USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -0.0814 K(o=0.56,f=-4.4!) USER MOD Set 1.2: A 82 THR OG1 : rot 56:sc= 0.636 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 THR OG1 : rot 79:sc= 1.25 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.21 K(o=3.5,f=-3.5!) USER MOD Single : A 23 ASN : amide:sc= -2! C(o=-2!,f=-2.6!) USER MOD Single : A 27 ASN : amide:sc= 0.0149 K(o=0.015,f=-1.1) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0271 F(o=-1.2,f=-0.027) USER MOD Single : A 32 ASN : amide:sc= 0.27 K(o=0.27,f=-5.1!) USER MOD Single : A 33 MET CE :methyl 164:sc= -2.7 (180deg=-3.54) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.83! USER MOD Single : A 35 GLN :FLIP amide:sc= -5.43! C(o=-6.8!,f=-5.4!) USER MOD Single : A 40 SER OG : rot 81:sc= 1.32 USER MOD Single : A 43 SER OG : rot 66:sc= 0.551! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -94:sc= 1.33 USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD Single : A 62 SER OG : rot 180:sc= 0.012 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.021 USER MOD Single : A 70 TYR OH : rot 24:sc= -1.37 USER MOD Single : A 72 THR OG1 : rot -178:sc= 0.676 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.01 K(o=-3,f=-9.1!) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.9! C(o=-3.2!,f=-1.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00147 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.322 -2.936 5.761 1.00 0.00 N ATOM 302 CA THR A 22 7.339 -3.929 5.384 1.00 0.00 C ATOM 303 C THR A 22 5.957 -3.287 5.324 1.00 0.00 C ATOM 304 O THR A 22 5.042 -3.796 4.679 1.00 0.00 O ATOM 305 CB THR A 22 7.333 -5.091 6.397 1.00 0.00 C ATOM 306 OG1 THR A 22 7.052 -4.590 7.710 1.00 0.00 O ATOM 307 CG2 THR A 22 8.674 -5.803 6.411 1.00 0.00 C ATOM 0 HA THR A 22 7.597 -4.324 4.402 1.00 0.00 H new ATOM 0 HB THR A 22 6.561 -5.800 6.097 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.090 -4.428 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.645 -6.619 7.133 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.884 -6.204 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.457 -5.098 6.691 1.00 0.00 H new ATOM 315 N ASN A 23 5.829 -2.155 6.007 1.00 0.00 N ATOM 316 CA ASN A 23 4.574 -1.413 6.080 1.00 0.00 C ATOM 317 C ASN A 23 4.309 -0.710 4.761 1.00 0.00 C ATOM 318 O ASN A 23 5.058 0.186 4.370 1.00 0.00 O ATOM 319 CB ASN A 23 4.668 -0.366 7.186 1.00 0.00 C ATOM 320 CG ASN A 23 3.313 0.152 7.629 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.302 -0.543 7.530 1.00 0.00 O ATOM 322 ND2 ASN A 23 3.288 1.374 8.138 1.00 0.00 N ATOM 0 H ASN A 23 6.594 -1.724 6.527 1.00 0.00 H new ATOM 0 HA ASN A 23 3.763 -2.110 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.184 -0.797 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.274 0.470 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.408 1.772 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.149 1.917 8.202 1.00 0.00 H new ATOM 329 N LEU A 24 3.257 -1.102 4.076 1.00 0.00 N ATOM 330 CA LEU A 24 2.962 -0.530 2.780 1.00 0.00 C ATOM 331 C LEU A 24 1.693 0.301 2.820 1.00 0.00 C ATOM 332 O LEU A 24 0.606 -0.204 3.101 1.00 0.00 O ATOM 333 CB LEU A 24 2.837 -1.633 1.733 1.00 0.00 C ATOM 334 CG LEU A 24 3.698 -1.453 0.488 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.164 -1.322 0.861 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.499 -2.620 -0.445 1.00 0.00 C ATOM 0 H LEU A 24 2.595 -1.810 4.392 1.00 0.00 H new ATOM 0 HA LEU A 24 3.787 0.129 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.096 -2.584 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.794 -1.702 1.426 1.00 0.00 H new ATOM 0 HG LEU A 24 3.392 -0.536 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.759 -1.195 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.299 -0.456 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.488 -2.221 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.117 -2.486 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.785 -3.543 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.451 -2.677 -0.738 1.00 0.00 H new ATOM 348 N ILE A 25 1.845 1.579 2.543 1.00 0.00 N ATOM 349 CA ILE A 25 0.716 2.471 2.424 1.00 0.00 C ATOM 350 C ILE A 25 0.169 2.366 1.011 1.00 0.00 C ATOM 351 O ILE A 25 0.925 2.345 0.044 1.00 0.00 O ATOM 352 CB ILE A 25 1.097 3.934 2.736 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.163 4.790 2.834 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.063 4.483 1.697 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.102 6.256 3.086 1.00 0.00 C ATOM 0 H ILE A 25 2.750 2.025 2.395 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.039 2.177 3.153 1.00 0.00 H new ATOM 0 HB ILE A 25 1.609 3.965 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.730 4.689 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.790 4.403 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.314 5.515 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.971 3.881 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.597 4.447 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.845 6.793 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.641 6.372 4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.702 6.663 2.272 1.00 0.00 H new ATOM 367 N VAL A 26 -1.128 2.250 0.884 1.00 0.00 N ATOM 368 CA VAL A 26 -1.729 2.127 -0.425 1.00 0.00 C ATOM 369 C VAL A 26 -2.771 3.198 -0.609 1.00 0.00 C ATOM 370 O VAL A 26 -3.821 3.172 0.026 1.00 0.00 O ATOM 371 CB VAL A 26 -2.367 0.753 -0.631 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.718 0.547 -2.093 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.426 -0.325 -0.148 1.00 0.00 C ATOM 0 H VAL A 26 -1.787 2.238 1.663 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.937 2.244 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.288 0.697 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.171 -0.436 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.422 1.316 -2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.813 0.612 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.885 -1.302 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.494 -0.273 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.219 -0.179 0.912 1.00 0.00 H new ATOM 383 N ASN A 27 -2.466 4.146 -1.459 1.00 0.00 N ATOM 384 CA ASN A 27 -3.371 5.241 -1.712 1.00 0.00 C ATOM 385 C ASN A 27 -4.157 4.959 -2.970 1.00 0.00 C ATOM 386 O ASN A 27 -3.930 3.948 -3.641 1.00 0.00 O ATOM 387 CB ASN A 27 -2.609 6.554 -1.863 1.00 0.00 C ATOM 388 CG ASN A 27 -3.216 7.677 -1.048 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.163 8.331 -1.482 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.649 7.930 0.121 1.00 0.00 N ATOM 0 H ASN A 27 -1.596 4.182 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.050 5.336 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.574 6.406 -1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.592 6.841 -2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.996 8.694 0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.865 7.361 0.441 1.00 0.00 H new ATOM 397 N TYR A 28 -5.070 5.862 -3.283 1.00 0.00 N ATOM 398 CA TYR A 28 -5.883 5.775 -4.491 1.00 0.00 C ATOM 399 C TYR A 28 -6.748 4.510 -4.489 1.00 0.00 C ATOM 400 O TYR A 28 -7.119 4.000 -5.545 1.00 0.00 O ATOM 401 CB TYR A 28 -4.988 5.810 -5.734 1.00 0.00 C ATOM 402 CG TYR A 28 -4.086 7.024 -5.811 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.841 7.011 -5.200 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.471 8.176 -6.485 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.999 8.102 -5.254 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.633 9.277 -6.546 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.400 9.233 -5.927 1.00 0.00 C ATOM 408 OH TYR A 28 -1.560 10.322 -5.986 1.00 0.00 O ATOM 0 H TYR A 28 -5.271 6.680 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.551 6.636 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.372 4.911 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.618 5.781 -6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.523 6.126 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.436 8.214 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.033 8.069 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.943 10.166 -7.075 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.989 11.039 -6.498 1.00 0.00 H new ATOM 418 N LEU A 29 -7.063 4.013 -3.295 1.00 0.00 N ATOM 419 CA LEU A 29 -7.953 2.864 -3.152 1.00 0.00 C ATOM 420 C LEU A 29 -9.363 3.252 -3.569 1.00 0.00 C ATOM 421 O LEU A 29 -9.788 4.391 -3.353 1.00 0.00 O ATOM 422 CB LEU A 29 -7.978 2.367 -1.701 1.00 0.00 C ATOM 423 CG LEU A 29 -6.656 1.811 -1.173 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.872 1.082 0.144 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.024 0.888 -2.195 1.00 0.00 C ATOM 0 H LEU A 29 -6.715 4.388 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.581 2.064 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.288 3.191 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.739 1.591 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.977 2.645 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.920 0.693 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.284 1.773 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.568 0.256 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.083 0.501 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.700 0.058 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.834 1.440 -3.115 1.00 0.00 H new ATOM 437 N PRO A 30 -10.106 2.318 -4.176 1.00 0.00 N ATOM 438 CA PRO A 30 -11.496 2.557 -4.547 1.00 0.00 C ATOM 439 C PRO A 30 -12.327 2.919 -3.324 1.00 0.00 C ATOM 440 O PRO A 30 -12.176 2.310 -2.261 1.00 0.00 O ATOM 441 CB PRO A 30 -11.968 1.219 -5.117 1.00 0.00 C ATOM 442 CG PRO A 30 -10.727 0.480 -5.474 1.00 0.00 C ATOM 443 CD PRO A 30 -9.656 0.963 -4.539 1.00 0.00 C ATOM 0 HA PRO A 30 -11.597 3.382 -5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.557 0.666 -4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.602 1.366 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.874 -0.595 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.449 0.667 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.568 0.321 -3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.679 0.980 -5.022 1.00 0.00 H new ATOM 451 N GLN A 31 -13.212 3.890 -3.480 1.00 0.00 N ATOM 452 CA GLN A 31 -13.998 4.403 -2.364 1.00 0.00 C ATOM 453 C GLN A 31 -14.987 3.356 -1.861 1.00 0.00 C ATOM 454 O GLN A 31 -15.559 3.493 -0.779 1.00 0.00 O ATOM 455 CB GLN A 31 -14.747 5.661 -2.788 1.00 0.00 C ATOM 456 CG GLN A 31 -13.837 6.763 -3.298 1.00 0.00 C ATOM 457 CD GLN A 31 -12.944 7.345 -2.220 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.753 6.786 -2.072 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.316 8.299 -1.536 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.407 4.343 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.314 4.645 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.464 5.402 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.320 6.037 -1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.216 6.369 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.446 7.559 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.242 8.701 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.698 8.687 -0.824 1.00 0.00 H new ATOM 468 N ASN A 32 -15.175 2.313 -2.654 1.00 0.00 N ATOM 469 CA ASN A 32 -16.124 1.258 -2.340 1.00 0.00 C ATOM 470 C ASN A 32 -15.419 -0.072 -2.085 1.00 0.00 C ATOM 471 O ASN A 32 -16.054 -1.123 -2.081 1.00 0.00 O ATOM 472 CB ASN A 32 -17.115 1.093 -3.497 1.00 0.00 C ATOM 473 CG ASN A 32 -16.443 0.676 -4.798 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.287 1.018 -5.060 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.161 -0.066 -5.621 1.00 0.00 N ATOM 0 H ASN A 32 -14.675 2.175 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.653 1.544 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.862 0.348 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.644 2.033 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.763 -0.376 -6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.114 -0.329 -5.370 1.00 0.00 H new ATOM 482 N MET A 33 -14.107 -0.040 -1.886 1.00 0.00 N ATOM 483 CA MET A 33 -13.357 -1.271 -1.653 1.00 0.00 C ATOM 484 C MET A 33 -13.276 -1.596 -0.164 1.00 0.00 C ATOM 485 O MET A 33 -13.635 -0.773 0.676 1.00 0.00 O ATOM 486 CB MET A 33 -11.958 -1.150 -2.238 1.00 0.00 C ATOM 487 CG MET A 33 -11.512 -2.405 -2.960 1.00 0.00 C ATOM 488 SD MET A 33 -9.867 -2.257 -3.660 1.00 0.00 S ATOM 489 CE MET A 33 -8.929 -1.733 -2.232 1.00 0.00 C ATOM 0 H MET A 33 -13.545 0.811 -1.881 1.00 0.00 H new ATOM 0 HA MET A 33 -13.884 -2.086 -2.149 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.930 -0.309 -2.931 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.253 -0.927 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.532 -3.245 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.221 -2.632 -3.756 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.865 -1.871 -2.425 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.128 -0.680 -2.032 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.221 -2.328 -1.367 1.00 0.00 H new ATOM 499 N THR A 34 -12.804 -2.801 0.153 1.00 0.00 N ATOM 500 CA THR A 34 -12.720 -3.256 1.537 1.00 0.00 C ATOM 501 C THR A 34 -11.282 -3.568 1.927 1.00 0.00 C ATOM 502 O THR A 34 -10.403 -3.625 1.060 1.00 0.00 O ATOM 503 CB THR A 34 -13.565 -4.530 1.759 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.928 -5.651 1.135 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.954 -4.366 1.169 1.00 0.00 C ATOM 0 H THR A 34 -12.474 -3.480 -0.533 1.00 0.00 H new ATOM 0 HA THR A 34 -13.104 -2.445 2.156 1.00 0.00 H new ATOM 0 HB THR A 34 -13.650 -4.697 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.537 -6.418 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.531 -5.276 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.455 -3.525 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.875 -4.180 0.098 1.00 0.00 H new ATOM 513 N GLN A 35 -11.038 -3.757 3.227 1.00 0.00 N ATOM 514 CA GLN A 35 -9.752 -4.261 3.690 1.00 0.00 C ATOM 515 C GLN A 35 -9.431 -5.545 2.972 1.00 0.00 C ATOM 516 O GLN A 35 -8.354 -5.705 2.427 1.00 0.00 O ATOM 517 CB GLN A 35 -9.741 -4.574 5.190 1.00 0.00 C ATOM 518 CG GLN A 35 -9.984 -3.399 6.117 1.00 0.00 C ATOM 519 CD GLN A 35 -11.417 -2.885 6.116 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.376 -3.759 5.862 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.653 -1.702 6.350 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.712 -3.569 3.969 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.022 -3.477 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.500 -5.331 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.777 -5.016 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.716 -3.691 7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.318 -2.584 5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.886 -1.057 6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.616 -1.365 6.353 1.00 0.00 H new ATOM 530 N ASP A 36 -10.403 -6.441 2.970 1.00 0.00 N ATOM 531 CA ASP A 36 -10.238 -7.775 2.415 1.00 0.00 C ATOM 532 C ASP A 36 -9.838 -7.715 0.949 1.00 0.00 C ATOM 533 O ASP A 36 -9.009 -8.499 0.497 1.00 0.00 O ATOM 534 CB ASP A 36 -11.542 -8.552 2.571 1.00 0.00 C ATOM 535 CG ASP A 36 -11.444 -9.970 2.051 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.974 -10.244 0.955 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.837 -10.816 2.739 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.331 -6.264 3.354 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.440 -8.281 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.823 -8.574 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.337 -8.029 2.040 1.00 0.00 H new ATOM 542 N GLU A 37 -10.409 -6.773 0.210 1.00 0.00 N ATOM 543 CA GLU A 37 -10.083 -6.619 -1.197 1.00 0.00 C ATOM 544 C GLU A 37 -8.670 -6.092 -1.353 1.00 0.00 C ATOM 545 O GLU A 37 -7.892 -6.618 -2.152 1.00 0.00 O ATOM 546 CB GLU A 37 -11.060 -5.669 -1.882 1.00 0.00 C ATOM 547 CG GLU A 37 -12.515 -6.116 -1.831 1.00 0.00 C ATOM 548 CD GLU A 37 -12.774 -7.380 -2.623 1.00 0.00 C ATOM 549 OE1 GLU A 37 -13.432 -8.298 -2.090 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.320 -7.468 -3.783 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.097 -6.108 0.562 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.159 -7.598 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.978 -4.686 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.765 -5.554 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.803 -6.279 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.149 -5.317 -2.216 1.00 0.00 H new ATOM 557 N LEU A 38 -8.345 -5.051 -0.594 1.00 0.00 N ATOM 558 CA LEU A 38 -6.992 -4.538 -0.562 1.00 0.00 C ATOM 559 C LEU A 38 -6.032 -5.657 -0.186 1.00 0.00 C ATOM 560 O LEU A 38 -5.091 -5.981 -0.909 1.00 0.00 O ATOM 561 CB LEU A 38 -6.869 -3.432 0.479 1.00 0.00 C ATOM 562 CG LEU A 38 -5.436 -3.012 0.713 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.039 -1.998 -0.322 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.239 -2.499 2.117 1.00 0.00 C ATOM 0 H LEU A 38 -9.003 -4.551 0.004 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.750 -4.143 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.449 -2.568 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.302 -3.773 1.419 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.785 -3.880 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.006 -1.693 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.132 -2.436 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.690 -1.127 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.198 -2.205 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.885 -1.637 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.491 -3.284 2.830 1.00 0.00 H new ATOM 576 N ARG A 39 -6.324 -6.233 0.963 1.00 0.00 N ATOM 577 CA ARG A 39 -5.551 -7.297 1.556 1.00 0.00 C ATOM 578 C ARG A 39 -5.325 -8.428 0.556 1.00 0.00 C ATOM 579 O ARG A 39 -4.187 -8.816 0.340 1.00 0.00 O ATOM 580 CB ARG A 39 -6.293 -7.791 2.807 1.00 0.00 C ATOM 581 CG ARG A 39 -5.435 -8.465 3.867 1.00 0.00 C ATOM 582 CD ARG A 39 -5.104 -9.901 3.521 1.00 0.00 C ATOM 583 NE ARG A 39 -4.642 -10.640 4.703 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.815 -11.692 4.679 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.312 -12.133 3.538 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.489 -12.302 5.811 1.00 0.00 N ATOM 0 H ARG A 39 -7.132 -5.962 1.524 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.565 -6.929 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.800 -6.941 3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.066 -8.492 2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.510 -7.903 3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.957 -8.437 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.985 -10.390 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.333 -9.924 2.751 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.978 -10.327 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.553 -11.670 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.683 -12.936 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.868 -11.969 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.859 -13.104 5.795 1.00 0.00 H new ATOM 600 N SER A 40 -6.393 -8.917 -0.090 1.00 0.00 N ATOM 601 CA SER A 40 -6.278 -10.059 -1.004 1.00 0.00 C ATOM 602 C SER A 40 -5.360 -9.736 -2.183 1.00 0.00 C ATOM 603 O SER A 40 -4.580 -10.577 -2.624 1.00 0.00 O ATOM 604 CB SER A 40 -7.656 -10.482 -1.519 1.00 0.00 C ATOM 605 OG SER A 40 -8.493 -10.911 -0.457 1.00 0.00 O ATOM 0 H SER A 40 -7.337 -8.543 0.003 1.00 0.00 H new ATOM 0 HA SER A 40 -5.840 -10.885 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.124 -9.647 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.544 -11.287 -2.245 1.00 0.00 H new ATOM 0 HG SER A 40 -8.882 -10.130 -0.011 1.00 0.00 H new ATOM 611 N LEU A 41 -5.453 -8.510 -2.669 1.00 0.00 N ATOM 612 CA LEU A 41 -4.628 -8.035 -3.768 1.00 0.00 C ATOM 613 C LEU A 41 -3.163 -8.027 -3.364 1.00 0.00 C ATOM 614 O LEU A 41 -2.295 -8.449 -4.128 1.00 0.00 O ATOM 615 CB LEU A 41 -5.128 -6.639 -4.149 1.00 0.00 C ATOM 616 CG LEU A 41 -4.667 -6.070 -5.488 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.530 -5.090 -5.284 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.260 -7.183 -6.449 1.00 0.00 C ATOM 0 H LEU A 41 -6.106 -7.813 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.706 -8.695 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.218 -6.660 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.822 -5.946 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.505 -5.536 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.214 -4.694 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.865 -4.271 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.692 -5.599 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.936 -6.747 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.441 -7.757 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.111 -7.841 -6.625 1.00 0.00 H new ATOM 630 N PHE A 42 -2.889 -7.591 -2.151 1.00 0.00 N ATOM 631 CA PHE A 42 -1.530 -7.608 -1.644 1.00 0.00 C ATOM 632 C PHE A 42 -1.125 -9.012 -1.203 1.00 0.00 C ATOM 633 O PHE A 42 0.058 -9.336 -1.167 1.00 0.00 O ATOM 634 CB PHE A 42 -1.365 -6.578 -0.528 1.00 0.00 C ATOM 635 CG PHE A 42 -1.308 -5.181 -1.076 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.466 -4.533 -1.479 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.091 -4.532 -1.239 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.408 -3.276 -2.034 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.038 -3.265 -1.787 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.195 -2.649 -2.184 1.00 0.00 C ATOM 0 H PHE A 42 -3.583 -7.223 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.852 -7.327 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.196 -6.662 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.454 -6.788 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.422 -5.020 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.822 -5.022 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.315 -2.783 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.911 -2.763 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.153 -1.661 -2.619 1.00 0.00 H new ATOM 650 N SER A 43 -2.108 -9.852 -0.913 1.00 0.00 N ATOM 651 CA SER A 43 -1.858 -11.244 -0.619 1.00 0.00 C ATOM 652 C SER A 43 -1.515 -11.991 -1.906 1.00 0.00 C ATOM 653 O SER A 43 -0.978 -13.099 -1.883 1.00 0.00 O ATOM 654 CB SER A 43 -3.095 -11.848 0.027 1.00 0.00 C ATOM 655 OG SER A 43 -3.492 -11.092 1.151 1.00 0.00 O ATOM 0 H SER A 43 -3.092 -9.585 -0.877 1.00 0.00 H new ATOM 0 HA SER A 43 -1.016 -11.329 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.908 -11.885 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.889 -12.875 0.328 1.00 0.00 H new ATOM 0 HG SER A 43 -3.782 -10.202 0.861 1.00 0.00 H new ATOM 661 N SER A 44 -1.848 -11.365 -3.026 1.00 0.00 N ATOM 662 CA SER A 44 -1.528 -11.899 -4.333 1.00 0.00 C ATOM 663 C SER A 44 -0.033 -11.738 -4.619 1.00 0.00 C ATOM 664 O SER A 44 0.569 -12.546 -5.328 1.00 0.00 O ATOM 665 CB SER A 44 -2.410 -11.215 -5.391 1.00 0.00 C ATOM 666 OG SER A 44 -1.907 -11.391 -6.703 1.00 0.00 O ATOM 0 H SER A 44 -2.346 -10.475 -3.050 1.00 0.00 H new ATOM 0 HA SER A 44 -1.740 -12.968 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.421 -11.618 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.479 -10.150 -5.170 1.00 0.00 H new ATOM 0 HG SER A 44 -2.498 -10.942 -7.343 1.00 0.00 H new ATOM 672 N ILE A 45 0.561 -10.695 -4.050 1.00 0.00 N ATOM 673 CA ILE A 45 2.013 -10.541 -4.045 1.00 0.00 C ATOM 674 C ILE A 45 2.650 -11.595 -3.150 1.00 0.00 C ATOM 675 O ILE A 45 3.587 -12.286 -3.547 1.00 0.00 O ATOM 676 CB ILE A 45 2.418 -9.128 -3.557 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.190 -8.120 -4.672 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.875 -9.082 -3.096 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.251 -8.170 -5.734 1.00 0.00 C ATOM 0 H ILE A 45 0.058 -9.940 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 45 2.370 -10.671 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 45 1.796 -8.876 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.218 -8.305 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.157 -7.117 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.119 -8.074 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.018 -9.782 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.528 -9.357 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.033 -7.428 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.222 -7.956 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.269 -9.163 -6.184 1.00 0.00 H new ATOM 691 N GLY A 46 2.099 -11.737 -1.963 1.00 0.00 N ATOM 692 CA GLY A 46 2.649 -12.641 -0.981 1.00 0.00 C ATOM 693 C GLY A 46 1.861 -12.570 0.296 1.00 0.00 C ATOM 694 O GLY A 46 0.749 -12.047 0.301 1.00 0.00 O ATOM 0 H GLY A 46 1.266 -11.234 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.636 -13.660 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.691 -12.387 -0.787 1.00 0.00 H new ATOM 698 N GLU A 47 2.409 -13.076 1.379 1.00 0.00 N ATOM 699 CA GLU A 47 1.712 -13.034 2.639 1.00 0.00 C ATOM 700 C GLU A 47 1.740 -11.634 3.219 1.00 0.00 C ATOM 701 O GLU A 47 2.704 -10.887 3.066 1.00 0.00 O ATOM 702 CB GLU A 47 2.307 -14.022 3.617 1.00 0.00 C ATOM 703 CG GLU A 47 3.774 -13.849 3.721 1.00 0.00 C ATOM 704 CD GLU A 47 4.556 -14.737 2.780 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.837 -15.896 3.150 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.900 -14.283 1.669 1.00 0.00 O1- ATOM 0 H GLU A 47 3.328 -13.517 1.410 1.00 0.00 H new ATOM 0 HA GLU A 47 0.674 -13.314 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.851 -13.887 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.079 -15.039 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.024 -12.808 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.084 -14.056 4.745 1.00 0.00 H new ATOM 713 N VAL A 48 0.684 -11.316 3.918 1.00 0.00 N ATOM 714 CA VAL A 48 0.451 -9.974 4.418 1.00 0.00 C ATOM 715 C VAL A 48 0.268 -10.016 5.907 1.00 0.00 C ATOM 716 O VAL A 48 -0.604 -10.708 6.433 1.00 0.00 O ATOM 717 CB VAL A 48 -0.778 -9.317 3.743 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.222 -8.070 4.494 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.476 -8.979 2.290 1.00 0.00 C ATOM 0 H VAL A 48 -0.049 -11.982 4.162 1.00 0.00 H new ATOM 0 HA VAL A 48 1.321 -9.365 4.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.595 -10.037 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.087 -7.633 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.490 -8.337 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.408 -7.346 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.352 -8.518 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.364 -8.285 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.223 -9.891 1.749 1.00 0.00 H new ATOM 729 N GLU A 49 1.130 -9.274 6.567 1.00 0.00 N ATOM 730 CA GLU A 49 1.159 -9.210 7.994 1.00 0.00 C ATOM 731 C GLU A 49 -0.155 -8.641 8.518 1.00 0.00 C ATOM 732 O GLU A 49 -0.765 -9.200 9.427 1.00 0.00 O ATOM 733 CB GLU A 49 2.341 -8.375 8.416 1.00 0.00 C ATOM 734 CG GLU A 49 2.690 -8.533 9.873 1.00 0.00 C ATOM 735 CD GLU A 49 1.785 -7.760 10.811 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.263 -8.364 11.771 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.585 -6.546 10.592 1.00 0.00 O1- ATOM 0 H GLU A 49 1.836 -8.694 6.113 1.00 0.00 H new ATOM 0 HA GLU A 49 1.270 -10.208 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.205 -8.648 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.128 -7.326 8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.648 -9.591 10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.719 -8.208 10.027 1.00 0.00 H new ATOM 744 N SER A 50 -0.591 -7.537 7.916 1.00 0.00 N ATOM 745 CA SER A 50 -1.876 -6.933 8.258 1.00 0.00 C ATOM 746 C SER A 50 -2.247 -5.854 7.247 1.00 0.00 C ATOM 747 O SER A 50 -1.440 -4.978 6.949 1.00 0.00 O ATOM 748 CB SER A 50 -1.824 -6.336 9.672 1.00 0.00 C ATOM 749 OG SER A 50 -0.727 -5.445 9.817 1.00 0.00 O ATOM 0 H SER A 50 -0.073 -7.043 7.189 1.00 0.00 H new ATOM 0 HA SER A 50 -2.639 -7.711 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.754 -5.807 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.743 -7.139 10.405 1.00 0.00 H new ATOM 0 HG SER A 50 0.038 -5.927 10.194 1.00 0.00 H new ATOM 755 N ALA A 51 -3.459 -5.912 6.708 1.00 0.00 N ATOM 756 CA ALA A 51 -3.902 -4.898 5.760 1.00 0.00 C ATOM 757 C ALA A 51 -5.111 -4.144 6.280 1.00 0.00 C ATOM 758 O ALA A 51 -6.158 -4.730 6.561 1.00 0.00 O ATOM 759 CB ALA A 51 -4.186 -5.495 4.393 1.00 0.00 C ATOM 0 H ALA A 51 -4.144 -6.640 6.908 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.084 -4.186 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.514 -4.708 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.279 -5.957 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.969 -6.248 4.481 1.00 0.00 H new ATOM 765 N LYS A 52 -4.946 -2.842 6.408 1.00 0.00 N ATOM 766 CA LYS A 52 -5.962 -1.972 6.953 1.00 0.00 C ATOM 767 C LYS A 52 -6.546 -1.099 5.850 1.00 0.00 C ATOM 768 O LYS A 52 -5.818 -0.640 4.970 1.00 0.00 O ATOM 769 CB LYS A 52 -5.318 -1.097 8.020 1.00 0.00 C ATOM 770 CG LYS A 52 -6.272 -0.180 8.752 1.00 0.00 C ATOM 771 CD LYS A 52 -5.507 0.962 9.381 1.00 0.00 C ATOM 772 CE LYS A 52 -4.557 0.484 10.466 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.275 -0.107 11.625 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.092 -2.356 6.133 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.768 -2.564 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.825 -1.741 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.541 -0.491 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.019 0.209 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.808 -0.737 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.942 1.487 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.210 1.679 9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.875 -0.257 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.948 1.321 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.609 -0.247 12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.036 0.535 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.683 -1.023 11.350 1.00 0.00 H new ATOM 787 N LEU A 53 -7.843 -0.875 5.899 1.00 0.00 N ATOM 788 CA LEU A 53 -8.504 0.009 4.957 1.00 0.00 C ATOM 789 C LEU A 53 -9.099 1.180 5.711 1.00 0.00 C ATOM 790 O LEU A 53 -9.740 1.003 6.750 1.00 0.00 O ATOM 791 CB LEU A 53 -9.599 -0.738 4.203 1.00 0.00 C ATOM 792 CG LEU A 53 -10.421 0.102 3.234 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.925 -0.086 1.815 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.888 -0.265 3.337 1.00 0.00 C ATOM 0 H LEU A 53 -8.466 -1.297 6.587 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.775 0.371 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.140 -1.556 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.275 -1.187 4.931 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.306 1.153 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.524 0.522 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.881 0.221 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.013 -1.136 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.465 0.342 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.017 -1.319 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.238 -0.082 4.353 1.00 0.00 H new ATOM 806 N ILE A 54 -8.884 2.372 5.196 1.00 0.00 N ATOM 807 CA ILE A 54 -9.319 3.575 5.879 1.00 0.00 C ATOM 808 C ILE A 54 -10.639 4.058 5.307 1.00 0.00 C ATOM 809 O ILE A 54 -10.739 4.321 4.109 1.00 0.00 O ATOM 810 CB ILE A 54 -8.278 4.702 5.744 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.883 4.214 6.159 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.693 5.916 6.564 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.824 3.577 7.533 1.00 0.00 C ATOM 0 H ILE A 54 -8.411 2.535 4.307 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.439 3.327 6.934 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.232 4.997 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.530 3.492 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.194 5.058 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.945 6.701 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.657 6.282 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.775 5.635 7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.802 3.262 7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.143 4.300 8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.484 2.710 7.561 1.00 0.00 H new ATOM 934 N SER A 62 -14.603 4.101 1.924 1.00 0.00 N ATOM 935 CA SER A 62 -13.154 4.171 1.946 1.00 0.00 C ATOM 936 C SER A 62 -12.700 5.580 1.590 1.00 0.00 C ATOM 937 O SER A 62 -13.246 6.208 0.684 1.00 0.00 O ATOM 938 CB SER A 62 -12.552 3.155 0.970 1.00 0.00 C ATOM 939 OG SER A 62 -11.136 3.241 0.936 1.00 0.00 O ATOM 0 HA SER A 62 -12.805 3.929 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.849 2.148 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.952 3.328 -0.029 1.00 0.00 H new ATOM 0 HG SER A 62 -10.783 2.579 0.306 1.00 0.00 H new ATOM 945 N LEU A 63 -11.712 6.076 2.316 1.00 0.00 N ATOM 946 CA LEU A 63 -11.229 7.429 2.114 1.00 0.00 C ATOM 947 C LEU A 63 -10.114 7.456 1.083 1.00 0.00 C ATOM 948 O LEU A 63 -9.469 8.482 0.873 1.00 0.00 O ATOM 949 CB LEU A 63 -10.767 8.038 3.439 1.00 0.00 C ATOM 950 CG LEU A 63 -11.875 8.199 4.484 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.373 8.954 5.701 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.081 8.900 3.880 1.00 0.00 C ATOM 0 H LEU A 63 -11.229 5.560 3.051 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.052 8.033 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.979 7.412 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.327 9.015 3.241 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.179 7.204 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.181 9.053 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.545 8.407 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.032 9.944 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.858 9.005 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.787 9.887 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.464 8.311 3.047 1.00 0.00 H new ATOM 964 N GLY A 64 -9.892 6.316 0.444 1.00 0.00 N ATOM 965 CA GLY A 64 -8.994 6.261 -0.686 1.00 0.00 C ATOM 966 C GLY A 64 -7.583 5.856 -0.330 1.00 0.00 C ATOM 967 O GLY A 64 -6.664 6.091 -1.107 1.00 0.00 O ATOM 0 H GLY A 64 -10.322 5.425 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.390 5.556 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.970 7.239 -1.166 1.00 0.00 H new ATOM 971 N TYR A 65 -7.394 5.246 0.829 1.00 0.00 N ATOM 972 CA TYR A 65 -6.074 4.759 1.200 1.00 0.00 C ATOM 973 C TYR A 65 -6.154 3.727 2.317 1.00 0.00 C ATOM 974 O TYR A 65 -7.186 3.584 2.974 1.00 0.00 O ATOM 975 CB TYR A 65 -5.142 5.918 1.593 1.00 0.00 C ATOM 976 CG TYR A 65 -5.463 6.601 2.892 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.652 6.409 3.997 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.549 7.453 3.013 1.00 0.00 C ATOM 979 CE1 TYR A 65 -4.911 7.043 5.187 1.00 0.00 C ATOM 980 CE2 TYR A 65 -6.820 8.091 4.203 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.997 7.885 5.290 1.00 0.00 C ATOM 982 OH TYR A 65 -6.257 8.525 6.482 1.00 0.00 O ATOM 0 H TYR A 65 -8.125 5.078 1.520 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.651 4.269 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.122 5.537 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.163 6.663 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.801 5.749 3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.192 7.619 2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.266 6.883 6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.672 8.749 4.284 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.057 9.082 6.386 1.00 0.00 H new ATOM 992 N GLY A 66 -5.064 2.998 2.499 1.00 0.00 N ATOM 993 CA GLY A 66 -4.988 1.981 3.525 1.00 0.00 C ATOM 994 C GLY A 66 -3.553 1.599 3.821 1.00 0.00 C ATOM 995 O GLY A 66 -2.627 2.182 3.252 1.00 0.00 O ATOM 0 H GLY A 66 -4.215 3.097 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.464 2.345 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.542 1.098 3.206 1.00 0.00 H new ATOM 999 N PHE A 67 -3.364 0.617 4.693 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.030 0.241 5.146 1.00 0.00 C ATOM 1001 C PHE A 67 -1.898 -1.273 5.232 1.00 0.00 C ATOM 1002 O PHE A 67 -2.485 -1.904 6.109 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.744 0.847 6.526 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.809 2.348 6.565 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.687 3.107 6.294 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -2.994 2.995 6.873 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.742 4.486 6.326 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.056 4.373 6.908 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.928 5.119 6.635 1.00 0.00 C ATOM 0 H PHE A 67 -4.119 0.065 5.102 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.310 0.624 4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.460 0.445 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.754 0.529 6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.244 2.616 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.879 2.415 7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.142 5.068 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.986 4.867 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.974 6.198 6.663 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.133 -1.853 4.326 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.866 -3.275 4.365 1.00 0.00 C ATOM 1021 C VAL A 68 0.594 -3.542 4.692 1.00 0.00 C ATOM 1022 O VAL A 68 1.500 -3.287 3.904 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.318 -3.992 3.063 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.500 -3.000 1.944 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.370 -5.111 2.636 1.00 0.00 C ATOM 0 H VAL A 68 -0.686 -1.359 3.554 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.466 -3.702 5.169 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.276 -4.461 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.817 -3.523 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.259 -2.270 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.556 -2.488 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.741 -5.572 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.623 -4.698 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.315 -5.862 3.424 1.00 0.00 H new ATOM 1035 N ASN A 69 0.801 -3.997 5.909 1.00 0.00 N ATOM 1036 CA ASN A 69 2.102 -4.417 6.372 1.00 0.00 C ATOM 1037 C ASN A 69 2.385 -5.801 5.832 1.00 0.00 C ATOM 1038 O ASN A 69 1.554 -6.695 5.964 1.00 0.00 O ATOM 1039 CB ASN A 69 2.120 -4.453 7.897 1.00 0.00 C ATOM 1040 CG ASN A 69 3.521 -4.540 8.471 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.472 -3.981 7.934 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.658 -5.257 9.567 1.00 0.00 N ATOM 0 H ASN A 69 0.064 -4.086 6.609 1.00 0.00 H new ATOM 0 HA ASN A 69 2.861 -3.717 6.024 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.631 -3.558 8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.538 -5.308 8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.577 -5.361 9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.845 -5.708 9.986 1.00 0.00 H new ATOM 1049 N TYR A 70 3.518 -5.973 5.195 1.00 0.00 N ATOM 1050 CA TYR A 70 3.927 -7.281 4.743 1.00 0.00 C ATOM 1051 C TYR A 70 4.770 -7.967 5.800 1.00 0.00 C ATOM 1052 O TYR A 70 5.217 -7.338 6.757 1.00 0.00 O ATOM 1053 CB TYR A 70 4.732 -7.179 3.447 1.00 0.00 C ATOM 1054 CG TYR A 70 3.906 -7.165 2.187 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.331 -8.334 1.715 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.716 -6.000 1.458 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.588 -8.347 0.557 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.969 -6.005 0.298 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.408 -7.181 -0.147 1.00 0.00 C ATOM 1060 OH TYR A 70 1.667 -7.194 -1.301 1.00 0.00 O ATOM 0 H TYR A 70 4.174 -5.223 4.978 1.00 0.00 H new ATOM 0 HA TYR A 70 3.027 -7.868 4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.333 -6.270 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.426 -8.018 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.469 -9.252 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.159 -5.077 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.149 -9.268 0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.825 -5.091 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 70 1.052 -7.957 -1.286 1.00 0.00 H new ATOM 1070 N VAL A 71 4.973 -9.264 5.623 1.00 0.00 N ATOM 1071 CA VAL A 71 5.856 -10.016 6.498 1.00 0.00 C ATOM 1072 C VAL A 71 7.300 -9.778 6.062 1.00 0.00 C ATOM 1073 O VAL A 71 8.253 -10.021 6.804 1.00 0.00 O ATOM 1074 CB VAL A 71 5.555 -11.530 6.451 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.063 -11.783 6.634 1.00 0.00 C ATOM 1076 CG2 VAL A 71 6.062 -12.145 5.157 1.00 0.00 C ATOM 0 H VAL A 71 4.539 -9.815 4.883 1.00 0.00 H new ATOM 0 HA VAL A 71 5.697 -9.674 7.521 1.00 0.00 H new ATOM 0 HB VAL A 71 6.084 -12.011 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.869 -12.855 6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.743 -11.388 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.509 -11.287 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.838 -13.212 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.573 -11.665 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.140 -12.000 5.083 1.00 0.00 H new ATOM 1086 N THR A 72 7.427 -9.295 4.834 1.00 0.00 N ATOM 1087 CA THR A 72 8.706 -9.069 4.193 1.00 0.00 C ATOM 1088 C THR A 72 8.776 -7.671 3.610 1.00 0.00 C ATOM 1089 O THR A 72 7.770 -7.112 3.179 1.00 0.00 O ATOM 1090 CB THR A 72 8.891 -10.043 3.027 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.626 -10.261 2.400 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.493 -11.364 3.462 1.00 0.00 C ATOM 0 H THR A 72 6.629 -9.047 4.249 1.00 0.00 H new ATOM 0 HA THR A 72 9.477 -9.208 4.951 1.00 0.00 H new ATOM 0 HB THR A 72 9.593 -9.596 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.728 -10.913 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.602 -12.017 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.471 -11.188 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.839 -11.838 4.194 1.00 0.00 H new ATOM 1100 N ALA A 73 9.968 -7.113 3.583 1.00 0.00 N ATOM 1101 CA ALA A 73 10.209 -5.899 2.833 1.00 0.00 C ATOM 1102 C ALA A 73 10.434 -6.277 1.377 1.00 0.00 C ATOM 1103 O ALA A 73 10.311 -5.457 0.466 1.00 0.00 O ATOM 1104 CB ALA A 73 11.400 -5.148 3.401 1.00 0.00 C ATOM 0 H ALA A 73 10.785 -7.481 4.071 1.00 0.00 H new ATOM 0 HA ALA A 73 9.349 -5.233 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.565 -4.238 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.203 -4.887 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.287 -5.779 3.347 1.00 0.00 H new ATOM 1110 N LYS A 74 10.753 -7.551 1.189 1.00 0.00 N ATOM 1111 CA LYS A 74 10.916 -8.153 -0.123 1.00 0.00 C ATOM 1112 C LYS A 74 9.608 -8.104 -0.918 1.00 0.00 C ATOM 1113 O LYS A 74 9.583 -7.640 -2.057 1.00 0.00 O ATOM 1114 CB LYS A 74 11.419 -9.588 0.073 1.00 0.00 C ATOM 1115 CG LYS A 74 11.328 -10.460 -1.157 1.00 0.00 C ATOM 1116 CD LYS A 74 10.247 -11.507 -0.989 1.00 0.00 C ATOM 1117 CE LYS A 74 9.709 -11.941 -2.334 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.710 -12.710 -3.117 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.908 -8.203 1.958 1.00 0.00 H new ATOM 0 HA LYS A 74 11.646 -7.593 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.458 -9.553 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.846 -10.053 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.113 -9.845 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.287 -10.945 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.649 -12.369 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.437 -11.106 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.818 -12.552 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.403 -11.062 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.298 -12.987 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.551 -12.120 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.983 -13.563 -2.588 1.00 0.00 H new ATOM 1132 N ASP A 75 8.521 -8.563 -0.310 1.00 0.00 N ATOM 1133 CA ASP A 75 7.213 -8.540 -0.963 1.00 0.00 C ATOM 1134 C ASP A 75 6.603 -7.143 -0.908 1.00 0.00 C ATOM 1135 O ASP A 75 5.679 -6.836 -1.654 1.00 0.00 O ATOM 1136 CB ASP A 75 6.273 -9.576 -0.339 1.00 0.00 C ATOM 1137 CG ASP A 75 6.720 -10.999 -0.622 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.385 -11.538 -1.698 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.425 -11.583 0.225 1.00 0.00 O1- ATOM 0 H ASP A 75 8.516 -8.955 0.632 1.00 0.00 H new ATOM 0 HA ASP A 75 7.353 -8.804 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.226 -9.419 0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.265 -9.430 -0.727 1.00 0.00 H new ATOM 1144 N ALA A 76 7.129 -6.296 -0.032 1.00 0.00 N ATOM 1145 CA ALA A 76 6.720 -4.892 0.013 1.00 0.00 C ATOM 1146 C ALA A 76 7.091 -4.200 -1.290 1.00 0.00 C ATOM 1147 O ALA A 76 6.232 -3.664 -1.985 1.00 0.00 O ATOM 1148 CB ALA A 76 7.366 -4.180 1.195 1.00 0.00 C ATOM 0 H ALA A 76 7.837 -6.552 0.656 1.00 0.00 H new ATOM 0 HA ALA A 76 5.638 -4.849 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.048 -3.137 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.062 -4.665 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.451 -4.228 1.100 1.00 0.00 H new ATOM 1154 N GLU A 77 8.373 -4.235 -1.627 1.00 0.00 N ATOM 1155 CA GLU A 77 8.842 -3.699 -2.895 1.00 0.00 C ATOM 1156 C GLU A 77 8.180 -4.441 -4.047 1.00 0.00 C ATOM 1157 O GLU A 77 7.880 -3.854 -5.086 1.00 0.00 O ATOM 1158 CB GLU A 77 10.367 -3.815 -2.977 1.00 0.00 C ATOM 1159 CG GLU A 77 10.924 -3.504 -4.354 1.00 0.00 C ATOM 1160 CD GLU A 77 12.436 -3.491 -4.384 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.050 -4.563 -4.207 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.020 -2.409 -4.596 1.00 0.00 O1- ATOM 0 H GLU A 77 9.107 -4.630 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 77 8.573 -2.645 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.815 -3.137 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.662 -4.825 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.557 -4.244 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.550 -2.534 -4.682 1.00 0.00 H new ATOM 1169 N ARG A 78 7.914 -5.723 -3.832 1.00 0.00 N ATOM 1170 CA ARG A 78 7.273 -6.557 -4.824 1.00 0.00 C ATOM 1171 C ARG A 78 5.885 -6.006 -5.124 1.00 0.00 C ATOM 1172 O ARG A 78 5.452 -5.969 -6.271 1.00 0.00 O ATOM 1173 CB ARG A 78 7.194 -7.984 -4.289 1.00 0.00 C ATOM 1174 CG ARG A 78 6.808 -9.043 -5.303 1.00 0.00 C ATOM 1175 CD ARG A 78 6.796 -10.416 -4.653 1.00 0.00 C ATOM 1176 NE ARG A 78 6.444 -11.484 -5.584 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.307 -12.757 -5.223 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.375 -13.099 -3.938 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.066 -13.686 -6.140 1.00 0.00 N ATOM 0 H ARG A 78 8.139 -6.208 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 78 7.847 -6.561 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.163 -8.248 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.472 -8.008 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.824 -8.820 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.512 -9.033 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.779 -10.620 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.087 -10.414 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 78 6.295 -11.241 -6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.532 -12.384 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.270 -14.076 -3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.986 -13.424 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.961 -14.662 -5.862 1.00 0.00 H new ATOM 1193 N ALA A 79 5.204 -5.540 -4.083 1.00 0.00 N ATOM 1194 CA ALA A 79 3.891 -4.946 -4.243 1.00 0.00 C ATOM 1195 C ALA A 79 3.994 -3.578 -4.895 1.00 0.00 C ATOM 1196 O ALA A 79 3.144 -3.202 -5.690 1.00 0.00 O ATOM 1197 CB ALA A 79 3.156 -4.853 -2.908 1.00 0.00 C ATOM 0 H ALA A 79 5.543 -5.564 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 79 3.311 -5.597 -4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.175 -4.403 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.035 -5.852 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.732 -4.237 -2.217 1.00 0.00 H new ATOM 1203 N ILE A 80 5.034 -2.832 -4.573 1.00 0.00 N ATOM 1204 CA ILE A 80 5.201 -1.510 -5.156 1.00 0.00 C ATOM 1205 C ILE A 80 5.523 -1.567 -6.641 1.00 0.00 C ATOM 1206 O ILE A 80 5.094 -0.711 -7.406 1.00 0.00 O ATOM 1207 CB ILE A 80 6.286 -0.712 -4.445 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.039 -0.723 -2.944 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.302 0.714 -4.961 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.105 -0.019 -2.162 1.00 0.00 C ATOM 0 H ILE A 80 5.767 -3.111 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 80 4.242 -1.009 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 80 7.254 -1.170 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.077 -0.253 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.969 -1.756 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.081 1.278 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.503 0.711 -6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.334 1.179 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.867 -0.064 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.066 -0.502 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.159 1.023 -2.477 1.00 0.00 H new ATOM 1222 N ASN A 81 6.269 -2.556 -7.068 1.00 0.00 N ATOM 1223 CA ASN A 81 6.608 -2.630 -8.473 1.00 0.00 C ATOM 1224 C ASN A 81 5.531 -3.356 -9.255 1.00 0.00 C ATOM 1225 O ASN A 81 5.315 -3.091 -10.435 1.00 0.00 O ATOM 1226 CB ASN A 81 7.977 -3.273 -8.687 1.00 0.00 C ATOM 1227 CG ASN A 81 8.135 -4.664 -8.094 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.296 -5.548 -8.271 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.226 -4.859 -7.371 1.00 0.00 N ATOM 0 H ASN A 81 6.646 -3.303 -6.484 1.00 0.00 H new ATOM 0 HA ASN A 81 6.666 -1.610 -8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.173 -3.327 -9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.738 -2.623 -8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.395 -5.767 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.898 -4.102 -7.247 1.00 0.00 H new ATOM 1236 N THR A 82 4.853 -4.265 -8.590 1.00 0.00 N ATOM 1237 CA THR A 82 3.826 -5.056 -9.226 1.00 0.00 C ATOM 1238 C THR A 82 2.434 -4.427 -9.089 1.00 0.00 C ATOM 1239 O THR A 82 1.757 -4.166 -10.086 1.00 0.00 O ATOM 1240 CB THR A 82 3.825 -6.478 -8.646 1.00 0.00 C ATOM 1241 OG1 THR A 82 4.990 -7.184 -9.088 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.562 -7.251 -9.011 1.00 0.00 C ATOM 0 H THR A 82 4.997 -4.475 -7.602 1.00 0.00 H new ATOM 0 HA THR A 82 4.057 -5.094 -10.291 1.00 0.00 H new ATOM 0 HB THR A 82 3.841 -6.391 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.792 -6.678 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.609 -8.250 -8.578 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.689 -6.727 -8.621 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.484 -7.329 -10.095 1.00 0.00 H new ATOM 1250 N LEU A 83 2.022 -4.174 -7.853 1.00 0.00 N ATOM 1251 CA LEU A 83 0.650 -3.771 -7.555 1.00 0.00 C ATOM 1252 C LEU A 83 0.428 -2.270 -7.664 1.00 0.00 C ATOM 1253 O LEU A 83 -0.704 -1.828 -7.833 1.00 0.00 O ATOM 1254 CB LEU A 83 0.269 -4.220 -6.152 1.00 0.00 C ATOM 1255 CG LEU A 83 0.157 -5.732 -5.952 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.340 -6.042 -4.553 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.756 -6.359 -6.987 1.00 0.00 C ATOM 0 H LEU A 83 2.624 -4.241 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 83 0.021 -4.253 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.009 -3.832 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.686 -3.765 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 83 1.151 -6.162 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.415 -7.122 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.358 -5.637 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.321 -5.590 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.814 -7.434 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.752 -5.924 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.359 -6.170 -7.984 1.00 0.00 H new ATOM 1269 N ASN A 84 1.477 -1.483 -7.521 1.00 0.00 N ATOM 1270 CA ASN A 84 1.334 -0.041 -7.638 1.00 0.00 C ATOM 1271 C ASN A 84 0.885 0.317 -9.050 1.00 0.00 C ATOM 1272 O ASN A 84 1.623 0.134 -10.019 1.00 0.00 O ATOM 1273 CB ASN A 84 2.649 0.639 -7.278 1.00 0.00 C ATOM 1274 CG ASN A 84 2.567 2.148 -7.197 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.780 2.792 -7.888 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.383 2.716 -6.334 1.00 0.00 N ATOM 0 H ASN A 84 2.424 -1.809 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 84 0.573 0.313 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.993 0.253 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.400 0.367 -8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.378 3.729 -6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.020 2.143 -5.781 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.342 0.806 -9.151 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.952 1.045 -10.439 1.00 0.00 C ATOM 1285 C GLY A 85 -1.865 -0.096 -10.839 1.00 0.00 C ATOM 1286 O GLY A 85 -2.094 -0.332 -12.022 1.00 0.00 O ATOM 0 H GLY A 85 -0.931 1.043 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.521 1.974 -10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.175 1.173 -11.193 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.383 -0.807 -9.848 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.304 -1.908 -10.089 1.00 0.00 C ATOM 1292 C LEU A 86 -4.710 -1.356 -10.274 1.00 0.00 C ATOM 1293 O LEU A 86 -5.145 -0.494 -9.510 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.290 -2.882 -8.898 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.416 -4.377 -9.226 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.666 -4.675 -10.039 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -2.171 -4.870 -9.940 1.00 0.00 C ATOM 0 H LEU A 86 -2.179 -0.639 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.994 -2.442 -10.987 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.362 -2.732 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.106 -2.611 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.512 -4.916 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.717 -5.743 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.548 -4.374 -9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.630 -4.122 -10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.277 -5.931 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.039 -4.314 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.301 -4.720 -9.300 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.409 -1.835 -11.292 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.800 -1.471 -11.477 1.00 0.00 C ATOM 1311 C ARG A 87 -7.682 -2.277 -10.532 1.00 0.00 C ATOM 1312 O ARG A 87 -8.190 -3.339 -10.886 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.230 -1.700 -12.928 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.650 -0.691 -13.903 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.236 0.696 -13.683 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.771 1.654 -14.683 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.402 2.791 -14.978 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.530 3.114 -14.354 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.905 3.601 -15.903 1.00 0.00 N ATOM 0 H ARG A 87 -5.037 -2.472 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.914 -0.411 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.928 -2.702 -13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.318 -1.663 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.567 -0.652 -13.787 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.850 -1.014 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.324 0.639 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.965 1.050 -12.689 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.910 1.440 -15.187 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.917 2.491 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.008 3.985 -14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.042 3.354 -16.387 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.386 4.471 -16.130 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.864 -1.755 -9.334 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.704 -2.376 -8.334 1.00 0.00 C ATOM 1335 C LEU A 88 -10.114 -1.847 -8.453 1.00 0.00 C ATOM 1336 O LEU A 88 -10.365 -0.679 -8.176 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.168 -2.090 -6.938 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.480 -3.269 -6.262 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.882 -2.840 -4.940 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.476 -4.393 -6.048 1.00 0.00 C ATOM 0 H LEU A 88 -7.430 -0.884 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.704 -3.454 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.462 -1.262 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.994 -1.760 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.676 -3.626 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.394 -3.692 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.150 -2.051 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.671 -2.467 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.978 -5.233 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.291 -4.041 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.876 -4.713 -7.010 1.00 0.00 H new ATOM 1352 N GLN A 89 -11.029 -2.701 -8.891 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.419 -2.308 -9.077 1.00 0.00 C ATOM 1354 C GLN A 89 -12.518 -1.105 -10.015 1.00 0.00 C ATOM 1355 O GLN A 89 -13.386 -0.244 -9.849 1.00 0.00 O ATOM 1356 CB GLN A 89 -13.056 -1.983 -7.736 1.00 0.00 C ATOM 1357 CG GLN A 89 -13.081 -3.158 -6.774 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.872 -2.869 -5.517 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.869 -1.618 -5.094 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.473 -3.764 -4.924 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.832 -3.674 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.956 -3.142 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.512 -1.158 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.077 -1.638 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.510 -4.025 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.059 -3.421 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.451 -4.718 -5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.994 -3.552 -4.073 1.00 0.00 H new ATOM 1369 N SER A 90 -11.573 -1.060 -10.957 1.00 0.00 N ATOM 1370 CA SER A 90 -11.482 -0.030 -12.005 1.00 0.00 C ATOM 1371 C SER A 90 -10.705 1.196 -11.520 1.00 0.00 C ATOM 1372 O SER A 90 -10.312 2.055 -12.311 1.00 0.00 O ATOM 1373 CB SER A 90 -12.867 0.371 -12.511 1.00 0.00 C ATOM 1374 OG SER A 90 -12.817 0.817 -13.857 1.00 0.00 O ATOM 0 H SER A 90 -10.829 -1.755 -11.017 1.00 0.00 H new ATOM 0 HA SER A 90 -10.931 -0.465 -12.839 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.545 -0.479 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.272 1.161 -11.879 1.00 0.00 H new ATOM 0 HG SER A 90 -13.718 1.065 -14.153 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.455 1.242 -10.228 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.702 2.333 -9.615 1.00 0.00 C ATOM 1382 C LYS A 91 -8.219 1.973 -9.572 1.00 0.00 C ATOM 1383 O LYS A 91 -7.872 0.847 -9.240 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.209 2.567 -8.191 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.602 3.994 -7.883 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.399 4.909 -7.922 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.417 5.876 -6.757 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.694 7.139 -7.064 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.765 0.529 -9.568 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.838 3.240 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.071 1.922 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.434 2.259 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.345 4.334 -8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.068 4.042 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.485 4.316 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.389 5.464 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.449 6.105 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.963 5.402 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.732 7.770 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.702 6.925 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.142 7.606 -7.878 1.00 0.00 H new ATOM 1402 N THR A 92 -7.342 2.909 -9.901 1.00 0.00 N ATOM 1403 CA THR A 92 -5.918 2.605 -9.903 1.00 0.00 C ATOM 1404 C THR A 92 -5.274 3.043 -8.599 1.00 0.00 C ATOM 1405 O THR A 92 -5.291 4.219 -8.252 1.00 0.00 O ATOM 1406 CB THR A 92 -5.168 3.269 -11.064 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.073 3.606 -12.124 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.088 2.342 -11.605 1.00 0.00 C ATOM 0 H THR A 92 -7.582 3.865 -10.165 1.00 0.00 H new ATOM 0 HA THR A 92 -5.843 1.524 -10.022 1.00 0.00 H new ATOM 0 HB THR A 92 -4.704 4.179 -10.683 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.577 4.030 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.567 2.831 -12.428 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.377 2.110 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.546 1.420 -11.963 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.698 2.084 -7.902 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.116 2.308 -6.593 1.00 0.00 C ATOM 1418 C ILE A 93 -2.635 2.639 -6.692 1.00 0.00 C ATOM 1419 O ILE A 93 -2.022 2.464 -7.745 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.281 1.064 -5.725 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.433 -0.071 -6.303 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.751 0.681 -5.667 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.538 -1.362 -5.542 1.00 0.00 C ATOM 0 H ILE A 93 -4.620 1.121 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.638 3.153 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.940 1.264 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.733 -0.245 -7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.389 0.243 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.871 -0.208 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.324 1.503 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.113 0.473 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.908 -2.115 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.209 -1.207 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.574 -1.702 -5.544 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.063 3.125 -5.601 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.643 3.409 -5.560 1.00 0.00 C ATOM 1437 C LYS A 94 -0.068 2.988 -4.218 1.00 0.00 C ATOM 1438 O LYS A 94 -0.378 3.579 -3.184 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.378 4.887 -5.817 1.00 0.00 C ATOM 1440 CG LYS A 94 1.095 5.223 -5.946 1.00 0.00 C ATOM 1441 CD LYS A 94 1.305 6.668 -6.389 1.00 0.00 C ATOM 1442 CE LYS A 94 0.627 6.952 -7.726 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.893 8.334 -8.216 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.562 3.330 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.152 2.838 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.892 5.187 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.806 5.472 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.591 5.059 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.561 4.550 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.909 7.343 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.373 6.872 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.976 6.233 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.448 6.807 -7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.411 8.478 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.537 9.023 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.917 8.467 -8.341 1.00 0.00 H new ATOM 1457 N VAL A 95 0.757 1.956 -4.245 1.00 0.00 N ATOM 1458 CA VAL A 95 1.306 1.385 -3.030 1.00 0.00 C ATOM 1459 C VAL A 95 2.732 1.895 -2.796 1.00 0.00 C ATOM 1460 O VAL A 95 3.510 2.048 -3.733 1.00 0.00 O ATOM 1461 CB VAL A 95 1.256 -0.163 -3.064 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.356 -0.657 -4.189 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.635 -0.758 -3.170 1.00 0.00 C ATOM 0 H VAL A 95 1.062 1.494 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 95 0.689 1.709 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 95 0.827 -0.499 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.339 -1.747 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.655 -0.279 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.739 -0.299 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.561 -1.845 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.113 -0.409 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.231 -0.451 -2.310 1.00 0.00 H new ATOM 1473 N SER A 96 3.054 2.156 -1.543 1.00 0.00 N ATOM 1474 CA SER A 96 4.327 2.743 -1.163 1.00 0.00 C ATOM 1475 C SER A 96 4.668 2.300 0.247 1.00 0.00 C ATOM 1476 O SER A 96 3.918 1.555 0.863 1.00 0.00 O ATOM 1477 CB SER A 96 4.234 4.274 -1.201 1.00 0.00 C ATOM 1478 OG SER A 96 5.516 4.881 -1.125 1.00 0.00 O ATOM 0 H SER A 96 2.436 1.966 -0.754 1.00 0.00 H new ATOM 0 HA SER A 96 5.099 2.416 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.738 4.586 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.617 4.622 -0.372 1.00 0.00 H new ATOM 0 HG SER A 96 5.419 5.856 -1.154 1.00 0.00 H new ATOM 1484 N TYR A 97 5.781 2.771 0.757 1.00 0.00 N ATOM 1485 CA TYR A 97 6.158 2.503 2.138 1.00 0.00 C ATOM 1486 C TYR A 97 5.410 3.457 3.046 1.00 0.00 C ATOM 1487 O TYR A 97 5.582 4.670 2.954 1.00 0.00 O ATOM 1488 CB TYR A 97 7.659 2.691 2.345 1.00 0.00 C ATOM 1489 CG TYR A 97 8.521 2.041 1.291 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.337 2.816 0.478 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.535 0.665 1.121 1.00 0.00 C ATOM 1492 CE1 TYR A 97 10.148 2.239 -0.476 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.340 0.076 0.165 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.147 0.869 -0.632 1.00 0.00 C ATOM 1495 OH TYR A 97 10.958 0.289 -1.580 1.00 0.00 O ATOM 0 H TYR A 97 6.448 3.344 0.240 1.00 0.00 H new ATOM 0 HA TYR A 97 5.904 1.469 2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.879 3.758 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.932 2.287 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.336 3.890 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.908 0.045 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.780 2.856 -1.097 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.339 -0.997 0.040 1.00 0.00 H new ATOM 0 HH TYR A 97 10.840 -0.684 -1.561 1.00 0.00 H new ATOM 1505 N ALA A 98 4.567 2.918 3.907 1.00 0.00 N ATOM 1506 CA ALA A 98 3.827 3.749 4.833 1.00 0.00 C ATOM 1507 C ALA A 98 4.773 4.288 5.888 1.00 0.00 C ATOM 1508 O ALA A 98 5.232 3.537 6.750 1.00 0.00 O ATOM 1509 CB ALA A 98 2.679 2.976 5.466 1.00 0.00 C ATOM 0 H ALA A 98 4.380 1.918 3.983 1.00 0.00 H new ATOM 0 HA ALA A 98 3.388 4.586 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.141 3.625 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.999 2.632 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.074 2.117 6.008 1.00 0.00 H new