USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 Single : A 31 ASN :FLIP amide:sc= -0.283! F(o=-1.2,f=-0.28!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 118:sc= 1.11 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= -1.1 (180deg=-3.43!) USER MOD Single : A 49 CYS SG : rot 80:sc= -0.768 USER MOD Single : A 50 GLN : amide:sc=-3.76e-06 K(o=-3.8e-06,f=-1.8!) USER MOD Single : A 59 TYR OH : rot -132:sc= 0.0236 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -2.36! (180deg=-4.41!) USER MOD Single : A 64 SER OG : rot 30:sc= 0.551 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 70 CYS SG : rot -17:sc= -2.35! USER MOD Single : A 71 HIS :FLIP no HD1:sc= -3.17! C(o=-4!,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -119:sc= -1.34 (180deg=-2.66!) USER MOD Single : A 90 ASN : amide:sc= 0.594 K(o=0.59,f=-0.022) USER MOD Single : A 91 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0.0142 (180deg=0) USER MOD Single : A 96 TYR OH : rot 16:sc= -0.261 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.0294 (180deg=-0.259) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -14.348 5.534 -0.390 1.00 0.00 N ATOM 359 CA PRO A 29 -13.453 4.610 -1.094 1.00 0.00 C ATOM 360 C PRO A 29 -13.726 4.570 -2.594 1.00 0.00 C ATOM 361 O PRO A 29 -14.750 5.067 -3.063 1.00 0.00 O ATOM 362 CB PRO A 29 -13.770 3.255 -0.457 1.00 0.00 C ATOM 363 CG PRO A 29 -15.165 3.390 0.047 1.00 0.00 C ATOM 364 CD PRO A 29 -15.318 4.827 0.463 1.00 0.00 C ATOM 0 HA PRO A 29 -12.408 4.905 -1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.688 2.447 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.077 3.026 0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.887 3.129 -0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.343 2.719 0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -16.334 5.187 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.098 4.965 1.522 1.00 0.00 H new ATOM 372 N LEU A 30 -12.803 3.975 -3.342 1.00 0.00 N ATOM 373 CA LEU A 30 -12.944 3.869 -4.790 1.00 0.00 C ATOM 374 C LEU A 30 -14.134 2.989 -5.159 1.00 0.00 C ATOM 375 O LEU A 30 -14.132 1.786 -4.904 1.00 0.00 O ATOM 376 CB LEU A 30 -11.665 3.300 -5.407 1.00 0.00 C ATOM 377 CG LEU A 30 -11.476 3.542 -6.905 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.060 3.187 -7.329 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.491 2.740 -7.706 1.00 0.00 C ATOM 0 H LEU A 30 -11.949 3.559 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.118 4.869 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.811 3.726 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.646 2.225 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.638 4.601 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.945 3.366 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.350 3.805 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.869 2.136 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.342 2.924 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.360 1.678 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.499 3.043 -7.423 1.00 0.00 H new ATOM 391 N ASN A 31 -15.150 3.599 -5.762 1.00 0.00 N ATOM 392 CA ASN A 31 -16.347 2.871 -6.168 1.00 0.00 C ATOM 393 C ASN A 31 -15.980 1.618 -6.958 1.00 0.00 C ATOM 394 O ASN A 31 -15.710 1.684 -8.158 1.00 0.00 O ATOM 395 CB ASN A 31 -17.255 3.769 -7.009 1.00 0.00 C ATOM 396 CG ASN A 31 -18.317 2.983 -7.754 1.00 0.00 C ATOM 397 OD1 ASN A 31 -19.547 3.031 -7.255 1.00 0.00 O flip ATOM 398 ND2 ASN A 31 -18.034 2.341 -8.765 1.00 0.00 N flip ATOM 0 H ASN A 31 -15.168 4.595 -5.980 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.880 2.568 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.737 4.502 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.649 4.325 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.075 2.333 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.758 1.817 -9.256 1.00 0.00 H new ATOM 405 N LEU A 32 -15.972 0.477 -6.277 1.00 0.00 N ATOM 406 CA LEU A 32 -15.639 -0.792 -6.914 1.00 0.00 C ATOM 407 C LEU A 32 -16.803 -1.298 -7.761 1.00 0.00 C ATOM 408 O LEU A 32 -16.656 -1.534 -8.961 1.00 0.00 O ATOM 409 CB LEU A 32 -15.271 -1.835 -5.857 1.00 0.00 C ATOM 410 CG LEU A 32 -14.215 -1.411 -4.836 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.929 -2.545 -3.863 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.939 -0.973 -5.538 1.00 0.00 C ATOM 0 H LEU A 32 -16.192 0.405 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.782 -0.628 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.177 -2.113 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.916 -2.730 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.603 -0.563 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.175 -2.226 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.845 -2.811 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.562 -3.412 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.199 -0.675 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.547 -1.800 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.156 -0.129 -6.193 1.00 0.00 H new ATOM 424 N THR A 33 -17.961 -1.461 -7.129 1.00 0.00 N ATOM 425 CA THR A 33 -19.150 -1.937 -7.823 1.00 0.00 C ATOM 426 C THR A 33 -19.243 -1.344 -9.225 1.00 0.00 C ATOM 427 O THR A 33 -19.609 -0.182 -9.394 1.00 0.00 O ATOM 428 CB THR A 33 -20.433 -1.589 -7.045 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.586 -1.904 -7.834 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.455 -0.115 -6.670 1.00 0.00 C ATOM 0 H THR A 33 -18.100 -1.270 -6.137 1.00 0.00 H new ATOM 0 HA THR A 33 -19.061 -3.021 -7.895 1.00 0.00 H new ATOM 0 HB THR A 33 -20.448 -2.181 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.397 -1.681 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.370 0.107 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.592 0.114 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.418 0.491 -7.575 1.00 0.00 H new ATOM 438 N GLY A 34 -18.911 -2.151 -10.228 1.00 0.00 N ATOM 439 CA GLY A 34 -18.964 -1.687 -11.602 1.00 0.00 C ATOM 440 C GLY A 34 -17.676 -1.956 -12.355 1.00 0.00 C ATOM 441 O GLY A 34 -17.692 -2.544 -13.437 1.00 0.00 O ATOM 0 H GLY A 34 -18.606 -3.118 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.791 -2.177 -12.116 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.171 -0.617 -11.613 1.00 0.00 H new ATOM 445 N LEU A 35 -16.558 -1.522 -11.784 1.00 0.00 N ATOM 446 CA LEU A 35 -15.254 -1.718 -12.409 1.00 0.00 C ATOM 447 C LEU A 35 -15.047 -3.180 -12.790 1.00 0.00 C ATOM 448 O LEU A 35 -15.458 -4.097 -12.078 1.00 0.00 O ATOM 449 CB LEU A 35 -14.141 -1.261 -11.466 1.00 0.00 C ATOM 450 CG LEU A 35 -13.833 0.237 -11.466 1.00 0.00 C ATOM 451 CD1 LEU A 35 -12.990 0.609 -10.256 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.125 0.635 -12.754 1.00 0.00 C ATOM 0 H LEU A 35 -16.528 -1.032 -10.890 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.220 -1.117 -13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.408 -1.557 -10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.229 -1.799 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.775 0.782 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.781 1.679 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.533 0.360 -9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.051 0.055 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.913 1.704 -12.737 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.190 0.081 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.764 0.405 -13.607 1.00 0.00 H new ATOM 464 N PRO A 36 -14.391 -3.406 -13.938 1.00 0.00 N ATOM 465 CA PRO A 36 -14.111 -4.755 -14.437 1.00 0.00 C ATOM 466 C PRO A 36 -13.075 -5.484 -13.588 1.00 0.00 C ATOM 467 O PRO A 36 -12.110 -4.884 -13.118 1.00 0.00 O ATOM 468 CB PRO A 36 -13.568 -4.506 -15.847 1.00 0.00 C ATOM 469 CG PRO A 36 -13.007 -3.127 -15.798 1.00 0.00 C ATOM 470 CD PRO A 36 -13.872 -2.361 -14.837 1.00 0.00 C ATOM 0 HA PRO A 36 -14.996 -5.391 -14.412 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.803 -5.236 -16.111 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.357 -4.586 -16.595 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.970 -3.140 -15.464 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.018 -2.666 -16.786 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.300 -1.610 -14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.678 -1.837 -15.351 1.00 0.00 H new ATOM 478 N GLY A 37 -13.281 -6.784 -13.397 1.00 0.00 N ATOM 479 CA GLY A 37 -12.356 -7.573 -12.604 1.00 0.00 C ATOM 480 C GLY A 37 -12.824 -7.750 -11.173 1.00 0.00 C ATOM 481 O GLY A 37 -12.387 -8.669 -10.479 1.00 0.00 O ATOM 0 H GLY A 37 -14.072 -7.304 -13.777 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.230 -8.552 -13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.378 -7.092 -12.606 1.00 0.00 H new ATOM 485 N THR A 38 -13.713 -6.868 -10.729 1.00 0.00 N ATOM 486 CA THR A 38 -14.238 -6.929 -9.371 1.00 0.00 C ATOM 487 C THR A 38 -14.835 -8.300 -9.073 1.00 0.00 C ATOM 488 O THR A 38 -15.091 -8.637 -7.918 1.00 0.00 O ATOM 489 CB THR A 38 -15.312 -5.851 -9.134 1.00 0.00 C ATOM 490 OG1 THR A 38 -14.915 -4.620 -9.749 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.539 -5.630 -7.646 1.00 0.00 C ATOM 0 H THR A 38 -14.085 -6.102 -11.291 1.00 0.00 H new ATOM 0 HA THR A 38 -13.399 -6.748 -8.700 1.00 0.00 H new ATOM 0 HB THR A 38 -16.245 -6.196 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.567 -4.373 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.302 -4.864 -7.504 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.870 -6.561 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.608 -5.306 -7.180 1.00 0.00 H new ATOM 499 N GLU A 39 -15.053 -9.086 -10.123 1.00 0.00 N ATOM 500 CA GLU A 39 -15.621 -10.420 -9.972 1.00 0.00 C ATOM 501 C GLU A 39 -14.528 -11.485 -10.024 1.00 0.00 C ATOM 502 O GLU A 39 -14.720 -12.611 -9.564 1.00 0.00 O ATOM 503 CB GLU A 39 -16.657 -10.684 -11.066 1.00 0.00 C ATOM 504 CG GLU A 39 -16.046 -11.035 -12.412 1.00 0.00 C ATOM 505 CD GLU A 39 -17.052 -11.648 -13.367 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.749 -12.602 -12.964 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.141 -11.172 -14.519 1.00 0.00 O ATOM 0 H GLU A 39 -14.845 -8.822 -11.086 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.110 -10.471 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.308 -11.498 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.285 -9.800 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.625 -10.136 -12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.222 -11.732 -12.262 1.00 0.00 H new ATOM 514 N LYS A 40 -13.382 -11.121 -10.587 1.00 0.00 N ATOM 515 CA LYS A 40 -12.257 -12.042 -10.699 1.00 0.00 C ATOM 516 C LYS A 40 -11.605 -12.273 -9.340 1.00 0.00 C ATOM 517 O LYS A 40 -11.445 -13.413 -8.902 1.00 0.00 O ATOM 518 CB LYS A 40 -11.223 -11.499 -11.687 1.00 0.00 C ATOM 519 CG LYS A 40 -11.611 -11.694 -13.143 1.00 0.00 C ATOM 520 CD LYS A 40 -10.386 -11.815 -14.035 1.00 0.00 C ATOM 521 CE LYS A 40 -10.770 -11.852 -15.506 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.311 -13.181 -15.905 1.00 0.00 N ATOM 0 H LYS A 40 -13.207 -10.193 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.636 -12.995 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.076 -10.436 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.267 -11.990 -11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.223 -12.591 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.221 -10.854 -13.474 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.718 -10.973 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.836 -12.720 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.515 -11.082 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.897 -11.617 -16.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.561 -13.165 -16.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.592 -13.913 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.159 -13.394 -15.342 1.00 0.00 H new ATOM 536 N LEU A 41 -11.231 -11.184 -8.676 1.00 0.00 N ATOM 537 CA LEU A 41 -10.597 -11.268 -7.365 1.00 0.00 C ATOM 538 C LEU A 41 -11.644 -11.320 -6.256 1.00 0.00 C ATOM 539 O LEU A 41 -12.844 -11.263 -6.520 1.00 0.00 O ATOM 540 CB LEU A 41 -9.668 -10.073 -7.148 1.00 0.00 C ATOM 541 CG LEU A 41 -10.192 -8.720 -7.631 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.530 -8.403 -6.982 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.181 -7.621 -7.337 1.00 0.00 C ATOM 0 H LEU A 41 -11.356 -10.233 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.011 -12.187 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.450 -9.996 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.724 -10.276 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.338 -8.773 -8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.887 -7.437 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.253 -9.176 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.410 -8.369 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.570 -6.665 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.003 -7.568 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.245 -7.841 -7.850 1.00 0.00 H new ATOM 555 N ASN A 42 -11.180 -11.427 -5.015 1.00 0.00 N ATOM 556 CA ASN A 42 -12.076 -11.485 -3.866 1.00 0.00 C ATOM 557 C ASN A 42 -11.849 -10.295 -2.939 1.00 0.00 C ATOM 558 O ASN A 42 -10.995 -9.448 -3.198 1.00 0.00 O ATOM 559 CB ASN A 42 -11.869 -12.792 -3.098 1.00 0.00 C ATOM 560 CG ASN A 42 -12.691 -13.933 -3.665 1.00 0.00 C ATOM 561 OD1 ASN A 42 -13.921 -13.907 -3.623 1.00 0.00 O ATOM 562 ND2 ASN A 42 -12.013 -14.942 -4.199 1.00 0.00 N ATOM 0 H ASN A 42 -10.189 -11.475 -4.780 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.102 -11.446 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.813 -13.061 -3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.135 -12.641 -2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.512 -15.738 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.993 -14.921 -4.212 1.00 0.00 H new ATOM 569 N GLU A 43 -12.620 -10.239 -1.857 1.00 0.00 N ATOM 570 CA GLU A 43 -12.503 -9.153 -0.892 1.00 0.00 C ATOM 571 C GLU A 43 -11.039 -8.858 -0.580 1.00 0.00 C ATOM 572 O GLU A 43 -10.620 -7.700 -0.549 1.00 0.00 O ATOM 573 CB GLU A 43 -13.250 -9.503 0.397 1.00 0.00 C ATOM 574 CG GLU A 43 -13.001 -10.923 0.877 1.00 0.00 C ATOM 575 CD GLU A 43 -13.777 -11.257 2.137 1.00 0.00 C ATOM 576 OE1 GLU A 43 -13.391 -10.768 3.219 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.770 -12.008 2.040 1.00 0.00 O ATOM 0 H GLU A 43 -13.332 -10.933 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.950 -8.261 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.952 -8.806 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.319 -9.365 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.277 -11.623 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.936 -11.058 1.064 1.00 0.00 H new ATOM 584 N LYS A 44 -10.265 -9.913 -0.349 1.00 0.00 N ATOM 585 CA LYS A 44 -8.847 -9.769 -0.040 1.00 0.00 C ATOM 586 C LYS A 44 -8.218 -8.660 -0.877 1.00 0.00 C ATOM 587 O LYS A 44 -7.575 -7.757 -0.342 1.00 0.00 O ATOM 588 CB LYS A 44 -8.114 -11.089 -0.289 1.00 0.00 C ATOM 589 CG LYS A 44 -8.069 -11.999 0.927 1.00 0.00 C ATOM 590 CD LYS A 44 -6.866 -12.926 0.885 1.00 0.00 C ATOM 591 CE LYS A 44 -6.879 -13.908 2.047 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.283 -13.319 3.278 1.00 0.00 N ATOM 0 H LYS A 44 -10.596 -10.878 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.755 -9.502 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.601 -11.616 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.095 -10.874 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.033 -11.395 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.984 -12.590 0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.861 -13.475 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.950 -12.337 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.905 -14.215 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.327 -14.806 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.311 -14.019 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.296 -13.049 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.825 -12.477 3.558 1.00 0.00 H new ATOM 606 N GLU A 45 -8.409 -8.734 -2.190 1.00 0.00 N ATOM 607 CA GLU A 45 -7.859 -7.735 -3.099 1.00 0.00 C ATOM 608 C GLU A 45 -8.721 -6.476 -3.108 1.00 0.00 C ATOM 609 O GLU A 45 -8.226 -5.370 -2.890 1.00 0.00 O ATOM 610 CB GLU A 45 -7.754 -8.305 -4.515 1.00 0.00 C ATOM 611 CG GLU A 45 -6.815 -9.495 -4.624 1.00 0.00 C ATOM 612 CD GLU A 45 -6.951 -10.225 -5.946 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.694 -9.603 -6.998 1.00 0.00 O ATOM 614 OE2 GLU A 45 -7.314 -11.420 -5.929 1.00 0.00 O ATOM 0 H GLU A 45 -8.940 -9.475 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.862 -7.470 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.747 -8.604 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.412 -7.520 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.787 -9.154 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.017 -10.188 -3.808 1.00 0.00 H new ATOM 621 N LYS A 46 -10.013 -6.652 -3.363 1.00 0.00 N ATOM 622 CA LYS A 46 -10.945 -5.532 -3.401 1.00 0.00 C ATOM 623 C LYS A 46 -10.615 -4.512 -2.316 1.00 0.00 C ATOM 624 O LYS A 46 -10.620 -3.307 -2.562 1.00 0.00 O ATOM 625 CB LYS A 46 -12.382 -6.031 -3.226 1.00 0.00 C ATOM 626 CG LYS A 46 -12.834 -6.978 -4.325 1.00 0.00 C ATOM 627 CD LYS A 46 -14.164 -7.629 -3.986 1.00 0.00 C ATOM 628 CE LYS A 46 -15.296 -6.613 -3.972 1.00 0.00 C ATOM 629 NZ LYS A 46 -15.342 -5.851 -2.693 1.00 0.00 N ATOM 0 H LYS A 46 -10.439 -7.561 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.851 -5.047 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.468 -6.536 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.055 -5.174 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.924 -6.431 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.078 -7.749 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.384 -8.410 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.096 -8.112 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.172 -5.919 -4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.246 -7.126 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.323 -5.809 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.747 -6.326 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.989 -4.886 -2.851 1.00 0.00 H new ATOM 643 N GLU A 47 -10.328 -5.005 -1.115 1.00 0.00 N ATOM 644 CA GLU A 47 -9.994 -4.135 0.007 1.00 0.00 C ATOM 645 C GLU A 47 -8.947 -3.101 -0.398 1.00 0.00 C ATOM 646 O GLU A 47 -9.129 -1.901 -0.188 1.00 0.00 O ATOM 647 CB GLU A 47 -9.480 -4.962 1.187 1.00 0.00 C ATOM 648 CG GLU A 47 -8.547 -4.194 2.108 1.00 0.00 C ATOM 649 CD GLU A 47 -8.525 -4.756 3.517 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.447 -5.523 3.863 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.586 -4.428 4.272 1.00 0.00 O ATOM 0 H GLU A 47 -10.320 -6.001 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.900 -3.610 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.331 -5.323 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.958 -5.840 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.538 -4.215 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.855 -3.149 2.142 1.00 0.00 H new ATOM 658 N LEU A 48 -7.851 -3.575 -0.980 1.00 0.00 N ATOM 659 CA LEU A 48 -6.774 -2.693 -1.415 1.00 0.00 C ATOM 660 C LEU A 48 -7.282 -1.671 -2.427 1.00 0.00 C ATOM 661 O LEU A 48 -7.023 -0.473 -2.298 1.00 0.00 O ATOM 662 CB LEU A 48 -5.634 -3.510 -2.026 1.00 0.00 C ATOM 663 CG LEU A 48 -4.674 -4.169 -1.036 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.786 -5.180 -1.745 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.831 -3.118 -0.330 1.00 0.00 C ATOM 0 H LEU A 48 -7.685 -4.565 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.401 -2.158 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.068 -4.289 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.057 -2.857 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.263 -4.697 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.109 -5.639 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.406 -5.951 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.205 -4.676 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.154 -3.606 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.252 -2.561 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.483 -2.433 0.212 1.00 0.00 H new ATOM 677 N CYS A 49 -8.006 -2.150 -3.431 1.00 0.00 N ATOM 678 CA CYS A 49 -8.552 -1.278 -4.465 1.00 0.00 C ATOM 679 C CYS A 49 -9.257 -0.076 -3.845 1.00 0.00 C ATOM 680 O CYS A 49 -9.265 1.013 -4.418 1.00 0.00 O ATOM 681 CB CYS A 49 -9.526 -2.053 -5.354 1.00 0.00 C ATOM 682 SG CYS A 49 -8.821 -3.543 -6.097 1.00 0.00 S ATOM 0 H CYS A 49 -8.229 -3.138 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.724 -0.917 -5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.398 -2.333 -4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.878 -1.395 -6.149 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.822 -4.506 -5.223 1.00 0.00 H new ATOM 688 N GLN A 50 -9.850 -0.283 -2.674 1.00 0.00 N ATOM 689 CA GLN A 50 -10.560 0.784 -1.978 1.00 0.00 C ATOM 690 C GLN A 50 -9.586 1.688 -1.230 1.00 0.00 C ATOM 691 O GLN A 50 -9.428 2.862 -1.568 1.00 0.00 O ATOM 692 CB GLN A 50 -11.579 0.194 -1.001 1.00 0.00 C ATOM 693 CG GLN A 50 -12.578 -0.745 -1.658 1.00 0.00 C ATOM 694 CD GLN A 50 -13.806 -0.982 -0.801 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.524 -0.044 -0.451 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.054 -2.240 -0.457 1.00 0.00 N ATOM 0 H GLN A 50 -9.853 -1.179 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.085 1.383 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.048 -0.345 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.121 1.008 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.884 -0.330 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.093 -1.699 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.433 -2.986 -0.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.866 -2.460 0.120 1.00 0.00 H new ATOM 705 N VAL A 51 -8.934 1.135 -0.213 1.00 0.00 N ATOM 706 CA VAL A 51 -7.974 1.892 0.583 1.00 0.00 C ATOM 707 C VAL A 51 -6.927 2.555 -0.305 1.00 0.00 C ATOM 708 O VAL A 51 -6.719 3.767 -0.238 1.00 0.00 O ATOM 709 CB VAL A 51 -7.264 0.992 1.611 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.234 1.789 2.397 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.278 0.348 2.545 1.00 0.00 C ATOM 0 H VAL A 51 -9.053 0.165 0.080 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.537 2.661 1.112 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.743 0.199 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.742 1.137 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.491 2.198 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.730 2.604 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.759 -0.285 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.829 1.125 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.974 -0.258 1.965 1.00 0.00 H new ATOM 721 N VAL A 52 -6.270 1.753 -1.136 1.00 0.00 N ATOM 722 CA VAL A 52 -5.245 2.262 -2.039 1.00 0.00 C ATOM 723 C VAL A 52 -5.865 3.046 -3.190 1.00 0.00 C ATOM 724 O VAL A 52 -5.172 3.765 -3.910 1.00 0.00 O ATOM 725 CB VAL A 52 -4.386 1.120 -2.615 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.081 1.663 -3.176 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.121 0.065 -1.551 1.00 0.00 C ATOM 0 H VAL A 52 -6.429 0.748 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.609 2.925 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.936 0.651 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.488 0.842 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.296 2.378 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.522 2.159 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.513 -0.734 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.592 0.518 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.068 -0.346 -1.202 1.00 0.00 H new ATOM 737 N ARG A 53 -7.176 2.903 -3.357 1.00 0.00 N ATOM 738 CA ARG A 53 -7.891 3.598 -4.420 1.00 0.00 C ATOM 739 C ARG A 53 -7.321 3.232 -5.788 1.00 0.00 C ATOM 740 O ARG A 53 -6.955 4.107 -6.574 1.00 0.00 O ATOM 741 CB ARG A 53 -7.814 5.111 -4.212 1.00 0.00 C ATOM 742 CG ARG A 53 -8.390 5.573 -2.884 1.00 0.00 C ATOM 743 CD ARG A 53 -8.904 7.002 -2.966 1.00 0.00 C ATOM 744 NE ARG A 53 -7.865 7.977 -2.647 1.00 0.00 N ATOM 745 CZ ARG A 53 -7.992 9.283 -2.856 1.00 0.00 C ATOM 746 NH1 ARG A 53 -9.110 9.767 -3.380 1.00 0.00 N ATOM 747 NH2 ARG A 53 -7.002 10.107 -2.539 1.00 0.00 N ATOM 0 H ARG A 53 -7.764 2.312 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.935 3.287 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.772 5.425 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.347 5.608 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.203 4.909 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.625 5.504 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.285 7.193 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.741 7.126 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.993 7.637 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.874 9.136 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.206 10.770 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.141 9.738 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.101 11.109 -2.700 1.00 0.00 H new ATOM 761 N LEU A 54 -7.247 1.935 -6.064 1.00 0.00 N ATOM 762 CA LEU A 54 -6.721 1.453 -7.337 1.00 0.00 C ATOM 763 C LEU A 54 -7.723 0.534 -8.028 1.00 0.00 C ATOM 764 O LEU A 54 -8.435 -0.229 -7.374 1.00 0.00 O ATOM 765 CB LEU A 54 -5.400 0.712 -7.117 1.00 0.00 C ATOM 766 CG LEU A 54 -4.427 0.712 -8.296 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.091 0.111 -7.885 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.016 -0.050 -9.474 1.00 0.00 C ATOM 0 H LEU A 54 -7.544 1.198 -5.424 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.545 2.316 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.897 1.154 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.625 -0.322 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.259 1.744 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.411 0.119 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.662 0.698 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.241 -0.915 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.310 -0.039 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.214 -1.080 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.947 0.423 -9.784 1.00 0.00 H new ATOM 780 N VAL A 55 -7.773 0.612 -9.354 1.00 0.00 N ATOM 781 CA VAL A 55 -8.686 -0.215 -10.134 1.00 0.00 C ATOM 782 C VAL A 55 -8.416 -1.697 -9.906 1.00 0.00 C ATOM 783 O VAL A 55 -7.274 -2.155 -9.919 1.00 0.00 O ATOM 784 CB VAL A 55 -8.571 0.091 -11.640 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.374 -0.915 -12.451 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.030 1.511 -11.931 1.00 0.00 C ATOM 0 H VAL A 55 -7.192 1.239 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.695 0.023 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.524 0.005 -11.933 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.281 -0.684 -13.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.994 -1.919 -12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.423 -0.864 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.942 1.710 -12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.070 1.627 -11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.408 2.215 -11.378 1.00 0.00 H new ATOM 796 N PRO A 56 -9.493 -2.468 -9.691 1.00 0.00 N ATOM 797 CA PRO A 56 -9.399 -3.912 -9.456 1.00 0.00 C ATOM 798 C PRO A 56 -8.979 -4.677 -10.707 1.00 0.00 C ATOM 799 O PRO A 56 -8.194 -5.621 -10.635 1.00 0.00 O ATOM 800 CB PRO A 56 -10.822 -4.299 -9.046 1.00 0.00 C ATOM 801 CG PRO A 56 -11.690 -3.260 -9.667 1.00 0.00 C ATOM 802 CD PRO A 56 -10.885 -1.990 -9.662 1.00 0.00 C ATOM 0 HA PRO A 56 -8.644 -4.154 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.080 -5.296 -9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.932 -4.311 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.969 -3.541 -10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.615 -3.138 -9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.114 -1.366 -10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.086 -1.391 -8.774 1.00 0.00 H new ATOM 810 N GLY A 57 -9.507 -4.261 -11.854 1.00 0.00 N ATOM 811 CA GLY A 57 -9.175 -4.919 -13.105 1.00 0.00 C ATOM 812 C GLY A 57 -7.706 -4.790 -13.455 1.00 0.00 C ATOM 813 O GLY A 57 -7.172 -5.588 -14.224 1.00 0.00 O ATOM 0 H GLY A 57 -10.158 -3.481 -11.940 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.438 -5.975 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.776 -4.491 -13.908 1.00 0.00 H new ATOM 817 N ALA A 58 -7.051 -3.780 -12.891 1.00 0.00 N ATOM 818 CA ALA A 58 -5.635 -3.550 -13.148 1.00 0.00 C ATOM 819 C ALA A 58 -4.766 -4.281 -12.130 1.00 0.00 C ATOM 820 O ALA A 58 -3.763 -4.900 -12.486 1.00 0.00 O ATOM 821 CB ALA A 58 -5.331 -2.059 -13.129 1.00 0.00 C ATOM 0 H ALA A 58 -7.479 -3.108 -12.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.402 -3.946 -14.137 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.270 -1.902 -13.322 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.918 -1.558 -13.899 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.587 -1.648 -12.152 1.00 0.00 H new ATOM 827 N TYR A 59 -5.157 -4.205 -10.863 1.00 0.00 N ATOM 828 CA TYR A 59 -4.412 -4.858 -9.792 1.00 0.00 C ATOM 829 C TYR A 59 -4.033 -6.283 -10.183 1.00 0.00 C ATOM 830 O TYR A 59 -3.017 -6.813 -9.732 1.00 0.00 O ATOM 831 CB TYR A 59 -5.237 -4.872 -8.504 1.00 0.00 C ATOM 832 CG TYR A 59 -4.649 -5.745 -7.419 1.00 0.00 C ATOM 833 CD1 TYR A 59 -4.984 -7.090 -7.323 1.00 0.00 C ATOM 834 CD2 TYR A 59 -3.756 -5.225 -6.490 1.00 0.00 C ATOM 835 CE1 TYR A 59 -4.450 -7.891 -6.332 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.215 -6.019 -5.497 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.565 -7.351 -5.422 1.00 0.00 C ATOM 838 OH TYR A 59 -3.030 -8.146 -4.434 1.00 0.00 O ATOM 0 H TYR A 59 -5.985 -3.698 -10.552 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.496 -4.292 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.328 -3.852 -8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.245 -5.219 -8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.674 -7.517 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.480 -4.182 -6.545 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.724 -8.934 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.522 -5.599 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.106 -7.690 -3.570 1.00 0.00 H new ATOM 848 N LEU A 60 -4.857 -6.897 -11.025 1.00 0.00 N ATOM 849 CA LEU A 60 -4.609 -8.261 -11.479 1.00 0.00 C ATOM 850 C LEU A 60 -3.463 -8.301 -12.485 1.00 0.00 C ATOM 851 O LEU A 60 -2.676 -9.246 -12.506 1.00 0.00 O ATOM 852 CB LEU A 60 -5.874 -8.849 -12.106 1.00 0.00 C ATOM 853 CG LEU A 60 -7.125 -8.841 -11.226 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.357 -9.191 -12.047 1.00 0.00 C ATOM 855 CD2 LEU A 60 -6.965 -9.807 -10.062 1.00 0.00 C ATOM 0 H LEU A 60 -5.702 -6.472 -11.407 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.328 -8.860 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.093 -8.296 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.666 -9.878 -12.398 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.256 -7.837 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.237 -9.180 -11.404 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.482 -8.460 -12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.236 -10.184 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.865 -9.788 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.809 -10.815 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.107 -9.511 -9.459 1.00 0.00 H new ATOM 867 N GLU A 61 -3.377 -7.267 -13.316 1.00 0.00 N ATOM 868 CA GLU A 61 -2.326 -7.184 -14.324 1.00 0.00 C ATOM 869 C GLU A 61 -0.949 -7.113 -13.670 1.00 0.00 C ATOM 870 O GLU A 61 0.033 -7.622 -14.210 1.00 0.00 O ATOM 871 CB GLU A 61 -2.542 -5.961 -15.218 1.00 0.00 C ATOM 872 CG GLU A 61 -3.429 -6.235 -16.421 1.00 0.00 C ATOM 873 CD GLU A 61 -3.992 -4.966 -17.032 1.00 0.00 C ATOM 874 OE1 GLU A 61 -4.356 -4.050 -16.267 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.066 -4.891 -18.276 1.00 0.00 O ATOM 0 H GLU A 61 -4.021 -6.476 -13.311 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.372 -8.085 -14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.986 -5.162 -14.625 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.574 -5.600 -15.566 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.855 -6.774 -17.175 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.251 -6.885 -16.121 1.00 0.00 H new ATOM 882 N TYR A 62 -0.886 -6.478 -12.505 1.00 0.00 N ATOM 883 CA TYR A 62 0.370 -6.337 -11.779 1.00 0.00 C ATOM 884 C TYR A 62 0.802 -7.669 -11.175 1.00 0.00 C ATOM 885 O TYR A 62 1.994 -7.959 -11.069 1.00 0.00 O ATOM 886 CB TYR A 62 0.230 -5.286 -10.676 1.00 0.00 C ATOM 887 CG TYR A 62 -0.443 -4.012 -11.135 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.309 -3.565 -12.443 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.215 -3.257 -10.260 1.00 0.00 C ATOM 890 CE1 TYR A 62 -0.922 -2.401 -12.867 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.833 -2.093 -10.675 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.683 -1.669 -11.979 1.00 0.00 C ATOM 893 OH TYR A 62 -2.296 -0.511 -12.397 1.00 0.00 O ATOM 0 H TYR A 62 -1.690 -6.053 -12.043 1.00 0.00 H new ATOM 0 HA TYR A 62 1.135 -6.014 -12.485 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.341 -5.712 -9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.220 -5.045 -10.288 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.284 -4.137 -13.141 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.334 -3.586 -9.238 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.806 -2.066 -13.887 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.430 -1.518 -9.982 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.511 -0.580 -13.351 1.00 0.00 H new ATOM 903 N LYS A 63 -0.176 -8.478 -10.780 1.00 0.00 N ATOM 904 CA LYS A 63 0.100 -9.781 -10.188 1.00 0.00 C ATOM 905 C LYS A 63 0.950 -10.635 -11.124 1.00 0.00 C ATOM 906 O LYS A 63 1.919 -11.263 -10.698 1.00 0.00 O ATOM 907 CB LYS A 63 -1.209 -10.506 -9.867 1.00 0.00 C ATOM 908 CG LYS A 63 -2.116 -9.734 -8.924 1.00 0.00 C ATOM 909 CD LYS A 63 -1.749 -9.981 -7.471 1.00 0.00 C ATOM 910 CE LYS A 63 -2.259 -11.330 -6.988 1.00 0.00 C ATOM 911 NZ LYS A 63 -1.263 -12.414 -7.216 1.00 0.00 N ATOM 0 H LYS A 63 -1.168 -8.253 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 63 0.656 -9.622 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.745 -10.699 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.979 -11.475 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.046 -8.668 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.152 -10.027 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.666 -9.938 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.167 -9.189 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.494 -11.270 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.186 -11.574 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.303 -13.093 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.481 -12.904 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.309 -12.003 -7.271 1.00 0.00 H new ATOM 925 N SER A 64 0.581 -10.651 -12.401 1.00 0.00 N ATOM 926 CA SER A 64 1.308 -11.430 -13.397 1.00 0.00 C ATOM 927 C SER A 64 2.759 -10.968 -13.494 1.00 0.00 C ATOM 928 O SER A 64 3.681 -11.704 -13.143 1.00 0.00 O ATOM 929 CB SER A 64 0.631 -11.310 -14.763 1.00 0.00 C ATOM 930 OG SER A 64 -0.036 -10.066 -14.894 1.00 0.00 O ATOM 0 H SER A 64 -0.217 -10.134 -12.770 1.00 0.00 H new ATOM 0 HA SER A 64 1.297 -12.474 -13.085 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.376 -11.412 -15.552 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.082 -12.124 -14.892 1.00 0.00 H new ATOM 0 HG SER A 64 0.428 -9.388 -14.359 1.00 0.00 H new ATOM 936 N ALA A 65 2.953 -9.744 -13.973 1.00 0.00 N ATOM 937 CA ALA A 65 4.291 -9.182 -14.115 1.00 0.00 C ATOM 938 C ALA A 65 5.087 -9.328 -12.822 1.00 0.00 C ATOM 939 O ALA A 65 6.143 -9.961 -12.800 1.00 0.00 O ATOM 940 CB ALA A 65 4.208 -7.719 -14.524 1.00 0.00 C ATOM 0 H ALA A 65 2.201 -9.122 -14.269 1.00 0.00 H new ATOM 0 HA ALA A 65 4.811 -9.737 -14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.214 -7.312 -14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.685 -7.637 -15.477 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.666 -7.159 -13.762 1.00 0.00 H new ATOM 946 N LEU A 66 4.575 -8.737 -11.748 1.00 0.00 N ATOM 947 CA LEU A 66 5.240 -8.801 -10.451 1.00 0.00 C ATOM 948 C LEU A 66 5.646 -10.233 -10.117 1.00 0.00 C ATOM 949 O LEU A 66 6.787 -10.492 -9.733 1.00 0.00 O ATOM 950 CB LEU A 66 4.321 -8.251 -9.358 1.00 0.00 C ATOM 951 CG LEU A 66 4.136 -6.734 -9.337 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.602 -6.279 -7.988 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.448 -6.032 -9.657 1.00 0.00 C ATOM 0 H LEU A 66 3.703 -8.209 -11.749 1.00 0.00 H new ATOM 0 HA LEU A 66 6.141 -8.190 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.341 -8.715 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.714 -8.562 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 66 3.407 -6.466 -10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.477 -5.196 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.640 -6.755 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.306 -6.560 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.297 -4.953 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.198 -6.307 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.790 -6.333 -10.647 1.00 0.00 H new ATOM 965 N LEU A 67 4.706 -11.159 -10.267 1.00 0.00 N ATOM 966 CA LEU A 67 4.967 -12.566 -9.984 1.00 0.00 C ATOM 967 C LEU A 67 5.882 -13.175 -11.042 1.00 0.00 C ATOM 968 O LEU A 67 6.569 -14.163 -10.788 1.00 0.00 O ATOM 969 CB LEU A 67 3.652 -13.346 -9.921 1.00 0.00 C ATOM 970 CG LEU A 67 2.702 -12.970 -8.784 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.305 -13.506 -9.055 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.227 -13.493 -7.455 1.00 0.00 C ATOM 0 H LEU A 67 3.756 -10.961 -10.583 1.00 0.00 H new ATOM 0 HA LEU A 67 5.468 -12.630 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.127 -13.210 -10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.886 -14.407 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 67 2.647 -11.883 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.643 -13.228 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.927 -13.082 -9.985 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.342 -14.592 -9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.538 -13.216 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.313 -14.579 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.207 -13.060 -7.255 1.00 0.00 H new ATOM 984 N ASN A 68 5.886 -12.576 -12.229 1.00 0.00 N ATOM 985 CA ASN A 68 6.718 -13.058 -13.325 1.00 0.00 C ATOM 986 C ASN A 68 8.197 -12.987 -12.957 1.00 0.00 C ATOM 987 O ASN A 68 8.911 -13.987 -13.024 1.00 0.00 O ATOM 988 CB ASN A 68 6.456 -12.238 -14.590 1.00 0.00 C ATOM 989 CG ASN A 68 6.684 -13.040 -15.857 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.801 -13.474 -16.137 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.622 -13.241 -16.629 1.00 0.00 N ATOM 0 H ASN A 68 5.323 -11.757 -12.456 1.00 0.00 H new ATOM 0 HA ASN A 68 6.458 -14.100 -13.515 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.430 -11.871 -14.576 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.107 -11.364 -14.594 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.714 -13.774 -17.494 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.715 -12.862 -16.357 1.00 0.00 H new ATOM 998 N GLU A 69 8.648 -11.798 -12.569 1.00 0.00 N ATOM 999 CA GLU A 69 10.042 -11.598 -12.191 1.00 0.00 C ATOM 1000 C GLU A 69 10.396 -12.426 -10.959 1.00 0.00 C ATOM 1001 O GLU A 69 11.319 -13.241 -10.990 1.00 0.00 O ATOM 1002 CB GLU A 69 10.312 -10.117 -11.918 1.00 0.00 C ATOM 1003 CG GLU A 69 10.764 -9.344 -13.145 1.00 0.00 C ATOM 1004 CD GLU A 69 9.768 -9.423 -14.285 1.00 0.00 C ATOM 1005 OE1 GLU A 69 8.556 -9.539 -14.005 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.199 -9.370 -15.455 1.00 0.00 O ATOM 0 H GLU A 69 8.069 -10.960 -12.508 1.00 0.00 H new ATOM 0 HA GLU A 69 10.667 -11.927 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.406 -9.658 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.075 -10.032 -11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.919 -8.299 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.726 -9.732 -13.480 1.00 0.00 H new ATOM 1013 N CYS A 70 9.657 -12.211 -9.877 1.00 0.00 N ATOM 1014 CA CYS A 70 9.894 -12.936 -8.633 1.00 0.00 C ATOM 1015 C CYS A 70 9.823 -14.443 -8.860 1.00 0.00 C ATOM 1016 O CYS A 70 10.227 -15.230 -8.004 1.00 0.00 O ATOM 1017 CB CYS A 70 8.872 -12.519 -7.574 1.00 0.00 C ATOM 1018 SG CYS A 70 8.805 -13.620 -6.141 1.00 0.00 S ATOM 0 H CYS A 70 8.889 -11.541 -9.835 1.00 0.00 H new ATOM 0 HA CYS A 70 10.895 -12.687 -8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.108 -11.511 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.885 -12.477 -8.034 1.00 0.00 H new ATOM 0 HG CYS A 70 9.384 -14.747 -6.432 1.00 0.00 H new ATOM 1024 N HIS A 71 9.305 -14.837 -10.019 1.00 0.00 N ATOM 1025 CA HIS A 71 9.180 -16.250 -10.359 1.00 0.00 C ATOM 1026 C HIS A 71 10.464 -16.771 -10.998 1.00 0.00 C ATOM 1027 O HIS A 71 10.731 -17.973 -10.989 1.00 0.00 O ATOM 1028 CB HIS A 71 8.001 -16.466 -11.308 1.00 0.00 C ATOM 1029 CG HIS A 71 6.709 -16.749 -10.604 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.242 -16.324 -9.406 1.00 0.00 N flip ATOM 1031 CD2 HIS A 71 5.727 -17.560 -11.130 1.00 0.00 C flip ATOM 1032 CE1 HIS A 71 4.999 -16.880 -9.234 1.00 0.00 C flip ATOM 1033 NE2 HIS A 71 4.711 -17.621 -10.288 1.00 0.00 N flip ATOM 0 H HIS A 71 8.965 -14.198 -10.738 1.00 0.00 H new ATOM 0 HA HIS A 71 9.002 -16.805 -9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.879 -15.580 -11.931 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.230 -17.296 -11.976 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.780 -18.067 -12.082 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.360 -16.735 -8.375 1.00 0.00 H new ATOM 0 HE2 HIS A 71 3.851 -18.150 -10.428 1.00 0.00 H new ATOM 1042 N LYS A 72 11.255 -15.859 -11.553 1.00 0.00 N ATOM 1043 CA LYS A 72 12.511 -16.225 -12.197 1.00 0.00 C ATOM 1044 C LYS A 72 13.680 -16.086 -11.227 1.00 0.00 C ATOM 1045 O LYS A 72 14.690 -16.777 -11.356 1.00 0.00 O ATOM 1046 CB LYS A 72 12.751 -15.350 -13.429 1.00 0.00 C ATOM 1047 CG LYS A 72 13.480 -14.054 -13.122 1.00 0.00 C ATOM 1048 CD LYS A 72 13.055 -12.939 -14.063 1.00 0.00 C ATOM 1049 CE LYS A 72 13.883 -12.940 -15.338 1.00 0.00 C ATOM 1050 NZ LYS A 72 13.419 -11.904 -16.302 1.00 0.00 N ATOM 0 H LYS A 72 11.048 -14.860 -11.570 1.00 0.00 H new ATOM 0 HA LYS A 72 12.440 -17.267 -12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.327 -15.917 -14.160 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.792 -15.117 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.280 -13.758 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.555 -14.212 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.000 -13.055 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.160 -11.977 -13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.930 -12.763 -15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.827 -13.923 -15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.009 -11.937 -17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.428 -12.087 -16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.496 -10.964 -15.865 1.00 0.00 H new ATOM 1064 N GLN A 73 13.534 -15.191 -10.256 1.00 0.00 N ATOM 1065 CA GLN A 73 14.578 -14.963 -9.264 1.00 0.00 C ATOM 1066 C GLN A 73 14.022 -15.086 -7.849 1.00 0.00 C ATOM 1067 O GLN A 73 14.469 -15.922 -7.066 1.00 0.00 O ATOM 1068 CB GLN A 73 15.204 -13.581 -9.460 1.00 0.00 C ATOM 1069 CG GLN A 73 14.187 -12.487 -9.741 1.00 0.00 C ATOM 1070 CD GLN A 73 14.784 -11.316 -10.497 1.00 0.00 C ATOM 1071 OE1 GLN A 73 14.948 -11.476 -11.805 1.00 0.00 O flip ATOM 1072 NE2 GLN A 73 15.096 -10.278 -9.911 1.00 0.00 N flip ATOM 0 H GLN A 73 12.703 -14.612 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 73 15.346 -15.725 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.771 -13.318 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.914 -13.627 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.361 -12.903 -10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.771 -12.132 -8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.953 -10.198 -8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.498 -9.499 -10.433 1.00 0.00 H new ATOM 1081 N GLY A 74 13.042 -14.246 -7.529 1.00 0.00 N ATOM 1082 CA GLY A 74 12.441 -14.277 -6.208 1.00 0.00 C ATOM 1083 C GLY A 74 12.705 -13.009 -5.421 1.00 0.00 C ATOM 1084 O GLY A 74 11.973 -12.687 -4.486 1.00 0.00 O ATOM 0 H GLY A 74 12.654 -13.545 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.365 -14.423 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.830 -15.132 -5.655 1.00 0.00 H new ATOM 1088 N GLY A 75 13.755 -12.287 -5.799 1.00 0.00 N ATOM 1089 CA GLY A 75 14.097 -11.057 -5.110 1.00 0.00 C ATOM 1090 C GLY A 75 13.533 -9.830 -5.799 1.00 0.00 C ATOM 1091 O GLY A 75 14.188 -9.232 -6.653 1.00 0.00 O ATOM 0 H GLY A 75 14.375 -12.532 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.722 -11.100 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.182 -10.969 -5.048 1.00 0.00 H new ATOM 1095 N LEU A 76 12.313 -9.455 -5.430 1.00 0.00 N ATOM 1096 CA LEU A 76 11.659 -8.292 -6.020 1.00 0.00 C ATOM 1097 C LEU A 76 11.274 -7.281 -4.946 1.00 0.00 C ATOM 1098 O LEU A 76 10.466 -7.574 -4.064 1.00 0.00 O ATOM 1099 CB LEU A 76 10.416 -8.723 -6.801 1.00 0.00 C ATOM 1100 CG LEU A 76 10.032 -7.844 -7.991 1.00 0.00 C ATOM 1101 CD1 LEU A 76 10.939 -8.128 -9.179 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.574 -8.061 -8.367 1.00 0.00 C ATOM 0 H LEU A 76 11.757 -9.939 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 76 12.363 -7.817 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.573 -9.740 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.572 -8.756 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 76 10.160 -6.801 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.651 -7.493 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.973 -7.920 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.844 -9.175 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.319 -7.427 -9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.419 -9.106 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.938 -7.806 -7.520 1.00 0.00 H new ATOM 1114 N ARG A 77 11.855 -6.088 -5.028 1.00 0.00 N ATOM 1115 CA ARG A 77 11.572 -5.033 -4.063 1.00 0.00 C ATOM 1116 C ARG A 77 10.692 -3.951 -4.683 1.00 0.00 C ATOM 1117 O ARG A 77 10.440 -3.957 -5.889 1.00 0.00 O ATOM 1118 CB ARG A 77 12.875 -4.415 -3.553 1.00 0.00 C ATOM 1119 CG ARG A 77 13.894 -4.152 -4.650 1.00 0.00 C ATOM 1120 CD ARG A 77 15.002 -3.227 -4.170 1.00 0.00 C ATOM 1121 NE ARG A 77 15.916 -3.899 -3.250 1.00 0.00 N ATOM 1122 CZ ARG A 77 17.014 -3.333 -2.761 1.00 0.00 C ATOM 1123 NH1 ARG A 77 17.332 -2.093 -3.102 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.795 -4.009 -1.928 1.00 0.00 N ATOM 0 H ARG A 77 12.524 -5.829 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 77 11.036 -5.477 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.649 -3.477 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.316 -5.080 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.325 -5.097 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.396 -3.708 -5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.561 -2.855 -5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.562 -2.361 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 77 15.700 -4.855 -2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.733 -1.570 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.176 -1.661 -2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.552 -4.964 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.638 -3.574 -1.553 1.00 0.00 H new ATOM 1138 N LEU A 78 10.229 -3.024 -3.852 1.00 0.00 N ATOM 1139 CA LEU A 78 9.377 -1.935 -4.319 1.00 0.00 C ATOM 1140 C LEU A 78 9.912 -1.343 -5.619 1.00 0.00 C ATOM 1141 O LEU A 78 9.211 -1.303 -6.629 1.00 0.00 O ATOM 1142 CB LEU A 78 9.279 -0.844 -3.251 1.00 0.00 C ATOM 1143 CG LEU A 78 8.326 0.311 -3.557 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.888 -0.180 -3.598 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.484 1.420 -2.526 1.00 0.00 C ATOM 0 H LEU A 78 10.429 -3.004 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 78 8.383 -2.340 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.968 -1.307 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.275 -0.433 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 78 8.578 0.715 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.224 0.656 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.784 -0.938 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.623 -0.610 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.798 2.234 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.259 1.029 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.508 1.792 -2.546 1.00 0.00 H new ATOM 1157 N ALA A 79 11.160 -0.887 -5.585 1.00 0.00 N ATOM 1158 CA ALA A 79 11.791 -0.302 -6.762 1.00 0.00 C ATOM 1159 C ALA A 79 11.528 -1.147 -8.004 1.00 0.00 C ATOM 1160 O ALA A 79 11.158 -0.623 -9.054 1.00 0.00 O ATOM 1161 CB ALA A 79 13.288 -0.145 -6.535 1.00 0.00 C ATOM 0 H ALA A 79 11.754 -0.911 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 79 11.354 0.683 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.747 0.293 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.460 0.507 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.731 -1.122 -6.342 1.00 0.00 H new ATOM 1167 N GLN A 80 11.722 -2.455 -7.875 1.00 0.00 N ATOM 1168 CA GLN A 80 11.506 -3.372 -8.989 1.00 0.00 C ATOM 1169 C GLN A 80 10.024 -3.470 -9.334 1.00 0.00 C ATOM 1170 O GLN A 80 9.649 -3.486 -10.506 1.00 0.00 O ATOM 1171 CB GLN A 80 12.056 -4.758 -8.650 1.00 0.00 C ATOM 1172 CG GLN A 80 13.448 -4.728 -8.040 1.00 0.00 C ATOM 1173 CD GLN A 80 14.545 -4.821 -9.083 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.592 -3.844 -9.981 1.00 0.00 O flip ATOM 1175 NE2 GLN A 80 15.341 -5.760 -9.081 1.00 0.00 N flip ATOM 0 H GLN A 80 12.028 -2.904 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 80 12.037 -2.981 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.375 -5.250 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.079 -5.362 -9.557 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.571 -3.807 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.550 -5.554 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.268 -6.489 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.074 -5.809 -9.789 1.00 0.00 H new ATOM 1184 N ALA A 81 9.185 -3.537 -8.305 1.00 0.00 N ATOM 1185 CA ALA A 81 7.744 -3.632 -8.499 1.00 0.00 C ATOM 1186 C ALA A 81 7.220 -2.454 -9.314 1.00 0.00 C ATOM 1187 O ALA A 81 6.746 -2.626 -10.437 1.00 0.00 O ATOM 1188 CB ALA A 81 7.034 -3.704 -7.155 1.00 0.00 C ATOM 0 H ALA A 81 9.479 -3.527 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 81 7.537 -4.546 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.958 -3.775 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.378 -4.582 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.257 -2.807 -6.577 1.00 0.00 H new ATOM 1194 N ARG A 82 7.310 -1.258 -8.741 1.00 0.00 N ATOM 1195 CA ARG A 82 6.843 -0.052 -9.414 1.00 0.00 C ATOM 1196 C ARG A 82 7.497 0.093 -10.785 1.00 0.00 C ATOM 1197 O ARG A 82 7.051 0.885 -11.615 1.00 0.00 O ATOM 1198 CB ARG A 82 7.144 1.182 -8.561 1.00 0.00 C ATOM 1199 CG ARG A 82 8.506 1.797 -8.838 1.00 0.00 C ATOM 1200 CD ARG A 82 8.957 2.691 -7.693 1.00 0.00 C ATOM 1201 NE ARG A 82 10.384 2.993 -7.765 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.983 3.898 -6.998 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.282 4.585 -6.107 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.286 4.116 -7.122 1.00 0.00 N ATOM 0 H ARG A 82 7.702 -1.099 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 82 5.765 -0.137 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.373 1.932 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.086 0.908 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.239 1.005 -8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.464 2.378 -9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.388 3.621 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.737 2.203 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 82 10.952 2.482 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.280 4.420 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.744 5.279 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.828 3.589 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.745 4.811 -6.533 1.00 0.00 H new ATOM 1218 N ALA A 83 8.555 -0.677 -11.015 1.00 0.00 N ATOM 1219 CA ALA A 83 9.269 -0.636 -12.285 1.00 0.00 C ATOM 1220 C ALA A 83 8.519 -1.413 -13.361 1.00 0.00 C ATOM 1221 O ALA A 83 8.349 -0.934 -14.483 1.00 0.00 O ATOM 1222 CB ALA A 83 10.677 -1.187 -12.117 1.00 0.00 C ATOM 0 H ALA A 83 8.937 -1.337 -10.338 1.00 0.00 H new ATOM 0 HA ALA A 83 9.334 0.404 -12.604 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.199 -1.150 -13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.218 -0.587 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.625 -2.220 -11.772 1.00 0.00 H new ATOM 1228 N LEU A 84 8.073 -2.616 -13.014 1.00 0.00 N ATOM 1229 CA LEU A 84 7.342 -3.461 -13.951 1.00 0.00 C ATOM 1230 C LEU A 84 5.966 -2.875 -14.253 1.00 0.00 C ATOM 1231 O LEU A 84 5.538 -2.834 -15.406 1.00 0.00 O ATOM 1232 CB LEU A 84 7.195 -4.874 -13.386 1.00 0.00 C ATOM 1233 CG LEU A 84 8.461 -5.731 -13.381 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.321 -6.886 -12.402 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.760 -6.248 -14.781 1.00 0.00 C ATOM 0 H LEU A 84 8.205 -3.028 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 84 7.909 -3.506 -14.881 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.828 -4.798 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.430 -5.396 -13.961 1.00 0.00 H new ATOM 0 HG LEU A 84 9.296 -5.109 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.232 -7.484 -12.413 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.156 -6.494 -11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.475 -7.508 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.664 -6.856 -14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.924 -6.853 -15.131 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.906 -5.405 -15.457 1.00 0.00 H new ATOM 1247 N ILE A 85 5.280 -2.423 -13.209 1.00 0.00 N ATOM 1248 CA ILE A 85 3.954 -1.837 -13.362 1.00 0.00 C ATOM 1249 C ILE A 85 4.039 -0.433 -13.952 1.00 0.00 C ATOM 1250 O ILE A 85 3.130 0.015 -14.652 1.00 0.00 O ATOM 1251 CB ILE A 85 3.208 -1.772 -12.017 1.00 0.00 C ATOM 1252 CG1 ILE A 85 4.025 -0.981 -10.993 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.919 -3.174 -11.503 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.480 -1.072 -9.585 1.00 0.00 C ATOM 0 H ILE A 85 5.620 -2.451 -12.248 1.00 0.00 H new ATOM 0 HA ILE A 85 3.400 -2.483 -14.044 1.00 0.00 H new ATOM 0 HB ILE A 85 2.258 -1.259 -12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.052 -1.345 -11.001 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.056 0.066 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.391 -3.111 -10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.301 -3.706 -12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.857 -3.711 -11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.109 -0.488 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.463 -0.681 -9.563 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.475 -2.113 -9.263 1.00 0.00 H new ATOM 1266 N LYS A 86 5.137 0.257 -13.667 1.00 0.00 N ATOM 1267 CA LYS A 86 5.344 1.610 -14.171 1.00 0.00 C ATOM 1268 C LYS A 86 4.232 2.542 -13.702 1.00 0.00 C ATOM 1269 O LYS A 86 3.682 3.312 -14.489 1.00 0.00 O ATOM 1270 CB LYS A 86 5.406 1.602 -15.701 1.00 0.00 C ATOM 1271 CG LYS A 86 6.489 0.697 -16.261 1.00 0.00 C ATOM 1272 CD LYS A 86 7.867 1.322 -16.121 1.00 0.00 C ATOM 1273 CE LYS A 86 7.907 2.721 -16.717 1.00 0.00 C ATOM 1274 NZ LYS A 86 7.555 3.762 -15.712 1.00 0.00 N ATOM 0 H LYS A 86 5.899 -0.098 -13.089 1.00 0.00 H new ATOM 0 HA LYS A 86 6.291 1.977 -13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.440 1.285 -16.094 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.575 2.619 -16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.469 -0.261 -15.741 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.286 0.493 -17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.142 1.366 -15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.605 0.692 -16.617 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.904 2.919 -17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.214 2.778 -17.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.705 4.273 -16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.369 3.310 -14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.345 4.431 -15.614 1.00 0.00 H new ATOM 1288 N ILE A 87 3.907 2.466 -12.416 1.00 0.00 N ATOM 1289 CA ILE A 87 2.862 3.305 -11.842 1.00 0.00 C ATOM 1290 C ILE A 87 3.345 3.990 -10.567 1.00 0.00 C ATOM 1291 O ILE A 87 4.289 3.531 -9.924 1.00 0.00 O ATOM 1292 CB ILE A 87 1.595 2.489 -11.525 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.850 1.550 -10.343 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.153 1.701 -12.749 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.618 1.285 -9.506 1.00 0.00 C ATOM 0 H ILE A 87 4.352 1.832 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 87 2.619 4.061 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 87 0.795 3.177 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.235 0.602 -10.719 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.625 1.980 -9.708 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.256 1.129 -12.509 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.937 2.389 -13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.949 1.019 -13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.872 0.612 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.244 2.225 -9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.152 0.826 -10.127 1.00 0.00 H new ATOM 1307 N ASP A 88 2.689 5.088 -10.208 1.00 0.00 N ATOM 1308 CA ASP A 88 3.049 5.834 -9.008 1.00 0.00 C ATOM 1309 C ASP A 88 3.307 4.891 -7.837 1.00 0.00 C ATOM 1310 O ASP A 88 2.411 4.169 -7.399 1.00 0.00 O ATOM 1311 CB ASP A 88 1.941 6.825 -8.646 1.00 0.00 C ATOM 1312 CG ASP A 88 2.474 8.063 -7.953 1.00 0.00 C ATOM 1313 OD1 ASP A 88 2.772 7.983 -6.742 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.596 9.111 -8.621 1.00 0.00 O ATOM 0 H ASP A 88 1.906 5.481 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 88 3.966 6.385 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.411 7.119 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.216 6.333 -7.998 1.00 0.00 H new ATOM 1319 N VAL A 89 4.538 4.900 -7.336 1.00 0.00 N ATOM 1320 CA VAL A 89 4.914 4.045 -6.216 1.00 0.00 C ATOM 1321 C VAL A 89 3.909 4.160 -5.075 1.00 0.00 C ATOM 1322 O VAL A 89 3.612 3.179 -4.396 1.00 0.00 O ATOM 1323 CB VAL A 89 6.317 4.398 -5.688 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.329 5.801 -5.100 1.00 0.00 C ATOM 1325 CG2 VAL A 89 6.770 3.375 -4.657 1.00 0.00 C ATOM 0 H VAL A 89 5.292 5.490 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 89 4.921 3.020 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 89 7.018 4.374 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.328 6.033 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.050 6.520 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.617 5.856 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.763 3.639 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.069 3.365 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.802 2.386 -5.115 1.00 0.00 H new ATOM 1335 N ASN A 90 3.389 5.366 -4.872 1.00 0.00 N ATOM 1336 CA ASN A 90 2.416 5.610 -3.812 1.00 0.00 C ATOM 1337 C ASN A 90 1.299 4.572 -3.850 1.00 0.00 C ATOM 1338 O ASN A 90 0.609 4.349 -2.855 1.00 0.00 O ATOM 1339 CB ASN A 90 1.827 7.015 -3.946 1.00 0.00 C ATOM 1340 CG ASN A 90 2.755 8.086 -3.406 1.00 0.00 C ATOM 1341 OD1 ASN A 90 2.593 8.552 -2.278 1.00 0.00 O ATOM 1342 ND2 ASN A 90 3.734 8.481 -4.211 1.00 0.00 N ATOM 0 H ASN A 90 3.624 6.189 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 90 2.930 5.529 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.614 7.218 -4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.877 7.060 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.390 9.199 -3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.830 8.067 -5.138 1.00 0.00 H new ATOM 1349 N LYS A 91 1.126 3.939 -5.006 1.00 0.00 N ATOM 1350 CA LYS A 91 0.094 2.922 -5.175 1.00 0.00 C ATOM 1351 C LYS A 91 0.621 1.543 -4.790 1.00 0.00 C ATOM 1352 O LYS A 91 0.216 0.973 -3.776 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.401 2.905 -6.623 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.721 4.284 -7.173 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.826 4.227 -8.214 1.00 0.00 C ATOM 1356 CE LYS A 91 -3.199 4.388 -7.578 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.260 4.609 -8.599 1.00 0.00 N ATOM 0 H LYS A 91 1.687 4.112 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.738 3.170 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.358 2.439 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.293 2.282 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.022 4.941 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.176 4.717 -7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.672 5.013 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.779 3.276 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.436 3.498 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.182 5.229 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.185 4.680 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.066 5.490 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.271 3.811 -9.266 1.00 0.00 H new ATOM 1371 N THR A 92 1.527 1.012 -5.605 1.00 0.00 N ATOM 1372 CA THR A 92 2.109 -0.300 -5.350 1.00 0.00 C ATOM 1373 C THR A 92 2.626 -0.403 -3.919 1.00 0.00 C ATOM 1374 O THR A 92 2.607 -1.477 -3.318 1.00 0.00 O ATOM 1375 CB THR A 92 3.263 -0.601 -6.324 1.00 0.00 C ATOM 1376 OG1 THR A 92 3.954 -1.786 -5.912 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.238 0.565 -6.385 1.00 0.00 C ATOM 0 H THR A 92 1.874 1.471 -6.448 1.00 0.00 H new ATOM 0 HA THR A 92 1.316 -1.033 -5.501 1.00 0.00 H new ATOM 0 HB THR A 92 2.841 -0.753 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.686 -1.972 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.044 0.329 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.715 1.459 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.654 0.744 -5.393 1.00 0.00 H new ATOM 1385 N ARG A 93 3.086 0.721 -3.379 1.00 0.00 N ATOM 1386 CA ARG A 93 3.609 0.756 -2.018 1.00 0.00 C ATOM 1387 C ARG A 93 2.701 -0.017 -1.067 1.00 0.00 C ATOM 1388 O ARG A 93 3.168 -0.637 -0.111 1.00 0.00 O ATOM 1389 CB ARG A 93 3.751 2.203 -1.542 1.00 0.00 C ATOM 1390 CG ARG A 93 5.121 2.802 -1.814 1.00 0.00 C ATOM 1391 CD ARG A 93 5.414 3.969 -0.884 1.00 0.00 C ATOM 1392 NE ARG A 93 6.813 4.383 -0.950 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.800 3.738 -0.339 1.00 0.00 C ATOM 1394 NH1 ARG A 93 7.543 2.653 0.379 1.00 0.00 N ATOM 1395 NH2 ARG A 93 9.048 4.176 -0.446 1.00 0.00 N ATOM 0 H ARG A 93 3.107 1.619 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 93 4.591 0.283 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.993 2.814 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.551 2.246 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.886 2.035 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.173 3.139 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.774 4.811 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.167 3.688 0.140 1.00 0.00 H new ATOM 0 HE ARG A 93 7.045 5.213 -1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.585 2.312 0.463 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.303 2.159 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.250 5.009 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.805 3.679 0.024 1.00 0.00 H new ATOM 1409 N LYS A 94 1.400 0.024 -1.335 1.00 0.00 N ATOM 1410 CA LYS A 94 0.425 -0.673 -0.504 1.00 0.00 C ATOM 1411 C LYS A 94 0.173 -2.083 -1.027 1.00 0.00 C ATOM 1412 O LYS A 94 -0.251 -2.966 -0.281 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.890 0.109 -0.460 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.701 1.616 -0.440 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.858 2.313 0.256 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.534 3.770 0.551 1.00 0.00 C ATOM 1417 NZ LYS A 94 -1.881 4.658 -0.593 1.00 0.00 N ATOM 0 H LYS A 94 0.996 0.533 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 94 0.831 -0.746 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.493 -0.162 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.451 -0.190 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.231 1.860 0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.613 1.986 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.748 2.257 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.090 1.795 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.080 4.091 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.472 3.867 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.939 5.643 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.148 4.581 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.799 4.371 -0.989 1.00 0.00 H new ATOM 1431 N ILE A 95 0.438 -2.288 -2.313 1.00 0.00 N ATOM 1432 CA ILE A 95 0.242 -3.592 -2.934 1.00 0.00 C ATOM 1433 C ILE A 95 1.417 -4.520 -2.646 1.00 0.00 C ATOM 1434 O ILE A 95 1.253 -5.573 -2.029 1.00 0.00 O ATOM 1435 CB ILE A 95 0.062 -3.468 -4.459 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.081 -2.504 -4.783 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.199 -4.835 -5.075 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.147 -2.115 -6.243 1.00 0.00 C ATOM 0 H ILE A 95 0.789 -1.568 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.666 -4.014 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 95 0.981 -3.068 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.026 -2.964 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.968 -1.603 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.324 -4.731 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.645 -5.494 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.105 -5.261 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.981 -1.430 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.217 -1.626 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.291 -3.008 -6.851 1.00 0.00 H new ATOM 1450 N TYR A 96 2.602 -4.123 -3.095 1.00 0.00 N ATOM 1451 CA TYR A 96 3.805 -4.919 -2.886 1.00 0.00 C ATOM 1452 C TYR A 96 3.754 -5.642 -1.544 1.00 0.00 C ATOM 1453 O TYR A 96 3.834 -6.869 -1.483 1.00 0.00 O ATOM 1454 CB TYR A 96 5.048 -4.030 -2.952 1.00 0.00 C ATOM 1455 CG TYR A 96 6.335 -4.765 -2.651 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.666 -5.932 -3.328 1.00 0.00 C ATOM 1457 CD2 TYR A 96 7.220 -4.291 -1.690 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.841 -6.607 -3.055 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.397 -4.959 -1.412 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.702 -6.117 -2.097 1.00 0.00 C ATOM 1461 OH TYR A 96 9.874 -6.785 -1.823 1.00 0.00 O ATOM 0 H TYR A 96 2.755 -3.254 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 96 3.858 -5.666 -3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.116 -3.588 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.935 -3.208 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.994 -6.318 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.984 -3.385 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.083 -7.514 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.074 -4.577 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 96 10.067 -7.418 -2.546 1.00 0.00 H new ATOM 1471 N ASP A 97 3.619 -4.872 -0.470 1.00 0.00 N ATOM 1472 CA ASP A 97 3.555 -5.437 0.873 1.00 0.00 C ATOM 1473 C ASP A 97 2.558 -6.591 0.930 1.00 0.00 C ATOM 1474 O ASP A 97 2.924 -7.727 1.234 1.00 0.00 O ATOM 1475 CB ASP A 97 3.163 -4.359 1.885 1.00 0.00 C ATOM 1476 CG ASP A 97 3.468 -4.768 3.313 1.00 0.00 C ATOM 1477 OD1 ASP A 97 4.605 -4.524 3.770 1.00 0.00 O ATOM 1478 OD2 ASP A 97 2.570 -5.330 3.973 1.00 0.00 O ATOM 0 H ASP A 97 3.552 -3.855 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 97 4.543 -5.821 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.695 -3.436 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.098 -4.146 1.791 1.00 0.00 H new ATOM 1483 N PHE A 98 1.297 -6.292 0.636 1.00 0.00 N ATOM 1484 CA PHE A 98 0.247 -7.304 0.655 1.00 0.00 C ATOM 1485 C PHE A 98 0.734 -8.605 0.022 1.00 0.00 C ATOM 1486 O PHE A 98 0.703 -9.664 0.650 1.00 0.00 O ATOM 1487 CB PHE A 98 -0.993 -6.797 -0.083 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.109 -7.800 -0.139 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.020 -7.903 0.900 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.248 -8.641 -1.232 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.048 -8.825 0.851 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.275 -9.565 -1.286 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.175 -9.658 -0.243 1.00 0.00 C ATOM 0 H PHE A 98 0.977 -5.357 0.382 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.014 -7.502 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.353 -5.892 0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.713 -6.520 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.925 -7.255 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.546 -8.574 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.751 -8.894 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.373 -10.214 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.977 -10.381 -0.283 1.00 0.00 H new ATOM 1503 N LEU A 99 1.181 -8.517 -1.226 1.00 0.00 N ATOM 1504 CA LEU A 99 1.674 -9.686 -1.946 1.00 0.00 C ATOM 1505 C LEU A 99 2.753 -10.406 -1.143 1.00 0.00 C ATOM 1506 O LEU A 99 2.824 -11.635 -1.143 1.00 0.00 O ATOM 1507 CB LEU A 99 2.228 -9.273 -3.310 1.00 0.00 C ATOM 1508 CG LEU A 99 1.256 -8.539 -4.235 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.946 -8.150 -5.534 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.034 -9.402 -4.517 1.00 0.00 C ATOM 0 H LEU A 99 1.212 -7.649 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 99 0.839 -10.371 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.097 -8.635 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.581 -10.168 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 99 0.926 -7.628 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.239 -7.629 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.789 -7.495 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.305 -9.047 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.647 -8.864 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.347 -10.330 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.474 -9.631 -3.580 1.00 0.00 H new ATOM 1522 N ILE A 100 3.588 -9.632 -0.457 1.00 0.00 N ATOM 1523 CA ILE A 100 4.660 -10.196 0.353 1.00 0.00 C ATOM 1524 C ILE A 100 4.102 -10.954 1.553 1.00 0.00 C ATOM 1525 O ILE A 100 4.568 -12.045 1.882 1.00 0.00 O ATOM 1526 CB ILE A 100 5.623 -9.103 0.852 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.331 -8.437 -0.329 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.637 -9.693 1.821 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.470 -9.259 -0.892 1.00 0.00 C ATOM 0 H ILE A 100 3.542 -8.613 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 100 5.209 -10.887 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 100 5.045 -8.344 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.604 -8.249 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.715 -7.467 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.311 -8.908 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.116 -10.124 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.212 -10.470 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.926 -8.726 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.217 -9.425 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.089 -10.219 -1.240 1.00 0.00 H new ATOM 1541 N ARG A 101 3.101 -10.368 2.202 1.00 0.00 N ATOM 1542 CA ARG A 101 2.479 -10.989 3.365 1.00 0.00 C ATOM 1543 C ARG A 101 1.788 -12.294 2.982 1.00 0.00 C ATOM 1544 O ARG A 101 2.052 -13.342 3.569 1.00 0.00 O ATOM 1545 CB ARG A 101 1.468 -10.032 4.000 1.00 0.00 C ATOM 1546 CG ARG A 101 2.097 -8.771 4.570 1.00 0.00 C ATOM 1547 CD ARG A 101 1.307 -8.240 5.756 1.00 0.00 C ATOM 1548 NE ARG A 101 1.838 -6.970 6.243 1.00 0.00 N ATOM 1549 CZ ARG A 101 2.862 -6.877 7.084 1.00 0.00 C ATOM 1550 NH1 ARG A 101 3.462 -7.972 7.528 1.00 0.00 N ATOM 1551 NH2 ARG A 101 3.288 -5.685 7.483 1.00 0.00 N ATOM 0 H ARG A 101 2.704 -9.465 1.942 1.00 0.00 H new ATOM 0 HA ARG A 101 3.263 -11.213 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.727 -9.752 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.936 -10.554 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.121 -8.982 4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.149 -8.007 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.264 -8.110 5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.326 -8.974 6.562 1.00 0.00 H new ATOM 0 HE ARG A 101 1.399 -6.108 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.138 -8.890 7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.248 -7.897 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.829 -4.840 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.074 -5.614 8.129 1.00 0.00 H new ATOM 1565 N GLU A 102 0.903 -12.221 1.993 1.00 0.00 N ATOM 1566 CA GLU A 102 0.174 -13.397 1.532 1.00 0.00 C ATOM 1567 C GLU A 102 1.137 -14.506 1.119 1.00 0.00 C ATOM 1568 O GLU A 102 0.803 -15.689 1.183 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.735 -13.032 0.357 1.00 0.00 C ATOM 1570 CG GLU A 102 -2.056 -12.411 0.779 1.00 0.00 C ATOM 1571 CD GLU A 102 -1.879 -11.299 1.794 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -1.612 -10.152 1.378 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -2.009 -11.575 3.005 1.00 0.00 O ATOM 0 H GLU A 102 0.674 -11.360 1.496 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.439 -13.760 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.208 -12.336 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.936 -13.929 -0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.566 -12.018 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.698 -13.184 1.201 1.00 0.00 H new ATOM 1580 N GLY A 103 2.335 -14.115 0.695 1.00 0.00 N ATOM 1581 CA GLY A 103 3.328 -15.088 0.277 1.00 0.00 C ATOM 1582 C GLY A 103 3.409 -15.222 -1.231 1.00 0.00 C ATOM 1583 O GLY A 103 3.896 -16.229 -1.746 1.00 0.00 O ATOM 0 H GLY A 103 2.636 -13.142 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.304 -14.797 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.088 -16.058 0.713 1.00 0.00 H new ATOM 1587 N TYR A 104 2.929 -14.207 -1.940 1.00 0.00 N ATOM 1588 CA TYR A 104 2.946 -14.218 -3.398 1.00 0.00 C ATOM 1589 C TYR A 104 4.345 -13.923 -3.929 1.00 0.00 C ATOM 1590 O TYR A 104 4.725 -14.390 -5.003 1.00 0.00 O ATOM 1591 CB TYR A 104 1.953 -13.193 -3.948 1.00 0.00 C ATOM 1592 CG TYR A 104 0.521 -13.678 -3.951 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.091 -14.629 -4.867 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.402 -13.184 -3.037 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.217 -15.075 -4.874 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.711 -13.625 -3.035 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.114 -14.570 -3.956 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.418 -15.011 -3.958 1.00 0.00 O ATOM 0 H TYR A 104 2.523 -13.366 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 104 2.653 -15.213 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.018 -12.282 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.241 -12.931 -4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.791 -15.027 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.091 -12.443 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.535 -15.815 -5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.415 -13.232 -2.316 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.918 -14.557 -3.248 1.00 0.00 H new ATOM 1608 N ILE A 105 5.108 -13.145 -3.168 1.00 0.00 N ATOM 1609 CA ILE A 105 6.466 -12.788 -3.561 1.00 0.00 C ATOM 1610 C ILE A 105 7.391 -12.735 -2.350 1.00 0.00 C ATOM 1611 O ILE A 105 6.958 -12.929 -1.213 1.00 0.00 O ATOM 1612 CB ILE A 105 6.504 -11.428 -4.282 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.643 -10.406 -3.537 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.033 -11.578 -5.721 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.661 -9.029 -4.163 1.00 0.00 C ATOM 0 H ILE A 105 4.809 -12.750 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 105 6.811 -13.562 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 105 7.533 -11.068 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.615 -10.766 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.991 -10.332 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.066 -10.608 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.684 -12.276 -6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.011 -11.957 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.029 -8.357 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.682 -8.648 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.285 -9.089 -5.184 1.00 0.00 H new ATOM 1627 N THR A 106 8.670 -12.470 -2.601 1.00 0.00 N ATOM 1628 CA THR A 106 9.658 -12.391 -1.532 1.00 0.00 C ATOM 1629 C THR A 106 10.272 -10.998 -1.453 1.00 0.00 C ATOM 1630 O THR A 106 10.305 -10.266 -2.442 1.00 0.00 O ATOM 1631 CB THR A 106 10.782 -13.425 -1.729 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.268 -14.589 -2.386 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.395 -13.819 -0.393 1.00 0.00 C ATOM 0 H THR A 106 9.045 -12.307 -3.535 1.00 0.00 H new ATOM 0 HA THR A 106 9.135 -12.607 -0.601 1.00 0.00 H new ATOM 0 HB THR A 106 11.557 -12.973 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.990 -15.241 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.186 -14.550 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.812 -12.936 0.091 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.626 -14.254 0.246 1.00 0.00 H new ATOM 1641 N LYS A 107 10.758 -10.637 -0.270 1.00 0.00 N ATOM 1642 CA LYS A 107 11.374 -9.332 -0.062 1.00 0.00 C ATOM 1643 C LYS A 107 12.834 -9.342 -0.505 1.00 0.00 C ATOM 1644 O LYS A 107 13.621 -10.177 -0.061 1.00 0.00 O ATOM 1645 CB LYS A 107 11.280 -8.931 1.412 1.00 0.00 C ATOM 1646 CG LYS A 107 11.202 -7.430 1.630 1.00 0.00 C ATOM 1647 CD LYS A 107 9.766 -6.935 1.594 1.00 0.00 C ATOM 1648 CE LYS A 107 9.665 -5.484 2.038 1.00 0.00 C ATOM 1649 NZ LYS A 107 9.987 -5.323 3.483 1.00 0.00 N ATOM 0 H LYS A 107 10.737 -11.230 0.559 1.00 0.00 H new ATOM 0 HA LYS A 107 10.835 -8.603 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.400 -9.400 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.148 -9.322 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.651 -7.177 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.783 -6.919 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.371 -7.036 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.149 -7.558 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.346 -4.874 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.657 -5.115 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.637 -4.402 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.531 -6.083 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.017 -5.371 3.617 1.00 0.00 H new ATOM 1663 N ALA A 108 13.187 -8.408 -1.381 1.00 0.00 N ATOM 1664 CA ALA A 108 14.553 -8.307 -1.881 1.00 0.00 C ATOM 1665 C ALA A 108 15.374 -7.332 -1.044 1.00 0.00 C ATOM 1666 O ALA A 108 16.396 -7.702 -0.467 1.00 0.00 O ATOM 1667 CB ALA A 108 14.550 -7.880 -3.342 1.00 0.00 C ATOM 0 H ALA A 108 12.546 -7.710 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 108 15.016 -9.291 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.576 -7.809 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.008 -8.616 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.064 -6.909 -3.436 1.00 0.00 H new