USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 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 94 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0) USER MOD Set 1.2: A 96 SER OG : rot -120:sc= 0.808 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.263 K(o=-2,f=-6.9!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -2.25! C(o=-3.9!,f=-2!) USER MOD Set 3.1: A 81 ASN : amide:sc= -0.91 K(o=-0.77,f=-5.6!) USER MOD Set 3.2: A 82 THR OG1 : rot 61:sc= 0.144 USER MOD Set 4.1: A 22 THR OG1 : rot -29:sc= 0.292 USER MOD Set 4.2: A 69 ASN :FLIP amide:sc= 0.0719 F(o=-1.1,f=0.36) USER MOD Single : A 23 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= 0.148 K(o=0.15,f=-2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.33! C(o=-2.3!,f=-8.2!) USER MOD Single : A 33 MET CE :methyl 152:sc= -2.88 (180deg=-4.48) USER MOD Single : A 34 THR OG1 : rot -160:sc= -1.26! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.62! C(o=-6.1!,f=-4.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 31:sc= 0.223 USER MOD Single : A 44 SER OG : rot -63:sc= 1.21 USER MOD Single : A 50 SER OG : rot -19:sc= 0.802 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0339 (180deg=-0.278) USER MOD Single : A 62 SER OG : rot -154:sc= 0.457 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -156:sc= -1.87! USER MOD Single : A 72 THR OG1 : rot -150:sc= 1.19 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.81 K(o=-1.8,f=-5.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.17) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 110:sc= -0.0158 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.069 -3.504 6.346 1.00 0.00 N ATOM 302 CA THR A 22 7.080 -4.485 5.950 1.00 0.00 C ATOM 303 C THR A 22 5.737 -3.800 5.743 1.00 0.00 C ATOM 304 O THR A 22 4.833 -4.342 5.116 1.00 0.00 O ATOM 305 CB THR A 22 6.955 -5.573 7.029 1.00 0.00 C ATOM 306 OG1 THR A 22 6.580 -4.975 8.281 1.00 0.00 O ATOM 307 CG2 THR A 22 8.279 -6.301 7.199 1.00 0.00 C ATOM 0 HA THR A 22 7.393 -4.952 5.016 1.00 0.00 H new ATOM 0 HB THR A 22 6.191 -6.286 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.928 -4.060 8.324 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.176 -7.069 7.966 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.562 -6.767 6.255 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.049 -5.590 7.498 1.00 0.00 H new ATOM 315 N ASN A 23 5.638 -2.592 6.272 1.00 0.00 N ATOM 316 CA ASN A 23 4.414 -1.804 6.211 1.00 0.00 C ATOM 317 C ASN A 23 4.280 -1.150 4.845 1.00 0.00 C ATOM 318 O ASN A 23 5.235 -0.560 4.334 1.00 0.00 O ATOM 319 CB ASN A 23 4.475 -0.713 7.273 1.00 0.00 C ATOM 320 CG ASN A 23 3.141 -0.035 7.519 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.079 -0.623 7.318 1.00 0.00 O ATOM 322 ND2 ASN A 23 3.193 1.208 7.970 1.00 0.00 N ATOM 0 H ASN A 23 6.405 -2.127 6.758 1.00 0.00 H new ATOM 0 HA ASN A 23 3.559 -2.458 6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.832 -1.146 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.205 0.038 6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.330 1.716 8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.096 1.658 8.123 1.00 0.00 H new ATOM 329 N LEU A 24 3.101 -1.229 4.265 1.00 0.00 N ATOM 330 CA LEU A 24 2.876 -0.683 2.942 1.00 0.00 C ATOM 331 C LEU A 24 1.629 0.182 2.919 1.00 0.00 C ATOM 332 O LEU A 24 0.521 -0.296 3.165 1.00 0.00 O ATOM 333 CB LEU A 24 2.745 -1.821 1.931 1.00 0.00 C ATOM 334 CG LEU A 24 3.717 -1.786 0.755 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.150 -1.650 1.229 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.565 -3.044 -0.064 1.00 0.00 C ATOM 0 H LEU A 24 2.283 -1.666 4.689 1.00 0.00 H new ATOM 0 HA LEU A 24 3.728 -0.058 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.877 -2.766 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.729 -1.815 1.537 1.00 0.00 H new ATOM 0 HG LEU A 24 3.481 -0.916 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.818 -1.628 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.259 -0.726 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.405 -2.498 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.260 -3.018 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.781 -3.912 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.544 -3.112 -0.440 1.00 0.00 H new ATOM 348 N ILE A 25 1.821 1.456 2.639 1.00 0.00 N ATOM 349 CA ILE A 25 0.717 2.366 2.464 1.00 0.00 C ATOM 350 C ILE A 25 0.183 2.200 1.053 1.00 0.00 C ATOM 351 O ILE A 25 0.938 2.240 0.080 1.00 0.00 O ATOM 352 CB ILE A 25 1.116 3.842 2.712 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.139 4.708 2.726 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.130 4.331 1.684 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.125 6.194 2.810 1.00 0.00 C ATOM 0 H ILE A 25 2.741 1.883 2.528 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.048 2.124 3.202 1.00 0.00 H new ATOM 0 HB ILE A 25 1.605 3.918 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.715 4.505 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.759 4.414 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.385 5.370 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.030 3.718 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.701 4.255 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.823 6.732 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.672 6.415 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.716 6.508 1.950 1.00 0.00 H new ATOM 367 N VAL A 26 -1.100 1.957 0.937 1.00 0.00 N ATOM 368 CA VAL A 26 -1.695 1.771 -0.363 1.00 0.00 C ATOM 369 C VAL A 26 -2.737 2.838 -0.605 1.00 0.00 C ATOM 370 O VAL A 26 -3.838 2.791 -0.059 1.00 0.00 O ATOM 371 CB VAL A 26 -2.322 0.386 -0.507 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.676 0.117 -1.961 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.370 -0.664 0.016 1.00 0.00 C ATOM 0 H VAL A 26 -1.748 1.884 1.721 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.904 1.854 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.240 0.346 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.122 -0.874 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.387 0.867 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.773 0.164 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.822 -1.650 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.441 -0.628 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.159 -0.472 1.068 1.00 0.00 H new ATOM 383 N ASN A 27 -2.366 3.811 -1.401 1.00 0.00 N ATOM 384 CA ASN A 27 -3.232 4.927 -1.703 1.00 0.00 C ATOM 385 C ASN A 27 -4.051 4.608 -2.930 1.00 0.00 C ATOM 386 O ASN A 27 -3.857 3.565 -3.560 1.00 0.00 O ATOM 387 CB ASN A 27 -2.414 6.188 -1.972 1.00 0.00 C ATOM 388 CG ASN A 27 -3.046 7.432 -1.382 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.971 8.010 -1.953 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.513 7.869 -0.255 1.00 0.00 N ATOM 0 H ASN A 27 -1.455 3.853 -1.858 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.883 5.101 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.414 6.062 -1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.299 6.319 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.867 8.721 0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.747 7.354 0.180 1.00 0.00 H new ATOM 397 N TYR A 28 -4.952 5.511 -3.258 1.00 0.00 N ATOM 398 CA TYR A 28 -5.737 5.425 -4.477 1.00 0.00 C ATOM 399 C TYR A 28 -6.566 4.146 -4.531 1.00 0.00 C ATOM 400 O TYR A 28 -6.857 3.625 -5.607 1.00 0.00 O ATOM 401 CB TYR A 28 -4.817 5.537 -5.693 1.00 0.00 C ATOM 402 CG TYR A 28 -4.021 6.822 -5.699 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.659 6.810 -5.460 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.639 8.048 -5.904 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.926 7.979 -5.426 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.915 9.223 -5.879 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.558 9.182 -5.639 1.00 0.00 C ATOM 408 OH TYR A 28 -1.833 10.355 -5.603 1.00 0.00 O ATOM 0 H TYR A 28 -5.163 6.329 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.442 6.256 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.132 4.689 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.414 5.479 -6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.159 5.867 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.703 8.083 -6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.864 7.949 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.409 10.169 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.429 11.114 -5.774 1.00 0.00 H new ATOM 418 N LEU A 29 -6.946 3.649 -3.361 1.00 0.00 N ATOM 419 CA LEU A 29 -7.849 2.511 -3.276 1.00 0.00 C ATOM 420 C LEU A 29 -9.215 2.923 -3.798 1.00 0.00 C ATOM 421 O LEU A 29 -9.585 4.091 -3.706 1.00 0.00 O ATOM 422 CB LEU A 29 -7.989 2.037 -1.826 1.00 0.00 C ATOM 423 CG LEU A 29 -6.707 1.530 -1.170 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.022 0.837 0.144 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.964 0.593 -2.103 1.00 0.00 C ATOM 0 H LEU A 29 -6.643 4.016 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.443 1.695 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.379 2.861 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.732 1.240 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.064 2.386 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.097 0.482 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.511 1.540 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.684 -0.009 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.053 0.243 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.599 -0.260 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.705 1.122 -3.020 1.00 0.00 H new ATOM 437 N PRO A 30 -9.968 1.985 -4.381 1.00 0.00 N ATOM 438 CA PRO A 30 -11.347 2.244 -4.775 1.00 0.00 C ATOM 439 C PRO A 30 -12.186 2.608 -3.558 1.00 0.00 C ATOM 440 O PRO A 30 -12.066 1.974 -2.505 1.00 0.00 O ATOM 441 CB PRO A 30 -11.829 0.914 -5.357 1.00 0.00 C ATOM 442 CG PRO A 30 -10.598 0.130 -5.648 1.00 0.00 C ATOM 443 CD PRO A 30 -9.536 0.620 -4.705 1.00 0.00 C ATOM 0 HA PRO A 30 -11.429 3.071 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.470 0.387 -4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.415 1.073 -6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.777 -0.936 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.288 0.268 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.473 -0.003 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.551 0.611 -5.171 1.00 0.00 H new ATOM 451 N GLN A 31 -13.051 3.601 -3.699 1.00 0.00 N ATOM 452 CA GLN A 31 -13.811 4.108 -2.562 1.00 0.00 C ATOM 453 C GLN A 31 -14.873 3.107 -2.109 1.00 0.00 C ATOM 454 O GLN A 31 -15.563 3.319 -1.109 1.00 0.00 O ATOM 455 CB GLN A 31 -14.452 5.452 -2.898 1.00 0.00 C ATOM 456 CG GLN A 31 -13.439 6.486 -3.353 1.00 0.00 C ATOM 457 CD GLN A 31 -12.249 6.606 -2.420 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.254 5.911 -2.585 1.00 0.00 O ATOM 459 NE2 GLN A 31 -12.330 7.490 -1.441 1.00 0.00 N ATOM 0 H GLN A 31 -13.245 4.071 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.114 4.251 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.196 5.309 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.980 5.828 -2.021 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.086 6.225 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.930 7.456 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.173 8.053 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.549 7.609 -0.795 1.00 0.00 H new ATOM 468 N ASN A 32 -15.000 2.014 -2.855 1.00 0.00 N ATOM 469 CA ASN A 32 -15.955 0.962 -2.539 1.00 0.00 C ATOM 470 C ASN A 32 -15.244 -0.356 -2.223 1.00 0.00 C ATOM 471 O ASN A 32 -15.888 -1.402 -2.104 1.00 0.00 O ATOM 472 CB ASN A 32 -16.915 0.748 -3.716 1.00 0.00 C ATOM 473 CG ASN A 32 -16.209 0.253 -4.969 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.059 0.607 -5.236 1.00 0.00 O ATOM 475 ND2 ASN A 32 -16.887 -0.582 -5.739 1.00 0.00 N ATOM 0 H ASN A 32 -14.445 1.835 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.515 1.277 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.681 0.028 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.425 1.685 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.459 -0.956 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.837 -0.852 -5.485 1.00 0.00 H new ATOM 482 N MET A 33 -13.923 -0.315 -2.101 1.00 0.00 N ATOM 483 CA MET A 33 -13.155 -1.530 -1.857 1.00 0.00 C ATOM 484 C MET A 33 -13.073 -1.843 -0.363 1.00 0.00 C ATOM 485 O MET A 33 -13.285 -0.969 0.473 1.00 0.00 O ATOM 486 CB MET A 33 -11.756 -1.392 -2.436 1.00 0.00 C ATOM 487 CG MET A 33 -11.282 -2.654 -3.124 1.00 0.00 C ATOM 488 SD MET A 33 -9.602 -2.527 -3.747 1.00 0.00 S ATOM 489 CE MET A 33 -8.727 -1.980 -2.286 1.00 0.00 C ATOM 0 H MET A 33 -13.366 0.537 -2.166 1.00 0.00 H new ATOM 0 HA MET A 33 -13.668 -2.356 -2.350 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.742 -0.567 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.060 -1.135 -1.637 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.342 -3.487 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 33 -11.954 -2.884 -3.951 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.692 -2.318 -2.334 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.751 -0.892 -2.234 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.204 -2.397 -1.399 1.00 0.00 H new ATOM 499 N THR A 34 -12.750 -3.095 -0.041 1.00 0.00 N ATOM 500 CA THR A 34 -12.746 -3.562 1.342 1.00 0.00 C ATOM 501 C THR A 34 -11.336 -3.877 1.818 1.00 0.00 C ATOM 502 O THR A 34 -10.402 -3.904 1.011 1.00 0.00 O ATOM 503 CB THR A 34 -13.598 -4.838 1.487 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.926 -5.943 0.867 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.949 -4.650 0.825 1.00 0.00 C ATOM 0 H THR A 34 -12.487 -3.806 -0.724 1.00 0.00 H new ATOM 0 HA THR A 34 -13.163 -2.759 1.949 1.00 0.00 H new ATOM 0 HB THR A 34 -13.742 -5.038 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.573 -6.654 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.538 -5.560 0.936 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.473 -3.818 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.808 -4.436 -0.235 1.00 0.00 H new ATOM 513 N GLN A 35 -11.178 -4.113 3.123 1.00 0.00 N ATOM 514 CA GLN A 35 -9.917 -4.623 3.651 1.00 0.00 C ATOM 515 C GLN A 35 -9.546 -5.892 2.924 1.00 0.00 C ATOM 516 O GLN A 35 -8.427 -6.048 2.488 1.00 0.00 O ATOM 517 CB GLN A 35 -9.990 -4.960 5.141 1.00 0.00 C ATOM 518 CG GLN A 35 -10.294 -3.793 6.059 1.00 0.00 C ATOM 519 CD GLN A 35 -11.740 -3.327 5.998 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.657 -4.239 5.705 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.033 -2.155 6.213 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.902 -3.960 3.825 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.179 -3.834 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.755 -5.723 5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.040 -5.400 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.056 -4.077 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.642 -2.959 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.302 -1.479 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.007 -1.857 6.169 1.00 0.00 H new ATOM 530 N ASP A 36 -10.520 -6.779 2.794 1.00 0.00 N ATOM 531 CA ASP A 36 -10.314 -8.095 2.197 1.00 0.00 C ATOM 532 C ASP A 36 -9.775 -7.981 0.775 1.00 0.00 C ATOM 533 O ASP A 36 -8.929 -8.766 0.365 1.00 0.00 O ATOM 534 CB ASP A 36 -11.638 -8.861 2.199 1.00 0.00 C ATOM 535 CG ASP A 36 -11.530 -10.236 1.571 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.864 -11.113 2.153 1.00 0.00 O ATOM 537 OD2 ASP A 36 -12.127 -10.455 0.494 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.478 -6.609 3.099 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.574 -8.634 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.990 -8.964 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.388 -8.280 1.661 1.00 0.00 H new ATOM 542 N GLU A 37 -10.258 -6.996 0.034 1.00 0.00 N ATOM 543 CA GLU A 37 -9.775 -6.757 -1.320 1.00 0.00 C ATOM 544 C GLU A 37 -8.361 -6.195 -1.284 1.00 0.00 C ATOM 545 O GLU A 37 -7.468 -6.680 -1.981 1.00 0.00 O ATOM 546 CB GLU A 37 -10.694 -5.776 -2.039 1.00 0.00 C ATOM 547 CG GLU A 37 -12.143 -6.227 -2.126 1.00 0.00 C ATOM 548 CD GLU A 37 -12.337 -7.375 -3.092 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.543 -8.515 -2.634 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.281 -7.147 -4.317 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.983 -6.349 0.345 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.769 -7.705 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.655 -4.816 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.315 -5.613 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.486 -6.528 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.763 -5.386 -2.437 1.00 0.00 H new ATOM 557 N LEU A 38 -8.176 -5.173 -0.454 1.00 0.00 N ATOM 558 CA LEU A 38 -6.876 -4.548 -0.248 1.00 0.00 C ATOM 559 C LEU A 38 -5.884 -5.593 0.274 1.00 0.00 C ATOM 560 O LEU A 38 -4.707 -5.590 -0.066 1.00 0.00 O ATOM 561 CB LEU A 38 -7.061 -3.366 0.738 1.00 0.00 C ATOM 562 CG LEU A 38 -5.814 -2.554 1.103 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.104 -3.157 2.299 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.879 -2.456 -0.088 1.00 0.00 C ATOM 0 H LEU A 38 -8.926 -4.755 0.096 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.469 -4.159 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.796 -2.683 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.489 -3.760 1.660 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.130 -1.547 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.223 -2.562 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.778 -3.166 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.800 -4.177 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.998 -1.876 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.574 -3.457 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.393 -1.965 -0.914 1.00 0.00 H new ATOM 576 N ARG A 39 -6.397 -6.505 1.064 1.00 0.00 N ATOM 577 CA ARG A 39 -5.613 -7.560 1.663 1.00 0.00 C ATOM 578 C ARG A 39 -5.295 -8.638 0.629 1.00 0.00 C ATOM 579 O ARG A 39 -4.132 -8.977 0.436 1.00 0.00 O ATOM 580 CB ARG A 39 -6.407 -8.132 2.847 1.00 0.00 C ATOM 581 CG ARG A 39 -5.593 -8.870 3.892 1.00 0.00 C ATOM 582 CD ARG A 39 -5.244 -10.281 3.470 1.00 0.00 C ATOM 583 NE ARG A 39 -4.669 -11.036 4.583 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.014 -12.188 4.459 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.780 -12.707 3.266 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.569 -12.809 5.542 1.00 0.00 N ATOM 0 H ARG A 39 -7.386 -6.536 1.313 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.660 -7.171 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.934 -7.313 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.165 -8.812 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.675 -8.316 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.153 -8.902 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.138 -10.787 3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.536 -10.252 2.642 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.778 -10.652 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.102 -12.224 2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.277 -13.591 3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.729 -12.404 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.066 -13.692 5.453 1.00 0.00 H new ATOM 600 N SER A 40 -6.319 -9.135 -0.065 1.00 0.00 N ATOM 601 CA SER A 40 -6.164 -10.276 -0.970 1.00 0.00 C ATOM 602 C SER A 40 -5.280 -9.927 -2.168 1.00 0.00 C ATOM 603 O SER A 40 -4.499 -10.755 -2.633 1.00 0.00 O ATOM 604 CB SER A 40 -7.534 -10.764 -1.449 1.00 0.00 C ATOM 605 OG SER A 40 -7.438 -12.015 -2.110 1.00 0.00 O ATOM 0 H SER A 40 -7.268 -8.764 -0.018 1.00 0.00 H new ATOM 0 HA SER A 40 -5.673 -11.075 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.208 -10.852 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.968 -10.027 -2.124 1.00 0.00 H new ATOM 0 HG SER A 40 -8.329 -12.300 -2.402 1.00 0.00 H new ATOM 611 N LEU A 41 -5.396 -8.701 -2.657 1.00 0.00 N ATOM 612 CA LEU A 41 -4.572 -8.227 -3.758 1.00 0.00 C ATOM 613 C LEU A 41 -3.111 -8.213 -3.345 1.00 0.00 C ATOM 614 O LEU A 41 -2.227 -8.496 -4.143 1.00 0.00 O ATOM 615 CB LEU A 41 -5.061 -6.840 -4.168 1.00 0.00 C ATOM 616 CG LEU A 41 -4.565 -6.295 -5.508 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.429 -5.312 -5.299 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.131 -7.423 -6.441 1.00 0.00 C ATOM 0 H LEU A 41 -6.059 -8.011 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.657 -8.894 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.151 -6.859 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.772 -6.135 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.396 -5.771 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.091 -4.936 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.776 -4.480 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.603 -5.813 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.784 -7.002 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.323 -7.988 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.976 -8.086 -6.629 1.00 0.00 H new ATOM 630 N PHE A 42 -2.856 -7.902 -2.099 1.00 0.00 N ATOM 631 CA PHE A 42 -1.509 -7.958 -1.582 1.00 0.00 C ATOM 632 C PHE A 42 -1.134 -9.375 -1.188 1.00 0.00 C ATOM 633 O PHE A 42 0.042 -9.727 -1.151 1.00 0.00 O ATOM 634 CB PHE A 42 -1.346 -6.971 -0.440 1.00 0.00 C ATOM 635 CG PHE A 42 -1.244 -5.575 -0.960 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.344 -4.954 -1.535 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.038 -4.897 -0.924 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.241 -3.690 -2.057 1.00 0.00 C ATOM 639 CE2 PHE A 42 0.062 -3.627 -1.442 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.039 -3.031 -2.008 1.00 0.00 C ATOM 0 H PHE A 42 -3.561 -7.608 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.813 -7.664 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.194 -7.050 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.453 -7.216 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.291 -5.472 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.830 -5.368 -0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.102 -3.216 -2.504 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.004 -3.099 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.957 -2.035 -2.418 1.00 0.00 H new ATOM 650 N SER A 43 -2.139 -10.195 -0.927 1.00 0.00 N ATOM 651 CA SER A 43 -1.931 -11.599 -0.682 1.00 0.00 C ATOM 652 C SER A 43 -1.525 -12.286 -1.987 1.00 0.00 C ATOM 653 O SER A 43 -1.006 -13.404 -1.985 1.00 0.00 O ATOM 654 CB SER A 43 -3.214 -12.208 -0.131 1.00 0.00 C ATOM 655 OG SER A 43 -3.722 -11.440 0.942 1.00 0.00 O ATOM 0 H SER A 43 -3.115 -9.901 -0.881 1.00 0.00 H new ATOM 0 HA SER A 43 -1.134 -11.738 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.960 -12.270 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.021 -13.227 0.206 1.00 0.00 H new ATOM 0 HG SER A 43 -3.493 -10.497 0.807 1.00 0.00 H new ATOM 661 N SER A 44 -1.771 -11.599 -3.104 1.00 0.00 N ATOM 662 CA SER A 44 -1.387 -12.094 -4.415 1.00 0.00 C ATOM 663 C SER A 44 0.129 -12.043 -4.545 1.00 0.00 C ATOM 664 O SER A 44 0.749 -12.913 -5.157 1.00 0.00 O ATOM 665 CB SER A 44 -2.057 -11.269 -5.526 1.00 0.00 C ATOM 666 OG SER A 44 -1.293 -10.121 -5.857 1.00 0.00 O ATOM 0 H SER A 44 -2.238 -10.692 -3.120 1.00 0.00 H new ATOM 0 HA SER A 44 -1.722 -13.126 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.186 -11.889 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.052 -10.964 -5.203 1.00 0.00 H new ATOM 0 HG SER A 44 -1.242 -9.527 -5.080 1.00 0.00 H new ATOM 672 N ILE A 45 0.716 -11.005 -3.961 1.00 0.00 N ATOM 673 CA ILE A 45 2.164 -10.894 -3.858 1.00 0.00 C ATOM 674 C ILE A 45 2.715 -11.984 -2.953 1.00 0.00 C ATOM 675 O ILE A 45 3.659 -12.687 -3.312 1.00 0.00 O ATOM 676 CB ILE A 45 2.576 -9.508 -3.313 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.372 -8.449 -4.387 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.029 -9.504 -2.834 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.463 -8.448 -5.420 1.00 0.00 C ATOM 0 H ILE A 45 0.206 -10.224 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 45 2.581 -11.012 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 45 1.944 -9.279 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.413 -8.616 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.322 -7.467 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.285 -8.514 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.152 -10.238 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.687 -9.757 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.263 -7.672 -6.159 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.421 -8.252 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.498 -9.419 -5.914 1.00 0.00 H new ATOM 691 N GLY A 46 2.089 -12.150 -1.803 1.00 0.00 N ATOM 692 CA GLY A 46 2.593 -13.082 -0.825 1.00 0.00 C ATOM 693 C GLY A 46 1.848 -13.002 0.484 1.00 0.00 C ATOM 694 O GLY A 46 0.661 -12.677 0.513 1.00 0.00 O ATOM 0 H GLY A 46 1.240 -11.655 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.519 -14.095 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.651 -12.885 -0.650 1.00 0.00 H new ATOM 698 N GLU A 47 2.546 -13.283 1.569 1.00 0.00 N ATOM 699 CA GLU A 47 1.931 -13.327 2.880 1.00 0.00 C ATOM 700 C GLU A 47 1.781 -11.945 3.486 1.00 0.00 C ATOM 701 O GLU A 47 2.761 -11.252 3.773 1.00 0.00 O ATOM 702 CB GLU A 47 2.737 -14.222 3.813 1.00 0.00 C ATOM 703 CG GLU A 47 2.136 -15.595 4.017 1.00 0.00 C ATOM 704 CD GLU A 47 3.064 -16.521 4.773 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.890 -17.200 4.128 1.00 0.00 O ATOM 706 OE2 GLU A 47 2.974 -16.574 6.018 1.00 0.00 O1- ATOM 0 H GLU A 47 3.546 -13.485 1.566 1.00 0.00 H new ATOM 0 HA GLU A 47 0.931 -13.742 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.745 -14.333 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.831 -13.730 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.197 -15.501 4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.899 -16.033 3.048 1.00 0.00 H new ATOM 713 N VAL A 48 0.538 -11.566 3.680 1.00 0.00 N ATOM 714 CA VAL A 48 0.205 -10.310 4.307 1.00 0.00 C ATOM 715 C VAL A 48 0.005 -10.508 5.785 1.00 0.00 C ATOM 716 O VAL A 48 -0.805 -11.326 6.223 1.00 0.00 O ATOM 717 CB VAL A 48 -1.048 -9.693 3.667 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.464 -8.427 4.399 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.787 -9.427 2.197 1.00 0.00 C ATOM 0 H VAL A 48 -0.272 -12.123 3.406 1.00 0.00 H new ATOM 0 HA VAL A 48 1.033 -9.617 4.156 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.876 -10.397 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.353 -8.009 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.683 -8.664 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.654 -7.699 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.676 -8.989 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.050 -8.736 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.547 -10.364 1.695 1.00 0.00 H new ATOM 729 N GLU A 49 0.780 -9.760 6.542 1.00 0.00 N ATOM 730 CA GLU A 49 0.768 -9.852 7.970 1.00 0.00 C ATOM 731 C GLU A 49 -0.496 -9.199 8.516 1.00 0.00 C ATOM 732 O GLU A 49 -1.181 -9.766 9.368 1.00 0.00 O ATOM 733 CB GLU A 49 2.005 -9.186 8.537 1.00 0.00 C ATOM 734 CG GLU A 49 2.096 -9.334 10.035 1.00 0.00 C ATOM 735 CD GLU A 49 3.394 -8.816 10.615 1.00 0.00 C ATOM 736 OE1 GLU A 49 3.395 -7.693 11.160 1.00 0.00 O ATOM 737 OE2 GLU A 49 4.418 -9.527 10.535 1.00 0.00 O1- ATOM 0 H GLU A 49 1.436 -9.071 6.174 1.00 0.00 H new ATOM 0 HA GLU A 49 0.773 -10.900 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.893 -9.620 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.996 -8.127 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.264 -8.802 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.985 -10.387 10.296 1.00 0.00 H new ATOM 744 N SER A 50 -0.799 -8.002 8.017 1.00 0.00 N ATOM 745 CA SER A 50 -2.028 -7.298 8.381 1.00 0.00 C ATOM 746 C SER A 50 -2.374 -6.249 7.328 1.00 0.00 C ATOM 747 O SER A 50 -1.528 -5.443 6.965 1.00 0.00 O ATOM 748 CB SER A 50 -1.882 -6.628 9.738 1.00 0.00 C ATOM 749 OG SER A 50 -1.520 -7.556 10.750 1.00 0.00 O ATOM 0 H SER A 50 -0.208 -7.497 7.357 1.00 0.00 H new ATOM 0 HA SER A 50 -2.833 -8.031 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.127 -5.845 9.677 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.821 -6.145 10.007 1.00 0.00 H new ATOM 0 HG SER A 50 -1.734 -8.465 10.452 1.00 0.00 H new ATOM 755 N ALA A 51 -3.608 -6.255 6.835 1.00 0.00 N ATOM 756 CA ALA A 51 -4.026 -5.262 5.853 1.00 0.00 C ATOM 757 C ALA A 51 -5.237 -4.480 6.330 1.00 0.00 C ATOM 758 O ALA A 51 -6.298 -5.047 6.608 1.00 0.00 O ATOM 759 CB ALA A 51 -4.301 -5.895 4.501 1.00 0.00 C ATOM 0 H ALA A 51 -4.329 -6.928 7.096 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.197 -4.564 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.610 -5.125 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.396 -6.380 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.095 -6.635 4.601 1.00 0.00 H new ATOM 765 N LYS A 52 -5.062 -3.175 6.418 1.00 0.00 N ATOM 766 CA LYS A 52 -6.086 -2.282 6.902 1.00 0.00 C ATOM 767 C LYS A 52 -6.660 -1.455 5.762 1.00 0.00 C ATOM 768 O LYS A 52 -5.921 -0.971 4.904 1.00 0.00 O ATOM 769 CB LYS A 52 -5.472 -1.345 7.937 1.00 0.00 C ATOM 770 CG LYS A 52 -6.445 -0.368 8.550 1.00 0.00 C ATOM 771 CD LYS A 52 -5.702 0.790 9.173 1.00 0.00 C ATOM 772 CE LYS A 52 -4.896 0.362 10.384 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.760 -0.164 11.473 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.196 -2.706 6.152 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.889 -2.871 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.028 -1.943 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.662 -0.786 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.131 -0.000 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.048 -0.871 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.036 1.234 8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.414 1.562 9.465 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.178 -0.404 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.322 1.211 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.221 -0.190 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.589 0.454 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.076 -1.125 11.232 1.00 0.00 H new ATOM 787 N LEU A 53 -7.968 -1.292 5.761 1.00 0.00 N ATOM 788 CA LEU A 53 -8.624 -0.391 4.834 1.00 0.00 C ATOM 789 C LEU A 53 -9.124 0.812 5.598 1.00 0.00 C ATOM 790 O LEU A 53 -9.698 0.671 6.677 1.00 0.00 O ATOM 791 CB LEU A 53 -9.800 -1.066 4.136 1.00 0.00 C ATOM 792 CG LEU A 53 -10.651 -0.135 3.275 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.251 -0.250 1.816 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.132 -0.439 3.452 1.00 0.00 C ATOM 0 H LEU A 53 -8.602 -1.776 6.397 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.904 -0.094 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.419 -1.872 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.438 -1.525 4.891 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.475 0.890 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.867 0.420 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.202 0.024 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.396 -1.276 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.719 0.236 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.330 -1.469 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.409 -0.302 4.497 1.00 0.00 H new ATOM 806 N ILE A 54 -8.902 1.986 5.061 1.00 0.00 N ATOM 807 CA ILE A 54 -9.374 3.181 5.711 1.00 0.00 C ATOM 808 C ILE A 54 -10.752 3.539 5.189 1.00 0.00 C ATOM 809 O ILE A 54 -10.930 3.773 3.996 1.00 0.00 O ATOM 810 CB ILE A 54 -8.420 4.361 5.493 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.985 3.984 5.884 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.894 5.574 6.276 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.853 3.351 7.255 1.00 0.00 C ATOM 0 H ILE A 54 -8.403 2.139 4.185 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.421 2.980 6.781 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.421 4.613 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.588 3.294 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.365 4.880 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.207 6.404 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.892 5.857 5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.924 5.332 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.806 3.117 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.216 4.045 8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.442 2.435 7.291 1.00 0.00 H new ATOM 934 N SER A 62 -14.733 3.991 1.806 1.00 0.00 N ATOM 935 CA SER A 62 -13.286 3.975 1.913 1.00 0.00 C ATOM 936 C SER A 62 -12.737 5.374 1.647 1.00 0.00 C ATOM 937 O SER A 62 -13.272 6.101 0.813 1.00 0.00 O ATOM 938 CB SER A 62 -12.713 2.966 0.919 1.00 0.00 C ATOM 939 OG SER A 62 -13.472 1.767 0.938 1.00 0.00 O ATOM 0 HA SER A 62 -12.992 3.676 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.718 3.391 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.674 2.750 1.168 1.00 0.00 H new ATOM 0 HG SER A 62 -12.907 1.018 0.656 1.00 0.00 H new ATOM 945 N LEU A 63 -11.691 5.756 2.366 1.00 0.00 N ATOM 946 CA LEU A 63 -11.167 7.113 2.277 1.00 0.00 C ATOM 947 C LEU A 63 -9.987 7.199 1.315 1.00 0.00 C ATOM 948 O LEU A 63 -9.146 8.090 1.425 1.00 0.00 O ATOM 949 CB LEU A 63 -10.772 7.628 3.662 1.00 0.00 C ATOM 950 CG LEU A 63 -11.917 7.689 4.678 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.441 8.299 5.984 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.093 8.478 4.118 1.00 0.00 C ATOM 0 H LEU A 63 -11.190 5.149 3.015 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.960 7.747 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.985 6.988 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.347 8.626 3.555 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.251 6.670 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.269 8.334 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.635 7.692 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.077 9.310 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.895 8.509 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.773 9.494 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.454 7.997 3.209 1.00 0.00 H new ATOM 964 N GLY A 64 -9.927 6.258 0.385 1.00 0.00 N ATOM 965 CA GLY A 64 -8.980 6.352 -0.707 1.00 0.00 C ATOM 966 C GLY A 64 -7.609 5.793 -0.398 1.00 0.00 C ATOM 967 O GLY A 64 -6.696 5.927 -1.208 1.00 0.00 O ATOM 0 H GLY A 64 -10.519 5.428 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.387 5.826 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.876 7.399 -0.992 1.00 0.00 H new ATOM 971 N TYR A 65 -7.444 5.164 0.755 1.00 0.00 N ATOM 972 CA TYR A 65 -6.141 4.599 1.103 1.00 0.00 C ATOM 973 C TYR A 65 -6.250 3.513 2.171 1.00 0.00 C ATOM 974 O TYR A 65 -7.306 3.324 2.780 1.00 0.00 O ATOM 975 CB TYR A 65 -5.167 5.705 1.550 1.00 0.00 C ATOM 976 CG TYR A 65 -5.455 6.322 2.894 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.564 6.152 3.940 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.594 7.080 3.115 1.00 0.00 C ATOM 979 CE1 TYR A 65 -4.798 6.720 5.171 1.00 0.00 C ATOM 980 CE2 TYR A 65 -6.839 7.652 4.347 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.936 7.470 5.375 1.00 0.00 C ATOM 982 OH TYR A 65 -6.171 8.036 6.610 1.00 0.00 O ATOM 0 H TYR A 65 -8.175 5.031 1.454 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.746 4.128 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.159 5.291 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.173 6.495 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.671 5.564 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.300 7.225 2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.092 6.578 5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.732 8.238 4.506 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.015 8.533 6.587 1.00 0.00 H new ATOM 992 N GLY A 66 -5.154 2.788 2.363 1.00 0.00 N ATOM 993 CA GLY A 66 -5.100 1.716 3.340 1.00 0.00 C ATOM 994 C GLY A 66 -3.670 1.365 3.704 1.00 0.00 C ATOM 995 O GLY A 66 -2.731 1.973 3.185 1.00 0.00 O ATOM 0 H GLY A 66 -4.285 2.928 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.642 2.013 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.602 0.834 2.942 1.00 0.00 H new ATOM 999 N PHE A 67 -3.497 0.385 4.583 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.173 0.014 5.080 1.00 0.00 C ATOM 1001 C PHE A 67 -2.041 -1.500 5.199 1.00 0.00 C ATOM 1002 O PHE A 67 -2.661 -2.108 6.067 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.925 0.636 6.462 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.896 2.139 6.475 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.743 2.828 6.136 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.021 2.859 6.840 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.715 4.209 6.160 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.000 4.239 6.863 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.844 4.914 6.523 1.00 0.00 C ATOM 0 H PHE A 67 -4.260 -0.171 4.969 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.438 0.388 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.703 0.295 7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.976 0.264 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.143 2.280 5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.926 2.335 7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.190 4.736 5.895 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.885 4.789 7.146 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.824 5.994 6.541 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.245 -2.114 4.340 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.000 -3.541 4.433 1.00 0.00 C ATOM 1021 C VAL A 68 0.457 -3.841 4.772 1.00 0.00 C ATOM 1022 O VAL A 68 1.377 -3.509 4.031 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.464 -4.299 3.160 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.649 -3.348 2.005 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.520 -5.439 2.772 1.00 0.00 C ATOM 0 H VAL A 68 -0.760 -1.648 3.574 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.607 -3.913 5.258 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.425 -4.752 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.974 -3.903 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.402 -2.604 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.704 -2.848 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.895 -5.933 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.474 -5.037 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.466 -6.160 3.588 1.00 0.00 H new ATOM 1035 N ASN A 69 0.640 -4.428 5.938 1.00 0.00 N ATOM 1036 CA ASN A 69 1.935 -4.868 6.406 1.00 0.00 C ATOM 1037 C ASN A 69 2.186 -6.291 5.940 1.00 0.00 C ATOM 1038 O ASN A 69 1.346 -7.166 6.136 1.00 0.00 O ATOM 1039 CB ASN A 69 1.967 -4.826 7.932 1.00 0.00 C ATOM 1040 CG ASN A 69 3.370 -4.886 8.497 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.830 -6.078 8.820 1.00 0.00 O flip ATOM 1042 ND2 ASN A 69 4.033 -3.863 8.659 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.118 -4.614 6.594 1.00 0.00 H new ATOM 0 HA ASN A 69 2.706 -4.210 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.482 -3.912 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.387 -5.661 8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.645 -2.957 8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.971 -3.921 9.055 1.00 0.00 H new ATOM 1049 N TYR A 70 3.326 -6.520 5.322 1.00 0.00 N ATOM 1050 CA TYR A 70 3.700 -7.855 4.886 1.00 0.00 C ATOM 1051 C TYR A 70 4.461 -8.594 5.969 1.00 0.00 C ATOM 1052 O TYR A 70 4.920 -8.000 6.943 1.00 0.00 O ATOM 1053 CB TYR A 70 4.564 -7.780 3.632 1.00 0.00 C ATOM 1054 CG TYR A 70 3.783 -7.706 2.349 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.626 -6.506 1.670 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.210 -8.848 1.812 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.916 -6.453 0.490 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.500 -8.799 0.634 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.356 -7.600 -0.021 1.00 0.00 C ATOM 1060 OH TYR A 70 1.657 -7.552 -1.199 1.00 0.00 O ATOM 0 H TYR A 70 4.014 -5.798 5.108 1.00 0.00 H new ATOM 0 HA TYR A 70 2.781 -8.399 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.211 -6.905 3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.214 -8.655 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.065 -5.604 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.322 -9.791 2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.800 -5.514 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.059 -9.697 0.227 1.00 0.00 H new ATOM 0 HH TYR A 70 1.025 -8.300 -1.235 1.00 0.00 H new ATOM 1070 N VAL A 71 4.582 -9.903 5.792 1.00 0.00 N ATOM 1071 CA VAL A 71 5.369 -10.727 6.695 1.00 0.00 C ATOM 1072 C VAL A 71 6.856 -10.524 6.410 1.00 0.00 C ATOM 1073 O VAL A 71 7.716 -10.843 7.229 1.00 0.00 O ATOM 1074 CB VAL A 71 5.015 -12.222 6.551 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.530 -12.439 6.806 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.413 -12.746 5.179 1.00 0.00 C ATOM 0 H VAL A 71 4.143 -10.417 5.028 1.00 0.00 H new ATOM 0 HA VAL A 71 5.139 -10.422 7.716 1.00 0.00 H new ATOM 0 HB VAL A 71 5.579 -12.783 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.294 -13.498 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.282 -12.110 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.949 -11.865 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.153 -13.802 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.884 -12.186 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.488 -12.626 5.042 1.00 0.00 H new ATOM 1086 N THR A 72 7.128 -9.992 5.224 1.00 0.00 N ATOM 1087 CA THR A 72 8.475 -9.676 4.783 1.00 0.00 C ATOM 1088 C THR A 72 8.568 -8.211 4.397 1.00 0.00 C ATOM 1089 O THR A 72 7.554 -7.553 4.169 1.00 0.00 O ATOM 1090 CB THR A 72 8.849 -10.485 3.530 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.741 -10.494 2.627 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.265 -11.904 3.852 1.00 0.00 C ATOM 0 H THR A 72 6.409 -9.767 4.536 1.00 0.00 H new ATOM 0 HA THR A 72 9.146 -9.915 5.608 1.00 0.00 H new ATOM 0 HB THR A 72 9.711 -10.001 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.749 -11.325 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.518 -12.427 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.134 -11.888 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.443 -12.420 4.349 1.00 0.00 H new ATOM 1100 N ALA A 73 9.780 -7.701 4.321 1.00 0.00 N ATOM 1101 CA ALA A 73 10.016 -6.433 3.661 1.00 0.00 C ATOM 1102 C ALA A 73 10.304 -6.717 2.193 1.00 0.00 C ATOM 1103 O ALA A 73 10.230 -5.838 1.333 1.00 0.00 O ATOM 1104 CB ALA A 73 11.167 -5.682 4.308 1.00 0.00 C ATOM 0 H ALA A 73 10.615 -8.143 4.707 1.00 0.00 H new ATOM 0 HA ALA A 73 9.136 -5.796 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.320 -4.735 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.933 -5.490 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.075 -6.282 4.243 1.00 0.00 H new ATOM 1110 N LYS A 74 10.619 -7.981 1.939 1.00 0.00 N ATOM 1111 CA LYS A 74 10.886 -8.497 0.606 1.00 0.00 C ATOM 1112 C LYS A 74 9.639 -8.429 -0.283 1.00 0.00 C ATOM 1113 O LYS A 74 9.680 -7.864 -1.379 1.00 0.00 O ATOM 1114 CB LYS A 74 11.408 -9.929 0.745 1.00 0.00 C ATOM 1115 CG LYS A 74 11.465 -10.702 -0.547 1.00 0.00 C ATOM 1116 CD LYS A 74 10.414 -11.792 -0.559 1.00 0.00 C ATOM 1117 CE LYS A 74 10.067 -12.180 -1.977 1.00 0.00 C ATOM 1118 NZ LYS A 74 11.187 -12.884 -2.654 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.697 -8.689 2.670 1.00 0.00 H new ATOM 0 HA LYS A 74 11.639 -7.881 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.407 -9.897 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.772 -10.467 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.308 -10.027 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.455 -11.141 -0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.780 -12.664 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.519 -11.447 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.186 -12.822 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.806 -11.286 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.906 -13.132 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.020 -12.263 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.420 -13.751 -2.129 1.00 0.00 H new ATOM 1132 N ASP A 75 8.530 -8.985 0.195 1.00 0.00 N ATOM 1133 CA ASP A 75 7.274 -8.960 -0.559 1.00 0.00 C ATOM 1134 C ASP A 75 6.641 -7.572 -0.507 1.00 0.00 C ATOM 1135 O ASP A 75 5.775 -7.248 -1.312 1.00 0.00 O ATOM 1136 CB ASP A 75 6.294 -10.017 -0.035 1.00 0.00 C ATOM 1137 CG ASP A 75 6.754 -11.439 -0.318 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.297 -12.089 0.603 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.580 -11.916 -1.461 1.00 0.00 O1- ATOM 0 H ASP A 75 8.472 -9.457 1.097 1.00 0.00 H new ATOM 0 HA ASP A 75 7.503 -9.197 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.168 -9.888 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.317 -9.858 -0.492 1.00 0.00 H new ATOM 1144 N ALA A 76 7.089 -6.750 0.435 1.00 0.00 N ATOM 1145 CA ALA A 76 6.648 -5.359 0.510 1.00 0.00 C ATOM 1146 C ALA A 76 7.120 -4.594 -0.722 1.00 0.00 C ATOM 1147 O ALA A 76 6.325 -3.981 -1.432 1.00 0.00 O ATOM 1148 CB ALA A 76 7.168 -4.710 1.786 1.00 0.00 C ATOM 0 H ALA A 76 7.756 -7.021 1.157 1.00 0.00 H new ATOM 0 HA ALA A 76 5.559 -5.331 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.833 -3.674 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.787 -5.252 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.258 -4.739 1.791 1.00 0.00 H new ATOM 1154 N GLU A 77 8.419 -4.655 -0.979 1.00 0.00 N ATOM 1155 CA GLU A 77 8.990 -4.103 -2.202 1.00 0.00 C ATOM 1156 C GLU A 77 8.362 -4.777 -3.415 1.00 0.00 C ATOM 1157 O GLU A 77 8.124 -4.144 -4.442 1.00 0.00 O ATOM 1158 CB GLU A 77 10.502 -4.328 -2.200 1.00 0.00 C ATOM 1159 CG GLU A 77 11.171 -4.031 -3.529 1.00 0.00 C ATOM 1160 CD GLU A 77 12.613 -4.479 -3.561 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.513 -3.638 -3.366 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.855 -5.682 -3.785 1.00 0.00 O1- ATOM 0 H GLU A 77 9.102 -5.083 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 77 8.785 -3.033 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.951 -3.701 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.705 -5.363 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.621 -4.528 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.122 -2.960 -3.726 1.00 0.00 H new ATOM 1169 N ARG A 78 8.053 -6.058 -3.259 1.00 0.00 N ATOM 1170 CA ARG A 78 7.504 -6.857 -4.330 1.00 0.00 C ATOM 1171 C ARG A 78 6.126 -6.333 -4.700 1.00 0.00 C ATOM 1172 O ARG A 78 5.762 -6.276 -5.870 1.00 0.00 O ATOM 1173 CB ARG A 78 7.440 -8.308 -3.876 1.00 0.00 C ATOM 1174 CG ARG A 78 7.147 -9.314 -4.970 1.00 0.00 C ATOM 1175 CD ARG A 78 7.221 -10.726 -4.420 1.00 0.00 C ATOM 1176 NE ARG A 78 6.959 -11.739 -5.435 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.614 -12.991 -5.154 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.438 -13.368 -3.891 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.437 -13.868 -6.135 1.00 0.00 N ATOM 0 H ARG A 78 8.179 -6.566 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 78 8.136 -6.795 -5.216 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.390 -8.568 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.673 -8.398 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.157 -9.130 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.862 -9.195 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.209 -10.894 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.500 -10.834 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 78 7.045 -11.472 -6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.568 -12.695 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.173 -14.330 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.566 -13.581 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.172 -14.829 -5.918 1.00 0.00 H new ATOM 1193 N ALA A 79 5.368 -5.918 -3.694 1.00 0.00 N ATOM 1194 CA ALA A 79 4.061 -5.340 -3.929 1.00 0.00 C ATOM 1195 C ALA A 79 4.190 -3.986 -4.604 1.00 0.00 C ATOM 1196 O ALA A 79 3.365 -3.613 -5.427 1.00 0.00 O ATOM 1197 CB ALA A 79 3.267 -5.224 -2.633 1.00 0.00 C ATOM 0 H ALA A 79 5.639 -5.972 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 79 3.514 -6.007 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.291 -4.787 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.135 -6.214 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.807 -4.588 -1.931 1.00 0.00 H new ATOM 1203 N ILE A 80 5.229 -3.251 -4.262 1.00 0.00 N ATOM 1204 CA ILE A 80 5.443 -1.947 -4.862 1.00 0.00 C ATOM 1205 C ILE A 80 5.863 -2.043 -6.321 1.00 0.00 C ATOM 1206 O ILE A 80 5.430 -1.247 -7.150 1.00 0.00 O ATOM 1207 CB ILE A 80 6.483 -1.150 -4.086 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.097 -1.099 -2.616 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.595 0.253 -4.645 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.097 -0.378 -1.762 1.00 0.00 C ATOM 0 H ILE A 80 5.933 -3.530 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 80 4.485 -1.429 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 80 7.452 -1.640 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.128 -0.610 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.979 -2.117 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.342 0.811 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.893 0.205 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.631 0.755 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.759 -0.379 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.062 -0.880 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.198 0.650 -2.109 1.00 0.00 H new ATOM 1222 N ASN A 81 6.690 -3.006 -6.652 1.00 0.00 N ATOM 1223 CA ASN A 81 7.160 -3.112 -8.019 1.00 0.00 C ATOM 1224 C ASN A 81 6.171 -3.877 -8.880 1.00 0.00 C ATOM 1225 O ASN A 81 6.086 -3.667 -10.090 1.00 0.00 O ATOM 1226 CB ASN A 81 8.553 -3.741 -8.080 1.00 0.00 C ATOM 1227 CG ASN A 81 8.676 -5.093 -7.398 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.845 -5.983 -7.570 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.728 -5.250 -6.608 1.00 0.00 N ATOM 0 H ASN A 81 7.047 -3.715 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 81 7.238 -2.102 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.841 -3.851 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.266 -3.054 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.870 -6.133 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.396 -4.488 -6.491 1.00 0.00 H new ATOM 1236 N THR A 82 5.425 -4.760 -8.248 1.00 0.00 N ATOM 1237 CA THR A 82 4.439 -5.550 -8.946 1.00 0.00 C ATOM 1238 C THR A 82 3.056 -4.890 -8.942 1.00 0.00 C ATOM 1239 O THR A 82 2.496 -4.590 -9.997 1.00 0.00 O ATOM 1240 CB THR A 82 4.356 -6.960 -8.335 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.493 -7.737 -8.737 1.00 0.00 O ATOM 1242 CG2 THR A 82 3.060 -7.673 -8.710 1.00 0.00 C ATOM 0 H THR A 82 5.486 -4.947 -7.247 1.00 0.00 H new ATOM 0 HA THR A 82 4.761 -5.623 -9.985 1.00 0.00 H new ATOM 0 HB THR A 82 4.359 -6.851 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.313 -7.305 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.046 -8.664 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.209 -7.096 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.998 -7.769 -9.794 1.00 0.00 H new ATOM 1250 N LEU A 83 2.513 -4.662 -7.752 1.00 0.00 N ATOM 1251 CA LEU A 83 1.137 -4.205 -7.612 1.00 0.00 C ATOM 1252 C LEU A 83 0.976 -2.716 -7.886 1.00 0.00 C ATOM 1253 O LEU A 83 0.060 -2.341 -8.597 1.00 0.00 O ATOM 1254 CB LEU A 83 0.605 -4.511 -6.221 1.00 0.00 C ATOM 1255 CG LEU A 83 0.402 -5.995 -5.895 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.224 -6.132 -4.525 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.463 -6.689 -6.935 1.00 0.00 C ATOM 0 H LEU A 83 3.007 -4.787 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 83 0.563 -4.749 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.293 -4.089 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.348 -3.997 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 83 1.379 -6.479 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.368 -7.188 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.432 -5.684 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.188 -5.623 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.582 -7.739 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.442 -6.210 -6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.014 -6.616 -7.912 1.00 0.00 H new ATOM 1269 N ASN A 84 1.848 -1.879 -7.315 1.00 0.00 N ATOM 1270 CA ASN A 84 1.700 -0.413 -7.399 1.00 0.00 C ATOM 1271 C ASN A 84 1.258 0.029 -8.795 1.00 0.00 C ATOM 1272 O ASN A 84 1.972 -0.168 -9.781 1.00 0.00 O ATOM 1273 CB ASN A 84 3.012 0.269 -7.018 1.00 0.00 C ATOM 1274 CG ASN A 84 2.885 1.769 -6.818 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.942 2.405 -7.280 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.857 2.351 -6.136 1.00 0.00 N ATOM 0 H ASN A 84 2.666 -2.187 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 84 0.922 -0.114 -6.696 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.391 -0.180 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.751 0.076 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.838 3.359 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.626 1.792 -5.766 1.00 0.00 H new ATOM 1283 N GLY A 85 0.062 0.608 -8.863 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.542 0.937 -10.136 1.00 0.00 C ATOM 1285 C GLY A 85 -1.421 -0.189 -10.639 1.00 0.00 C ATOM 1286 O GLY A 85 -1.591 -0.362 -11.844 1.00 0.00 O ATOM 0 H GLY A 85 -0.501 0.856 -8.049 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.135 1.846 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.239 1.146 -10.868 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.975 -0.964 -9.709 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.808 -2.105 -10.054 1.00 0.00 C ATOM 1292 C LEU A 86 -4.239 -1.641 -10.233 1.00 0.00 C ATOM 1293 O LEU A 86 -4.709 -0.773 -9.496 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.738 -3.168 -8.945 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.633 -4.629 -9.404 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.853 -5.048 -10.207 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.362 -4.838 -10.212 1.00 0.00 C ATOM 0 H LEU A 86 -1.859 -0.818 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.447 -2.547 -10.983 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.878 -2.946 -8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.626 -3.069 -8.321 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.592 -5.258 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.746 -6.088 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.747 -4.943 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.943 -4.415 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.301 -5.878 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.377 -4.190 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.496 -4.595 -9.597 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.922 -2.203 -11.212 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.296 -1.851 -11.462 1.00 0.00 C ATOM 1311 C ARG A 87 -7.213 -2.638 -10.533 1.00 0.00 C ATOM 1312 O ARG A 87 -7.667 -3.733 -10.863 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.644 -2.128 -12.921 1.00 0.00 C ATOM 1314 CG ARG A 87 -7.807 -1.305 -13.427 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.469 0.179 -13.439 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.228 0.453 -14.164 1.00 0.00 N ATOM 1317 CZ ARG A 87 -5.993 1.565 -14.857 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -6.925 2.506 -14.961 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -4.821 1.729 -15.455 1.00 0.00 N ATOM 0 H ARG A 87 -4.542 -2.906 -11.845 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.436 -0.788 -11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.770 -1.927 -13.540 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.880 -3.186 -13.036 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.073 -1.628 -14.433 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.679 -1.477 -12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.287 0.733 -13.899 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.377 0.538 -12.414 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.494 -0.255 -14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.830 2.380 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.736 3.355 -15.494 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.106 1.005 -15.383 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.635 2.579 -15.988 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.466 -2.074 -9.369 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.358 -2.668 -8.397 1.00 0.00 C ATOM 1335 C LEU A 88 -9.755 -2.114 -8.571 1.00 0.00 C ATOM 1336 O LEU A 88 -9.990 -0.940 -8.312 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.863 -2.381 -6.986 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.151 -3.544 -6.309 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.560 -3.095 -4.991 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.126 -4.686 -6.092 1.00 0.00 C ATOM 0 H LEU A 88 -7.057 -1.188 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.378 -3.747 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.184 -1.529 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.713 -2.086 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.341 -3.891 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.053 -3.934 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.845 -2.292 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.356 -2.735 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.612 -5.516 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.947 -4.348 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.521 -5.015 -7.053 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.668 -2.952 -9.040 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.056 -2.545 -9.237 1.00 0.00 C ATOM 1354 C GLN A 89 -12.143 -1.308 -10.133 1.00 0.00 C ATOM 1355 O GLN A 89 -12.977 -0.427 -9.914 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.713 -2.251 -7.901 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.757 -3.447 -6.962 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.555 -3.170 -5.706 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.546 -1.925 -5.267 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.164 -4.068 -5.129 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.474 -3.921 -9.292 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.580 -3.367 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.175 -1.438 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.730 -1.901 -8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.192 -4.299 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.740 -3.727 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.146 -5.017 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.688 -3.864 -4.278 1.00 0.00 H new ATOM 1369 N SER A 90 -11.224 -1.244 -11.098 1.00 0.00 N ATOM 1370 CA SER A 90 -11.145 -0.164 -12.096 1.00 0.00 C ATOM 1371 C SER A 90 -10.399 1.048 -11.545 1.00 0.00 C ATOM 1372 O SER A 90 -10.141 2.017 -12.259 1.00 0.00 O ATOM 1373 CB SER A 90 -12.538 0.241 -12.580 1.00 0.00 C ATOM 1374 OG SER A 90 -12.507 0.766 -13.901 1.00 0.00 O ATOM 0 H SER A 90 -10.499 -1.952 -11.214 1.00 0.00 H new ATOM 0 HA SER A 90 -10.584 -0.548 -12.948 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.199 -0.625 -12.549 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.956 0.986 -11.903 1.00 0.00 H new ATOM 0 HG SER A 90 -13.415 1.012 -14.177 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.046 0.978 -10.282 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.304 2.045 -9.625 1.00 0.00 C ATOM 1382 C LYS A 91 -7.827 1.681 -9.512 1.00 0.00 C ATOM 1383 O LYS A 91 -7.489 0.567 -9.126 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.884 2.305 -8.236 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.413 3.705 -8.056 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.274 4.693 -8.092 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.195 5.489 -6.808 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.191 6.583 -6.892 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.261 0.185 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.393 2.950 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.689 1.594 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.113 2.118 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.131 3.936 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.944 3.783 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.335 4.163 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.405 5.371 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.174 5.912 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.938 4.823 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.982 6.937 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.318 6.220 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.570 7.358 -7.473 1.00 0.00 H new ATOM 1402 N THR A 92 -6.949 2.612 -9.854 1.00 0.00 N ATOM 1403 CA THR A 92 -5.519 2.342 -9.811 1.00 0.00 C ATOM 1404 C THR A 92 -4.937 2.749 -8.459 1.00 0.00 C ATOM 1405 O THR A 92 -5.195 3.845 -7.983 1.00 0.00 O ATOM 1406 CB THR A 92 -4.772 3.077 -10.938 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.669 3.336 -12.031 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.602 2.248 -11.441 1.00 0.00 C ATOM 0 H THR A 92 -7.198 3.552 -10.162 1.00 0.00 H new ATOM 0 HA THR A 92 -5.386 1.270 -9.953 1.00 0.00 H new ATOM 0 HB THR A 92 -4.393 4.017 -10.537 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.188 3.805 -12.744 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.089 2.788 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.907 2.064 -10.621 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.969 1.297 -11.826 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.147 1.863 -7.863 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.669 2.033 -6.492 1.00 0.00 C ATOM 1418 C ILE A 93 -2.207 2.502 -6.414 1.00 0.00 C ATOM 1419 O ILE A 93 -1.490 2.487 -7.412 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.848 0.715 -5.704 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.158 -0.471 -6.409 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.332 0.433 -5.535 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -1.660 -0.450 -6.359 1.00 0.00 C ATOM 0 H ILE A 93 -3.820 1.008 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.273 2.822 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.377 0.831 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.509 -1.398 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.472 -0.487 -7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.465 -0.496 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.798 1.253 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.799 0.339 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.266 -1.322 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.293 0.457 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.330 -0.469 -5.320 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.784 2.935 -5.225 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.383 3.270 -4.963 1.00 0.00 C ATOM 1437 C LYS A 94 0.109 2.550 -3.717 1.00 0.00 C ATOM 1438 O LYS A 94 -0.182 2.969 -2.603 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.198 4.776 -4.747 1.00 0.00 C ATOM 1440 CG LYS A 94 1.139 5.152 -4.108 1.00 0.00 C ATOM 1441 CD LYS A 94 1.135 6.597 -3.628 1.00 0.00 C ATOM 1442 CE LYS A 94 2.109 6.828 -2.476 1.00 0.00 C ATOM 1443 NZ LYS A 94 3.535 6.656 -2.875 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.399 3.063 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 94 0.190 2.957 -5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.286 5.284 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.007 5.144 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.343 4.488 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.943 5.008 -4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.395 7.254 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.129 6.869 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.966 7.835 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.878 6.135 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.148 7.138 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.769 5.643 -2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.683 7.067 -3.819 1.00 0.00 H new ATOM 1457 N VAL A 95 0.848 1.477 -3.893 1.00 0.00 N ATOM 1458 CA VAL A 95 1.453 0.809 -2.756 1.00 0.00 C ATOM 1459 C VAL A 95 2.900 1.278 -2.606 1.00 0.00 C ATOM 1460 O VAL A 95 3.654 1.352 -3.577 1.00 0.00 O ATOM 1461 CB VAL A 95 1.358 -0.731 -2.856 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.472 -1.151 -4.012 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.721 -1.366 -2.948 1.00 0.00 C ATOM 0 H VAL A 95 1.044 1.051 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 95 0.894 1.082 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 95 0.896 -1.091 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.424 -2.239 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.531 -0.750 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.885 -0.767 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.614 -2.449 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.236 -0.995 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.300 -1.114 -2.060 1.00 0.00 H new ATOM 1473 N SER A 96 3.257 1.645 -1.396 1.00 0.00 N ATOM 1474 CA SER A 96 4.570 2.183 -1.090 1.00 0.00 C ATOM 1475 C SER A 96 4.857 1.950 0.387 1.00 0.00 C ATOM 1476 O SER A 96 3.933 1.743 1.158 1.00 0.00 O ATOM 1477 CB SER A 96 4.613 3.686 -1.428 1.00 0.00 C ATOM 1478 OG SER A 96 4.354 3.908 -2.807 1.00 0.00 O ATOM 0 H SER A 96 2.640 1.579 -0.586 1.00 0.00 H new ATOM 0 HA SER A 96 5.332 1.683 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.876 4.218 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.591 4.092 -1.168 1.00 0.00 H new ATOM 0 HG SER A 96 5.123 4.358 -3.216 1.00 0.00 H new ATOM 1484 N TYR A 97 6.124 1.945 0.774 1.00 0.00 N ATOM 1485 CA TYR A 97 6.487 1.746 2.179 1.00 0.00 C ATOM 1486 C TYR A 97 5.897 2.858 3.024 1.00 0.00 C ATOM 1487 O TYR A 97 6.372 3.995 2.974 1.00 0.00 O ATOM 1488 CB TYR A 97 8.004 1.739 2.368 1.00 0.00 C ATOM 1489 CG TYR A 97 8.774 0.951 1.334 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.525 1.608 0.368 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.767 -0.439 1.330 1.00 0.00 C ATOM 1492 CE1 TYR A 97 10.253 0.907 -0.572 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.491 -1.149 0.388 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.233 -0.471 -0.558 1.00 0.00 C ATOM 1495 OH TYR A 97 10.960 -1.171 -1.492 1.00 0.00 O ATOM 0 H TYR A 97 6.916 2.075 0.145 1.00 0.00 H new ATOM 0 HA TYR A 97 6.090 0.780 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.361 2.769 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.230 1.333 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.540 2.688 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.189 -0.972 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.834 1.435 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.475 -2.229 0.393 1.00 0.00 H new ATOM 0 HH TYR A 97 11.717 -1.613 -1.053 1.00 0.00 H new ATOM 1505 N ALA A 98 4.857 2.535 3.780 1.00 0.00 N ATOM 1506 CA ALA A 98 4.245 3.505 4.667 1.00 0.00 C ATOM 1507 C ALA A 98 5.227 3.836 5.774 1.00 0.00 C ATOM 1508 O ALA A 98 5.506 2.984 6.618 1.00 0.00 O ATOM 1509 CB ALA A 98 2.935 2.979 5.245 1.00 0.00 C ATOM 0 H ALA A 98 4.423 1.612 3.795 1.00 0.00 H new ATOM 0 HA ALA A 98 4.006 4.407 4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.501 3.730 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.239 2.764 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.127 2.066 5.809 1.00 0.00 H new