 117 14.779 2.139 -6.230 1.00 0.00 C ATOM 1794 C ASN A 117 14.339 3.602 -6.321 1.00 0.00 C ATOM 1795 O ASN A 117 14.511 4.243 -7.359 1.00 0.00 O ATOM 1796 CB ASN A 117 14.275 1.365 -7.450 1.00 0.00 C ATOM 1797 CG ASN A 117 15.345 1.200 -8.510 1.00 0.00 C ATOM 1798 OD1 ASN A 117 15.106 1.763 -9.687 1.00 0.00 O flip ATOM 1799 ND2 ASN A 117 16.378 0.572 -8.274 1.00 0.00 N flip ATOM 0 H ASN A 117 13.326 1.197 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 117 15.868 2.109 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.925 0.382 -7.134 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.419 1.886 -7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.522 0.154 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 117 17.089 0.470 -8.998 1.00 0.00 H new ATOM 1806 N GLY A 118 13.773 4.127 -5.235 1.00 0.00 N ATOM 1807 CA GLY A 118 13.324 5.506 -5.230 1.00 0.00 C ATOM 1808 C GLY A 118 14.385 6.459 -4.718 1.00 0.00 C ATOM 1809 O GLY A 118 15.541 6.074 -4.542 1.00 0.00 O ATOM 0 H GLY A 118 13.619 3.622 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 118 13.038 5.795 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.432 5.592 -4.609 1.00 0.00 H new ATOM 1813 N ASN A 119 13.993 7.706 -4.476 1.00 0.00 N ATOM 1814 CA ASN A 119 14.921 8.716 -3.981 1.00 0.00 C ATOM 1815 C ASN A 119 15.293 8.446 -2.524 1.00 0.00 C ATOM 1816 O ASN A 119 14.520 7.836 -1.784 1.00 0.00 O ATOM 1817 CB ASN A 119 14.305 10.112 -4.114 1.00 0.00 C ATOM 1818 CG ASN A 119 15.292 11.130 -4.647 1.00 0.00 C ATOM 1819 OD1 ASN A 119 15.685 12.074 -3.798 1.00 0.00 O flip ATOM 1820 ND2 ASN A 119 15.698 11.071 -5.808 1.00 0.00 N flip ATOM 0 H ASN A 119 13.040 8.041 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 119 15.828 8.668 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.442 10.064 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.940 10.439 -3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.370 10.329 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 119 16.363 11.764 -6.152 1.00 0.00 H new ATOM 1827 N PRO A 120 16.485 8.897 -2.089 1.00 0.00 N ATOM 1828 CA PRO A 120 16.960 8.705 -0.717 1.00 0.00 C ATOM 1829 C PRO A 120 16.364 9.717 0.258 1.00 0.00 C ATOM 1830 O PRO A 120 17.068 10.266 1.106 1.00 0.00 O ATOM 1831 CB PRO A 120 18.483 8.903 -0.826 1.00 0.00 C ATOM 1832 CG PRO A 120 18.769 9.193 -2.269 1.00 0.00 C ATOM 1833 CD PRO A 120 17.471 9.628 -2.887 1.00 0.00 C ATOM 0 HA PRO A 120 16.670 7.729 -0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.814 9.725 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.015 8.011 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.524 9.973 -2.365 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.160 8.308 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.330 10.707 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.415 9.365 -3.943 1.00 0.00 H new ATOM 1841 N SER A 121 15.063 9.962 0.133 1.00 0.00 N ATOM 1842 CA SER A 121 14.370 10.906 1.000 1.00 0.00 C ATOM 1843 C SER A 121 12.902 10.958 0.613 1.00 0.00 C ATOM 1844 O SER A 121 12.284 12.023 0.591 1.00 0.00 O ATOM 1845 CB SER A 121 14.999 12.298 0.890 1.00 0.00 C ATOM 1846 OG SER A 121 15.689 12.641 2.079 1.00 0.00 O ATOM 0 H SER A 121 14.466 9.517 -0.564 1.00 0.00 H new ATOM 0 HA SER A 121 14.460 10.575 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.688 12.324 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.223 13.037 0.690 1.00 0.00 H new ATOM 0 HG SER A 121 16.423 12.009 2.225 1.00 0.00 H new ATOM 1852 N TYR A 122 12.362 9.794 0.284 1.00 0.00 N ATOM 1853 CA TYR A 122 10.977 9.686 -0.134 1.00 0.00 C ATOM 1854 C TYR A 122 10.510 8.237 -0.065 1.00 0.00 C ATOM 1855 O TYR A 122 9.483 7.928 0.540 1.00 0.00 O ATOM 1856 CB TYR A 122 10.844 10.222 -1.557 1.00 0.00 C ATOM 1857 CG TYR A 122 10.206 11.591 -1.635 1.00 0.00 C ATOM 1858 CD1 TYR A 122 8.948 11.826 -1.094 1.00 0.00 C ATOM 1859 CD2 TYR A 122 10.865 12.648 -2.249 1.00 0.00 C ATOM 1860 CE1 TYR A 122 8.366 13.079 -1.163 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.290 13.902 -2.322 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.041 14.112 -1.777 1.00 0.00 C ATOM 1863 OH TYR A 122 8.464 15.360 -1.848 1.00 0.00 O ATOM 0 H TYR A 122 12.867 8.908 0.299 1.00 0.00 H new ATOM 0 HA TYR A 122 10.349 10.274 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 122 11.833 10.266 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.252 9.521 -2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.417 11.018 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.844 12.487 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.388 13.247 -0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.816 14.713 -2.803 1.00 0.00 H new ATOM 0 HH TYR A 122 9.071 15.975 -2.311 1.00 0.00 H new ATOM 1873 N LYS A 123 11.283 7.353 -0.685 1.00 0.00 N ATOM 1874 CA LYS A 123 10.973 5.925 -0.699 1.00 0.00 C ATOM 1875 C LYS A 123 9.521 5.660 -1.111 1.00 0.00 C ATOM 1876 O LYS A 123 9.217 5.532 -2.296 1.00 0.00 O ATOM 1877 CB LYS A 123 11.257 5.315 0.680 1.00 0.00 C ATOM 1878 CG LYS A 123 12.721 4.983 0.922 1.00 0.00 C ATOM 1879 CD LYS A 123 13.290 4.110 -0.185 1.00 0.00 C ATOM 1880 CE LYS A 123 14.161 4.912 -1.138 1.00 0.00 C ATOM 1881 NZ LYS A 123 15.453 4.226 -1.418 1.00 0.00 N ATOM 0 H LYS A 123 12.135 7.601 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 123 11.613 5.452 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 123 10.921 6.010 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.666 4.406 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.297 5.906 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 123 12.825 4.471 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 123 13.877 3.303 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.474 3.647 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.624 5.072 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.357 5.895 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.067 4.855 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.922 3.990 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.274 3.354 -1.955 1.00 0.00 H new ATOM 1895 N TYR A 124 8.628 5.568 -0.125 1.00 0.00 N ATOM 1896 CA TYR A 124 7.210 5.302 -0.372 1.00 0.00 C ATOM 1897 C TYR A 124 6.636 6.151 -1.509 1.00 0.00 C ATOM 1898 O TYR A 124 5.609 5.799 -2.089 1.00 0.00 O ATOM 1899 CB TYR A 124 6.423 5.509 0.914 1.00 0.00 C ATOM 1900 CG TYR A 124 6.682 4.411 1.921 1.00 0.00 C ATOM 1901 CD1 TYR A 124 6.704 3.079 1.524 1.00 0.00 C ATOM 1902 CD2 TYR A 124 6.918 4.701 3.257 1.00 0.00 C ATOM 1903 CE1 TYR A 124 6.951 2.069 2.428 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.165 3.693 4.169 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.181 2.380 3.749 1.00 0.00 C ATOM 1906 OH TYR A 124 7.426 1.374 4.653 1.00 0.00 O ATOM 0 H TYR A 124 8.865 5.675 0.861 1.00 0.00 H new ATOM 0 HA TYR A 124 7.119 4.265 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 124 6.689 6.471 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.358 5.547 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.524 2.831 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 124 6.909 5.729 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.964 1.039 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.345 3.933 5.207 1.00 0.00 H new ATOM 0 HH TYR A 124 7.637 0.546 4.172 1.00 0.00 H new ATOM 1916 N PHE A 125 7.298 7.257 -1.840 1.00 0.00 N ATOM 1917 CA PHE A 125 6.832 8.116 -2.924 1.00 0.00 C ATOM 1918 C PHE A 125 7.144 7.479 -4.275 1.00 0.00 C ATOM 1919 O PHE A 125 8.309 7.326 -4.642 1.00 0.00 O ATOM 1920 CB PHE A 125 7.488 9.496 -2.842 1.00 0.00 C ATOM 1921 CG PHE A 125 6.863 10.508 -3.763 1.00 0.00 C ATOM 1922 CD1 PHE A 125 5.511 10.790 -3.683 1.00 0.00 C ATOM 1923 CD2 PHE A 125 7.627 11.177 -4.707 1.00 0.00 C ATOM 1924 CE1 PHE A 125 4.930 11.719 -4.524 1.00 0.00 C ATOM 1925 CE2 PHE A 125 7.052 12.106 -5.551 1.00 0.00 C ATOM 1926 CZ PHE A 125 5.701 12.376 -5.458 1.00 0.00 C ATOM 0 H PHE A 125 8.150 7.577 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 125 5.753 8.234 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.425 9.860 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.547 9.402 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 125 4.902 10.277 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 125 8.684 10.969 -4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.873 11.930 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 125 7.658 12.620 -6.282 1.00 0.00 H new ATOM 0 HZ PHE A 125 5.249 13.102 -6.117 1.00 0.00 H new ATOM 1936 N TYR A 126 6.102 7.107 -5.013 1.00 0.00 N ATOM 1937 CA TYR A 126 6.278 6.484 -6.318 1.00 0.00 C ATOM 1938 C TYR A 126 5.749 7.390 -7.425 1.00 0.00 C ATOM 1939 O TYR A 126 4.637 7.206 -7.919 1.00 0.00 O ATOM 1940 CB TYR A 126 5.573 5.129 -6.364 1.00 0.00 C ATOM 1941 CG TYR A 126 6.466 3.970 -5.980 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.578 3.564 -4.658 1.00 0.00 C ATOM 1943 CD2 TYR A 126 7.196 3.280 -6.940 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.389 2.503 -4.302 1.00 0.00 C ATOM 1945 CE2 TYR A 126 8.010 2.218 -6.592 1.00 0.00 C ATOM 1946 CZ TYR A 126 8.101 1.834 -5.273 1.00 0.00 C ATOM 1947 OH TYR A 126 8.907 0.776 -4.923 1.00 0.00 O ATOM 0 H TYR A 126 5.130 7.226 -4.729 1.00 0.00 H new ATOM 0 HA TYR A 126 7.345 6.329 -6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.714 5.153 -5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.188 4.963 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 126 6.022 4.086 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 126 7.126 3.578 -7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.464 2.200 -3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 126 8.571 1.693 -7.351 1.00 0.00 H new ATOM 0 HH TYR A 126 9.338 0.414 -5.725 1.00 0.00 H new ATOM 1957 N VAL A 127 6.563 8.366 -7.809 1.00 0.00 N ATOM 1958 CA VAL A 127 6.200 9.308 -8.857 1.00 0.00 C ATOM 1959 C VAL A 127 6.475 8.712 -10.233 1.00 0.00 C ATOM 1960 O VAL A 127 7.249 9.260 -11.020 1.00 0.00 O ATOM 1961 CB VAL A 127 6.974 10.630 -8.696 1.00 0.00 C ATOM 1962 CG1 VAL A 127 8.468 10.413 -8.891 1.00 0.00 C ATOM 1963 CG2 VAL A 127 6.450 11.682 -9.659 1.00 0.00 C ATOM 0 H VAL A 127 7.486 8.525 -7.405 1.00 0.00 H new ATOM 0 HA VAL A 127 5.133 9.514 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 127 6.817 10.992 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.992 11.361 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.832 9.702 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 127 8.651 10.020 -9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 127 7.011 12.607 -9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.568 11.328 -10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.395 11.866 -9.458 1.00 0.00 H new ATOM 1973 N SER A 128 5.834 7.578 -10.513 1.00 0.00 N ATOM 1974 CA SER A 128 5.999 6.881 -11.793 1.00 0.00 C ATOM 1975 C SER A 128 5.490 5.440 -11.707 1.00 0.00 C ATOM 1976 O SER A 128 5.669 4.767 -10.689 1.00 0.00 O ATOM 1977 CB SER A 128 7.468 6.879 -12.231 1.00 0.00 C ATOM 1978 OG SER A 128 8.335 6.946 -11.112 1.00 0.00 O ATOM 0 H SER A 128 5.191 7.118 -9.868 1.00 0.00 H new ATOM 0 HA SER A 128 5.408 7.419 -12.534 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.678 5.976 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.655 7.726 -12.891 1.00 0.00 H new ATOM 0 HG SER A 128 7.857 6.649 -10.310 1.00 0.00 H new ATOM 1984 N ALA A 129 4.862 4.972 -12.785 1.00 0.00 N ATOM 1985 CA ALA A 129 4.333 3.612 -12.830 1.00 0.00 C ATOM 1986 C ALA A 129 5.443 2.590 -13.058 1.00 0.00 C ATOM 1987 O ALA A 129 5.352 1.448 -12.608 1.00 0.00 O ATOM 1988 CB ALA A 129 3.278 3.483 -13.918 1.00 0.00 C ATOM 0 H ALA A 129 4.708 5.513 -13.636 1.00 0.00 H new ATOM 0 HA ALA A 129 3.874 3.407 -11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.896 2.462 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.459 4.173 -13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.721 3.721 -14.885 1.00 0.00 H new ATOM 1994 N GLU A 130 6.485 3.005 -13.770 1.00 0.00 N ATOM 1995 CA GLU A 130 7.609 2.123 -14.068 1.00 0.00 C ATOM 1996 C GLU A 130 8.246 1.581 -12.792 1.00 0.00 C ATOM 1997 O GLU A 130 8.610 0.405 -12.714 1.00 0.00 O ATOM 1998 CB GLU A 130 8.658 2.863 -14.899 1.00 0.00 C ATOM 1999 CG GLU A 130 9.079 4.196 -14.301 1.00 0.00 C ATOM 2000 CD GLU A 130 10.247 4.822 -15.040 1.00 0.00 C ATOM 2001 OE1 GLU A 130 11.381 4.320 -14.889 1.00 0.00 O ATOM 2002 OE2 GLU A 130 10.028 5.812 -15.768 1.00 0.00 O ATOM 0 H GLU A 130 6.575 3.947 -14.152 1.00 0.00 H new ATOM 0 HA GLU A 130 7.225 1.279 -14.641 1.00 0.00 H new ATOM 0 HB2 GLU A 130 9.538 2.229 -15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 130 8.263 3.032 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 130 8.232 4.882 -14.319 1.00 0.00 H new ATOM 0 HG3 GLU A 130 9.350 4.052 -13.255 1.00 0.00 H new ATOM 2009 N GLN A 131 8.390 2.434 -11.788 1.00 0.00 N ATOM 2010 CA GLN A 131 8.995 1.996 -10.540 1.00 0.00 C ATOM 2011 C GLN A 131 8.024 1.169 -9.706 1.00 0.00 C ATOM 2012 O GLN A 131 8.323 0.038 -9.341 1.00 0.00 O ATOM 2013 CB GLN A 131 9.507 3.156 -9.701 1.00 0.00 C ATOM 2014 CG GLN A 131 8.756 4.464 -9.883 1.00 0.00 C ATOM 2015 CD GLN A 131 9.257 5.547 -8.950 1.00 0.00 C ATOM 2016 OE1 GLN A 131 8.375 6.462 -8.575 1.00 0.00 O flip ATOM 2017 NE2 GLN A 131 10.428 5.561 -8.568 1.00 0.00 N flip ATOM 0 H GLN A 131 8.103 3.413 -11.811 1.00 0.00 H new ATOM 0 HA GLN A 131 9.845 1.377 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.461 2.872 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.557 3.322 -9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.859 4.800 -10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.693 4.298 -9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 131 11.075 4.837 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 131 10.750 6.296 -7.939 1.00 0.00 H new ATOM 2026 N VAL A 132 6.863 1.740 -9.394 1.00 0.00 N ATOM 2027 CA VAL A 132 5.869 1.036 -8.586 1.00 0.00 C ATOM 2028 C VAL A 132 5.619 -0.368 -9.120 1.00 0.00 C ATOM 2029 O VAL A 132 5.213 -1.254 -8.372 1.00 0.00 O ATOM 2030 CB VAL A 132 4.541 1.816 -8.498 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.113 2.322 -9.862 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.444 0.967 -7.867 1.00 0.00 C ATOM 0 H VAL A 132 6.589 2.678 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 132 6.279 0.958 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 132 4.708 2.680 -7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.174 2.868 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.880 2.985 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.976 1.477 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.520 1.544 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.283 0.074 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.743 0.676 -6.860 1.00 0.00 H new ATOM 2042 N VAL A 133 5.880 -0.576 -10.405 1.00 0.00 N ATOM 2043 CA VAL A 133 5.693 -1.888 -10.998 1.00 0.00 C ATOM 2044 C VAL A 133 6.889 -2.785 -10.701 1.00 0.00 C ATOM 2045 O VAL A 133 6.733 -3.998 -10.550 1.00 0.00 O ATOM 2046 CB VAL A 133 5.467 -1.819 -12.520 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.722 -1.337 -13.224 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.036 -3.176 -13.057 1.00 0.00 C ATOM 0 H VAL A 133 6.218 0.140 -11.048 1.00 0.00 H new ATOM 0 HA VAL A 133 4.795 -2.310 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 133 4.669 -1.104 -12.718 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.543 -1.295 -14.298 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.984 -0.343 -12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.541 -2.026 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.881 -3.109 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.811 -3.913 -12.848 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.107 -3.480 -12.575 1.00 0.00 H new ATOM 2058 N GLN A 134 8.090 -2.196 -10.597 1.00 0.00 N ATOM 2059 CA GLN A 134 9.270 -3.005 -10.294 1.00 0.00 C ATOM 2060 C GLN A 134 9.297 -3.313 -8.808 1.00 0.00 C ATOM 2061 O GLN A 134 9.741 -4.384 -8.390 1.00 0.00 O ATOM 2062 CB GLN A 134 10.568 -2.315 -10.722 1.00 0.00 C ATOM 2063 CG GLN A 134 10.599 -0.831 -10.440 1.00 0.00 C ATOM 2064 CD GLN A 134 11.905 -0.183 -10.851 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.138 -0.097 -12.156 1.00 0.00 O flip ATOM 2066 NE2 GLN A 134 12.697 0.237 -10.008 1.00 0.00 N flip ATOM 0 H GLN A 134 8.263 -1.198 -10.714 1.00 0.00 H new ATOM 0 HA GLN A 134 9.202 -3.932 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.405 -2.789 -10.209 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.717 -2.474 -11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.777 -0.348 -10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.435 -0.665 -9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 134 12.479 0.151 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.572 0.671 -10.302 1.00 0.00 H new ATOM 2075 N GLY A 135 8.776 -2.383 -8.018 1.00 0.00 N ATOM 2076 CA GLY A 135 8.705 -2.584 -6.592 1.00 0.00 C ATOM 2077 C GLY A 135 7.607 -3.566 -6.250 1.00 0.00 C ATOM 2078 O GLY A 135 7.668 -4.249 -5.228 1.00 0.00 O ATOM 0 H GLY A 135 8.402 -1.492 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.661 -2.955 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.519 -1.633 -6.093 1.00 0.00 H new ATOM 2082 N MET A 136 6.601 -3.650 -7.126 1.00 0.00 N ATOM 2083 CA MET A 136 5.494 -4.575 -6.917 1.00 0.00 C ATOM 2084 C MET A 136 5.880 -5.974 -7.378 1.00 0.00 C ATOM 2085 O MET A 136 5.551 -6.967 -6.728 1.00 0.00 O ATOM 2086 CB MET A 136 4.244 -4.103 -7.669 1.00 0.00 C ATOM 2087 CG MET A 136 3.109 -3.673 -6.754 1.00 0.00 C ATOM 2088 SD MET A 136 3.018 -1.886 -6.548 1.00 0.00 S ATOM 2089 CE MET A 136 4.478 -1.584 -5.556 1.00 0.00 C ATOM 0 H MET A 136 6.534 -3.092 -7.978 1.00 0.00 H new ATOM 0 HA MET A 136 5.269 -4.602 -5.851 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.513 -3.269 -8.317 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.893 -4.908 -8.315 1.00 0.00 H new ATOM 0 HG2 MET A 136 2.164 -4.036 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.238 -4.141 -5.778 1.00 0.00 H new ATOM 0 HE1 MET A 136 4.383 -0.622 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 136 4.582 -2.374 -4.812 1.00 0.00 H new ATOM 0 HE3 MET A 136 5.358 -1.572 -6.199 1.00 0.00 H new ATOM 2099 N LYS A 137 6.584 -6.045 -8.504 1.00 0.00 N ATOM 2100 CA LYS A 137 7.019 -7.322 -9.057 1.00 0.00 C ATOM 2101 C LYS A 137 8.186 -7.906 -8.259 1.00 0.00 C ATOM 2102 O LYS A 137 8.502 -9.089 -8.386 1.00 0.00 O ATOM 2103 CB LYS A 137 7.400 -7.160 -10.533 1.00 0.00 C ATOM 2104 CG LYS A 137 8.740 -6.479 -10.765 1.00 0.00 C ATOM 2105 CD LYS A 137 8.816 -5.850 -12.151 1.00 0.00 C ATOM 2106 CE LYS A 137 8.396 -6.823 -13.243 1.00 0.00 C ATOM 2107 NZ LYS A 137 9.333 -7.977 -13.349 1.00 0.00 N ATOM 0 H LYS A 137 6.865 -5.232 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 137 6.187 -8.022 -8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.421 -8.144 -11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.622 -6.585 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.895 -5.711 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.543 -7.207 -10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.175 -4.969 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.835 -5.511 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.391 -7.189 -13.036 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.354 -6.300 -14.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 9.012 -8.616 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.288 -7.630 -13.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.354 -8.491 -12.445 1.00 0.00 H new ATOM 2121 N GLU A 138 8.817 -7.077 -7.429 1.00 0.00 N ATOM 2122 CA GLU A 138 9.937 -7.526 -6.607 1.00 0.00 C ATOM 2123 C GLU A 138 9.428 -8.242 -5.364 1.00 0.00 C ATOM 2124 O GLU A 138 9.749 -9.405 -5.123 1.00 0.00 O ATOM 2125 CB GLU A 138 10.816 -6.340 -6.205 1.00 0.00 C ATOM 2126 CG GLU A 138 12.194 -6.746 -5.710 1.00 0.00 C ATOM 2127 CD GLU A 138 12.867 -5.653 -4.901 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.590 -5.558 -3.687 1.00 0.00 O ATOM 2129 OE2 GLU A 138 13.670 -4.895 -5.481 1.00 0.00 O ATOM 0 H GLU A 138 8.572 -6.094 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 138 10.536 -8.222 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.928 -5.674 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.311 -5.772 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 138 12.107 -7.644 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 138 12.822 -7.001 -6.563 1.00 0.00 H new ATOM 2136 N ALA A 139 8.619 -7.535 -4.585 1.00 0.00 N ATOM 2137 CA ALA A 139 8.039 -8.091 -3.367 1.00 0.00 C ATOM 2138 C ALA A 139 7.054 -9.212 -3.692 1.00 0.00 C ATOM 2139 O ALA A 139 6.649 -9.971 -2.815 1.00 0.00 O ATOM 2140 CB ALA A 139 7.353 -6.997 -2.564 1.00 0.00 C ATOM 0 H ALA A 139 8.348 -6.570 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 139 8.845 -8.514 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 139 6.924 -7.425 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.081 -6.232 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.561 -6.548 -3.163 1.00 0.00 H new ATOM 2146 N GLN A 140 6.660 -9.299 -4.956 1.00 0.00 N ATOM 2147 CA GLN A 140 5.713 -10.314 -5.399 1.00 0.00 C ATOM 2148 C GLN A 140 6.197 -11.730 -5.079 1.00 0.00 C ATOM 2149 O GLN A 140 5.405 -12.673 -5.080 1.00 0.00 O ATOM 2150 CB GLN A 140 5.477 -10.180 -6.906 1.00 0.00 C ATOM 2151 CG GLN A 140 4.107 -9.631 -7.262 1.00 0.00 C ATOM 2152 CD GLN A 140 3.604 -10.150 -8.594 1.00 0.00 C ATOM 2153 OE1 GLN A 140 2.704 -9.401 -9.218 1.00 0.00 O flip ATOM 2154 NE2 GLN A 140 4.020 -11.211 -9.056 1.00 0.00 N flip ATOM 0 H GLN A 140 6.983 -8.676 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 140 4.781 -10.152 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 140 6.241 -9.527 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 140 5.600 -11.157 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.397 -9.899 -6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.152 -8.542 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.713 -11.755 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 140 3.672 -11.547 -9.954 1.00 0.00 H new ATOM 2163 N GLU A 141 7.494 -11.886 -4.827 1.00 0.00 N ATOM 2164 CA GLU A 141 8.051 -13.205 -4.534 1.00 0.00 C ATOM 2165 C GLU A 141 8.668 -13.277 -3.136 1.00 0.00 C ATOM 2166 O GLU A 141 8.644 -14.328 -2.496 1.00 0.00 O ATOM 2167 CB GLU A 141 9.084 -13.582 -5.603 1.00 0.00 C ATOM 2168 CG GLU A 141 10.517 -13.503 -5.124 1.00 0.00 C ATOM 2169 CD GLU A 141 11.514 -13.404 -6.263 1.00 0.00 C ATOM 2170 OE1 GLU A 141 11.699 -12.291 -6.795 1.00 0.00 O ATOM 2171 OE2 GLU A 141 12.111 -14.443 -6.622 1.00 0.00 O ATOM 0 H GLU A 141 8.173 -11.125 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 141 7.231 -13.923 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.882 -14.596 -5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 141 8.961 -12.922 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.630 -12.637 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 141 10.744 -14.385 -4.524 1.00 0.00 H new ATOM 2178 N ARG A 142 9.234 -12.169 -2.670 1.00 0.00 N ATOM 2179 CA ARG A 142 9.870 -12.139 -1.356 1.00 0.00 C ATOM 2180 C ARG A 142 8.877 -11.767 -0.257 1.00 0.00 C ATOM 2181 O ARG A 142 9.039 -12.170 0.894 1.00 0.00 O ATOM 2182 CB ARG A 142 11.041 -11.155 -1.356 1.00 0.00 C ATOM 2183 CG ARG A 142 10.623 -9.708 -1.562 1.00 0.00 C ATOM 2184 CD ARG A 142 11.625 -8.751 -0.940 1.00 0.00 C ATOM 2185 NE ARG A 142 12.958 -8.902 -1.519 1.00 0.00 N ATOM 2186 CZ ARG A 142 14.076 -8.490 -0.927 1.00 0.00 C ATOM 2187 NH1 ARG A 142 14.028 -7.900 0.261 1.00 0.00 N ATOM 2188 NH2 ARG A 142 15.247 -8.671 -1.523 1.00 0.00 N ATOM 0 H ARG A 142 9.266 -11.285 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 142 10.241 -13.142 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.574 -11.239 -0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 142 11.741 -11.437 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.533 -9.501 -2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.639 -9.545 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 142 11.283 -7.726 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.675 -8.926 0.135 1.00 0.00 H new ATOM 0 HE ARG A 142 13.036 -9.350 -2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.131 -7.760 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.889 -7.586 0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 142 15.290 -9.126 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 142 16.104 -8.355 -1.069 1.00 0.00 H new ATOM 2202 N LEU A 143 7.858 -10.996 -0.611 1.00 0.00 N ATOM 2203 CA LEU A 143 6.854 -10.574 0.359 1.00 0.00 C ATOM 2204 C LEU A 143 5.674 -11.540 0.394 1.00 0.00 C ATOM 2205 O LEU A 143 5.071 -11.757 1.444 1.00 0.00 O ATOM 2206 CB LEU A 143 6.361 -9.161 0.036 1.00 0.00 C ATOM 2207 CG LEU A 143 5.430 -8.546 1.083 1.00 0.00 C ATOM 2208 CD1 LEU A 143 6.033 -8.664 2.474 1.00 0.00 C ATOM 2209 CD2 LEU A 143 5.139 -7.092 0.743 1.00 0.00 C ATOM 0 H LEU A 143 7.704 -10.651 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 143 7.323 -10.574 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 143 7.226 -8.510 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 143 5.841 -9.184 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 143 4.489 -9.097 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 143 5.355 -8.221 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 143 6.188 -9.716 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 143 6.989 -8.140 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 143 4.475 -6.668 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 143 6.072 -6.529 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 143 4.660 -7.036 -0.235 1.00 0.00 H new ATOM 2221 N THR A 144 5.350 -12.119 -0.757 1.00 0.00 N ATOM 2222 CA THR A 144 4.245 -13.062 -0.854 1.00 0.00 C ATOM 2223 C THR A 144 4.503 -14.296 0.004 1.00 0.00 C ATOM 2224 O THR A 144 4.954 -15.329 -0.496 1.00 0.00 O ATOM 2225 CB THR A 144 4.034 -13.468 -2.309 1.00 0.00 C ATOM 2226 OG1 THR A 144 5.254 -13.884 -2.897 1.00 0.00 O ATOM 2227 CG2 THR A 144 3.463 -12.360 -3.166 1.00 0.00 C ATOM 0 H THR A 144 5.839 -11.951 -1.636 1.00 0.00 H new ATOM 0 HA THR A 144 3.344 -12.574 -0.483 1.00 0.00 H new ATOM 0 HB THR A 144 3.313 -14.285 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 144 5.204 -13.770 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 144 3.339 -12.718 -4.188 1.00 0.00 H new ATOM 0 HG22 THR A 144 2.495 -12.055 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 144 4.143 -11.508 -3.160 1.00 0.00 H new