USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -1.68 K(o=-1.6,f=-7.5!) USER MOD Set 1.2: A 82 THR OG1 : rot 61:sc= 0.0488 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.0565 K(o=-3,f=-7.2!) USER MOD Set 2.2: A 89 GLN : amide:sc= -3.1! C(o=-3!,f=-3.6!) USER MOD Set 3.1: A 22 THR OG1 : rot 59:sc= 0.542 USER MOD Set 3.2: A 69 ASN : amide:sc= 0.0874 X(o=0.63,f=0.14) USER MOD Single : A 23 ASN : amide:sc= -1.76! K(o=-1.8!,f=-2.5) USER MOD Single : A 27 ASN : amide:sc= 0.182 K(o=0.18,f=-2.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00928 F(o=-1.2,f=-0.0093) USER MOD Single : A 33 MET CE :methyl 168:sc= -1.67 (180deg=-2.53) USER MOD Single : A 34 THR OG1 : rot -164:sc= -0.981 USER MOD Single : A 35 GLN :FLIP amide:sc= -4.94! C(o=-5.9!,f=-4.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -63:sc= 1.25 USER MOD Single : A 50 SER OG : rot -100:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0521 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0358 USER MOD Single : A 70 TYR OH : rot -23:sc= -0.487 USER MOD Single : A 72 THR OG1 : rot 13:sc= 1.52 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.44! C(o=-2.4!,f=-7!) USER MOD Single : A 90 SER OG : rot -42:sc= 0.0307 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 4:sc= 0.56 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 7.730 -2.546 6.205 1.00 0.00 N ATOM 302 CA THR A 22 6.884 -3.624 5.746 1.00 0.00 C ATOM 303 C THR A 22 5.463 -3.114 5.558 1.00 0.00 C ATOM 304 O THR A 22 4.625 -3.766 4.939 1.00 0.00 O ATOM 305 CB THR A 22 6.903 -4.779 6.764 1.00 0.00 C ATOM 306 OG1 THR A 22 6.490 -4.303 8.054 1.00 0.00 O ATOM 307 CG2 THR A 22 8.301 -5.367 6.876 1.00 0.00 C ATOM 0 HA THR A 22 7.259 -3.993 4.792 1.00 0.00 H new ATOM 0 HB THR A 22 6.215 -5.551 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.590 -3.921 7.989 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.296 -6.182 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.615 -5.747 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.996 -4.594 7.205 1.00 0.00 H new ATOM 315 N ASN A 23 5.215 -1.932 6.104 1.00 0.00 N ATOM 316 CA ASN A 23 3.907 -1.297 6.034 1.00 0.00 C ATOM 317 C ASN A 23 3.724 -0.615 4.689 1.00 0.00 C ATOM 318 O ASN A 23 4.540 0.215 4.288 1.00 0.00 O ATOM 319 CB ASN A 23 3.779 -0.251 7.137 1.00 0.00 C ATOM 320 CG ASN A 23 2.365 0.273 7.290 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.394 -0.422 6.995 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.242 1.499 7.770 1.00 0.00 N ATOM 0 H ASN A 23 5.914 -1.387 6.608 1.00 0.00 H new ATOM 0 HA ASN A 23 3.144 -2.065 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.105 -0.685 8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.449 0.582 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.315 1.902 7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.074 2.042 8.002 1.00 0.00 H new ATOM 329 N LEU A 24 2.657 -0.954 3.999 1.00 0.00 N ATOM 330 CA LEU A 24 2.388 -0.379 2.699 1.00 0.00 C ATOM 331 C LEU A 24 1.111 0.441 2.716 1.00 0.00 C ATOM 332 O LEU A 24 0.023 -0.076 2.972 1.00 0.00 O ATOM 333 CB LEU A 24 2.294 -1.487 1.650 1.00 0.00 C ATOM 334 CG LEU A 24 3.356 -1.448 0.552 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.747 -1.292 1.135 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.288 -2.713 -0.267 1.00 0.00 C ATOM 0 H LEU A 24 1.960 -1.627 4.318 1.00 0.00 H new ATOM 0 HA LEU A 24 3.211 0.289 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.357 -2.450 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.311 -1.437 1.182 1.00 0.00 H new ATOM 0 HG LEU A 24 3.155 -0.585 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.479 -1.268 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.802 -0.363 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.962 -2.133 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.047 -2.681 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.467 -3.574 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.301 -2.799 -0.722 1.00 0.00 H new ATOM 348 N ILE A 25 1.260 1.727 2.457 1.00 0.00 N ATOM 349 CA ILE A 25 0.128 2.605 2.297 1.00 0.00 C ATOM 350 C ILE A 25 -0.386 2.472 0.871 1.00 0.00 C ATOM 351 O ILE A 25 0.331 2.735 -0.097 1.00 0.00 O ATOM 352 CB ILE A 25 0.474 4.080 2.616 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.806 4.908 2.625 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.509 4.646 1.650 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.585 6.395 2.760 1.00 0.00 C ATOM 0 H ILE A 25 2.165 2.185 2.353 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.643 2.311 3.009 1.00 0.00 H new ATOM 0 HB ILE A 25 0.930 4.125 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.355 4.717 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.437 4.570 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.722 5.683 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.426 4.060 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.120 4.600 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.547 6.908 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.066 6.602 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.018 6.751 1.924 1.00 0.00 H new ATOM 367 N VAL A 26 -1.601 2.002 0.735 1.00 0.00 N ATOM 368 CA VAL A 26 -2.164 1.787 -0.575 1.00 0.00 C ATOM 369 C VAL A 26 -3.273 2.782 -0.831 1.00 0.00 C ATOM 370 O VAL A 26 -4.344 2.696 -0.241 1.00 0.00 O ATOM 371 CB VAL A 26 -2.699 0.363 -0.730 1.00 0.00 C ATOM 372 CG1 VAL A 26 -3.031 0.078 -2.186 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.679 -0.621 -0.203 1.00 0.00 C ATOM 0 H VAL A 26 -2.217 1.762 1.512 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.369 1.929 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.617 0.257 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.411 -0.939 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.789 0.781 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.132 0.187 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.061 -1.636 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.751 -0.519 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.489 -0.418 0.851 1.00 0.00 H new ATOM 383 N ASN A 27 -2.997 3.732 -1.694 1.00 0.00 N ATOM 384 CA ASN A 27 -3.952 4.774 -2.009 1.00 0.00 C ATOM 385 C ASN A 27 -4.717 4.395 -3.255 1.00 0.00 C ATOM 386 O ASN A 27 -4.458 3.350 -3.851 1.00 0.00 O ATOM 387 CB ASN A 27 -3.253 6.110 -2.249 1.00 0.00 C ATOM 388 CG ASN A 27 -3.942 7.261 -1.551 1.00 0.00 C ATOM 389 OD1 ASN A 27 -5.002 7.720 -1.972 1.00 0.00 O ATOM 390 ND2 ASN A 27 -3.310 7.766 -0.507 1.00 0.00 N ATOM 0 H ASN A 27 -2.112 3.806 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.629 4.880 -1.161 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.222 6.044 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.216 6.309 -3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.700 8.570 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.432 7.352 -0.193 1.00 0.00 H new ATOM 397 N TYR A 28 -5.641 5.260 -3.640 1.00 0.00 N ATOM 398 CA TYR A 28 -6.420 5.085 -4.854 1.00 0.00 C ATOM 399 C TYR A 28 -7.220 3.787 -4.816 1.00 0.00 C ATOM 400 O TYR A 28 -7.503 3.186 -5.854 1.00 0.00 O ATOM 401 CB TYR A 28 -5.504 5.124 -6.074 1.00 0.00 C ATOM 402 CG TYR A 28 -4.703 6.400 -6.188 1.00 0.00 C ATOM 403 CD1 TYR A 28 -5.275 7.570 -6.667 1.00 0.00 C ATOM 404 CD2 TYR A 28 -3.371 6.429 -5.813 1.00 0.00 C ATOM 405 CE1 TYR A 28 -4.535 8.733 -6.765 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.621 7.582 -5.905 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.210 8.734 -6.383 1.00 0.00 C ATOM 408 OH TYR A 28 -2.476 9.892 -6.479 1.00 0.00 O ATOM 0 H TYR A 28 -5.872 6.105 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.133 5.906 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.819 4.277 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.106 5.001 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.312 7.572 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.908 5.527 -5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.992 9.637 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.583 7.583 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.561 9.726 -6.170 1.00 0.00 H new ATOM 418 N LEU A 29 -7.581 3.362 -3.614 1.00 0.00 N ATOM 419 CA LEU A 29 -8.423 2.190 -3.442 1.00 0.00 C ATOM 420 C LEU A 29 -9.849 2.532 -3.828 1.00 0.00 C ATOM 421 O LEU A 29 -10.317 3.645 -3.564 1.00 0.00 O ATOM 422 CB LEU A 29 -8.400 1.704 -1.990 1.00 0.00 C ATOM 423 CG LEU A 29 -7.048 1.222 -1.476 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.210 0.520 -0.138 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.391 0.302 -2.485 1.00 0.00 C ATOM 0 H LEU A 29 -7.303 3.813 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.038 1.396 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.743 2.516 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.118 0.891 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.403 2.089 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.236 0.182 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.639 1.212 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.872 -0.338 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.427 -0.031 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.031 -0.563 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.241 0.838 -3.422 1.00 0.00 H new ATOM 437 N PRO A 30 -10.555 1.597 -4.480 1.00 0.00 N ATOM 438 CA PRO A 30 -11.950 1.803 -4.841 1.00 0.00 C ATOM 439 C PRO A 30 -12.785 2.177 -3.614 1.00 0.00 C ATOM 440 O PRO A 30 -12.636 1.574 -2.546 1.00 0.00 O ATOM 441 CB PRO A 30 -12.400 0.449 -5.388 1.00 0.00 C ATOM 442 CG PRO A 30 -11.150 -0.256 -5.788 1.00 0.00 C ATOM 443 CD PRO A 30 -10.041 0.287 -4.929 1.00 0.00 C ATOM 0 HA PRO A 30 -12.073 2.615 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.945 -0.117 -4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.070 0.573 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.253 -1.332 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.936 -0.091 -6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.829 -0.370 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.114 0.392 -5.492 1.00 0.00 H new ATOM 451 N GLN A 31 -13.668 3.154 -3.775 1.00 0.00 N ATOM 452 CA GLN A 31 -14.437 3.707 -2.661 1.00 0.00 C ATOM 453 C GLN A 31 -15.390 2.678 -2.049 1.00 0.00 C ATOM 454 O GLN A 31 -15.928 2.887 -0.961 1.00 0.00 O ATOM 455 CB GLN A 31 -15.227 4.930 -3.131 1.00 0.00 C ATOM 456 CG GLN A 31 -14.352 6.055 -3.655 1.00 0.00 C ATOM 457 CD GLN A 31 -13.553 6.732 -2.564 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.351 6.238 -2.320 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -14.011 7.698 -1.952 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.873 3.586 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.727 3.998 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.920 4.625 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.828 5.304 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.669 5.658 -4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.979 6.795 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.944 8.046 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.457 8.150 -1.224 1.00 0.00 H new ATOM 468 N ASN A 32 -15.589 1.571 -2.744 1.00 0.00 N ATOM 469 CA ASN A 32 -16.513 0.540 -2.292 1.00 0.00 C ATOM 470 C ASN A 32 -15.781 -0.727 -1.852 1.00 0.00 C ATOM 471 O ASN A 32 -16.410 -1.690 -1.417 1.00 0.00 O ATOM 472 CB ASN A 32 -17.507 0.200 -3.412 1.00 0.00 C ATOM 473 CG ASN A 32 -16.827 -0.250 -4.698 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.747 -0.834 -4.676 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.449 0.029 -5.832 1.00 0.00 N ATOM 0 H ASN A 32 -15.122 1.361 -3.626 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.049 0.934 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.177 -0.587 -3.068 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.123 1.075 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.032 -0.242 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.345 0.515 -5.816 1.00 0.00 H new ATOM 482 N MET A 33 -14.457 -0.729 -1.956 1.00 0.00 N ATOM 483 CA MET A 33 -13.688 -1.942 -1.722 1.00 0.00 C ATOM 484 C MET A 33 -13.594 -2.268 -0.237 1.00 0.00 C ATOM 485 O MET A 33 -14.014 -1.480 0.611 1.00 0.00 O ATOM 486 CB MET A 33 -12.295 -1.802 -2.314 1.00 0.00 C ATOM 487 CG MET A 33 -11.844 -3.040 -3.059 1.00 0.00 C ATOM 488 SD MET A 33 -10.244 -2.838 -3.837 1.00 0.00 S ATOM 489 CE MET A 33 -9.230 -2.326 -2.458 1.00 0.00 C ATOM 0 H MET A 33 -13.899 0.089 -2.199 1.00 0.00 H new ATOM 0 HA MET A 33 -14.208 -2.765 -2.213 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.278 -0.949 -2.993 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.586 -1.587 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.802 -3.880 -2.366 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.584 -3.290 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.179 -2.370 -2.743 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.487 -1.305 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.405 -2.990 -1.612 1.00 0.00 H new ATOM 499 N THR A 34 -13.046 -3.437 0.068 1.00 0.00 N ATOM 500 CA THR A 34 -12.970 -3.911 1.439 1.00 0.00 C ATOM 501 C THR A 34 -11.527 -4.167 1.854 1.00 0.00 C ATOM 502 O THR A 34 -10.637 -4.211 0.998 1.00 0.00 O ATOM 503 CB THR A 34 -13.767 -5.221 1.612 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.042 -6.315 1.036 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.117 -5.122 0.930 1.00 0.00 C ATOM 0 H THR A 34 -12.647 -4.075 -0.620 1.00 0.00 H new ATOM 0 HA THR A 34 -13.397 -3.132 2.070 1.00 0.00 H new ATOM 0 HB THR A 34 -13.913 -5.388 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.643 -7.080 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.662 -6.056 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.687 -4.303 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.974 -4.935 -0.134 1.00 0.00 H new ATOM 513 N GLN A 35 -11.293 -4.319 3.157 1.00 0.00 N ATOM 514 CA GLN A 35 -9.992 -4.765 3.644 1.00 0.00 C ATOM 515 C GLN A 35 -9.614 -6.053 2.961 1.00 0.00 C ATOM 516 O GLN A 35 -8.520 -6.186 2.457 1.00 0.00 O ATOM 517 CB GLN A 35 -9.978 -5.033 5.149 1.00 0.00 C ATOM 518 CG GLN A 35 -10.253 -3.828 6.028 1.00 0.00 C ATOM 519 CD GLN A 35 -11.710 -3.402 6.041 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.617 -4.352 5.874 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.019 -2.224 6.205 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.982 -4.141 3.888 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.291 -3.960 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.720 -5.800 5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.005 -5.443 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.941 -4.054 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.642 -2.993 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.293 -1.519 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.002 -1.951 6.216 1.00 0.00 H new ATOM 530 N ASP A 36 -10.550 -6.985 2.944 1.00 0.00 N ATOM 531 CA ASP A 36 -10.317 -8.326 2.423 1.00 0.00 C ATOM 532 C ASP A 36 -9.879 -8.286 0.963 1.00 0.00 C ATOM 533 O ASP A 36 -9.050 -9.083 0.538 1.00 0.00 O ATOM 534 CB ASP A 36 -11.589 -9.158 2.579 1.00 0.00 C ATOM 535 CG ASP A 36 -11.398 -10.604 2.167 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.996 -11.020 1.152 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.658 -11.332 2.861 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.497 -6.836 3.292 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.510 -8.786 2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.917 -9.121 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.383 -8.715 1.978 1.00 0.00 H new ATOM 542 N GLU A 37 -10.419 -7.344 0.203 1.00 0.00 N ATOM 543 CA GLU A 37 -10.026 -7.167 -1.189 1.00 0.00 C ATOM 544 C GLU A 37 -8.629 -6.570 -1.267 1.00 0.00 C ATOM 545 O GLU A 37 -7.761 -7.070 -1.985 1.00 0.00 O ATOM 546 CB GLU A 37 -11.027 -6.262 -1.902 1.00 0.00 C ATOM 547 CG GLU A 37 -12.423 -6.852 -1.981 1.00 0.00 C ATOM 548 CD GLU A 37 -12.458 -8.133 -2.788 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.188 -8.091 -4.003 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.753 -9.197 -2.206 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.131 -6.690 0.527 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.018 -8.140 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.074 -5.305 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.668 -6.060 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.790 -7.049 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.099 -6.124 -2.429 1.00 0.00 H new ATOM 557 N LEU A 38 -8.423 -5.507 -0.499 1.00 0.00 N ATOM 558 CA LEU A 38 -7.131 -4.853 -0.386 1.00 0.00 C ATOM 559 C LEU A 38 -6.086 -5.859 0.121 1.00 0.00 C ATOM 560 O LEU A 38 -4.947 -5.891 -0.332 1.00 0.00 O ATOM 561 CB LEU A 38 -7.298 -3.644 0.567 1.00 0.00 C ATOM 562 CG LEU A 38 -6.056 -2.798 0.862 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.286 -3.367 2.034 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.177 -2.698 -0.370 1.00 0.00 C ATOM 0 H LEU A 38 -9.154 -5.074 0.065 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.778 -4.492 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.060 -2.987 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.685 -4.015 1.516 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.379 -1.792 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.408 -2.751 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.923 -3.376 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.971 -4.385 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.299 -2.093 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.861 -3.696 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.738 -2.233 -1.180 1.00 0.00 H new ATOM 576 N ARG A 39 -6.522 -6.705 1.029 1.00 0.00 N ATOM 577 CA ARG A 39 -5.676 -7.702 1.661 1.00 0.00 C ATOM 578 C ARG A 39 -5.397 -8.859 0.695 1.00 0.00 C ATOM 579 O ARG A 39 -4.282 -9.373 0.644 1.00 0.00 O ATOM 580 CB ARG A 39 -6.392 -8.188 2.937 1.00 0.00 C ATOM 581 CG ARG A 39 -5.529 -8.919 3.955 1.00 0.00 C ATOM 582 CD ARG A 39 -5.173 -10.318 3.501 1.00 0.00 C ATOM 583 NE ARG A 39 -4.461 -11.069 4.535 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.066 -12.333 4.402 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.353 -13.011 3.295 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.393 -12.924 5.383 1.00 0.00 N ATOM 0 H ARG A 39 -7.488 -6.722 1.356 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.710 -7.273 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.843 -7.325 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.207 -8.849 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.615 -8.351 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.058 -8.971 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.083 -10.852 3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.555 -10.261 2.605 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.254 -10.594 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.878 -12.563 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.049 -13.980 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.179 -12.409 6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.090 -13.893 5.282 1.00 0.00 H new ATOM 600 N SER A 40 -6.404 -9.252 -0.080 1.00 0.00 N ATOM 601 CA SER A 40 -6.280 -10.394 -0.985 1.00 0.00 C ATOM 602 C SER A 40 -5.369 -10.069 -2.169 1.00 0.00 C ATOM 603 O SER A 40 -4.531 -10.880 -2.559 1.00 0.00 O ATOM 604 CB SER A 40 -7.663 -10.826 -1.484 1.00 0.00 C ATOM 605 OG SER A 40 -7.601 -12.060 -2.176 1.00 0.00 O ATOM 0 H SER A 40 -7.317 -8.797 -0.100 1.00 0.00 H new ATOM 0 HA SER A 40 -5.828 -11.216 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.345 -10.915 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.070 -10.058 -2.142 1.00 0.00 H new ATOM 0 HG SER A 40 -8.498 -12.310 -2.481 1.00 0.00 H new ATOM 611 N LEU A 41 -5.530 -8.875 -2.726 1.00 0.00 N ATOM 612 CA LEU A 41 -4.709 -8.416 -3.839 1.00 0.00 C ATOM 613 C LEU A 41 -3.251 -8.325 -3.422 1.00 0.00 C ATOM 614 O LEU A 41 -2.351 -8.579 -4.212 1.00 0.00 O ATOM 615 CB LEU A 41 -5.253 -7.066 -4.311 1.00 0.00 C ATOM 616 CG LEU A 41 -4.748 -6.543 -5.657 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.692 -5.471 -5.456 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.204 -7.670 -6.528 1.00 0.00 C ATOM 0 H LEU A 41 -6.231 -8.200 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.755 -9.126 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.339 -7.138 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.019 -6.322 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.599 -6.101 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.347 -5.114 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.119 -4.640 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.850 -5.888 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.854 -7.261 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.375 -8.158 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.993 -8.398 -6.716 1.00 0.00 H new ATOM 630 N PHE A 42 -3.017 -7.981 -2.181 1.00 0.00 N ATOM 631 CA PHE A 42 -1.666 -7.954 -1.662 1.00 0.00 C ATOM 632 C PHE A 42 -1.213 -9.347 -1.251 1.00 0.00 C ATOM 633 O PHE A 42 -0.027 -9.664 -1.276 1.00 0.00 O ATOM 634 CB PHE A 42 -1.568 -6.933 -0.538 1.00 0.00 C ATOM 635 CG PHE A 42 -1.510 -5.543 -1.090 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.603 -4.997 -1.747 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.346 -4.797 -1.001 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.535 -3.743 -2.299 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.282 -3.536 -1.547 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.375 -3.017 -2.196 1.00 0.00 C ATOM 0 H PHE A 42 -3.739 -7.716 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.978 -7.637 -2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.428 -7.031 0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.679 -7.129 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.518 -5.566 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.517 -5.208 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.390 -3.329 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.625 -2.956 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.321 -2.029 -2.629 1.00 0.00 H new ATOM 650 N SER A 43 -2.166 -10.202 -0.923 1.00 0.00 N ATOM 651 CA SER A 43 -1.870 -11.599 -0.661 1.00 0.00 C ATOM 652 C SER A 43 -1.452 -12.285 -1.965 1.00 0.00 C ATOM 653 O SER A 43 -0.881 -13.375 -1.960 1.00 0.00 O ATOM 654 CB SER A 43 -3.091 -12.294 -0.050 1.00 0.00 C ATOM 655 OG SER A 43 -2.778 -13.598 0.408 1.00 0.00 O ATOM 0 H SER A 43 -3.151 -9.953 -0.832 1.00 0.00 H new ATOM 0 HA SER A 43 -1.049 -11.667 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.471 -11.698 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.887 -12.351 -0.793 1.00 0.00 H new ATOM 0 HG SER A 43 -3.579 -14.011 0.793 1.00 0.00 H new ATOM 661 N SER A 44 -1.736 -11.625 -3.089 1.00 0.00 N ATOM 662 CA SER A 44 -1.346 -12.134 -4.390 1.00 0.00 C ATOM 663 C SER A 44 0.165 -12.017 -4.549 1.00 0.00 C ATOM 664 O SER A 44 0.802 -12.848 -5.196 1.00 0.00 O ATOM 665 CB SER A 44 -2.066 -11.372 -5.515 1.00 0.00 C ATOM 666 OG SER A 44 -1.352 -10.204 -5.896 1.00 0.00 O ATOM 0 H SER A 44 -2.236 -10.736 -3.117 1.00 0.00 H new ATOM 0 HA SER A 44 -1.635 -13.183 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.184 -12.025 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.067 -11.096 -5.185 1.00 0.00 H new ATOM 0 HG SER A 44 -1.303 -9.588 -5.135 1.00 0.00 H new ATOM 672 N ILE A 45 0.722 -10.969 -3.947 1.00 0.00 N ATOM 673 CA ILE A 45 2.165 -10.758 -3.917 1.00 0.00 C ATOM 674 C ILE A 45 2.866 -11.837 -3.103 1.00 0.00 C ATOM 675 O ILE A 45 3.870 -12.407 -3.536 1.00 0.00 O ATOM 676 CB ILE A 45 2.500 -9.366 -3.333 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.240 -8.295 -4.383 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.948 -9.290 -2.846 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.312 -8.235 -5.432 1.00 0.00 C ATOM 0 H ILE A 45 0.187 -10.245 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 45 2.525 -10.812 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 45 1.856 -9.197 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.280 -8.488 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.163 -7.324 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.145 -8.297 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.110 -10.036 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.623 -9.483 -3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.072 -7.453 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.270 -8.013 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.373 -9.195 -5.945 1.00 0.00 H new ATOM 691 N GLY A 46 2.318 -12.130 -1.939 1.00 0.00 N ATOM 692 CA GLY A 46 2.968 -13.052 -1.038 1.00 0.00 C ATOM 693 C GLY A 46 2.166 -13.271 0.218 1.00 0.00 C ATOM 694 O GLY A 46 1.082 -13.856 0.173 1.00 0.00 O ATOM 0 H GLY A 46 1.435 -11.747 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.120 -14.006 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.954 -12.669 -0.776 1.00 0.00 H new ATOM 698 N GLU A 47 2.680 -12.794 1.339 1.00 0.00 N ATOM 699 CA GLU A 47 1.996 -12.963 2.603 1.00 0.00 C ATOM 700 C GLU A 47 1.839 -11.655 3.332 1.00 0.00 C ATOM 701 O GLU A 47 2.806 -11.000 3.719 1.00 0.00 O ATOM 702 CB GLU A 47 2.696 -13.994 3.474 1.00 0.00 C ATOM 703 CG GLU A 47 2.349 -15.406 3.063 1.00 0.00 C ATOM 704 CD GLU A 47 3.231 -16.452 3.711 1.00 0.00 C ATOM 705 OE1 GLU A 47 2.744 -17.169 4.608 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.416 -16.564 3.324 1.00 0.00 O1- ATOM 0 H GLU A 47 3.565 -12.289 1.397 1.00 0.00 H new ATOM 0 HA GLU A 47 0.995 -13.334 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.775 -13.852 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.416 -13.840 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.309 -15.607 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.431 -15.492 1.980 1.00 0.00 H new ATOM 713 N VAL A 48 0.593 -11.302 3.520 1.00 0.00 N ATOM 714 CA VAL A 48 0.233 -10.064 4.173 1.00 0.00 C ATOM 715 C VAL A 48 0.067 -10.286 5.651 1.00 0.00 C ATOM 716 O VAL A 48 -0.739 -11.102 6.101 1.00 0.00 O ATOM 717 CB VAL A 48 -1.047 -9.463 3.570 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.481 -8.228 4.339 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.828 -9.140 2.105 1.00 0.00 C ATOM 0 H VAL A 48 -0.205 -11.865 3.225 1.00 0.00 H new ATOM 0 HA VAL A 48 1.041 -9.350 4.011 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.847 -10.199 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.389 -7.822 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.676 -8.496 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.691 -7.479 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.740 -8.715 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.015 -8.421 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.572 -10.052 1.566 1.00 0.00 H new ATOM 729 N GLU A 49 0.870 -9.551 6.386 1.00 0.00 N ATOM 730 CA GLU A 49 0.897 -9.625 7.810 1.00 0.00 C ATOM 731 C GLU A 49 -0.387 -9.044 8.392 1.00 0.00 C ATOM 732 O GLU A 49 -1.032 -9.660 9.239 1.00 0.00 O ATOM 733 CB GLU A 49 2.108 -8.883 8.304 1.00 0.00 C ATOM 734 CG GLU A 49 2.385 -9.110 9.764 1.00 0.00 C ATOM 735 CD GLU A 49 1.680 -8.119 10.662 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.625 -6.927 10.306 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.180 -8.529 11.729 1.00 0.00 O1- ATOM 0 H GLU A 49 1.529 -8.878 5.995 1.00 0.00 H new ATOM 0 HA GLU A 49 0.959 -10.664 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.977 -9.191 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.970 -7.816 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.076 -10.120 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.459 -9.049 9.938 1.00 0.00 H new ATOM 744 N SER A 50 -0.752 -7.853 7.925 1.00 0.00 N ATOM 745 CA SER A 50 -1.998 -7.220 8.337 1.00 0.00 C ATOM 746 C SER A 50 -2.411 -6.152 7.330 1.00 0.00 C ATOM 747 O SER A 50 -1.610 -5.299 6.967 1.00 0.00 O ATOM 748 CB SER A 50 -1.840 -6.606 9.734 1.00 0.00 C ATOM 749 OG SER A 50 -0.724 -5.728 9.792 1.00 0.00 O ATOM 0 H SER A 50 -0.202 -7.308 7.261 1.00 0.00 H new ATOM 0 HA SER A 50 -2.780 -7.978 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.747 -6.062 9.999 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.718 -7.400 10.470 1.00 0.00 H new ATOM 0 HG SER A 50 0.033 -6.188 10.212 1.00 0.00 H new ATOM 755 N ALA A 51 -3.654 -6.200 6.868 1.00 0.00 N ATOM 756 CA ALA A 51 -4.128 -5.219 5.900 1.00 0.00 C ATOM 757 C ALA A 51 -5.400 -4.543 6.373 1.00 0.00 C ATOM 758 O ALA A 51 -6.388 -5.204 6.694 1.00 0.00 O ATOM 759 CB ALA A 51 -4.344 -5.848 4.532 1.00 0.00 C ATOM 0 H ALA A 51 -4.345 -6.898 7.143 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.351 -4.460 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.697 -5.089 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.404 -6.264 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.086 -6.643 4.610 1.00 0.00 H new ATOM 765 N LYS A 52 -5.361 -3.222 6.419 1.00 0.00 N ATOM 766 CA LYS A 52 -6.514 -2.433 6.802 1.00 0.00 C ATOM 767 C LYS A 52 -7.016 -1.610 5.631 1.00 0.00 C ATOM 768 O LYS A 52 -6.262 -1.285 4.715 1.00 0.00 O ATOM 769 CB LYS A 52 -6.194 -1.494 7.970 1.00 0.00 C ATOM 770 CG LYS A 52 -4.943 -0.673 7.789 1.00 0.00 C ATOM 771 CD LYS A 52 -4.587 0.101 9.052 1.00 0.00 C ATOM 772 CE LYS A 52 -5.689 1.047 9.459 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.519 1.557 10.845 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.533 -2.671 6.193 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.287 -3.134 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.037 -0.820 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.096 -2.087 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.115 -1.328 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.082 0.024 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.391 -0.599 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.668 0.663 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.715 1.888 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.649 0.537 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.301 2.202 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.521 0.759 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.616 2.068 10.919 1.00 0.00 H new ATOM 787 N LEU A 53 -8.285 -1.277 5.682 1.00 0.00 N ATOM 788 CA LEU A 53 -8.908 -0.433 4.696 1.00 0.00 C ATOM 789 C LEU A 53 -9.509 0.759 5.403 1.00 0.00 C ATOM 790 O LEU A 53 -10.217 0.606 6.397 1.00 0.00 O ATOM 791 CB LEU A 53 -9.990 -1.209 3.961 1.00 0.00 C ATOM 792 CG LEU A 53 -10.871 -0.380 3.046 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.419 -0.526 1.613 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.319 -0.797 3.194 1.00 0.00 C ATOM 0 H LEU A 53 -8.918 -1.589 6.418 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.171 -0.098 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.515 -1.992 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.623 -1.705 4.697 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.784 0.669 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.060 0.074 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.388 -0.185 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.483 -1.573 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.941 -0.194 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.423 -1.850 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.637 -0.648 4.226 1.00 0.00 H new ATOM 806 N ILE A 54 -9.225 1.940 4.907 1.00 0.00 N ATOM 807 CA ILE A 54 -9.655 3.145 5.582 1.00 0.00 C ATOM 808 C ILE A 54 -10.987 3.606 5.028 1.00 0.00 C ATOM 809 O ILE A 54 -11.105 3.909 3.839 1.00 0.00 O ATOM 810 CB ILE A 54 -8.638 4.279 5.423 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.222 3.806 5.783 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.042 5.475 6.278 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.098 3.145 7.142 1.00 0.00 C ATOM 0 H ILE A 54 -8.702 2.094 4.045 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.748 2.905 6.641 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.630 4.586 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.884 3.104 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.548 4.662 5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.310 6.274 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.024 5.831 5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.081 5.177 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.063 2.845 7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.400 3.849 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.741 2.266 7.179 1.00 0.00 H new ATOM 934 N SER A 62 -15.140 3.467 1.746 1.00 0.00 N ATOM 935 CA SER A 62 -13.695 3.597 1.714 1.00 0.00 C ATOM 936 C SER A 62 -13.307 5.013 1.322 1.00 0.00 C ATOM 937 O SER A 62 -13.935 5.621 0.457 1.00 0.00 O ATOM 938 CB SER A 62 -13.086 2.589 0.732 1.00 0.00 C ATOM 939 OG SER A 62 -11.678 2.735 0.641 1.00 0.00 O ATOM 0 HA SER A 62 -13.305 3.387 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.327 1.576 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.531 2.726 -0.254 1.00 0.00 H new ATOM 0 HG SER A 62 -11.321 2.077 0.009 1.00 0.00 H new ATOM 945 N LEU A 63 -12.282 5.533 1.972 1.00 0.00 N ATOM 946 CA LEU A 63 -11.833 6.890 1.715 1.00 0.00 C ATOM 947 C LEU A 63 -10.753 6.901 0.649 1.00 0.00 C ATOM 948 O LEU A 63 -10.205 7.948 0.312 1.00 0.00 O ATOM 949 CB LEU A 63 -11.339 7.542 3.006 1.00 0.00 C ATOM 950 CG LEU A 63 -12.402 7.653 4.102 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.890 8.466 5.275 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.683 8.261 3.551 1.00 0.00 C ATOM 0 H LEU A 63 -11.744 5.036 2.682 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.677 7.472 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.496 6.967 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.966 8.540 2.776 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.623 6.647 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.664 8.529 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.006 7.985 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.631 9.469 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.424 8.330 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.475 9.257 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.069 7.631 2.749 1.00 0.00 H new ATOM 964 N GLY A 64 -10.457 5.725 0.114 1.00 0.00 N ATOM 965 CA GLY A 64 -9.574 5.637 -1.025 1.00 0.00 C ATOM 966 C GLY A 64 -8.165 5.225 -0.679 1.00 0.00 C ATOM 967 O GLY A 64 -7.261 5.397 -1.489 1.00 0.00 O ATOM 0 H GLY A 64 -10.814 4.831 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.986 4.922 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.546 6.605 -1.526 1.00 0.00 H new ATOM 971 N TYR A 65 -7.958 4.678 0.509 1.00 0.00 N ATOM 972 CA TYR A 65 -6.634 4.183 0.869 1.00 0.00 C ATOM 973 C TYR A 65 -6.701 3.179 2.014 1.00 0.00 C ATOM 974 O TYR A 65 -7.722 3.055 2.689 1.00 0.00 O ATOM 975 CB TYR A 65 -5.677 5.340 1.206 1.00 0.00 C ATOM 976 CG TYR A 65 -5.957 6.062 2.494 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.101 5.920 3.571 1.00 0.00 C ATOM 978 CD2 TYR A 65 -7.050 6.902 2.627 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.324 6.591 4.749 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.286 7.578 3.804 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.417 7.421 4.865 1.00 0.00 C ATOM 982 OH TYR A 65 -6.640 8.097 6.044 1.00 0.00 O ATOM 0 H TYR A 65 -8.672 4.566 1.229 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.237 3.662 -0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.661 4.947 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.709 6.063 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.242 5.270 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.728 7.029 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.645 6.468 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.145 8.226 3.896 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.451 8.640 5.961 1.00 0.00 H new ATOM 992 N GLY A 66 -5.609 2.450 2.198 1.00 0.00 N ATOM 993 CA GLY A 66 -5.527 1.439 3.231 1.00 0.00 C ATOM 994 C GLY A 66 -4.091 1.173 3.629 1.00 0.00 C ATOM 995 O GLY A 66 -3.170 1.713 3.013 1.00 0.00 O ATOM 0 H GLY A 66 -4.763 2.545 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.095 1.761 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.985 0.516 2.876 1.00 0.00 H new ATOM 999 N PHE A 67 -3.889 0.352 4.650 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.543 0.060 5.132 1.00 0.00 C ATOM 1001 C PHE A 67 -2.329 -1.446 5.233 1.00 0.00 C ATOM 1002 O PHE A 67 -2.908 -2.107 6.092 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.328 0.704 6.507 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.402 2.198 6.514 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -3.514 2.827 7.027 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -1.363 2.966 6.016 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -3.600 4.207 7.047 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -1.441 4.346 6.032 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.561 4.967 6.548 1.00 0.00 C ATOM 0 H PHE A 67 -4.635 -0.122 5.159 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.824 0.472 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.075 0.313 7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.353 0.400 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.329 2.236 7.418 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.485 2.483 5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.478 4.689 7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.627 4.938 5.641 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.624 6.045 6.561 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.515 -1.996 4.349 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.198 -3.408 4.398 1.00 0.00 C ATOM 1021 C VAL A 68 0.269 -3.631 4.726 1.00 0.00 C ATOM 1022 O VAL A 68 1.168 -3.251 3.979 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.630 -4.144 3.103 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.893 -3.160 1.990 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.622 -5.206 2.657 1.00 0.00 C ATOM 0 H VAL A 68 -1.063 -1.485 3.590 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.779 -3.847 5.209 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.556 -4.669 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.195 -3.699 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.689 -2.478 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.986 -2.592 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.979 -5.687 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.342 -4.735 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.510 -5.954 3.442 1.00 0.00 H new ATOM 1035 N ASN A 69 0.487 -4.201 5.892 1.00 0.00 N ATOM 1036 CA ASN A 69 1.809 -4.563 6.348 1.00 0.00 C ATOM 1037 C ASN A 69 2.133 -5.954 5.855 1.00 0.00 C ATOM 1038 O ASN A 69 1.353 -6.881 6.060 1.00 0.00 O ATOM 1039 CB ASN A 69 1.858 -4.538 7.875 1.00 0.00 C ATOM 1040 CG ASN A 69 3.273 -4.517 8.423 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.886 -3.460 8.547 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.789 -5.678 8.790 1.00 0.00 N ATOM 0 H ASN A 69 -0.255 -4.427 6.554 1.00 0.00 H new ATOM 0 HA ASN A 69 2.537 -3.851 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.322 -3.660 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.337 -5.413 8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.726 -5.716 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.250 -6.536 8.672 1.00 0.00 H new ATOM 1049 N TYR A 70 3.253 -6.095 5.190 1.00 0.00 N ATOM 1050 CA TYR A 70 3.695 -7.393 4.732 1.00 0.00 C ATOM 1051 C TYR A 70 4.575 -8.059 5.768 1.00 0.00 C ATOM 1052 O TYR A 70 4.990 -7.437 6.747 1.00 0.00 O ATOM 1053 CB TYR A 70 4.466 -7.267 3.432 1.00 0.00 C ATOM 1054 CG TYR A 70 3.611 -7.262 2.193 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.396 -6.097 1.477 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.044 -8.437 1.725 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.640 -6.108 0.326 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.284 -8.453 0.579 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.087 -7.286 -0.116 1.00 0.00 C ATOM 1060 OH TYR A 70 1.343 -7.299 -1.267 1.00 0.00 O ATOM 0 H TYR A 70 3.879 -5.325 4.952 1.00 0.00 H new ATOM 0 HA TYR A 70 2.808 -8.005 4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.049 -6.346 3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.175 -8.092 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.826 -5.169 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.202 -9.356 2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.482 -5.194 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.846 -9.376 0.229 1.00 0.00 H new ATOM 0 HH TYR A 70 1.000 -6.398 -1.445 1.00 0.00 H new ATOM 1070 N VAL A 71 4.856 -9.332 5.546 1.00 0.00 N ATOM 1071 CA VAL A 71 5.696 -10.086 6.452 1.00 0.00 C ATOM 1072 C VAL A 71 7.171 -9.775 6.205 1.00 0.00 C ATOM 1073 O VAL A 71 8.008 -9.956 7.088 1.00 0.00 O ATOM 1074 CB VAL A 71 5.445 -11.597 6.330 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.998 -11.910 6.678 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.789 -12.089 4.935 1.00 0.00 C ATOM 0 H VAL A 71 4.513 -9.862 4.745 1.00 0.00 H new ATOM 0 HA VAL A 71 5.436 -9.783 7.466 1.00 0.00 H new ATOM 0 HB VAL A 71 6.093 -12.120 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.826 -12.983 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.793 -11.593 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.336 -11.379 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.604 -13.161 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.170 -11.570 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.840 -11.890 4.728 1.00 0.00 H new ATOM 1086 N THR A 72 7.485 -9.304 5.000 1.00 0.00 N ATOM 1087 CA THR A 72 8.818 -8.814 4.698 1.00 0.00 C ATOM 1088 C THR A 72 8.737 -7.385 4.195 1.00 0.00 C ATOM 1089 O THR A 72 7.654 -6.859 3.958 1.00 0.00 O ATOM 1090 CB THR A 72 9.545 -9.640 3.615 1.00 0.00 C ATOM 1091 OG1 THR A 72 8.756 -9.757 2.434 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.929 -11.018 4.090 1.00 0.00 C ATOM 0 H THR A 72 6.830 -9.253 4.220 1.00 0.00 H new ATOM 0 HA THR A 72 9.382 -8.892 5.627 1.00 0.00 H new ATOM 0 HB THR A 72 10.460 -9.092 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.010 -9.123 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.436 -11.552 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.596 -10.934 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.032 -11.566 4.380 1.00 0.00 H new ATOM 1100 N ALA A 73 9.887 -6.759 4.046 1.00 0.00 N ATOM 1101 CA ALA A 73 9.972 -5.514 3.306 1.00 0.00 C ATOM 1102 C ALA A 73 10.263 -5.857 1.851 1.00 0.00 C ATOM 1103 O ALA A 73 10.182 -5.019 0.952 1.00 0.00 O ATOM 1104 CB ALA A 73 11.048 -4.610 3.887 1.00 0.00 C ATOM 0 H ALA A 73 10.774 -7.090 4.426 1.00 0.00 H new ATOM 0 HA ALA A 73 9.032 -4.967 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.092 -3.683 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.811 -4.384 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.013 -5.114 3.836 1.00 0.00 H new ATOM 1110 N LYS A 74 10.594 -7.128 1.660 1.00 0.00 N ATOM 1111 CA LYS A 74 10.888 -7.704 0.359 1.00 0.00 C ATOM 1112 C LYS A 74 9.638 -7.783 -0.526 1.00 0.00 C ATOM 1113 O LYS A 74 9.623 -7.252 -1.637 1.00 0.00 O ATOM 1114 CB LYS A 74 11.525 -9.082 0.585 1.00 0.00 C ATOM 1115 CG LYS A 74 11.460 -10.014 -0.602 1.00 0.00 C ATOM 1116 CD LYS A 74 10.421 -11.093 -0.375 1.00 0.00 C ATOM 1117 CE LYS A 74 9.857 -11.574 -1.693 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.822 -12.438 -2.424 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.666 -7.800 2.424 1.00 0.00 H new ATOM 0 HA LYS A 74 11.586 -7.064 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.570 -8.942 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.032 -9.560 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.216 -9.449 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.436 -10.470 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.869 -11.929 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.617 -10.706 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.936 -12.129 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.597 -10.715 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.399 -12.748 -3.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.691 -11.901 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.051 -13.270 -1.844 1.00 0.00 H new ATOM 1132 N ASP A 75 8.591 -8.431 -0.031 1.00 0.00 N ATOM 1133 CA ASP A 75 7.335 -8.556 -0.774 1.00 0.00 C ATOM 1134 C ASP A 75 6.543 -7.263 -0.707 1.00 0.00 C ATOM 1135 O ASP A 75 5.683 -6.997 -1.540 1.00 0.00 O ATOM 1136 CB ASP A 75 6.523 -9.743 -0.255 1.00 0.00 C ATOM 1137 CG ASP A 75 6.093 -9.645 1.197 1.00 0.00 C ATOM 1138 OD1 ASP A 75 5.320 -10.522 1.640 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.556 -8.732 1.909 1.00 0.00 O1- ATOM 0 H ASP A 75 8.583 -8.881 0.884 1.00 0.00 H new ATOM 0 HA ASP A 75 7.565 -8.745 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.633 -9.853 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.114 -10.650 -0.382 1.00 0.00 H new ATOM 1144 N ALA A 76 6.850 -6.471 0.292 1.00 0.00 N ATOM 1145 CA ALA A 76 6.377 -5.086 0.355 1.00 0.00 C ATOM 1146 C ALA A 76 6.832 -4.316 -0.885 1.00 0.00 C ATOM 1147 O ALA A 76 6.017 -3.742 -1.609 1.00 0.00 O ATOM 1148 CB ALA A 76 6.877 -4.407 1.624 1.00 0.00 C ATOM 0 H ALA A 76 7.429 -6.753 1.083 1.00 0.00 H new ATOM 0 HA ALA A 76 5.287 -5.090 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.516 -3.379 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.507 -4.947 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.967 -4.409 1.632 1.00 0.00 H new ATOM 1154 N GLU A 77 8.135 -4.325 -1.134 1.00 0.00 N ATOM 1155 CA GLU A 77 8.694 -3.758 -2.356 1.00 0.00 C ATOM 1156 C GLU A 77 8.118 -4.475 -3.572 1.00 0.00 C ATOM 1157 O GLU A 77 7.875 -3.859 -4.609 1.00 0.00 O ATOM 1158 CB GLU A 77 10.219 -3.894 -2.327 1.00 0.00 C ATOM 1159 CG GLU A 77 10.898 -3.553 -3.640 1.00 0.00 C ATOM 1160 CD GLU A 77 12.401 -3.726 -3.577 1.00 0.00 C ATOM 1161 OE1 GLU A 77 12.878 -4.876 -3.657 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.116 -2.711 -3.448 1.00 0.00 O1- ATOM 0 H GLU A 77 8.830 -4.722 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 77 8.432 -2.702 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.616 -3.245 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.476 -4.917 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.495 -4.188 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.665 -2.523 -3.909 1.00 0.00 H new ATOM 1169 N ARG A 78 7.855 -5.768 -3.416 1.00 0.00 N ATOM 1170 CA ARG A 78 7.321 -6.576 -4.492 1.00 0.00 C ATOM 1171 C ARG A 78 5.928 -6.085 -4.849 1.00 0.00 C ATOM 1172 O ARG A 78 5.555 -6.038 -6.012 1.00 0.00 O ATOM 1173 CB ARG A 78 7.281 -8.041 -4.073 1.00 0.00 C ATOM 1174 CG ARG A 78 7.042 -9.017 -5.203 1.00 0.00 C ATOM 1175 CD ARG A 78 7.117 -10.455 -4.712 1.00 0.00 C ATOM 1176 NE ARG A 78 6.883 -11.416 -5.788 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.733 -12.729 -5.601 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.775 -13.242 -4.378 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.536 -13.530 -6.641 1.00 0.00 N ATOM 0 H ARG A 78 8.007 -6.277 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 78 7.963 -6.487 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.225 -8.292 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.496 -8.170 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.064 -8.832 -5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.782 -8.858 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.097 -10.636 -4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.380 -10.607 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 78 6.831 -11.061 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.923 -12.632 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.660 -14.246 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.499 -13.142 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.421 -14.533 -6.497 1.00 0.00 H new ATOM 1193 N ALA A 79 5.163 -5.696 -3.842 1.00 0.00 N ATOM 1194 CA ALA A 79 3.838 -5.156 -4.076 1.00 0.00 C ATOM 1195 C ALA A 79 3.930 -3.843 -4.817 1.00 0.00 C ATOM 1196 O ALA A 79 3.110 -3.544 -5.680 1.00 0.00 O ATOM 1197 CB ALA A 79 3.073 -4.978 -2.774 1.00 0.00 C ATOM 0 H ALA A 79 5.437 -5.744 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 79 3.289 -5.870 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.084 -4.571 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.970 -5.943 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.616 -4.292 -2.124 1.00 0.00 H new ATOM 1203 N ILE A 80 4.935 -3.061 -4.481 1.00 0.00 N ATOM 1204 CA ILE A 80 5.130 -1.784 -5.131 1.00 0.00 C ATOM 1205 C ILE A 80 5.575 -1.943 -6.582 1.00 0.00 C ATOM 1206 O ILE A 80 5.138 -1.200 -7.458 1.00 0.00 O ATOM 1207 CB ILE A 80 6.148 -0.932 -4.382 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.802 -0.869 -2.899 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.175 0.458 -4.965 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.811 -0.115 -2.079 1.00 0.00 C ATOM 0 H ILE A 80 5.626 -3.287 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 80 4.163 -1.282 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 80 7.133 -1.386 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.826 -0.399 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.716 -1.884 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.904 1.064 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.453 0.406 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.188 0.911 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.501 -0.111 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.784 -0.598 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.881 0.911 -2.441 1.00 0.00 H new ATOM 1222 N ASN A 81 6.429 -2.906 -6.854 1.00 0.00 N ATOM 1223 CA ASN A 81 6.931 -3.059 -8.207 1.00 0.00 C ATOM 1224 C ASN A 81 6.021 -3.938 -9.045 1.00 0.00 C ATOM 1225 O ASN A 81 6.006 -3.845 -10.272 1.00 0.00 O ATOM 1226 CB ASN A 81 8.359 -3.600 -8.217 1.00 0.00 C ATOM 1227 CG ASN A 81 8.554 -4.911 -7.474 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.754 -5.836 -7.571 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.635 -4.989 -6.716 1.00 0.00 N ATOM 0 H ASN A 81 6.785 -3.581 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 81 6.944 -2.065 -8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.673 -3.736 -9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.019 -2.850 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.826 -5.840 -6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.277 -4.199 -6.661 1.00 0.00 H new ATOM 1236 N THR A 82 5.285 -4.802 -8.383 1.00 0.00 N ATOM 1237 CA THR A 82 4.358 -5.675 -9.063 1.00 0.00 C ATOM 1238 C THR A 82 2.958 -5.063 -9.156 1.00 0.00 C ATOM 1239 O THR A 82 2.463 -4.803 -10.254 1.00 0.00 O ATOM 1240 CB THR A 82 4.302 -7.055 -8.380 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.466 -7.819 -8.722 1.00 0.00 O ATOM 1242 CG2 THR A 82 3.037 -7.821 -8.748 1.00 0.00 C ATOM 0 H THR A 82 5.312 -4.918 -7.370 1.00 0.00 H new ATOM 0 HA THR A 82 4.726 -5.805 -10.081 1.00 0.00 H new ATOM 0 HB THR A 82 4.281 -6.892 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.268 -7.354 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.038 -8.788 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.162 -7.250 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.005 -7.973 -9.827 1.00 0.00 H new ATOM 1250 N LEU A 83 2.328 -4.815 -8.010 1.00 0.00 N ATOM 1251 CA LEU A 83 0.947 -4.370 -7.991 1.00 0.00 C ATOM 1252 C LEU A 83 0.808 -2.889 -8.293 1.00 0.00 C ATOM 1253 O LEU A 83 0.040 -2.527 -9.167 1.00 0.00 O ATOM 1254 CB LEU A 83 0.305 -4.640 -6.637 1.00 0.00 C ATOM 1255 CG LEU A 83 0.214 -6.104 -6.203 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.446 -6.189 -4.839 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.559 -6.937 -7.211 1.00 0.00 C ATOM 0 H LEU A 83 2.754 -4.916 -7.089 1.00 0.00 H new ATOM 0 HA LEU A 83 0.441 -4.937 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.866 -4.094 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.703 -4.225 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 83 1.225 -6.507 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.511 -7.232 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.146 -5.632 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.448 -5.764 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.604 -7.971 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.571 -6.543 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.058 -6.895 -8.178 1.00 0.00 H new ATOM 1269 N ASN A 84 1.569 -2.049 -7.573 1.00 0.00 N ATOM 1270 CA ASN A 84 1.375 -0.586 -7.577 1.00 0.00 C ATOM 1271 C ASN A 84 0.994 -0.054 -8.957 1.00 0.00 C ATOM 1272 O ASN A 84 1.788 -0.079 -9.900 1.00 0.00 O ATOM 1273 CB ASN A 84 2.631 0.100 -7.041 1.00 0.00 C ATOM 1274 CG ASN A 84 2.502 1.604 -6.931 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.410 2.136 -6.750 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.627 2.297 -7.018 1.00 0.00 N ATOM 0 H ASN A 84 2.333 -2.361 -6.974 1.00 0.00 H new ATOM 0 HA ASN A 84 0.536 -0.355 -6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.866 -0.309 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.471 -0.137 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.608 3.313 -6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.513 1.814 -7.169 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.245 0.417 -9.051 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.849 0.739 -10.328 1.00 0.00 C ATOM 1285 C GLY A 85 -1.676 -0.422 -10.853 1.00 0.00 C ATOM 1286 O GLY A 85 -1.834 -0.585 -12.063 1.00 0.00 O ATOM 0 H GLY A 85 -0.851 0.583 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.481 1.621 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.071 0.990 -11.049 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.192 -1.239 -9.937 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.975 -2.410 -10.304 1.00 0.00 C ATOM 1292 C LEU A 86 -4.427 -2.005 -10.488 1.00 0.00 C ATOM 1293 O LEU A 86 -4.951 -1.206 -9.711 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.853 -3.476 -9.199 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.973 -4.949 -9.635 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.350 -5.252 -10.197 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.898 -5.300 -10.653 1.00 0.00 C ATOM 0 H LEU A 86 -2.079 -1.108 -8.932 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.601 -2.828 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.889 -3.345 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.622 -3.280 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.829 -5.566 -8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.399 -6.299 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.105 -5.055 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.536 -4.619 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.002 -6.345 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.007 -4.664 -11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.914 -5.143 -10.211 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.060 -2.528 -11.528 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.479 -2.308 -11.737 1.00 0.00 C ATOM 1311 C ARG A 87 -7.288 -3.127 -10.740 1.00 0.00 C ATOM 1312 O ARG A 87 -7.688 -4.258 -11.011 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.878 -2.654 -13.171 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.392 -1.638 -14.188 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.086 -0.297 -14.003 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.593 0.714 -14.935 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.143 1.917 -15.093 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.251 2.244 -14.435 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.596 2.788 -15.930 1.00 0.00 N ATOM 0 H ARG A 87 -4.612 -3.107 -12.238 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.693 -1.251 -11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.477 -3.635 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.964 -2.728 -13.231 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.314 -1.509 -14.090 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.578 -2.011 -15.195 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.160 -0.424 -14.142 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.935 0.050 -12.981 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.776 0.484 -15.501 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.686 1.572 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.666 3.167 -14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.756 2.536 -16.451 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.015 3.710 -16.053 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.517 -2.528 -9.591 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.291 -3.130 -8.529 1.00 0.00 C ATOM 1335 C LEU A 88 -9.725 -2.684 -8.670 1.00 0.00 C ATOM 1336 O LEU A 88 -10.058 -1.540 -8.375 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.747 -2.673 -7.187 1.00 0.00 C ATOM 1338 CG LEU A 88 -8.181 -3.454 -5.948 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -8.588 -4.874 -6.281 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -7.060 -3.450 -4.921 1.00 0.00 C ATOM 0 H LEU A 88 -7.166 -1.597 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.230 -4.217 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.659 -2.701 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.033 -1.631 -7.045 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.059 -2.959 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.888 -5.390 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -9.423 -4.858 -6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.746 -5.397 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.373 -4.008 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.173 -3.916 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.830 -2.423 -4.638 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.553 -3.583 -9.144 1.00 0.00 N ATOM 1353 CA GLN A 89 -11.949 -3.276 -9.433 1.00 0.00 C ATOM 1354 C GLN A 89 -12.047 -2.133 -10.434 1.00 0.00 C ATOM 1355 O GLN A 89 -12.919 -1.271 -10.324 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.689 -2.900 -8.170 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.563 -3.927 -7.066 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.519 -3.654 -5.927 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.977 -4.566 -5.242 1.00 0.00 O ATOM 1360 NE2 GLN A 89 -13.829 -2.388 -5.723 1.00 0.00 N ATOM 0 H GLN A 89 -10.288 -4.548 -9.343 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.406 -4.169 -9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.312 -1.943 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.744 -2.759 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.756 -4.920 -7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.540 -3.930 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.426 -1.662 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.472 -2.135 -4.973 1.00 0.00 H new ATOM 1369 N SER A 90 -11.096 -2.116 -11.366 1.00 0.00 N ATOM 1370 CA SER A 90 -11.016 -1.112 -12.434 1.00 0.00 C ATOM 1371 C SER A 90 -10.395 0.188 -11.919 1.00 0.00 C ATOM 1372 O SER A 90 -10.106 1.112 -12.683 1.00 0.00 O ATOM 1373 CB SER A 90 -12.401 -0.857 -13.034 1.00 0.00 C ATOM 1374 OG SER A 90 -12.316 -0.230 -14.306 1.00 0.00 O ATOM 0 H SER A 90 -10.347 -2.807 -11.404 1.00 0.00 H new ATOM 0 HA SER A 90 -10.369 -1.501 -13.220 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.936 -1.802 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.981 -0.229 -12.357 1.00 0.00 H new ATOM 0 HG SER A 90 -11.627 0.467 -14.282 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.175 0.232 -10.623 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.560 1.375 -9.964 1.00 0.00 C ATOM 1382 C LYS A 91 -8.055 1.163 -9.886 1.00 0.00 C ATOM 1383 O LYS A 91 -7.609 0.067 -9.584 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.136 1.504 -8.557 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.698 2.861 -8.223 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.619 3.908 -8.255 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.911 4.982 -7.237 1.00 0.00 C ATOM 1388 NZ LYS A 91 -9.487 6.328 -7.703 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.418 -0.528 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.765 2.285 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.923 0.760 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.354 1.263 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.483 3.119 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.158 2.836 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.652 3.451 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.556 4.347 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.979 4.994 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.400 4.745 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.707 7.034 -6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.463 6.326 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.994 6.568 -8.579 1.00 0.00 H new ATOM 1402 N THR A 92 -7.267 2.187 -10.152 1.00 0.00 N ATOM 1403 CA THR A 92 -5.823 2.011 -10.129 1.00 0.00 C ATOM 1404 C THR A 92 -5.239 2.471 -8.809 1.00 0.00 C ATOM 1405 O THR A 92 -5.341 3.636 -8.449 1.00 0.00 O ATOM 1406 CB THR A 92 -5.127 2.748 -11.281 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.092 3.129 -12.271 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.061 1.865 -11.919 1.00 0.00 C ATOM 0 H THR A 92 -7.588 3.127 -10.381 1.00 0.00 H new ATOM 0 HA THR A 92 -5.642 0.943 -10.253 1.00 0.00 H new ATOM 0 HB THR A 92 -4.647 3.640 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.641 3.600 -13.003 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.580 2.406 -12.733 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.315 1.597 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.525 0.959 -12.310 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.604 1.542 -8.118 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.143 1.745 -6.752 1.00 0.00 C ATOM 1418 C ILE A 93 -2.716 2.299 -6.691 1.00 0.00 C ATOM 1419 O ILE A 93 -1.995 2.286 -7.689 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.246 0.419 -5.955 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.458 -0.729 -6.626 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.710 0.029 -5.830 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -1.967 -0.589 -6.567 1.00 0.00 C ATOM 0 H ILE A 93 -4.391 0.617 -8.490 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.792 2.494 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.806 0.583 -4.971 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.739 -1.669 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.761 -0.796 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.792 -0.903 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.253 0.816 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.137 -0.106 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.502 -1.441 -7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.668 0.331 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.646 -0.555 -5.526 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.317 2.792 -5.520 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.929 3.173 -5.286 1.00 0.00 C ATOM 1437 C LYS A 94 -0.417 2.547 -4.004 1.00 0.00 C ATOM 1438 O LYS A 94 -0.809 2.951 -2.916 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.742 4.686 -5.182 1.00 0.00 C ATOM 1440 CG LYS A 94 0.686 5.076 -4.824 1.00 0.00 C ATOM 1441 CD LYS A 94 0.736 6.266 -3.884 1.00 0.00 C ATOM 1442 CE LYS A 94 0.407 5.891 -2.449 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.408 7.083 -1.557 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.935 2.936 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.367 2.812 -6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.014 5.148 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.423 5.082 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.187 4.227 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.236 5.311 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.730 6.712 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.034 7.025 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.570 5.410 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.134 5.164 -2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.180 6.790 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.348 7.527 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.303 7.766 -1.889 1.00 0.00 H new ATOM 1457 N VAL A 95 0.464 1.582 -4.126 1.00 0.00 N ATOM 1458 CA VAL A 95 1.071 0.977 -2.961 1.00 0.00 C ATOM 1459 C VAL A 95 2.487 1.531 -2.781 1.00 0.00 C ATOM 1460 O VAL A 95 3.244 1.684 -3.742 1.00 0.00 O ATOM 1461 CB VAL A 95 1.065 -0.566 -3.040 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.173 -1.054 -4.164 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.455 -1.127 -3.165 1.00 0.00 C ATOM 0 H VAL A 95 0.777 1.199 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 95 0.477 1.236 -2.085 1.00 0.00 H new ATOM 0 HB VAL A 95 0.653 -0.935 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.189 -2.143 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.847 -0.711 -3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.535 -0.659 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.405 -2.215 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.923 -0.741 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.046 -0.832 -2.298 1.00 0.00 H new ATOM 1473 N SER A 96 2.803 1.882 -1.552 1.00 0.00 N ATOM 1474 CA SER A 96 4.083 2.473 -1.196 1.00 0.00 C ATOM 1475 C SER A 96 4.318 2.280 0.293 1.00 0.00 C ATOM 1476 O SER A 96 3.367 2.113 1.039 1.00 0.00 O ATOM 1477 CB SER A 96 4.087 3.971 -1.537 1.00 0.00 C ATOM 1478 OG SER A 96 3.967 4.177 -2.937 1.00 0.00 O ATOM 0 H SER A 96 2.172 1.765 -0.759 1.00 0.00 H new ATOM 0 HA SER A 96 4.879 1.987 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.264 4.467 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.009 4.427 -1.177 1.00 0.00 H new ATOM 0 HG SER A 96 3.848 3.314 -3.386 1.00 0.00 H new ATOM 1484 N TYR A 97 5.572 2.273 0.723 1.00 0.00 N ATOM 1485 CA TYR A 97 5.878 2.162 2.148 1.00 0.00 C ATOM 1486 C TYR A 97 5.224 3.305 2.900 1.00 0.00 C ATOM 1487 O TYR A 97 5.549 4.471 2.662 1.00 0.00 O ATOM 1488 CB TYR A 97 7.384 2.214 2.399 1.00 0.00 C ATOM 1489 CG TYR A 97 8.216 1.425 1.418 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.163 0.036 1.368 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.073 2.082 0.550 1.00 0.00 C ATOM 1492 CE1 TYR A 97 8.943 -0.670 0.470 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.852 1.387 -0.348 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.787 0.011 -0.386 1.00 0.00 C ATOM 1495 OH TYR A 97 10.563 -0.688 -1.282 1.00 0.00 O ATOM 0 H TYR A 97 6.388 2.342 0.115 1.00 0.00 H new ATOM 0 HA TYR A 97 5.495 1.203 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.707 3.255 2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.584 1.843 3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.505 -0.497 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.131 3.160 0.578 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.893 -1.748 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.511 1.918 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 97 11.098 -0.060 -1.811 1.00 0.00 H new ATOM 1505 N ALA A 98 4.292 2.975 3.777 1.00 0.00 N ATOM 1506 CA ALA A 98 3.666 3.978 4.610 1.00 0.00 C ATOM 1507 C ALA A 98 4.641 4.366 5.708 1.00 0.00 C ATOM 1508 O ALA A 98 4.741 3.673 6.721 1.00 0.00 O ATOM 1509 CB ALA A 98 2.354 3.467 5.195 1.00 0.00 C ATOM 0 H ALA A 98 3.955 2.024 3.928 1.00 0.00 H new ATOM 0 HA ALA A 98 3.423 4.854 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.906 4.242 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.670 3.211 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.546 2.582 5.801 1.00 0.00 H new