USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 559 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 81 ASN : amide:sc= -0.358 K(o=0.095,f=-6!) USER MOD Set 1.2: A 82 THR OG1 : rot 58:sc= 0.453 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.133 K(o=0.11,f=-4.4!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -0.0206 F(o=-2.4,f=0.11) USER MOD Set 3.1: A 22 THR OG1 : rot 72:sc= 1.12 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.11 K(o=3.2,f=-2.9!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0707 F(o=-3.4!,f=-0.071) USER MOD Single : A 27 ASN : amide:sc= -0.0649 X(o=-0.065,f=-0.48) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0728 F(o=-1.7,f=-0.073) USER MOD Single : A 33 MET CE :methyl -111:sc= -3.5! (180deg=-5.62!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -3.06! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.57! C(o=-5.7!,f=-3.6!) USER MOD Single : A 40 SER OG : rot 92:sc= 1.25 USER MOD Single : A 43 SER OG : rot -31:sc= 0.175 USER MOD Single : A 44 SER OG : rot -60:sc= 1.23 USER MOD Single : A 50 SER OG : rot -96:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0247 (180deg=-0.33) USER MOD Single : A 62 SER OG : rot -154:sc= 0.501 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 70 TYR OH : rot -163:sc= -0.885 USER MOD Single : A 72 THR OG1 : rot 173:sc= 0.964 USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 0.978 (180deg=-0.849!) USER MOD Single : A 84 ASN : amide:sc= -3.49! C(o=-3.5!,f=-11!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= -0.0077 (180deg=-0.129) USER MOD Single : A 96 SER OG : rot -15:sc= 0.665 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.157 -2.636 5.989 1.00 0.00 N ATOM 302 CA THR A 22 7.269 -3.675 5.509 1.00 0.00 C ATOM 303 C THR A 22 5.855 -3.118 5.357 1.00 0.00 C ATOM 304 O THR A 22 4.989 -3.727 4.729 1.00 0.00 O ATOM 305 CB THR A 22 7.259 -4.866 6.484 1.00 0.00 C ATOM 306 OG1 THR A 22 6.883 -4.416 7.790 1.00 0.00 O ATOM 307 CG2 THR A 22 8.628 -5.520 6.560 1.00 0.00 C ATOM 0 HA THR A 22 7.627 -4.020 4.539 1.00 0.00 H new ATOM 0 HB THR A 22 6.540 -5.599 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.927 -4.200 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.593 -6.358 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.914 -5.880 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.361 -4.791 6.907 1.00 0.00 H new ATOM 315 N ASN A 23 5.638 -1.950 5.953 1.00 0.00 N ATOM 316 CA ASN A 23 4.348 -1.271 5.904 1.00 0.00 C ATOM 317 C ASN A 23 4.151 -0.656 4.529 1.00 0.00 C ATOM 318 O ASN A 23 4.890 0.245 4.136 1.00 0.00 O ATOM 319 CB ASN A 23 4.305 -0.153 6.945 1.00 0.00 C ATOM 320 CG ASN A 23 2.892 0.269 7.332 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.945 0.176 6.407 1.00 0.00 O flip ATOM 322 ND2 ASN A 23 2.654 0.687 8.463 1.00 0.00 N flip ATOM 0 H ASN A 23 6.350 -1.448 6.483 1.00 0.00 H new ATOM 0 HA ASN A 23 3.562 -1.997 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.835 -0.481 7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.840 0.714 6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.403 0.747 9.153 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.707 0.974 8.712 1.00 0.00 H new ATOM 329 N LEU A 24 3.169 -1.130 3.797 1.00 0.00 N ATOM 330 CA LEU A 24 2.888 -0.577 2.490 1.00 0.00 C ATOM 331 C LEU A 24 1.639 0.276 2.509 1.00 0.00 C ATOM 332 O LEU A 24 0.561 -0.173 2.891 1.00 0.00 O ATOM 333 CB LEU A 24 2.757 -1.691 1.455 1.00 0.00 C ATOM 334 CG LEU A 24 3.848 -1.718 0.386 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.229 -1.653 1.011 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.717 -2.967 -0.450 1.00 0.00 C ATOM 0 H LEU A 24 2.554 -1.893 4.081 1.00 0.00 H new ATOM 0 HA LEU A 24 3.725 0.063 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.756 -2.649 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.790 -1.595 0.962 1.00 0.00 H new ATOM 0 HG LEU A 24 3.723 -0.842 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.985 -1.674 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.326 -0.731 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.369 -2.508 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.498 -2.980 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.818 -3.845 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.740 -2.981 -0.933 1.00 0.00 H new ATOM 348 N ILE A 25 1.811 1.519 2.112 1.00 0.00 N ATOM 349 CA ILE A 25 0.704 2.420 1.928 1.00 0.00 C ATOM 350 C ILE A 25 0.184 2.246 0.510 1.00 0.00 C ATOM 351 O ILE A 25 0.945 2.286 -0.458 1.00 0.00 O ATOM 352 CB ILE A 25 1.106 3.891 2.186 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.147 4.761 2.245 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.095 4.394 1.139 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.129 6.238 2.401 1.00 0.00 C ATOM 0 H ILE A 25 2.723 1.929 1.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.075 2.181 2.652 1.00 0.00 H new ATOM 0 HB ILE A 25 1.616 3.952 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.726 4.606 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.767 4.429 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.355 5.431 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.996 3.781 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.642 4.330 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.814 6.783 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.680 6.410 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.721 6.589 1.556 1.00 0.00 H new ATOM 367 N VAL A 26 -1.094 1.985 0.385 1.00 0.00 N ATOM 368 CA VAL A 26 -1.675 1.738 -0.914 1.00 0.00 C ATOM 369 C VAL A 26 -2.761 2.750 -1.193 1.00 0.00 C ATOM 370 O VAL A 26 -3.818 2.729 -0.569 1.00 0.00 O ATOM 371 CB VAL A 26 -2.253 0.324 -1.012 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.627 0.001 -2.449 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.247 -0.671 -0.479 1.00 0.00 C ATOM 0 H VAL A 26 -1.751 1.938 1.164 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.883 1.832 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.160 0.264 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.036 -1.008 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.373 0.714 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.740 0.065 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.659 -1.678 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.331 -0.612 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.025 -0.441 0.563 1.00 0.00 H new ATOM 383 N ASN A 27 -2.485 3.644 -2.111 1.00 0.00 N ATOM 384 CA ASN A 27 -3.430 4.685 -2.454 1.00 0.00 C ATOM 385 C ASN A 27 -4.199 4.308 -3.696 1.00 0.00 C ATOM 386 O ASN A 27 -3.929 3.277 -4.314 1.00 0.00 O ATOM 387 CB ASN A 27 -2.723 6.019 -2.669 1.00 0.00 C ATOM 388 CG ASN A 27 -2.960 6.982 -1.528 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.902 7.773 -1.550 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.108 6.920 -0.523 1.00 0.00 N ATOM 0 H ASN A 27 -1.612 3.674 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.125 4.793 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.652 5.847 -2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.072 6.467 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.217 7.543 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.341 6.249 -0.546 1.00 0.00 H new ATOM 397 N TYR A 28 -5.155 5.155 -4.046 1.00 0.00 N ATOM 398 CA TYR A 28 -5.966 4.980 -5.242 1.00 0.00 C ATOM 399 C TYR A 28 -6.790 3.698 -5.165 1.00 0.00 C ATOM 400 O TYR A 28 -7.150 3.116 -6.187 1.00 0.00 O ATOM 401 CB TYR A 28 -5.081 4.976 -6.488 1.00 0.00 C ATOM 402 CG TYR A 28 -4.236 6.219 -6.632 1.00 0.00 C ATOM 403 CD1 TYR A 28 -4.697 7.330 -7.321 1.00 0.00 C ATOM 404 CD2 TYR A 28 -2.977 6.279 -6.060 1.00 0.00 C ATOM 405 CE1 TYR A 28 -3.920 8.468 -7.434 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.194 7.404 -6.167 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.669 8.499 -6.854 1.00 0.00 C ATOM 408 OH TYR A 28 -1.893 9.628 -6.960 1.00 0.00 O ATOM 0 H TYR A 28 -5.391 5.987 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.658 5.819 -5.308 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.428 4.104 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.711 4.871 -7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.676 7.306 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.602 5.424 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.290 9.327 -7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.213 7.429 -5.715 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.042 9.485 -6.495 1.00 0.00 H new ATOM 418 N LEU A 29 -7.083 3.263 -3.943 1.00 0.00 N ATOM 419 CA LEU A 29 -7.949 2.112 -3.730 1.00 0.00 C ATOM 420 C LEU A 29 -9.359 2.439 -4.198 1.00 0.00 C ATOM 421 O LEU A 29 -9.793 3.592 -4.116 1.00 0.00 O ATOM 422 CB LEU A 29 -7.987 1.722 -2.248 1.00 0.00 C ATOM 423 CG LEU A 29 -6.656 1.277 -1.644 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.873 0.671 -0.269 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.958 0.287 -2.558 1.00 0.00 C ATOM 0 H LEU A 29 -6.733 3.691 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.551 1.274 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.357 2.573 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.709 0.916 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.017 2.154 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.915 0.359 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.330 1.412 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.531 -0.194 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.012 -0.018 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.592 -0.589 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.768 0.755 -3.524 1.00 0.00 H new ATOM 437 N PRO A 30 -10.092 1.439 -4.707 1.00 0.00 N ATOM 438 CA PRO A 30 -11.479 1.629 -5.123 1.00 0.00 C ATOM 439 C PRO A 30 -12.327 2.159 -3.970 1.00 0.00 C ATOM 440 O PRO A 30 -12.157 1.738 -2.822 1.00 0.00 O ATOM 441 CB PRO A 30 -11.944 0.230 -5.518 1.00 0.00 C ATOM 442 CG PRO A 30 -10.698 -0.541 -5.788 1.00 0.00 C ATOM 443 CD PRO A 30 -9.627 0.054 -4.921 1.00 0.00 C ATOM 0 HA PRO A 30 -11.572 2.353 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.525 -0.231 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.584 0.263 -6.400 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.839 -1.597 -5.559 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.424 -0.477 -6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.526 -0.486 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.653 0.028 -5.410 1.00 0.00 H new ATOM 451 N GLN A 31 -13.255 3.054 -4.277 1.00 0.00 N ATOM 452 CA GLN A 31 -14.023 3.752 -3.248 1.00 0.00 C ATOM 453 C GLN A 31 -15.058 2.840 -2.589 1.00 0.00 C ATOM 454 O GLN A 31 -15.750 3.243 -1.653 1.00 0.00 O ATOM 455 CB GLN A 31 -14.715 4.970 -3.852 1.00 0.00 C ATOM 456 CG GLN A 31 -13.747 5.981 -4.442 1.00 0.00 C ATOM 457 CD GLN A 31 -12.812 6.579 -3.407 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.645 5.978 -3.241 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.128 7.587 -2.777 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.497 3.317 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.324 4.071 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.403 4.639 -4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.314 5.457 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.157 5.499 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.312 6.782 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.037 8.022 -2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.481 7.988 -2.098 1.00 0.00 H new ATOM 468 N ASN A 32 -15.171 1.617 -3.089 1.00 0.00 N ATOM 469 CA ASN A 32 -16.127 0.661 -2.557 1.00 0.00 C ATOM 470 C ASN A 32 -15.435 -0.600 -2.043 1.00 0.00 C ATOM 471 O ASN A 32 -16.100 -1.550 -1.630 1.00 0.00 O ATOM 472 CB ASN A 32 -17.136 0.271 -3.638 1.00 0.00 C ATOM 473 CG ASN A 32 -16.504 -0.502 -4.784 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.350 -0.275 -5.148 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.255 -1.433 -5.354 1.00 0.00 N ATOM 0 H ASN A 32 -14.610 1.265 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.639 1.140 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.925 -0.333 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.607 1.172 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.881 -1.990 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.207 -1.592 -5.025 1.00 0.00 H new ATOM 482 N MET A 33 -14.109 -0.614 -2.067 1.00 0.00 N ATOM 483 CA MET A 33 -13.363 -1.822 -1.742 1.00 0.00 C ATOM 484 C MET A 33 -13.262 -2.049 -0.231 1.00 0.00 C ATOM 485 O MET A 33 -13.560 -1.156 0.556 1.00 0.00 O ATOM 486 CB MET A 33 -11.977 -1.743 -2.362 1.00 0.00 C ATOM 487 CG MET A 33 -11.285 -3.077 -2.388 1.00 0.00 C ATOM 488 SD MET A 33 -9.786 -3.071 -3.370 1.00 0.00 S ATOM 489 CE MET A 33 -8.728 -2.214 -2.230 1.00 0.00 C ATOM 0 H MET A 33 -13.531 0.192 -2.306 1.00 0.00 H new ATOM 0 HA MET A 33 -13.904 -2.674 -2.155 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.058 -1.359 -3.379 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.370 -1.033 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.043 -3.374 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 33 -11.969 -3.827 -2.785 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.491 -1.226 -2.625 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.236 -2.109 -1.271 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.807 -2.780 -2.093 1.00 0.00 H new ATOM 499 N THR A 34 -12.838 -3.253 0.158 1.00 0.00 N ATOM 500 CA THR A 34 -12.758 -3.636 1.563 1.00 0.00 C ATOM 501 C THR A 34 -11.312 -3.901 1.975 1.00 0.00 C ATOM 502 O THR A 34 -10.431 -3.993 1.113 1.00 0.00 O ATOM 503 CB THR A 34 -13.581 -4.914 1.834 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.908 -6.056 1.294 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.952 -4.805 1.194 1.00 0.00 C ATOM 0 H THR A 34 -12.543 -3.984 -0.490 1.00 0.00 H new ATOM 0 HA THR A 34 -13.161 -2.807 2.144 1.00 0.00 H new ATOM 0 HB THR A 34 -13.691 -5.027 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.437 -6.862 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.520 -5.714 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.481 -3.947 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.842 -4.676 0.117 1.00 0.00 H new ATOM 513 N GLN A 35 -11.068 -4.016 3.280 1.00 0.00 N ATOM 514 CA GLN A 35 -9.759 -4.440 3.775 1.00 0.00 C ATOM 515 C GLN A 35 -9.375 -5.755 3.148 1.00 0.00 C ATOM 516 O GLN A 35 -8.264 -5.924 2.684 1.00 0.00 O ATOM 517 CB GLN A 35 -9.745 -4.644 5.291 1.00 0.00 C ATOM 518 CG GLN A 35 -9.997 -3.395 6.113 1.00 0.00 C ATOM 519 CD GLN A 35 -11.443 -2.923 6.084 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.382 -3.846 5.919 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.714 -1.729 6.209 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.755 -3.823 4.009 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.059 -3.646 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.500 -5.387 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.778 -5.059 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.708 -3.587 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.356 -2.594 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.966 -1.047 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.686 -1.422 6.187 1.00 0.00 H new ATOM 530 N ASP A 36 -10.323 -6.673 3.133 1.00 0.00 N ATOM 531 CA ASP A 36 -10.079 -8.035 2.690 1.00 0.00 C ATOM 532 C ASP A 36 -9.663 -8.072 1.226 1.00 0.00 C ATOM 533 O ASP A 36 -8.880 -8.923 0.827 1.00 0.00 O ATOM 534 CB ASP A 36 -11.336 -8.872 2.912 1.00 0.00 C ATOM 535 CG ASP A 36 -11.102 -10.348 2.664 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.370 -10.979 3.455 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.658 -10.888 1.688 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.284 -6.497 3.427 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.258 -8.452 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.687 -8.730 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.127 -8.517 2.251 1.00 0.00 H new ATOM 542 N GLU A 37 -10.162 -7.136 0.428 1.00 0.00 N ATOM 543 CA GLU A 37 -9.766 -7.051 -0.970 1.00 0.00 C ATOM 544 C GLU A 37 -8.362 -6.467 -1.062 1.00 0.00 C ATOM 545 O GLU A 37 -7.495 -6.998 -1.759 1.00 0.00 O ATOM 546 CB GLU A 37 -10.744 -6.177 -1.751 1.00 0.00 C ATOM 547 CG GLU A 37 -12.205 -6.569 -1.576 1.00 0.00 C ATOM 548 CD GLU A 37 -12.522 -7.924 -2.168 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.749 -8.875 -1.395 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.537 -8.051 -3.411 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.837 -6.430 0.723 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.776 -8.051 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.617 -5.140 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.491 -6.224 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.450 -6.575 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.838 -5.815 -2.045 1.00 0.00 H new ATOM 557 N LEU A 38 -8.149 -5.377 -0.324 1.00 0.00 N ATOM 558 CA LEU A 38 -6.842 -4.738 -0.218 1.00 0.00 C ATOM 559 C LEU A 38 -5.824 -5.744 0.330 1.00 0.00 C ATOM 560 O LEU A 38 -4.665 -5.774 -0.069 1.00 0.00 O ATOM 561 CB LEU A 38 -6.985 -3.496 0.700 1.00 0.00 C ATOM 562 CG LEU A 38 -5.737 -2.631 0.911 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.954 -3.104 2.117 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.868 -2.635 -0.334 1.00 0.00 C ATOM 0 H LEU A 38 -8.880 -4.914 0.216 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.482 -4.411 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.770 -2.861 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.329 -3.836 1.677 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.058 -1.606 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.073 -2.476 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.581 -3.039 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.644 -4.138 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.987 -2.016 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.557 -3.655 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.435 -2.237 -1.175 1.00 0.00 H new ATOM 576 N ARG A 39 -6.296 -6.590 1.220 1.00 0.00 N ATOM 577 CA ARG A 39 -5.472 -7.585 1.873 1.00 0.00 C ATOM 578 C ARG A 39 -5.210 -8.774 0.943 1.00 0.00 C ATOM 579 O ARG A 39 -4.079 -9.236 0.841 1.00 0.00 O ATOM 580 CB ARG A 39 -6.173 -8.031 3.170 1.00 0.00 C ATOM 581 CG ARG A 39 -5.277 -8.702 4.198 1.00 0.00 C ATOM 582 CD ARG A 39 -4.881 -10.096 3.771 1.00 0.00 C ATOM 583 NE ARG A 39 -4.034 -10.771 4.756 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.689 -12.056 4.679 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.197 -12.827 3.725 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -2.847 -12.575 5.566 1.00 0.00 N ATOM 0 H ARG A 39 -7.273 -6.607 1.514 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.501 -7.155 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.636 -7.159 3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.977 -8.719 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.381 -8.099 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.794 -8.748 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.780 -10.689 3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.353 -10.043 2.819 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.688 -10.227 5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.853 -12.436 3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.931 -13.810 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.463 -11.990 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.584 -13.559 5.505 1.00 0.00 H new ATOM 600 N SER A 40 -6.245 -9.257 0.260 1.00 0.00 N ATOM 601 CA SER A 40 -6.119 -10.440 -0.592 1.00 0.00 C ATOM 602 C SER A 40 -5.267 -10.165 -1.829 1.00 0.00 C ATOM 603 O SER A 40 -4.501 -11.022 -2.262 1.00 0.00 O ATOM 604 CB SER A 40 -7.495 -10.958 -1.007 1.00 0.00 C ATOM 605 OG SER A 40 -8.234 -11.383 0.126 1.00 0.00 O ATOM 0 H SER A 40 -7.180 -8.849 0.279 1.00 0.00 H new ATOM 0 HA SER A 40 -5.614 -11.206 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.042 -10.173 -1.530 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.381 -11.787 -1.705 1.00 0.00 H new ATOM 0 HG SER A 40 -8.779 -10.640 0.458 1.00 0.00 H new ATOM 611 N LEU A 41 -5.398 -8.972 -2.390 1.00 0.00 N ATOM 612 CA LEU A 41 -4.605 -8.578 -3.541 1.00 0.00 C ATOM 613 C LEU A 41 -3.132 -8.520 -3.171 1.00 0.00 C ATOM 614 O LEU A 41 -2.275 -8.903 -3.956 1.00 0.00 O ATOM 615 CB LEU A 41 -5.124 -7.235 -4.051 1.00 0.00 C ATOM 616 CG LEU A 41 -4.621 -6.769 -5.418 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.470 -5.797 -5.262 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.207 -7.952 -6.288 1.00 0.00 C ATOM 0 H LEU A 41 -6.050 -8.258 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.700 -9.313 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.212 -7.285 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.866 -6.472 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.443 -6.256 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.127 -5.478 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.802 -4.928 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.651 -6.285 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.854 -7.588 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.408 -8.505 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.063 -8.610 -6.439 1.00 0.00 H new ATOM 630 N PHE A 42 -2.837 -8.076 -1.970 1.00 0.00 N ATOM 631 CA PHE A 42 -1.467 -8.081 -1.495 1.00 0.00 C ATOM 632 C PHE A 42 -1.088 -9.466 -0.994 1.00 0.00 C ATOM 633 O PHE A 42 0.081 -9.837 -0.954 1.00 0.00 O ATOM 634 CB PHE A 42 -1.269 -6.992 -0.445 1.00 0.00 C ATOM 635 CG PHE A 42 -1.198 -5.634 -1.081 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.320 -5.079 -1.683 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.002 -4.929 -1.122 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.247 -3.859 -2.309 1.00 0.00 C ATOM 639 CE2 PHE A 42 0.064 -3.698 -1.744 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.057 -3.172 -2.338 1.00 0.00 C ATOM 0 H PHE A 42 -3.520 -7.709 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.792 -7.850 -2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.091 -7.019 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.353 -7.184 0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.259 -5.612 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.883 -5.347 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.124 -3.439 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.995 -3.150 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.003 -2.213 -2.831 1.00 0.00 H new ATOM 650 N SER A 43 -2.096 -10.256 -0.669 1.00 0.00 N ATOM 651 CA SER A 43 -1.886 -11.649 -0.336 1.00 0.00 C ATOM 652 C SER A 43 -1.565 -12.440 -1.609 1.00 0.00 C ATOM 653 O SER A 43 -1.166 -13.602 -1.549 1.00 0.00 O ATOM 654 CB SER A 43 -3.120 -12.228 0.360 1.00 0.00 C ATOM 655 OG SER A 43 -2.894 -13.557 0.802 1.00 0.00 O ATOM 0 H SER A 43 -3.069 -9.953 -0.629 1.00 0.00 H new ATOM 0 HA SER A 43 -1.044 -11.726 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.386 -11.601 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.967 -12.211 -0.326 1.00 0.00 H new ATOM 0 HG SER A 43 -2.269 -14.003 0.193 1.00 0.00 H new ATOM 661 N SER A 44 -1.748 -11.802 -2.766 1.00 0.00 N ATOM 662 CA SER A 44 -1.390 -12.418 -4.032 1.00 0.00 C ATOM 663 C SER A 44 0.125 -12.380 -4.188 1.00 0.00 C ATOM 664 O SER A 44 0.733 -13.286 -4.758 1.00 0.00 O ATOM 665 CB SER A 44 -2.078 -11.705 -5.207 1.00 0.00 C ATOM 666 OG SER A 44 -1.342 -10.570 -5.632 1.00 0.00 O ATOM 0 H SER A 44 -2.140 -10.864 -2.847 1.00 0.00 H new ATOM 0 HA SER A 44 -1.731 -13.453 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.190 -12.400 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.081 -11.399 -4.910 1.00 0.00 H new ATOM 0 HG SER A 44 -1.258 -9.937 -4.888 1.00 0.00 H new ATOM 672 N ILE A 45 0.724 -11.312 -3.670 1.00 0.00 N ATOM 673 CA ILE A 45 2.179 -11.189 -3.612 1.00 0.00 C ATOM 674 C ILE A 45 2.766 -12.231 -2.668 1.00 0.00 C ATOM 675 O ILE A 45 3.752 -12.894 -2.989 1.00 0.00 O ATOM 676 CB ILE A 45 2.590 -9.771 -3.157 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.343 -8.779 -4.288 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.053 -9.714 -2.718 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.388 -8.836 -5.361 1.00 0.00 C ATOM 0 H ILE A 45 0.221 -10.514 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 45 2.573 -11.361 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 45 1.980 -9.506 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.366 -8.977 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.308 -7.770 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.300 -8.699 -2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.210 -10.398 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.694 -10.004 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.154 -8.106 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.364 -8.609 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.407 -9.835 -5.797 1.00 0.00 H new ATOM 691 N GLY A 46 2.131 -12.389 -1.526 1.00 0.00 N ATOM 692 CA GLY A 46 2.604 -13.320 -0.529 1.00 0.00 C ATOM 693 C GLY A 46 1.748 -13.261 0.707 1.00 0.00 C ATOM 694 O GLY A 46 0.541 -13.054 0.615 1.00 0.00 O ATOM 0 H GLY A 46 1.284 -11.883 -1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.594 -14.331 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.638 -13.090 -0.272 1.00 0.00 H new ATOM 698 N GLU A 47 2.345 -13.450 1.862 1.00 0.00 N ATOM 699 CA GLU A 47 1.626 -13.298 3.100 1.00 0.00 C ATOM 700 C GLU A 47 1.650 -11.850 3.557 1.00 0.00 C ATOM 701 O GLU A 47 2.610 -11.116 3.326 1.00 0.00 O ATOM 702 CB GLU A 47 2.216 -14.195 4.161 1.00 0.00 C ATOM 703 CG GLU A 47 3.683 -14.007 4.260 1.00 0.00 C ATOM 704 CD GLU A 47 4.472 -15.012 3.446 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.846 -16.067 4.003 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.721 -14.757 2.250 1.00 0.00 O1- ATOM 0 H GLU A 47 3.326 -13.709 1.967 1.00 0.00 H new ATOM 0 HA GLU A 47 0.588 -13.588 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.752 -13.979 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.994 -15.236 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.937 -13.001 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.982 -14.082 5.305 1.00 0.00 H new ATOM 713 N VAL A 48 0.599 -11.473 4.236 1.00 0.00 N ATOM 714 CA VAL A 48 0.382 -10.102 4.660 1.00 0.00 C ATOM 715 C VAL A 48 0.131 -10.073 6.139 1.00 0.00 C ATOM 716 O VAL A 48 -0.795 -10.703 6.651 1.00 0.00 O ATOM 717 CB VAL A 48 -0.796 -9.443 3.897 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.198 -8.124 4.537 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.435 -9.233 2.437 1.00 0.00 C ATOM 0 H VAL A 48 -0.144 -12.113 4.517 1.00 0.00 H new ATOM 0 HA VAL A 48 1.278 -9.526 4.428 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.649 -10.119 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.026 -7.686 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.507 -8.299 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.350 -7.440 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.274 -8.770 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.438 -8.584 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.209 -10.195 1.976 1.00 0.00 H new ATOM 729 N GLU A 49 1.001 -9.341 6.803 1.00 0.00 N ATOM 730 CA GLU A 49 1.010 -9.238 8.231 1.00 0.00 C ATOM 731 C GLU A 49 -0.290 -8.612 8.719 1.00 0.00 C ATOM 732 O GLU A 49 -0.951 -9.140 9.611 1.00 0.00 O ATOM 733 CB GLU A 49 2.213 -8.427 8.643 1.00 0.00 C ATOM 734 CG GLU A 49 2.532 -8.532 10.114 1.00 0.00 C ATOM 735 CD GLU A 49 1.713 -7.604 10.987 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.523 -6.431 10.605 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.272 -8.038 12.070 1.00 0.00 O1- ATOM 0 H GLU A 49 1.732 -8.794 6.348 1.00 0.00 H new ATOM 0 HA GLU A 49 1.080 -10.226 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.078 -8.756 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.040 -7.381 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.368 -9.559 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.590 -8.316 10.263 1.00 0.00 H new ATOM 744 N SER A 50 -0.666 -7.498 8.097 1.00 0.00 N ATOM 745 CA SER A 50 -1.928 -6.832 8.413 1.00 0.00 C ATOM 746 C SER A 50 -2.270 -5.797 7.348 1.00 0.00 C ATOM 747 O SER A 50 -1.438 -4.965 7.000 1.00 0.00 O ATOM 748 CB SER A 50 -1.851 -6.166 9.791 1.00 0.00 C ATOM 749 OG SER A 50 -0.731 -5.298 9.888 1.00 0.00 O ATOM 0 H SER A 50 -0.116 -7.037 7.372 1.00 0.00 H new ATOM 0 HA SER A 50 -2.716 -7.585 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.766 -5.603 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.787 -6.932 10.564 1.00 0.00 H new ATOM 0 HG SER A 50 0.015 -5.772 10.311 1.00 0.00 H new ATOM 755 N ALA A 51 -3.489 -5.848 6.825 1.00 0.00 N ATOM 756 CA ALA A 51 -3.899 -4.894 5.807 1.00 0.00 C ATOM 757 C ALA A 51 -5.105 -4.090 6.256 1.00 0.00 C ATOM 758 O ALA A 51 -6.138 -4.642 6.640 1.00 0.00 O ATOM 759 CB ALA A 51 -4.170 -5.586 4.484 1.00 0.00 C ATOM 0 H ALA A 51 -4.201 -6.530 7.085 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.073 -4.198 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.475 -4.847 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.265 -6.089 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.966 -6.320 4.613 1.00 0.00 H new ATOM 765 N LYS A 52 -4.950 -2.779 6.228 1.00 0.00 N ATOM 766 CA LYS A 52 -5.979 -1.866 6.651 1.00 0.00 C ATOM 767 C LYS A 52 -6.565 -1.132 5.454 1.00 0.00 C ATOM 768 O LYS A 52 -5.845 -0.774 4.522 1.00 0.00 O ATOM 769 CB LYS A 52 -5.365 -0.862 7.616 1.00 0.00 C ATOM 770 CG LYS A 52 -6.346 0.130 8.198 1.00 0.00 C ATOM 771 CD LYS A 52 -5.602 1.293 8.808 1.00 0.00 C ATOM 772 CE LYS A 52 -4.799 0.874 10.025 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.664 0.321 11.102 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.097 -2.321 5.907 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.780 -2.421 7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.890 -1.406 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.578 -0.314 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.020 0.487 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.962 -0.356 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.934 1.727 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.312 2.070 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.062 0.126 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.247 1.733 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.134 0.301 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.507 0.920 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.956 -0.645 10.851 1.00 0.00 H new ATOM 787 N LEU A 53 -7.862 -0.911 5.493 1.00 0.00 N ATOM 788 CA LEU A 53 -8.545 -0.130 4.480 1.00 0.00 C ATOM 789 C LEU A 53 -9.148 1.088 5.140 1.00 0.00 C ATOM 790 O LEU A 53 -9.733 0.989 6.219 1.00 0.00 O ATOM 791 CB LEU A 53 -9.644 -0.949 3.813 1.00 0.00 C ATOM 792 CG LEU A 53 -10.532 -0.178 2.841 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.148 -0.476 1.403 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.985 -0.519 3.093 1.00 0.00 C ATOM 0 H LEU A 53 -8.474 -1.267 6.227 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.831 0.167 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.182 -1.779 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.274 -1.382 4.590 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.388 0.890 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.796 0.086 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.111 -0.185 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.261 -1.543 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.615 0.034 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.138 -1.589 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.250 -0.249 4.115 1.00 0.00 H new ATOM 806 N ILE A 54 -9.006 2.229 4.508 1.00 0.00 N ATOM 807 CA ILE A 54 -9.476 3.461 5.100 1.00 0.00 C ATOM 808 C ILE A 54 -10.793 3.881 4.477 1.00 0.00 C ATOM 809 O ILE A 54 -10.877 4.086 3.266 1.00 0.00 O ATOM 810 CB ILE A 54 -8.460 4.599 4.925 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.065 4.167 5.404 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.927 5.840 5.671 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.018 3.672 6.834 1.00 0.00 C ATOM 0 H ILE A 54 -8.572 2.331 3.591 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.611 3.272 6.165 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.389 4.838 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.697 3.378 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.382 5.011 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.198 6.640 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.892 6.160 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.026 5.611 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.996 3.389 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.352 4.464 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.672 2.806 6.941 1.00 0.00 H new ATOM 934 N SER A 62 -14.764 3.890 1.162 1.00 0.00 N ATOM 935 CA SER A 62 -13.316 3.899 1.203 1.00 0.00 C ATOM 936 C SER A 62 -12.781 5.230 0.684 1.00 0.00 C ATOM 937 O SER A 62 -13.269 5.759 -0.312 1.00 0.00 O ATOM 938 CB SER A 62 -12.783 2.738 0.366 1.00 0.00 C ATOM 939 OG SER A 62 -13.565 1.574 0.583 1.00 0.00 O ATOM 0 HA SER A 62 -12.979 3.780 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.801 3.004 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.743 2.540 0.627 1.00 0.00 H new ATOM 0 HG SER A 62 -13.024 0.778 0.400 1.00 0.00 H new ATOM 945 N LEU A 63 -11.784 5.770 1.369 1.00 0.00 N ATOM 946 CA LEU A 63 -11.256 7.086 1.034 1.00 0.00 C ATOM 947 C LEU A 63 -10.133 6.985 0.013 1.00 0.00 C ATOM 948 O LEU A 63 -9.454 7.967 -0.283 1.00 0.00 O ATOM 949 CB LEU A 63 -10.779 7.801 2.297 1.00 0.00 C ATOM 950 CG LEU A 63 -11.875 8.069 3.331 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.330 8.863 4.504 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.047 8.798 2.690 1.00 0.00 C ATOM 0 H LEU A 63 -11.324 5.319 2.160 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.058 7.671 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.996 7.203 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.327 8.751 2.012 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.229 7.109 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.128 9.041 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.527 8.301 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.943 9.818 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.817 8.980 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.705 9.749 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.460 8.187 1.887 1.00 0.00 H new ATOM 964 N GLY A 64 -9.941 5.790 -0.518 1.00 0.00 N ATOM 965 CA GLY A 64 -9.010 5.608 -1.608 1.00 0.00 C ATOM 966 C GLY A 64 -7.587 5.374 -1.159 1.00 0.00 C ATOM 967 O GLY A 64 -6.653 5.683 -1.890 1.00 0.00 O ATOM 0 H GLY A 64 -10.415 4.940 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.334 4.762 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.039 6.489 -2.250 1.00 0.00 H new ATOM 971 N TYR A 65 -7.407 4.835 0.036 1.00 0.00 N ATOM 972 CA TYR A 65 -6.076 4.454 0.488 1.00 0.00 C ATOM 973 C TYR A 65 -6.157 3.503 1.669 1.00 0.00 C ATOM 974 O TYR A 65 -7.202 3.377 2.309 1.00 0.00 O ATOM 975 CB TYR A 65 -5.216 5.683 0.827 1.00 0.00 C ATOM 976 CG TYR A 65 -5.580 6.406 2.095 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.752 6.328 3.201 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.726 7.180 2.181 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.053 7.001 4.363 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.040 7.857 3.341 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.199 7.767 4.432 1.00 0.00 C ATOM 982 OH TYR A 65 -6.501 8.444 5.594 1.00 0.00 O ATOM 0 H TYR A 65 -8.155 4.652 0.705 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.587 3.934 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.175 5.367 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.280 6.388 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.855 5.729 3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.383 7.254 1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.396 6.930 5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.938 8.454 3.395 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.340 8.937 5.477 1.00 0.00 H new ATOM 992 N GLY A 66 -5.056 2.818 1.926 1.00 0.00 N ATOM 993 CA GLY A 66 -4.989 1.873 3.015 1.00 0.00 C ATOM 994 C GLY A 66 -3.559 1.519 3.352 1.00 0.00 C ATOM 995 O GLY A 66 -2.626 2.059 2.752 1.00 0.00 O ATOM 0 H GLY A 66 -4.193 2.903 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.478 2.293 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.536 0.969 2.748 1.00 0.00 H new ATOM 999 N PHE A 67 -3.385 0.611 4.296 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.061 0.262 4.791 1.00 0.00 C ATOM 1001 C PHE A 67 -1.934 -1.244 4.968 1.00 0.00 C ATOM 1002 O PHE A 67 -2.521 -1.813 5.883 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.802 0.950 6.140 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.792 2.451 6.079 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.611 3.141 5.854 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -2.962 3.174 6.248 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.600 4.520 5.802 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -2.957 4.552 6.196 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.774 5.228 5.971 1.00 0.00 C ATOM 0 H PHE A 67 -4.148 0.098 4.739 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.327 0.600 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.567 0.632 6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.844 0.608 6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.310 2.594 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.891 2.651 6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.327 5.046 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.877 5.102 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.767 6.307 5.927 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.170 -1.886 4.102 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.907 -3.303 4.240 1.00 0.00 C ATOM 1021 C VAL A 68 0.546 -3.550 4.611 1.00 0.00 C ATOM 1022 O VAL A 68 1.471 -3.271 3.852 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.335 -4.110 2.984 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.543 -3.198 1.799 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.355 -5.230 2.634 1.00 0.00 C ATOM 0 H VAL A 68 -0.722 -1.447 3.297 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.526 -3.671 5.059 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.283 -4.586 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.842 -3.789 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.323 -2.473 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.614 -2.673 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.707 -5.758 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.628 -4.804 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.286 -5.927 3.469 1.00 0.00 H new ATOM 1035 N ASN A 69 0.723 -4.015 5.827 1.00 0.00 N ATOM 1036 CA ASN A 69 2.017 -4.402 6.336 1.00 0.00 C ATOM 1037 C ASN A 69 2.323 -5.815 5.892 1.00 0.00 C ATOM 1038 O ASN A 69 1.513 -6.719 6.093 1.00 0.00 O ATOM 1039 CB ASN A 69 2.012 -4.352 7.856 1.00 0.00 C ATOM 1040 CG ASN A 69 3.405 -4.405 8.441 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.341 -3.820 7.908 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.557 -5.132 9.527 1.00 0.00 N ATOM 0 H ASN A 69 -0.037 -4.136 6.497 1.00 0.00 H new ATOM 0 HA ASN A 69 2.773 -3.716 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.518 -3.438 8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.427 -5.187 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.479 -5.224 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.753 -5.604 9.941 1.00 0.00 H new ATOM 1049 N TYR A 70 3.466 -6.012 5.277 1.00 0.00 N ATOM 1050 CA TYR A 70 3.891 -7.343 4.914 1.00 0.00 C ATOM 1051 C TYR A 70 4.718 -7.958 6.025 1.00 0.00 C ATOM 1052 O TYR A 70 5.166 -7.265 6.938 1.00 0.00 O ATOM 1053 CB TYR A 70 4.707 -7.320 3.626 1.00 0.00 C ATOM 1054 CG TYR A 70 3.891 -7.376 2.361 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.763 -6.269 1.536 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.259 -8.550 1.988 1.00 0.00 C ATOM 1057 CE1 TYR A 70 3.024 -6.339 0.373 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.521 -8.626 0.828 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.408 -7.519 0.025 1.00 0.00 C ATOM 1060 OH TYR A 70 1.675 -7.593 -1.133 1.00 0.00 O ATOM 0 H TYR A 70 4.116 -5.270 5.018 1.00 0.00 H new ATOM 0 HA TYR A 70 2.997 -7.947 4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.312 -6.413 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.397 -8.164 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.247 -5.342 1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.346 -9.422 2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.929 -5.471 -0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.035 -9.550 0.552 1.00 0.00 H new ATOM 0 HH TYR A 70 1.095 -8.383 -1.103 1.00 0.00 H new ATOM 1070 N VAL A 71 4.907 -9.266 5.943 1.00 0.00 N ATOM 1071 CA VAL A 71 5.752 -9.976 6.887 1.00 0.00 C ATOM 1072 C VAL A 71 7.219 -9.760 6.507 1.00 0.00 C ATOM 1073 O VAL A 71 8.135 -10.036 7.282 1.00 0.00 O ATOM 1074 CB VAL A 71 5.448 -11.489 6.892 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.955 -11.729 7.059 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.969 -12.150 5.625 1.00 0.00 C ATOM 0 H VAL A 71 4.484 -9.858 5.229 1.00 0.00 H new ATOM 0 HA VAL A 71 5.552 -9.585 7.885 1.00 0.00 H new ATOM 0 HB VAL A 71 5.963 -11.942 7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.757 -12.801 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.620 -11.297 8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.417 -11.262 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.743 -13.216 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.490 -11.699 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.048 -12.009 5.558 1.00 0.00 H new ATOM 1086 N THR A 72 7.403 -9.256 5.293 1.00 0.00 N ATOM 1087 CA THR A 72 8.712 -9.064 4.690 1.00 0.00 C ATOM 1088 C THR A 72 8.795 -7.706 4.010 1.00 0.00 C ATOM 1089 O THR A 72 7.792 -7.184 3.525 1.00 0.00 O ATOM 1090 CB THR A 72 8.952 -10.120 3.604 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.712 -10.400 2.949 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.555 -11.395 4.159 1.00 0.00 C ATOM 0 H THR A 72 6.632 -8.965 4.691 1.00 0.00 H new ATOM 0 HA THR A 72 9.453 -9.142 5.486 1.00 0.00 H new ATOM 0 HB THR A 72 9.674 -9.718 2.893 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.874 -10.983 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.705 -12.109 3.349 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.514 -11.171 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.881 -11.823 4.901 1.00 0.00 H new ATOM 1100 N ALA A 73 9.989 -7.141 3.963 1.00 0.00 N ATOM 1101 CA ALA A 73 10.234 -5.972 3.137 1.00 0.00 C ATOM 1102 C ALA A 73 10.499 -6.442 1.712 1.00 0.00 C ATOM 1103 O ALA A 73 10.442 -5.670 0.753 1.00 0.00 O ATOM 1104 CB ALA A 73 11.399 -5.158 3.675 1.00 0.00 C ATOM 0 H ALA A 73 10.801 -7.471 4.485 1.00 0.00 H new ATOM 0 HA ALA A 73 9.361 -5.319 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.561 -4.289 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.174 -4.828 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.299 -5.773 3.685 1.00 0.00 H new ATOM 1110 N LYS A 74 10.779 -7.736 1.608 1.00 0.00 N ATOM 1111 CA LYS A 74 10.935 -8.426 0.337 1.00 0.00 C ATOM 1112 C LYS A 74 9.634 -8.396 -0.467 1.00 0.00 C ATOM 1113 O LYS A 74 9.616 -7.949 -1.613 1.00 0.00 O ATOM 1114 CB LYS A 74 11.389 -9.860 0.619 1.00 0.00 C ATOM 1115 CG LYS A 74 11.246 -10.801 -0.552 1.00 0.00 C ATOM 1116 CD LYS A 74 10.256 -11.897 -0.231 1.00 0.00 C ATOM 1117 CE LYS A 74 9.705 -12.506 -1.497 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.618 -13.479 -1.214 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.906 -8.343 2.418 1.00 0.00 H new ATOM 0 HA LYS A 74 11.688 -7.922 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.433 -9.843 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.813 -10.252 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.914 -10.249 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.215 -11.237 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.741 -12.668 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.441 -11.493 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.326 -11.716 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.508 -13.006 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.743 -14.322 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.652 -13.755 -0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.698 -13.042 -1.422 1.00 0.00 H new ATOM 1132 N ASP A 75 8.546 -8.848 0.145 1.00 0.00 N ATOM 1133 CA ASP A 75 7.242 -8.862 -0.520 1.00 0.00 C ATOM 1134 C ASP A 75 6.646 -7.462 -0.577 1.00 0.00 C ATOM 1135 O ASP A 75 5.735 -7.202 -1.356 1.00 0.00 O ATOM 1136 CB ASP A 75 6.287 -9.834 0.177 1.00 0.00 C ATOM 1137 CG ASP A 75 6.690 -11.279 -0.039 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.340 -11.864 0.853 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.397 -11.831 -1.117 1.00 0.00 O1- ATOM 0 H ASP A 75 8.537 -9.210 1.099 1.00 0.00 H new ATOM 0 HA ASP A 75 7.388 -9.207 -1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.267 -9.619 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.275 -9.680 -0.198 1.00 0.00 H new ATOM 1144 N ALA A 76 7.173 -6.557 0.242 1.00 0.00 N ATOM 1145 CA ALA A 76 6.792 -5.149 0.167 1.00 0.00 C ATOM 1146 C ALA A 76 7.211 -4.578 -1.180 1.00 0.00 C ATOM 1147 O ALA A 76 6.383 -4.096 -1.950 1.00 0.00 O ATOM 1148 CB ALA A 76 7.428 -4.357 1.305 1.00 0.00 C ATOM 0 H ALA A 76 7.862 -6.771 0.963 1.00 0.00 H new ATOM 0 HA ALA A 76 5.709 -5.070 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.131 -3.311 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.094 -4.762 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.513 -4.432 1.238 1.00 0.00 H new ATOM 1154 N GLU A 77 8.503 -4.666 -1.466 1.00 0.00 N ATOM 1155 CA GLU A 77 9.040 -4.280 -2.763 1.00 0.00 C ATOM 1156 C GLU A 77 8.366 -5.078 -3.871 1.00 0.00 C ATOM 1157 O GLU A 77 8.094 -4.551 -4.949 1.00 0.00 O ATOM 1158 CB GLU A 77 10.550 -4.520 -2.771 1.00 0.00 C ATOM 1159 CG GLU A 77 11.193 -4.428 -4.142 1.00 0.00 C ATOM 1160 CD GLU A 77 12.672 -4.726 -4.093 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.474 -3.773 -4.080 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.039 -5.921 -4.050 1.00 0.00 O1- ATOM 0 H GLU A 77 9.205 -5.005 -0.809 1.00 0.00 H new ATOM 0 HA GLU A 77 8.843 -3.223 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.024 -3.793 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.751 -5.507 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.704 -5.128 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.038 -3.429 -4.549 1.00 0.00 H new ATOM 1169 N ARG A 78 8.061 -6.339 -3.581 1.00 0.00 N ATOM 1170 CA ARG A 78 7.444 -7.216 -4.552 1.00 0.00 C ATOM 1171 C ARG A 78 6.049 -6.705 -4.888 1.00 0.00 C ATOM 1172 O ARG A 78 5.603 -6.788 -6.025 1.00 0.00 O ATOM 1173 CB ARG A 78 7.397 -8.638 -3.999 1.00 0.00 C ATOM 1174 CG ARG A 78 6.932 -9.681 -4.996 1.00 0.00 C ATOM 1175 CD ARG A 78 7.118 -11.086 -4.450 1.00 0.00 C ATOM 1176 NE ARG A 78 6.579 -12.103 -5.351 1.00 0.00 N ATOM 1177 CZ ARG A 78 7.208 -13.233 -5.674 1.00 0.00 C ATOM 1178 NH1 ARG A 78 8.437 -13.476 -5.229 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.610 -14.112 -6.465 1.00 0.00 N ATOM 0 H ARG A 78 8.235 -6.772 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 78 8.031 -7.227 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.391 -8.910 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.733 -8.657 -3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.881 -9.517 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.490 -9.573 -5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.179 -11.273 -4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.627 -11.165 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 78 5.660 -11.937 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.908 -12.794 -4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.909 -14.344 -5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.674 -13.922 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.086 -14.979 -6.716 1.00 0.00 H new ATOM 1193 N ALA A 79 5.370 -6.143 -3.898 1.00 0.00 N ATOM 1194 CA ALA A 79 4.057 -5.565 -4.125 1.00 0.00 C ATOM 1195 C ALA A 79 4.167 -4.265 -4.896 1.00 0.00 C ATOM 1196 O ALA A 79 3.315 -3.946 -5.713 1.00 0.00 O ATOM 1197 CB ALA A 79 3.319 -5.335 -2.814 1.00 0.00 C ATOM 0 H ALA A 79 5.705 -6.076 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 79 3.484 -6.277 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.340 -4.902 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.194 -6.285 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.894 -4.653 -2.188 1.00 0.00 H new ATOM 1203 N ILE A 80 5.217 -3.510 -4.638 1.00 0.00 N ATOM 1204 CA ILE A 80 5.396 -2.236 -5.307 1.00 0.00 C ATOM 1205 C ILE A 80 5.774 -2.392 -6.771 1.00 0.00 C ATOM 1206 O ILE A 80 5.418 -1.565 -7.606 1.00 0.00 O ATOM 1207 CB ILE A 80 6.450 -1.392 -4.612 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.130 -1.279 -3.129 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.503 -0.021 -5.245 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.187 -0.563 -2.342 1.00 0.00 C ATOM 0 H ILE A 80 5.954 -3.754 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 80 4.430 -1.734 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 80 7.424 -1.869 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.182 -0.755 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.996 -2.279 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.260 0.582 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.756 -0.117 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.531 0.463 -5.147 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.893 -0.519 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.132 -1.098 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.305 0.449 -2.728 1.00 0.00 H new ATOM 1222 N ASN A 81 6.502 -3.430 -7.102 1.00 0.00 N ATOM 1223 CA ASN A 81 6.880 -3.618 -8.485 1.00 0.00 C ATOM 1224 C ASN A 81 5.812 -4.389 -9.237 1.00 0.00 C ATOM 1225 O ASN A 81 5.630 -4.215 -10.442 1.00 0.00 O ATOM 1226 CB ASN A 81 8.248 -4.290 -8.599 1.00 0.00 C ATOM 1227 CG ASN A 81 8.377 -5.619 -7.874 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.488 -6.466 -7.913 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.498 -5.803 -7.195 1.00 0.00 N ATOM 0 H ASN A 81 6.839 -4.142 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 81 6.965 -2.635 -8.949 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.472 -4.447 -9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.004 -3.607 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.646 -6.671 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.214 -5.076 -7.186 1.00 0.00 H new ATOM 1236 N THR A 82 5.101 -5.230 -8.514 1.00 0.00 N ATOM 1237 CA THR A 82 4.058 -6.041 -9.096 1.00 0.00 C ATOM 1238 C THR A 82 2.684 -5.355 -9.022 1.00 0.00 C ATOM 1239 O THR A 82 2.089 -5.016 -10.045 1.00 0.00 O ATOM 1240 CB THR A 82 4.010 -7.409 -8.396 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.164 -8.179 -8.753 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.737 -8.182 -8.720 1.00 0.00 C ATOM 0 H THR A 82 5.231 -5.368 -7.512 1.00 0.00 H new ATOM 0 HA THR A 82 4.294 -6.179 -10.151 1.00 0.00 H new ATOM 0 HB THR A 82 4.008 -7.227 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.975 -7.685 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.752 -9.141 -8.202 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.870 -7.607 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.678 -8.352 -9.795 1.00 0.00 H new ATOM 1250 N LEU A 83 2.211 -5.130 -7.800 1.00 0.00 N ATOM 1251 CA LEU A 83 0.838 -4.690 -7.556 1.00 0.00 C ATOM 1252 C LEU A 83 0.635 -3.195 -7.762 1.00 0.00 C ATOM 1253 O LEU A 83 -0.486 -2.747 -7.972 1.00 0.00 O ATOM 1254 CB LEU A 83 0.427 -5.039 -6.132 1.00 0.00 C ATOM 1255 CG LEU A 83 0.266 -6.530 -5.837 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.248 -6.730 -4.427 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.662 -7.202 -6.834 1.00 0.00 C ATOM 0 H LEU A 83 2.766 -5.247 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 83 0.220 -5.211 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.170 -4.630 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.517 -4.540 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 83 1.247 -6.995 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.359 -7.796 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.459 -6.300 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.215 -6.238 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.751 -8.261 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.646 -6.735 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.256 -7.093 -7.840 1.00 0.00 H new ATOM 1269 N ASN A 84 1.692 -2.412 -7.654 1.00 0.00 N ATOM 1270 CA ASN A 84 1.568 -0.972 -7.821 1.00 0.00 C ATOM 1271 C ASN A 84 1.154 -0.635 -9.251 1.00 0.00 C ATOM 1272 O ASN A 84 1.922 -0.807 -10.197 1.00 0.00 O ATOM 1273 CB ASN A 84 2.884 -0.306 -7.421 1.00 0.00 C ATOM 1274 CG ASN A 84 2.880 1.203 -7.530 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.831 1.839 -7.542 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.071 1.782 -7.559 1.00 0.00 N ATOM 0 H ASN A 84 2.636 -2.741 -7.454 1.00 0.00 H new ATOM 0 HA ASN A 84 0.784 -0.585 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.120 -0.583 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.683 -0.701 -8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.143 2.799 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.916 1.211 -7.547 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.087 -0.173 -9.385 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.695 0.027 -10.687 1.00 0.00 C ATOM 1285 C GLY A 85 -1.586 -1.140 -11.068 1.00 0.00 C ATOM 1286 O GLY A 85 -1.781 -1.426 -12.247 1.00 0.00 O ATOM 0 H GLY A 85 -0.690 0.070 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.281 0.946 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.084 0.152 -11.439 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.121 -1.822 -10.062 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.014 -2.952 -10.286 1.00 0.00 C ATOM 1292 C LEU A 86 -4.443 -2.464 -10.440 1.00 0.00 C ATOM 1293 O LEU A 86 -4.859 -1.526 -9.760 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.939 -3.930 -9.109 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.691 -5.397 -9.465 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.836 -5.958 -10.290 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.371 -5.544 -10.208 1.00 0.00 C ATOM 0 H LEU A 86 -1.951 -1.611 -9.079 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.703 -3.462 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.144 -3.601 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.873 -3.866 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.635 -5.969 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.634 -7.002 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.763 -5.889 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.934 -5.386 -11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.207 -6.593 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.402 -4.956 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.557 -5.189 -9.577 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.187 -3.098 -11.329 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.594 -2.788 -11.494 1.00 0.00 C ATOM 1311 C ARG A 87 -7.437 -3.576 -10.500 1.00 0.00 C ATOM 1312 O ARG A 87 -7.896 -4.681 -10.785 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.052 -3.083 -12.922 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.548 -2.079 -13.944 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.215 -0.722 -13.774 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.751 0.242 -14.768 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.357 1.399 -15.033 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.488 1.729 -14.416 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.834 2.224 -15.931 1.00 0.00 N ATOM 0 H ARG A 87 -4.839 -3.831 -11.947 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.729 -1.724 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.711 -4.079 -13.205 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.142 -3.100 -12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.468 -1.969 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.739 -2.455 -14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.296 -0.836 -13.856 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.010 -0.340 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.907 0.015 -15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.900 1.094 -13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.943 2.617 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.972 1.971 -16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.294 3.111 -16.138 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.628 -2.998 -9.332 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.506 -3.558 -8.328 1.00 0.00 C ATOM 1335 C LEU A 88 -9.921 -3.079 -8.572 1.00 0.00 C ATOM 1336 O LEU A 88 -10.205 -1.896 -8.416 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.056 -3.144 -6.934 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.290 -4.211 -6.170 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.709 -3.632 -4.898 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.212 -5.373 -5.848 1.00 0.00 C ATOM 0 H LEU A 88 -7.178 -2.126 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.470 -4.645 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.429 -2.256 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.934 -2.860 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.469 -4.571 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.163 -4.408 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.030 -2.816 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.515 -3.254 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.658 -6.136 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.043 -5.020 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.597 -5.799 -6.774 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.797 -3.987 -8.987 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.183 -3.632 -9.283 1.00 0.00 C ATOM 1354 C GLN A 89 -12.223 -2.522 -10.317 1.00 0.00 C ATOM 1355 O GLN A 89 -13.043 -1.603 -10.239 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.889 -3.194 -8.016 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.884 -4.249 -6.925 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.540 -3.780 -5.644 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.456 -2.490 -5.374 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.113 -4.570 -4.897 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.574 -4.973 -9.126 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.696 -4.506 -9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.412 -2.289 -7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.920 -2.935 -8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.400 -5.139 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.855 -4.540 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.158 -5.560 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.544 -4.236 -4.035 1.00 0.00 H new ATOM 1369 N SER A 90 -11.284 -2.610 -11.251 1.00 0.00 N ATOM 1370 CA SER A 90 -11.155 -1.671 -12.361 1.00 0.00 C ATOM 1371 C SER A 90 -10.506 -0.350 -11.931 1.00 0.00 C ATOM 1372 O SER A 90 -10.342 0.561 -12.740 1.00 0.00 O ATOM 1373 CB SER A 90 -12.509 -1.435 -13.001 1.00 0.00 C ATOM 1374 OG SER A 90 -12.959 -2.586 -13.699 1.00 0.00 O ATOM 0 H SER A 90 -10.579 -3.347 -11.260 1.00 0.00 H new ATOM 0 HA SER A 90 -10.489 -2.117 -13.099 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.234 -1.166 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.446 -0.592 -13.689 1.00 0.00 H new ATOM 0 HG SER A 90 -13.835 -2.404 -14.099 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.110 -0.266 -10.667 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.457 0.927 -10.134 1.00 0.00 C ATOM 1382 C LYS A 91 -7.958 0.680 -10.000 1.00 0.00 C ATOM 1383 O LYS A 91 -7.548 -0.354 -9.483 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.041 1.266 -8.762 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.497 2.695 -8.603 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.326 3.648 -8.681 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.446 4.728 -7.631 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.681 5.950 -7.990 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.230 -1.016 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.626 1.760 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.887 0.606 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.291 1.052 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.221 2.938 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.005 2.814 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.394 3.100 -8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.284 4.100 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.496 4.986 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.087 4.345 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.793 6.662 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.674 5.711 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.040 6.333 -8.888 1.00 0.00 H new ATOM 1402 N THR A 92 -7.140 1.617 -10.453 1.00 0.00 N ATOM 1403 CA THR A 92 -5.695 1.437 -10.392 1.00 0.00 C ATOM 1404 C THR A 92 -5.135 1.987 -9.094 1.00 0.00 C ATOM 1405 O THR A 92 -5.291 3.168 -8.794 1.00 0.00 O ATOM 1406 CB THR A 92 -4.976 2.113 -11.565 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.917 2.425 -12.597 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.882 1.211 -12.125 1.00 0.00 C ATOM 0 H THR A 92 -7.445 2.500 -10.862 1.00 0.00 H new ATOM 0 HA THR A 92 -5.517 0.363 -10.448 1.00 0.00 H new ATOM 0 HB THR A 92 -4.515 3.031 -11.201 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.452 2.858 -13.343 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.387 1.713 -12.956 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.153 0.996 -11.344 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.324 0.278 -12.476 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.473 1.123 -8.347 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.945 1.461 -7.037 1.00 0.00 C ATOM 1418 C ILE A 93 -2.467 1.835 -7.110 1.00 0.00 C ATOM 1419 O ILE A 93 -1.811 1.599 -8.125 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.108 0.274 -6.088 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.229 -0.883 -6.565 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.573 -0.134 -6.030 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.367 -2.133 -5.746 1.00 0.00 C ATOM 0 H ILE A 93 -4.285 0.162 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.505 2.320 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.792 0.553 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.477 -1.111 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.187 -0.564 -6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.688 -0.981 -5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.170 0.703 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.911 -0.418 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.712 -2.906 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.090 -1.924 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.400 -2.479 -5.781 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.950 2.426 -6.042 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.534 2.751 -5.970 1.00 0.00 C ATOM 1437 C LYS A 94 0.027 2.346 -4.616 1.00 0.00 C ATOM 1438 O LYS A 94 -0.290 2.955 -3.594 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.293 4.242 -6.217 1.00 0.00 C ATOM 1440 CG LYS A 94 1.180 4.602 -6.329 1.00 0.00 C ATOM 1441 CD LYS A 94 1.378 6.072 -6.668 1.00 0.00 C ATOM 1442 CE LYS A 94 0.740 6.441 -8.004 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.293 5.648 -9.137 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.488 2.689 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.019 2.193 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.803 4.539 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.739 4.815 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.682 4.375 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.647 3.986 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.947 6.687 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.444 6.296 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.337 6.283 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.896 7.502 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.930 6.026 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.331 5.710 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.005 4.654 -9.038 1.00 0.00 H new ATOM 1457 N VAL A 95 0.850 1.309 -4.617 1.00 0.00 N ATOM 1458 CA VAL A 95 1.420 0.780 -3.389 1.00 0.00 C ATOM 1459 C VAL A 95 2.871 1.236 -3.232 1.00 0.00 C ATOM 1460 O VAL A 95 3.619 1.324 -4.207 1.00 0.00 O ATOM 1461 CB VAL A 95 1.319 -0.767 -3.326 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.466 -1.308 -4.458 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.683 -1.418 -3.314 1.00 0.00 C ATOM 0 H VAL A 95 1.139 0.815 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 95 0.837 1.177 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 95 0.830 -1.020 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.414 -2.394 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.539 -0.891 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.909 -1.028 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.569 -2.501 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.223 -1.147 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.242 -1.076 -2.443 1.00 0.00 H new ATOM 1473 N SER A 96 3.243 1.554 -2.002 1.00 0.00 N ATOM 1474 CA SER A 96 4.581 2.014 -1.670 1.00 0.00 C ATOM 1475 C SER A 96 4.809 1.820 -0.180 1.00 0.00 C ATOM 1476 O SER A 96 3.875 1.497 0.539 1.00 0.00 O ATOM 1477 CB SER A 96 4.731 3.497 -2.013 1.00 0.00 C ATOM 1478 OG SER A 96 4.449 3.739 -3.382 1.00 0.00 O ATOM 0 H SER A 96 2.617 1.499 -1.198 1.00 0.00 H new ATOM 0 HA SER A 96 5.312 1.443 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.058 4.087 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.745 3.825 -1.785 1.00 0.00 H new ATOM 0 HG SER A 96 4.460 2.891 -3.873 1.00 0.00 H new ATOM 1484 N TYR A 97 6.031 2.005 0.290 1.00 0.00 N ATOM 1485 CA TYR A 97 6.280 1.970 1.728 1.00 0.00 C ATOM 1486 C TYR A 97 5.583 3.147 2.368 1.00 0.00 C ATOM 1487 O TYR A 97 5.786 4.295 1.954 1.00 0.00 O ATOM 1488 CB TYR A 97 7.767 2.060 2.067 1.00 0.00 C ATOM 1489 CG TYR A 97 8.692 1.455 1.049 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.570 2.263 0.351 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.696 0.093 0.792 1.00 0.00 C ATOM 1492 CE1 TYR A 97 10.435 1.743 -0.579 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.559 -0.448 -0.141 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.432 0.384 -0.827 1.00 0.00 C ATOM 1495 OH TYR A 97 11.302 -0.145 -1.753 1.00 0.00 O ATOM 0 H TYR A 97 6.854 2.178 -0.287 1.00 0.00 H new ATOM 0 HA TYR A 97 5.903 1.018 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.031 3.110 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.935 1.569 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.575 3.326 0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.016 -0.553 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.113 2.392 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.554 -1.510 -0.335 1.00 0.00 H new ATOM 0 HH TYR A 97 11.172 -1.115 -1.807 1.00 0.00 H new ATOM 1505 N ALA A 98 4.750 2.870 3.350 1.00 0.00 N ATOM 1506 CA ALA A 98 4.140 3.922 4.125 1.00 0.00 C ATOM 1507 C ALA A 98 5.185 4.465 5.081 1.00 0.00 C ATOM 1508 O ALA A 98 5.395 3.890 6.149 1.00 0.00 O ATOM 1509 CB ALA A 98 2.920 3.404 4.877 1.00 0.00 C ATOM 0 H ALA A 98 4.482 1.926 3.627 1.00 0.00 H new ATOM 0 HA ALA A 98 3.791 4.719 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.477 4.215 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.188 3.024 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.221 2.602 5.551 1.00 0.00 H new