USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 74 ASN : amide:sc= 0.451 K(o=0.45,f=-3.7!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.182! C(o=-0.008!,f=-4.2!) USER MOD Set 2.2: A 77 CYS SG : rot 62:sc= 0.174 USER MOD Set 3.1: A 55 LYS NZ :NH3+ -164:sc= 1.73 (180deg=0.836) USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0.605 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.181 (180deg=-0.954) USER MOD Single : A 42 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.6!) USER MOD Single : A 49 ASN : amide:sc= 1.19 K(o=1.2,f=-0.51) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 51 MET CE :methyl -138:sc= -0.0675 (180deg=-1.38) USER MOD Single : A 54 SER OG : rot -43:sc= 1.22 USER MOD Single : A 59 CYS SG : rot 44:sc= -0.765 USER MOD Single : A 65 TYR OH : rot 46:sc= 1.17 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 2.37 (180deg=2.15) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.608 F(o=-4.4!,f=-0.61) USER MOD Single : A 98 HIS : no HE2:sc= 1.29 K(o=1.3,f=-5.5!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.149 F(o=-2!,f=-0.15) USER MOD Single : A 101 THR OG1 : rot -120:sc= 0.0324 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.012) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -130:sc= -0.0127 USER MOD Single : A 118 TYR OH : rot 164:sc= 0.524 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.766 4.263 -2.280 1.00 0.00 N ATOM 439 CA ASP A 32 11.807 4.376 -1.190 1.00 0.00 C ATOM 440 C ASP A 32 10.397 4.431 -1.776 1.00 0.00 C ATOM 441 O ASP A 32 10.039 5.384 -2.472 1.00 0.00 O ATOM 442 CB ASP A 32 12.089 5.623 -0.345 1.00 0.00 C ATOM 443 CG ASP A 32 11.444 5.561 1.029 1.00 0.00 C ATOM 444 OD1 ASP A 32 10.213 5.714 1.124 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.175 5.368 2.026 1.00 0.00 O ATOM 0 HA ASP A 32 11.897 3.508 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.166 5.743 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.725 6.504 -0.873 1.00 0.00 H new ATOM 450 N MET A 33 9.611 3.397 -1.497 1.00 0.00 N ATOM 451 CA MET A 33 8.300 3.205 -2.122 1.00 0.00 C ATOM 452 C MET A 33 7.313 4.315 -1.753 1.00 0.00 C ATOM 453 O MET A 33 6.211 4.377 -2.290 1.00 0.00 O ATOM 454 CB MET A 33 7.740 1.840 -1.712 1.00 0.00 C ATOM 455 CG MET A 33 6.748 1.259 -2.705 1.00 0.00 C ATOM 456 SD MET A 33 7.485 0.990 -4.327 1.00 0.00 S ATOM 457 CE MET A 33 8.912 -0.005 -3.888 1.00 0.00 C ATOM 0 H MET A 33 9.862 2.666 -0.831 1.00 0.00 H new ATOM 0 HA MET A 33 8.434 3.246 -3.203 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.567 1.141 -1.588 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.254 1.934 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.364 0.314 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.897 1.933 -2.802 1.00 0.00 H new ATOM 0 HE1 MET A 33 9.254 -0.557 -4.764 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.712 0.644 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.638 -0.707 -3.101 1.00 0.00 H new ATOM 467 N ARG A 34 7.726 5.187 -0.845 1.00 0.00 N ATOM 468 CA ARG A 34 6.916 6.319 -0.402 1.00 0.00 C ATOM 469 C ARG A 34 6.455 7.158 -1.589 1.00 0.00 C ATOM 470 O ARG A 34 5.301 7.583 -1.656 1.00 0.00 O ATOM 471 CB ARG A 34 7.761 7.185 0.517 1.00 0.00 C ATOM 472 CG ARG A 34 6.997 7.932 1.590 1.00 0.00 C ATOM 473 CD ARG A 34 7.970 8.674 2.488 1.00 0.00 C ATOM 474 NE ARG A 34 9.201 7.900 2.682 1.00 0.00 N ATOM 475 CZ ARG A 34 10.145 8.191 3.569 1.00 0.00 C ATOM 476 NH1 ARG A 34 9.997 9.217 4.399 1.00 0.00 N ATOM 477 NH2 ARG A 34 11.238 7.440 3.629 1.00 0.00 N ATOM 0 H ARG A 34 8.637 5.131 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 34 6.035 5.943 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.507 6.553 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.302 7.910 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.301 8.635 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.403 7.234 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.210 9.642 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.503 8.869 3.453 1.00 0.00 H new ATOM 0 HE ARG A 34 9.342 7.079 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.153 9.788 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.727 9.434 5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.347 6.647 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.969 7.656 4.307 1.00 0.00 H new ATOM 491 N LEU A 35 7.371 7.371 -2.526 1.00 0.00 N ATOM 492 CA LEU A 35 7.129 8.220 -3.689 1.00 0.00 C ATOM 493 C LEU A 35 6.024 7.630 -4.546 1.00 0.00 C ATOM 494 O LEU A 35 5.057 8.304 -4.906 1.00 0.00 O ATOM 495 CB LEU A 35 8.408 8.324 -4.517 1.00 0.00 C ATOM 496 CG LEU A 35 9.699 8.245 -3.703 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.899 8.090 -4.623 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.863 9.475 -2.822 1.00 0.00 C ATOM 0 H LEU A 35 8.304 6.960 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 35 6.827 9.210 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.412 7.525 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.396 9.267 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 35 9.638 7.369 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.810 8.035 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.793 7.177 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.956 8.947 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.789 9.394 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.897 10.368 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.020 9.545 -2.135 1.00 0.00 H new ATOM 510 N GLU A 36 6.181 6.351 -4.853 1.00 0.00 N ATOM 511 CA GLU A 36 5.214 5.624 -5.653 1.00 0.00 C ATOM 512 C GLU A 36 3.896 5.518 -4.899 1.00 0.00 C ATOM 513 O GLU A 36 2.822 5.487 -5.499 1.00 0.00 O ATOM 514 CB GLU A 36 5.752 4.227 -5.978 1.00 0.00 C ATOM 515 CG GLU A 36 7.166 4.234 -6.540 1.00 0.00 C ATOM 516 CD GLU A 36 7.267 4.909 -7.893 1.00 0.00 C ATOM 517 OE1 GLU A 36 7.483 6.138 -7.942 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.151 4.206 -8.917 1.00 0.00 O ATOM 0 H GLU A 36 6.980 5.792 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 36 5.044 6.161 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.733 3.620 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.087 3.749 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.827 4.742 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.521 3.207 -6.626 1.00 0.00 H new ATOM 525 N ALA A 37 3.991 5.487 -3.574 1.00 0.00 N ATOM 526 CA ALA A 37 2.811 5.375 -2.730 1.00 0.00 C ATOM 527 C ALA A 37 1.964 6.638 -2.802 1.00 0.00 C ATOM 528 O ALA A 37 0.770 6.573 -3.100 1.00 0.00 O ATOM 529 CB ALA A 37 3.199 5.079 -1.291 1.00 0.00 C ATOM 0 H ALA A 37 4.873 5.538 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 37 2.215 4.543 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.299 5.000 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.750 4.139 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.826 5.885 -0.910 1.00 0.00 H new ATOM 535 N GLU A 38 2.587 7.786 -2.544 1.00 0.00 N ATOM 536 CA GLU A 38 1.874 9.061 -2.556 1.00 0.00 C ATOM 537 C GLU A 38 1.264 9.334 -3.926 1.00 0.00 C ATOM 538 O GLU A 38 0.243 10.015 -4.037 1.00 0.00 O ATOM 539 CB GLU A 38 2.801 10.214 -2.168 1.00 0.00 C ATOM 540 CG GLU A 38 3.375 10.094 -0.767 1.00 0.00 C ATOM 541 CD GLU A 38 4.059 11.364 -0.312 1.00 0.00 C ATOM 542 OE1 GLU A 38 5.128 11.700 -0.861 1.00 0.00 O ATOM 543 OE2 GLU A 38 3.529 12.040 0.596 1.00 0.00 O ATOM 0 H GLU A 38 3.580 7.859 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 38 1.073 8.991 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.622 10.265 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.251 11.152 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.575 9.846 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.089 9.271 -0.739 1.00 0.00 H new ATOM 550 N ALA A 39 1.899 8.809 -4.965 1.00 0.00 N ATOM 551 CA ALA A 39 1.361 8.905 -6.311 1.00 0.00 C ATOM 552 C ALA A 39 0.025 8.178 -6.399 1.00 0.00 C ATOM 553 O ALA A 39 -0.993 8.775 -6.743 1.00 0.00 O ATOM 554 CB ALA A 39 2.345 8.335 -7.317 1.00 0.00 C ATOM 0 H ALA A 39 2.788 8.312 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 39 1.199 9.957 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.927 8.415 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.280 8.894 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.536 7.287 -7.086 1.00 0.00 H new ATOM 560 N VAL A 40 0.040 6.896 -6.042 1.00 0.00 N ATOM 561 CA VAL A 40 -1.158 6.059 -6.065 1.00 0.00 C ATOM 562 C VAL A 40 -2.284 6.677 -5.234 1.00 0.00 C ATOM 563 O VAL A 40 -3.448 6.665 -5.641 1.00 0.00 O ATOM 564 CB VAL A 40 -0.842 4.639 -5.540 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.102 3.796 -5.427 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.172 3.949 -6.439 1.00 0.00 C ATOM 0 H VAL A 40 0.880 6.409 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.490 5.992 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.415 4.744 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.844 2.804 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.798 4.273 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.569 3.706 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.381 2.951 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.231 3.870 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.094 4.530 -6.461 1.00 0.00 H new ATOM 576 N VAL A 41 -1.923 7.229 -4.080 1.00 0.00 N ATOM 577 CA VAL A 41 -2.888 7.859 -3.180 1.00 0.00 C ATOM 578 C VAL A 41 -3.684 8.956 -3.889 1.00 0.00 C ATOM 579 O VAL A 41 -4.877 9.128 -3.639 1.00 0.00 O ATOM 580 CB VAL A 41 -2.179 8.453 -1.944 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.153 9.192 -1.042 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.472 7.360 -1.166 1.00 0.00 C ATOM 0 H VAL A 41 -0.961 7.253 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.581 7.082 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.442 9.173 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.618 9.596 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.616 10.007 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.924 8.503 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.977 7.794 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.200 6.619 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.730 6.880 -1.805 1.00 0.00 H new ATOM 592 N ASN A 42 -3.026 9.687 -4.778 1.00 0.00 N ATOM 593 CA ASN A 42 -3.689 10.741 -5.539 1.00 0.00 C ATOM 594 C ASN A 42 -4.379 10.166 -6.769 1.00 0.00 C ATOM 595 O ASN A 42 -5.520 10.518 -7.071 1.00 0.00 O ATOM 596 CB ASN A 42 -2.696 11.825 -5.975 1.00 0.00 C ATOM 597 CG ASN A 42 -2.190 12.672 -4.822 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.060 12.202 -3.695 1.00 0.00 O ATOM 599 ND2 ASN A 42 -1.909 13.936 -5.098 1.00 0.00 N ATOM 0 H ASN A 42 -2.035 9.571 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.434 11.192 -4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.847 11.353 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.174 12.472 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.572 14.556 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.030 14.290 -6.047 1.00 0.00 H new ATOM 606 N ASP A 43 -3.682 9.269 -7.460 1.00 0.00 N ATOM 607 CA ASP A 43 -4.170 8.702 -8.721 1.00 0.00 C ATOM 608 C ASP A 43 -5.541 8.043 -8.567 1.00 0.00 C ATOM 609 O ASP A 43 -6.430 8.251 -9.389 1.00 0.00 O ATOM 610 CB ASP A 43 -3.166 7.689 -9.286 1.00 0.00 C ATOM 611 CG ASP A 43 -2.085 8.332 -10.141 1.00 0.00 C ATOM 612 OD1 ASP A 43 -1.115 8.888 -9.581 1.00 0.00 O ATOM 613 OD2 ASP A 43 -2.191 8.270 -11.383 1.00 0.00 O ATOM 0 H ASP A 43 -2.771 8.915 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.277 9.532 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.697 7.153 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.701 6.950 -9.883 1.00 0.00 H new ATOM 618 N VAL A 44 -5.724 7.262 -7.510 1.00 0.00 N ATOM 619 CA VAL A 44 -6.986 6.547 -7.316 1.00 0.00 C ATOM 620 C VAL A 44 -7.823 7.164 -6.196 1.00 0.00 C ATOM 621 O VAL A 44 -8.777 6.550 -5.719 1.00 0.00 O ATOM 622 CB VAL A 44 -6.758 5.049 -7.016 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.028 4.378 -8.170 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.997 4.860 -5.710 1.00 0.00 C ATOM 0 H VAL A 44 -5.027 7.106 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.532 6.639 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.733 4.575 -6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.876 3.323 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.622 4.470 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.061 4.860 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.851 3.796 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.027 5.353 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.568 5.296 -4.890 1.00 0.00 H new ATOM 634 N LEU A 45 -7.488 8.391 -5.810 1.00 0.00 N ATOM 635 CA LEU A 45 -8.179 9.072 -4.714 1.00 0.00 C ATOM 636 C LEU A 45 -9.672 9.218 -4.999 1.00 0.00 C ATOM 637 O LEU A 45 -10.509 8.921 -4.147 1.00 0.00 O ATOM 638 CB LEU A 45 -7.563 10.453 -4.468 1.00 0.00 C ATOM 639 CG LEU A 45 -8.192 11.257 -3.322 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.019 10.533 -1.995 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.586 12.650 -3.251 1.00 0.00 C ATOM 0 H LEU A 45 -6.741 8.937 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.060 8.459 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.500 10.327 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.642 11.036 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.259 11.354 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.473 11.122 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.503 9.558 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.957 10.400 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.045 13.205 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.512 12.571 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.766 13.173 -4.190 1.00 0.00 H new ATOM 653 N PHE A 46 -10.000 9.655 -6.207 1.00 0.00 N ATOM 654 CA PHE A 46 -11.388 9.927 -6.569 1.00 0.00 C ATOM 655 C PHE A 46 -12.171 8.640 -6.819 1.00 0.00 C ATOM 656 O PHE A 46 -13.393 8.665 -6.971 1.00 0.00 O ATOM 657 CB PHE A 46 -11.457 10.838 -7.801 1.00 0.00 C ATOM 658 CG PHE A 46 -10.715 10.321 -9.005 1.00 0.00 C ATOM 659 CD1 PHE A 46 -11.345 9.497 -9.925 1.00 0.00 C ATOM 660 CD2 PHE A 46 -9.391 10.667 -9.221 1.00 0.00 C ATOM 661 CE1 PHE A 46 -10.667 9.026 -11.036 1.00 0.00 C ATOM 662 CE2 PHE A 46 -8.709 10.202 -10.330 1.00 0.00 C ATOM 663 CZ PHE A 46 -9.349 9.379 -11.238 1.00 0.00 C ATOM 0 H PHE A 46 -9.327 9.829 -6.953 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.850 10.438 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.503 10.984 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.056 11.816 -7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.378 9.219 -9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.885 11.308 -8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.169 8.383 -11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.678 10.481 -10.487 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.818 9.013 -12.104 1.00 0.00 H new ATOM 673 N ALA A 47 -11.470 7.516 -6.847 1.00 0.00 N ATOM 674 CA ALA A 47 -12.110 6.234 -7.089 1.00 0.00 C ATOM 675 C ALA A 47 -12.625 5.633 -5.784 1.00 0.00 C ATOM 676 O ALA A 47 -13.461 4.727 -5.787 1.00 0.00 O ATOM 677 CB ALA A 47 -11.141 5.283 -7.772 1.00 0.00 C ATOM 0 H ALA A 47 -10.461 7.467 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.963 6.392 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.633 4.326 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.824 5.708 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.270 5.131 -7.135 1.00 0.00 H new ATOM 683 N VAL A 48 -12.132 6.151 -4.669 1.00 0.00 N ATOM 684 CA VAL A 48 -12.517 5.653 -3.357 1.00 0.00 C ATOM 685 C VAL A 48 -13.101 6.775 -2.506 1.00 0.00 C ATOM 686 O VAL A 48 -13.398 7.858 -3.016 1.00 0.00 O ATOM 687 CB VAL A 48 -11.318 5.011 -2.619 1.00 0.00 C ATOM 688 CG1 VAL A 48 -10.813 3.790 -3.368 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.194 6.014 -2.415 1.00 0.00 C ATOM 0 H VAL A 48 -11.462 6.919 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.276 4.886 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.667 4.693 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.970 3.356 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.613 3.053 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.493 4.083 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.367 5.532 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.851 6.378 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.558 6.852 -1.821 1.00 0.00 H new ATOM 699 N ASN A 49 -13.283 6.508 -1.219 1.00 0.00 N ATOM 700 CA ASN A 49 -13.800 7.510 -0.297 1.00 0.00 C ATOM 701 C ASN A 49 -12.644 8.229 0.381 1.00 0.00 C ATOM 702 O ASN A 49 -12.653 9.453 0.537 1.00 0.00 O ATOM 703 CB ASN A 49 -14.689 6.865 0.772 1.00 0.00 C ATOM 704 CG ASN A 49 -15.330 7.892 1.689 1.00 0.00 C ATOM 705 OD1 ASN A 49 -15.709 8.978 1.253 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.424 7.569 2.969 1.00 0.00 N ATOM 0 H ASN A 49 -13.080 5.605 -0.790 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.398 8.221 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.469 6.279 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.093 6.173 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.823 8.232 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.098 6.657 3.290 1.00 0.00 H new ATOM 713 N ASN A 50 -11.644 7.455 0.781 1.00 0.00 N ATOM 714 CA ASN A 50 -10.492 7.999 1.477 1.00 0.00 C ATOM 715 C ASN A 50 -9.238 7.190 1.168 1.00 0.00 C ATOM 716 O ASN A 50 -9.291 5.968 1.024 1.00 0.00 O ATOM 717 CB ASN A 50 -10.753 8.021 2.984 1.00 0.00 C ATOM 718 CG ASN A 50 -9.646 8.711 3.758 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.738 8.066 4.281 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.705 10.031 3.814 1.00 0.00 N ATOM 0 H ASN A 50 -11.610 6.446 0.634 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.330 9.020 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.698 8.529 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.861 6.998 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.980 10.554 4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.476 10.526 3.366 1.00 0.00 H new ATOM 727 N MET A 51 -8.118 7.883 1.058 1.00 0.00 N ATOM 728 CA MET A 51 -6.843 7.258 0.749 1.00 0.00 C ATOM 729 C MET A 51 -5.764 7.854 1.649 1.00 0.00 C ATOM 730 O MET A 51 -5.510 9.059 1.600 1.00 0.00 O ATOM 731 CB MET A 51 -6.497 7.490 -0.724 1.00 0.00 C ATOM 732 CG MET A 51 -6.086 6.234 -1.471 1.00 0.00 C ATOM 733 SD MET A 51 -4.632 5.442 -0.768 1.00 0.00 S ATOM 734 CE MET A 51 -4.438 4.061 -1.889 1.00 0.00 C ATOM 0 H MET A 51 -8.066 8.894 1.180 1.00 0.00 H new ATOM 0 HA MET A 51 -6.904 6.184 0.926 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.360 7.931 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.687 8.217 -0.785 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.916 5.527 -1.466 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.888 6.486 -2.513 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.190 3.164 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.369 3.901 -2.433 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.637 4.276 -2.596 1.00 0.00 H new ATOM 744 N PHE A 52 -5.146 7.026 2.481 1.00 0.00 N ATOM 745 CA PHE A 52 -4.201 7.520 3.476 1.00 0.00 C ATOM 746 C PHE A 52 -3.017 6.563 3.623 1.00 0.00 C ATOM 747 O PHE A 52 -3.200 5.363 3.797 1.00 0.00 O ATOM 748 CB PHE A 52 -4.930 7.683 4.816 1.00 0.00 C ATOM 749 CG PHE A 52 -4.205 8.528 5.829 1.00 0.00 C ATOM 750 CD1 PHE A 52 -4.277 9.910 5.773 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.466 7.940 6.841 1.00 0.00 C ATOM 752 CE1 PHE A 52 -3.624 10.689 6.709 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.810 8.715 7.781 1.00 0.00 C ATOM 754 CZ PHE A 52 -2.888 10.091 7.714 1.00 0.00 C ATOM 0 H PHE A 52 -5.280 6.015 2.488 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.809 8.484 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.909 8.124 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.101 6.695 5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.850 10.384 4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.401 6.863 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.689 11.766 6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.238 8.243 8.566 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.375 10.699 8.445 1.00 0.00 H new ATOM 764 N VAL A 53 -1.803 7.093 3.548 1.00 0.00 N ATOM 765 CA VAL A 53 -0.611 6.265 3.698 1.00 0.00 C ATOM 766 C VAL A 53 -0.369 5.919 5.164 1.00 0.00 C ATOM 767 O VAL A 53 -0.103 6.796 5.988 1.00 0.00 O ATOM 768 CB VAL A 53 0.648 6.931 3.094 1.00 0.00 C ATOM 769 CG1 VAL A 53 0.641 6.804 1.580 1.00 0.00 C ATOM 770 CG2 VAL A 53 0.741 8.396 3.491 1.00 0.00 C ATOM 0 H VAL A 53 -1.617 8.083 3.386 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.796 5.347 3.141 1.00 0.00 H new ATOM 0 HB VAL A 53 1.521 6.413 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.533 7.278 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.631 5.750 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.246 7.293 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.636 8.836 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.140 8.927 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.793 8.476 4.577 1.00 0.00 H new ATOM 780 N SER A 54 -0.470 4.626 5.467 1.00 0.00 N ATOM 781 CA SER A 54 -0.333 4.112 6.827 1.00 0.00 C ATOM 782 C SER A 54 -1.270 4.845 7.792 1.00 0.00 C ATOM 783 O SER A 54 -2.356 5.278 7.413 1.00 0.00 O ATOM 784 CB SER A 54 1.114 4.256 7.313 1.00 0.00 C ATOM 785 OG SER A 54 2.046 4.055 6.261 1.00 0.00 O ATOM 0 H SER A 54 -0.650 3.902 4.771 1.00 0.00 H new ATOM 0 HA SER A 54 -0.605 3.057 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.257 5.248 7.740 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.303 3.536 8.109 1.00 0.00 H new ATOM 0 HG SER A 54 1.773 3.281 5.725 1.00 0.00 H new ATOM 791 N LYS A 55 -0.825 4.935 9.039 1.00 0.00 N ATOM 792 CA LYS A 55 -1.512 5.631 10.127 1.00 0.00 C ATOM 793 C LYS A 55 -0.836 5.198 11.409 1.00 0.00 C ATOM 794 O LYS A 55 -0.601 5.986 12.322 1.00 0.00 O ATOM 795 CB LYS A 55 -3.005 5.282 10.198 1.00 0.00 C ATOM 796 CG LYS A 55 -3.790 6.151 11.173 1.00 0.00 C ATOM 797 CD LYS A 55 -5.218 5.653 11.348 1.00 0.00 C ATOM 798 CE LYS A 55 -5.394 4.849 12.628 1.00 0.00 C ATOM 799 NZ LYS A 55 -4.448 3.708 12.721 1.00 0.00 N ATOM 0 H LYS A 55 0.055 4.512 9.334 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.451 6.707 9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.440 5.382 9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.112 4.237 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.287 6.159 12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.805 7.180 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.899 6.504 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.493 5.036 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.252 5.505 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.416 4.474 12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.775 3.045 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.403 3.218 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.502 4.061 12.971 1.00 0.00 H new ATOM 813 N SER A 56 -0.525 3.915 11.440 1.00 0.00 N ATOM 814 CA SER A 56 0.208 3.301 12.535 1.00 0.00 C ATOM 815 C SER A 56 1.223 2.309 11.969 1.00 0.00 C ATOM 816 O SER A 56 1.876 1.567 12.704 1.00 0.00 O ATOM 817 CB SER A 56 -0.769 2.589 13.473 1.00 0.00 C ATOM 818 OG SER A 56 -1.857 3.439 13.813 1.00 0.00 O ATOM 0 H SER A 56 -0.776 3.262 10.698 1.00 0.00 H new ATOM 0 HA SER A 56 0.738 4.068 13.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.145 1.684 12.995 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.248 2.278 14.379 1.00 0.00 H new ATOM 0 HG SER A 56 -2.469 2.963 14.412 1.00 0.00 H new ATOM 824 N LEU A 57 1.337 2.312 10.645 1.00 0.00 N ATOM 825 CA LEU A 57 2.241 1.436 9.926 1.00 0.00 C ATOM 826 C LEU A 57 3.520 2.191 9.592 1.00 0.00 C ATOM 827 O LEU A 57 3.964 3.035 10.368 1.00 0.00 O ATOM 828 CB LEU A 57 1.554 0.954 8.645 1.00 0.00 C ATOM 829 CG LEU A 57 0.244 0.199 8.860 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.565 0.150 7.572 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.538 -1.207 9.349 1.00 0.00 C ATOM 0 H LEU A 57 0.797 2.930 10.040 1.00 0.00 H new ATOM 0 HA LEU A 57 2.496 0.573 10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.358 1.817 8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.244 0.308 8.102 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.344 0.724 9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.494 -0.392 7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.793 1.165 7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.012 -0.358 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.399 -1.743 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.140 -1.732 8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.085 -1.158 10.291 1.00 0.00 H new ATOM 843 N ARG A 58 4.103 1.904 8.439 1.00 0.00 N ATOM 844 CA ARG A 58 5.336 2.567 8.037 1.00 0.00 C ATOM 845 C ARG A 58 5.616 2.336 6.557 1.00 0.00 C ATOM 846 O ARG A 58 4.983 1.495 5.919 1.00 0.00 O ATOM 847 CB ARG A 58 6.516 2.061 8.877 1.00 0.00 C ATOM 848 CG ARG A 58 7.070 0.717 8.433 1.00 0.00 C ATOM 849 CD ARG A 58 8.115 0.202 9.405 1.00 0.00 C ATOM 850 NE ARG A 58 7.509 -0.346 10.618 1.00 0.00 N ATOM 851 CZ ARG A 58 7.786 0.076 11.851 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.589 1.116 12.039 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.233 -0.533 12.894 1.00 0.00 N ATOM 0 H ARG A 58 3.747 1.222 7.769 1.00 0.00 H new ATOM 0 HA ARG A 58 5.215 3.637 8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.316 2.800 8.841 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.200 1.985 9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.257 -0.005 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.510 0.813 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.715 -0.568 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.793 1.013 9.672 1.00 0.00 H new ATOM 0 HE ARG A 58 6.830 -1.100 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.997 1.596 11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.798 1.435 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.600 -1.319 12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.441 -0.214 13.840 1.00 0.00 H new ATOM 867 N CYS A 59 6.557 3.093 6.019 1.00 0.00 N ATOM 868 CA CYS A 59 7.026 2.891 4.661 1.00 0.00 C ATOM 869 C CYS A 59 8.549 2.891 4.644 1.00 0.00 C ATOM 870 O CYS A 59 9.187 3.946 4.609 1.00 0.00 O ATOM 871 CB CYS A 59 6.464 3.966 3.732 1.00 0.00 C ATOM 872 SG CYS A 59 6.627 5.651 4.371 1.00 0.00 S ATOM 0 H CYS A 59 7.015 3.861 6.509 1.00 0.00 H new ATOM 0 HA CYS A 59 6.672 1.926 4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.973 3.903 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.410 3.758 3.549 1.00 0.00 H new ATOM 0 HG CYS A 59 7.818 5.815 4.865 1.00 0.00 H new ATOM 878 N ALA A 60 9.123 1.700 4.701 1.00 0.00 N ATOM 879 CA ALA A 60 10.564 1.555 4.806 1.00 0.00 C ATOM 880 C ALA A 60 11.164 1.055 3.502 1.00 0.00 C ATOM 881 O ALA A 60 11.335 -0.150 3.319 1.00 0.00 O ATOM 882 CB ALA A 60 10.923 0.618 5.951 1.00 0.00 C ATOM 0 H ALA A 60 8.611 0.818 4.676 1.00 0.00 H new ATOM 0 HA ALA A 60 10.985 2.539 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.007 0.521 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.539 1.023 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.481 -0.362 5.772 1.00 0.00 H new ATOM 888 N ASP A 61 11.437 1.996 2.597 1.00 0.00 N ATOM 889 CA ASP A 61 12.134 1.728 1.334 1.00 0.00 C ATOM 890 C ASP A 61 11.392 0.718 0.458 1.00 0.00 C ATOM 891 O ASP A 61 10.639 1.094 -0.437 1.00 0.00 O ATOM 892 CB ASP A 61 13.563 1.244 1.609 1.00 0.00 C ATOM 893 CG ASP A 61 14.365 1.037 0.338 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.912 2.026 -0.186 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.458 -0.117 -0.132 1.00 0.00 O ATOM 0 H ASP A 61 11.179 2.975 2.719 1.00 0.00 H new ATOM 0 HA ASP A 61 12.168 2.667 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.073 1.971 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.524 0.308 2.166 1.00 0.00 H new ATOM 900 N ASP A 62 11.588 -0.557 0.750 1.00 0.00 N ATOM 901 CA ASP A 62 11.059 -1.647 -0.061 1.00 0.00 C ATOM 902 C ASP A 62 9.552 -1.798 0.127 1.00 0.00 C ATOM 903 O ASP A 62 8.836 -2.201 -0.791 1.00 0.00 O ATOM 904 CB ASP A 62 11.767 -2.951 0.326 1.00 0.00 C ATOM 905 CG ASP A 62 11.301 -4.152 -0.477 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.881 -4.421 -1.547 1.00 0.00 O ATOM 907 OD2 ASP A 62 10.376 -4.859 -0.023 1.00 0.00 O ATOM 0 H ASP A 62 12.122 -0.869 1.561 1.00 0.00 H new ATOM 0 HA ASP A 62 11.243 -1.420 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.841 -2.827 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.601 -3.145 1.386 1.00 0.00 H new ATOM 912 N VAL A 63 9.070 -1.463 1.316 1.00 0.00 N ATOM 913 CA VAL A 63 7.668 -1.656 1.644 1.00 0.00 C ATOM 914 C VAL A 63 6.971 -0.325 1.924 1.00 0.00 C ATOM 915 O VAL A 63 7.525 0.555 2.586 1.00 0.00 O ATOM 916 CB VAL A 63 7.509 -2.596 2.863 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.107 -1.976 4.119 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.050 -2.954 3.083 1.00 0.00 C ATOM 0 H VAL A 63 9.629 -1.057 2.066 1.00 0.00 H new ATOM 0 HA VAL A 63 7.195 -2.117 0.777 1.00 0.00 H new ATOM 0 HB VAL A 63 8.057 -3.513 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.980 -2.660 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.169 -1.788 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.601 -1.036 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.964 -3.615 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.476 -2.045 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.662 -3.459 2.198 1.00 0.00 H new ATOM 928 N ALA A 64 5.768 -0.172 1.395 1.00 0.00 N ATOM 929 CA ALA A 64 4.940 0.984 1.695 1.00 0.00 C ATOM 930 C ALA A 64 3.547 0.534 2.117 1.00 0.00 C ATOM 931 O ALA A 64 2.773 0.036 1.302 1.00 0.00 O ATOM 932 CB ALA A 64 4.861 1.920 0.498 1.00 0.00 C ATOM 0 H ALA A 64 5.341 -0.839 0.752 1.00 0.00 H new ATOM 0 HA ALA A 64 5.397 1.532 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.236 2.777 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.862 2.264 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.428 1.390 -0.350 1.00 0.00 H new ATOM 938 N TYR A 65 3.238 0.692 3.391 1.00 0.00 N ATOM 939 CA TYR A 65 1.939 0.293 3.910 1.00 0.00 C ATOM 940 C TYR A 65 0.920 1.413 3.733 1.00 0.00 C ATOM 941 O TYR A 65 1.085 2.510 4.270 1.00 0.00 O ATOM 942 CB TYR A 65 2.051 -0.078 5.384 1.00 0.00 C ATOM 943 CG TYR A 65 2.742 -1.397 5.644 1.00 0.00 C ATOM 944 CD1 TYR A 65 2.138 -2.598 5.296 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.996 -1.442 6.239 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.761 -3.806 5.534 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.628 -2.647 6.482 1.00 0.00 C ATOM 948 CZ TYR A 65 4.006 -3.828 6.125 1.00 0.00 C ATOM 949 OH TYR A 65 4.626 -5.037 6.356 1.00 0.00 O ATOM 0 H TYR A 65 3.867 1.093 4.086 1.00 0.00 H new ATOM 0 HA TYR A 65 1.600 -0.577 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.593 0.711 5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.050 -0.115 5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.163 -2.586 4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.486 -0.520 6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.275 -4.730 5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.602 -2.665 6.948 1.00 0.00 H new ATOM 0 HH TYR A 65 4.549 -5.602 5.559 1.00 0.00 H new ATOM 959 N ILE A 66 -0.132 1.135 2.979 1.00 0.00 N ATOM 960 CA ILE A 66 -1.154 2.133 2.700 1.00 0.00 C ATOM 961 C ILE A 66 -2.524 1.659 3.189 1.00 0.00 C ATOM 962 O ILE A 66 -2.866 0.481 3.068 1.00 0.00 O ATOM 963 CB ILE A 66 -1.231 2.455 1.189 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.153 2.834 0.653 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.221 3.585 0.933 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.175 3.127 -0.832 1.00 0.00 C ATOM 0 H ILE A 66 -0.301 0.226 2.549 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.874 3.040 3.236 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.578 1.564 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.513 3.710 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.849 2.022 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.262 3.798 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.210 3.288 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.900 4.478 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.189 3.387 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.154 2.245 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.494 3.960 -1.049 1.00 0.00 H new ATOM 978 N ASN A 67 -3.295 2.585 3.743 1.00 0.00 N ATOM 979 CA ASN A 67 -4.638 2.298 4.220 1.00 0.00 C ATOM 980 C ASN A 67 -5.654 3.001 3.333 1.00 0.00 C ATOM 981 O ASN A 67 -5.726 4.231 3.305 1.00 0.00 O ATOM 982 CB ASN A 67 -4.804 2.767 5.670 1.00 0.00 C ATOM 983 CG ASN A 67 -4.022 1.933 6.666 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.854 0.723 6.501 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.530 2.582 7.707 1.00 0.00 N ATOM 0 H ASN A 67 -3.006 3.554 3.874 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.802 1.221 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.484 3.806 5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.861 2.739 5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.988 2.081 8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.692 3.584 7.806 1.00 0.00 H new ATOM 992 N VAL A 68 -6.428 2.229 2.596 1.00 0.00 N ATOM 993 CA VAL A 68 -7.383 2.796 1.657 1.00 0.00 C ATOM 994 C VAL A 68 -8.811 2.404 2.026 1.00 0.00 C ATOM 995 O VAL A 68 -9.070 1.288 2.492 1.00 0.00 O ATOM 996 CB VAL A 68 -7.068 2.358 0.204 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.153 0.846 0.055 1.00 0.00 C ATOM 998 CG2 VAL A 68 -7.991 3.048 -0.790 1.00 0.00 C ATOM 0 H VAL A 68 -6.417 1.210 2.627 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.294 3.881 1.715 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.045 2.663 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.927 0.569 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.434 0.373 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.159 0.511 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.747 2.721 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.026 2.790 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.863 4.128 -0.717 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.726 3.338 1.837 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.138 3.086 2.049 1.00 0.00 C ATOM 1010 C GLU A 69 -11.902 3.387 0.767 1.00 0.00 C ATOM 1011 O GLU A 69 -11.969 4.539 0.329 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.684 3.933 3.206 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.129 3.609 3.558 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.691 4.496 4.650 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.336 4.292 5.833 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -14.502 5.389 4.334 1.00 0.00 O ATOM 0 H GLU A 69 -9.512 4.288 1.534 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.270 2.037 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.059 3.779 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.609 4.988 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.745 3.709 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.194 2.568 3.875 1.00 0.00 H new ATOM 1023 N THR A 70 -12.448 2.346 0.154 1.00 0.00 N ATOM 1024 CA THR A 70 -13.213 2.487 -1.080 1.00 0.00 C ATOM 1025 C THR A 70 -14.453 3.348 -0.852 1.00 0.00 C ATOM 1026 O THR A 70 -14.795 3.655 0.287 1.00 0.00 O ATOM 1027 CB THR A 70 -13.642 1.108 -1.614 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.441 0.430 -0.633 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.428 0.257 -1.954 1.00 0.00 C ATOM 0 H THR A 70 -12.375 1.387 0.493 1.00 0.00 H new ATOM 0 HA THR A 70 -12.571 2.972 -1.815 1.00 0.00 H new ATOM 0 HB THR A 70 -14.227 1.261 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.712 -0.446 -0.980 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.757 -0.712 -2.329 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.834 0.759 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.822 0.113 -1.059 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.139 3.736 -1.923 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.355 4.528 -1.769 1.00 0.00 C ATOM 1039 C LYS A 71 -17.518 3.648 -1.311 1.00 0.00 C ATOM 1040 O LYS A 71 -18.631 4.128 -1.101 1.00 0.00 O ATOM 1041 CB LYS A 71 -16.704 5.298 -3.049 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.791 4.448 -4.307 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.293 5.270 -5.488 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.359 6.428 -5.808 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.973 7.394 -6.758 1.00 0.00 N ATOM 0 H LYS A 71 -14.882 3.521 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.168 5.273 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.659 5.802 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.954 6.074 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.810 4.034 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.461 3.605 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.389 4.628 -6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.288 5.656 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.094 6.945 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.433 6.040 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.303 8.167 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.203 6.907 -7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.843 7.784 -6.342 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.238 2.357 -1.144 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.169 1.438 -0.500 1.00 0.00 C ATOM 1061 C GLU A 72 -17.952 1.503 1.012 1.00 0.00 C ATOM 1062 O GLU A 72 -18.681 0.894 1.798 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.936 0.004 -0.998 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.944 -1.005 -0.465 1.00 0.00 C ATOM 1065 CD GLU A 72 -18.436 -2.434 -0.523 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -18.644 -3.104 -1.556 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -17.843 -2.898 0.473 1.00 0.00 O ATOM 0 H GLU A 72 -16.367 1.923 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.192 1.724 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.972 -0.002 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.933 -0.312 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.191 -0.754 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.866 -0.929 -1.041 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.932 2.269 1.396 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.488 2.384 2.779 1.00 0.00 C ATOM 1076 C ARG A 73 -16.056 1.027 3.308 1.00 0.00 C ATOM 1077 O ARG A 73 -16.399 0.635 4.419 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.561 3.010 3.674 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.969 4.408 3.239 1.00 0.00 C ATOM 1080 CD ARG A 73 -18.261 5.304 4.431 1.00 0.00 C ATOM 1081 NE ARG A 73 -17.041 5.686 5.145 1.00 0.00 N ATOM 1082 CZ ARG A 73 -17.024 6.240 6.356 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -18.155 6.427 7.027 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -15.867 6.603 6.897 1.00 0.00 N ATOM 0 H ARG A 73 -16.386 2.833 0.745 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.629 3.055 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.441 2.367 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.191 3.050 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.174 4.849 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.853 4.348 2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.778 6.202 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.935 4.788 5.115 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.146 5.517 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.045 6.146 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.134 6.852 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.997 6.457 6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.849 7.028 7.824 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.299 0.318 2.489 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.714 -0.949 2.888 1.00 0.00 C ATOM 1100 C ASN A 74 -13.213 -0.753 3.045 1.00 0.00 C ATOM 1101 O ASN A 74 -12.565 -0.155 2.181 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.018 -2.031 1.848 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.878 -3.440 2.395 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -14.071 -3.705 3.289 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -15.684 -4.348 1.874 1.00 0.00 N ATOM 0 H ASN A 74 -15.074 0.602 1.536 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.142 -1.277 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.032 -1.892 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.346 -1.909 0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.653 -5.310 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.337 -4.087 1.136 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.663 -1.237 4.145 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.283 -0.930 4.500 1.00 0.00 C ATOM 1114 C ARG A 75 -10.340 -2.039 4.062 1.00 0.00 C ATOM 1115 O ARG A 75 -10.574 -3.214 4.334 1.00 0.00 O ATOM 1116 CB ARG A 75 -11.147 -0.686 6.009 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.810 0.601 6.489 1.00 0.00 C ATOM 1118 CD ARG A 75 -13.325 0.494 6.501 1.00 0.00 C ATOM 1119 NE ARG A 75 -13.967 1.794 6.673 1.00 0.00 N ATOM 1120 CZ ARG A 75 -15.235 1.954 7.045 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -15.985 0.905 7.365 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -15.750 3.171 7.109 1.00 0.00 N ATOM 0 H ARG A 75 -13.147 -1.843 4.808 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.005 -0.018 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.583 -1.529 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.089 -0.657 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.456 0.838 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.510 1.426 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.663 0.044 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.634 -0.172 7.307 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.410 2.630 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.590 -0.035 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.955 1.039 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.176 3.981 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.721 3.300 7.393 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.278 -1.654 3.372 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.266 -2.599 2.933 1.00 0.00 C ATOM 1138 C TYR A 76 -6.876 -2.065 3.247 1.00 0.00 C ATOM 1139 O TYR A 76 -6.554 -0.917 2.930 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.392 -2.881 1.429 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.693 -3.547 1.039 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.884 -4.907 1.244 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.726 -2.817 0.463 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.068 -5.521 0.887 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.914 -3.425 0.105 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.080 -4.776 0.317 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.261 -5.386 -0.039 1.00 0.00 O ATOM 0 H TYR A 76 -9.095 -0.687 3.103 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.420 -3.534 3.472 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.298 -1.942 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.562 -3.515 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.094 -5.494 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.598 -1.758 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.201 -6.580 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.709 -2.844 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.869 -4.722 -0.425 1.00 0.00 H new ATOM 1157 N CYS A 77 -6.063 -2.891 3.888 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.691 -2.524 4.184 1.00 0.00 C ATOM 1159 C CYS A 77 -3.781 -3.117 3.115 1.00 0.00 C ATOM 1160 O CYS A 77 -3.699 -4.342 2.961 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.292 -3.021 5.576 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.773 -2.276 6.215 1.00 0.00 S ATOM 0 H CYS A 77 -6.332 -3.820 4.212 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.592 -1.438 4.180 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.106 -2.815 6.271 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.168 -4.103 5.542 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.938 -0.992 6.338 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.118 -2.249 2.364 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.335 -2.679 1.220 1.00 0.00 C ATOM 1170 C LEU A 78 -0.842 -2.510 1.468 1.00 0.00 C ATOM 1171 O LEU A 78 -0.375 -1.439 1.868 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.747 -1.895 -0.028 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.213 -2.049 -0.438 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.500 -1.241 -1.690 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.555 -3.514 -0.661 1.00 0.00 C ATOM 0 H LEU A 78 -3.108 -1.242 2.529 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.533 -3.739 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.543 -0.838 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.118 -2.211 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.838 -1.670 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.547 -1.361 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.294 -0.188 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.865 -1.593 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.602 -3.603 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.923 -3.919 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.386 -4.071 0.260 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.107 -3.582 1.229 1.00 0.00 N ATOM 1188 CA GLU A 79 1.339 -3.576 1.317 1.00 0.00 C ATOM 1189 C GLU A 79 1.925 -3.383 -0.077 1.00 0.00 C ATOM 1190 O GLU A 79 1.935 -4.308 -0.895 1.00 0.00 O ATOM 1191 CB GLU A 79 1.827 -4.888 1.942 1.00 0.00 C ATOM 1192 CG GLU A 79 3.336 -5.004 2.060 1.00 0.00 C ATOM 1193 CD GLU A 79 3.769 -6.290 2.739 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.716 -7.357 2.093 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.167 -6.242 3.922 1.00 0.00 O ATOM 0 H GLU A 79 -0.501 -4.486 0.967 1.00 0.00 H new ATOM 0 HA GLU A 79 1.670 -2.755 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.388 -4.988 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.457 -5.721 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.780 -4.955 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.720 -4.153 2.623 1.00 0.00 H new ATOM 1202 N LEU A 80 2.355 -2.162 -0.362 1.00 0.00 N ATOM 1203 CA LEU A 80 2.927 -1.838 -1.658 1.00 0.00 C ATOM 1204 C LEU A 80 4.400 -2.222 -1.692 1.00 0.00 C ATOM 1205 O LEU A 80 5.206 -1.706 -0.914 1.00 0.00 O ATOM 1206 CB LEU A 80 2.757 -0.344 -1.958 1.00 0.00 C ATOM 1207 CG LEU A 80 3.294 0.117 -3.317 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.584 -0.603 -4.452 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.140 1.621 -3.469 1.00 0.00 C ATOM 0 H LEU A 80 2.318 -1.378 0.290 1.00 0.00 H new ATOM 0 HA LEU A 80 2.400 -2.406 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.697 -0.098 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.258 0.226 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 80 4.354 -0.131 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.982 -0.259 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.744 -1.677 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.516 -0.390 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.527 1.930 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.086 1.888 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.697 2.125 -2.679 1.00 0.00 H new ATOM 1221 N THR A 81 4.736 -3.142 -2.582 1.00 0.00 N ATOM 1222 CA THR A 81 6.097 -3.634 -2.713 1.00 0.00 C ATOM 1223 C THR A 81 6.464 -3.772 -4.187 1.00 0.00 C ATOM 1224 O THR A 81 5.706 -3.340 -5.057 1.00 0.00 O ATOM 1225 CB THR A 81 6.258 -4.997 -2.015 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.230 -5.897 -2.457 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.196 -4.852 -0.502 1.00 0.00 C ATOM 0 H THR A 81 4.075 -3.567 -3.232 1.00 0.00 H new ATOM 0 HA THR A 81 6.764 -2.916 -2.236 1.00 0.00 H new ATOM 0 HB THR A 81 7.236 -5.399 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.339 -6.763 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.313 -5.831 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.997 -4.193 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.234 -4.427 -0.216 1.00 0.00 H new ATOM 1235 N GLU A 82 7.607 -4.390 -4.476 1.00 0.00 N ATOM 1236 CA GLU A 82 8.019 -4.608 -5.863 1.00 0.00 C ATOM 1237 C GLU A 82 7.134 -5.663 -6.525 1.00 0.00 C ATOM 1238 O GLU A 82 7.130 -5.810 -7.747 1.00 0.00 O ATOM 1239 CB GLU A 82 9.487 -5.037 -5.947 1.00 0.00 C ATOM 1240 CG GLU A 82 9.784 -6.356 -5.252 1.00 0.00 C ATOM 1241 CD GLU A 82 11.220 -6.805 -5.428 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.138 -5.994 -5.192 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.436 -7.973 -5.808 1.00 0.00 O ATOM 0 H GLU A 82 8.259 -4.746 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 82 7.907 -3.662 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.772 -5.118 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.109 -4.258 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.567 -6.257 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.118 -7.125 -5.643 1.00 0.00 H new ATOM 1250 N ALA A 83 6.386 -6.392 -5.706 1.00 0.00 N ATOM 1251 CA ALA A 83 5.471 -7.412 -6.201 1.00 0.00 C ATOM 1252 C ALA A 83 4.099 -6.807 -6.475 1.00 0.00 C ATOM 1253 O ALA A 83 3.163 -7.508 -6.859 1.00 0.00 O ATOM 1254 CB ALA A 83 5.362 -8.552 -5.199 1.00 0.00 C ATOM 0 H ALA A 83 6.396 -6.295 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 83 5.864 -7.810 -7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.675 -9.308 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.345 -8.998 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.988 -8.168 -4.250 1.00 0.00 H new ATOM 1260 N GLY A 84 3.989 -5.502 -6.268 1.00 0.00 N ATOM 1261 CA GLY A 84 2.744 -4.815 -6.513 1.00 0.00 C ATOM 1262 C GLY A 84 2.007 -4.500 -5.231 1.00 0.00 C ATOM 1263 O GLY A 84 2.624 -4.197 -4.206 1.00 0.00 O ATOM 0 H GLY A 84 4.747 -4.907 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.941 -3.890 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.111 -5.430 -7.153 1.00 0.00 H new ATOM 1267 N LEU A 85 0.690 -4.584 -5.284 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.143 -4.281 -4.139 1.00 0.00 C ATOM 1269 C LEU A 85 -0.674 -5.577 -3.541 1.00 0.00 C ATOM 1270 O LEU A 85 -1.486 -6.277 -4.155 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.304 -3.357 -4.526 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.915 -1.951 -5.014 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.391 -1.983 -6.444 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -2.101 -1.007 -4.906 1.00 0.00 C ATOM 0 H LEU A 85 0.172 -4.863 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 85 0.462 -3.759 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.884 -3.844 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.961 -3.251 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.113 -1.586 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.126 -0.973 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.491 -2.622 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.163 -2.377 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.810 -0.016 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.921 -1.381 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.424 -0.945 -3.867 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.191 -5.902 -2.357 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.547 -7.144 -1.696 1.00 0.00 C ATOM 1288 C LYS A 86 -1.357 -6.860 -0.433 1.00 0.00 C ATOM 1289 O LYS A 86 -0.931 -6.100 0.429 1.00 0.00 O ATOM 1290 CB LYS A 86 0.744 -7.927 -1.399 1.00 0.00 C ATOM 1291 CG LYS A 86 0.591 -9.121 -0.470 1.00 0.00 C ATOM 1292 CD LYS A 86 0.839 -8.735 0.981 1.00 0.00 C ATOM 1293 CE LYS A 86 0.899 -9.951 1.884 1.00 0.00 C ATOM 1294 NZ LYS A 86 -0.322 -10.789 1.776 1.00 0.00 N ATOM 0 H LYS A 86 0.456 -5.317 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.180 -7.753 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.161 -8.276 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.471 -7.242 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.412 -9.535 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.290 -9.904 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.775 -8.181 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.046 -8.069 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.773 -10.550 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.026 -9.628 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.291 -11.541 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.164 -10.198 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.368 -11.216 0.829 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.538 -7.455 -0.343 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.427 -7.227 0.791 1.00 0.00 C ATOM 1310 C VAL A 87 -2.901 -7.933 2.040 1.00 0.00 C ATOM 1311 O VAL A 87 -2.590 -9.129 2.005 1.00 0.00 O ATOM 1312 CB VAL A 87 -4.856 -7.727 0.487 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.809 -7.387 1.625 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.362 -7.148 -0.825 1.00 0.00 C ATOM 0 H VAL A 87 -2.905 -8.101 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.459 -6.152 0.970 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.817 -8.812 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.808 -7.751 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.462 -7.860 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.840 -6.306 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.370 -7.514 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.377 -6.060 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.702 -7.455 -1.637 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.787 -7.191 3.134 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.294 -7.751 4.389 1.00 0.00 C ATOM 1326 C VAL A 88 -3.369 -7.759 5.468 1.00 0.00 C ATOM 1327 O VAL A 88 -3.181 -8.356 6.526 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.066 -6.979 4.917 1.00 0.00 C ATOM 1329 CG1 VAL A 88 0.155 -7.251 4.059 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.351 -5.488 4.977 1.00 0.00 C ATOM 0 H VAL A 88 -3.028 -6.201 3.179 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.004 -8.778 4.166 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.859 -7.331 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.007 -6.696 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.379 -8.318 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.043 -6.936 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.472 -4.964 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.592 -5.123 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.194 -5.305 5.644 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.490 -7.104 5.202 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.562 -7.061 6.174 1.00 0.00 C ATOM 1342 C GLY A 89 -6.784 -6.341 5.653 1.00 0.00 C ATOM 1343 O GLY A 89 -6.704 -5.600 4.673 1.00 0.00 O ATOM 0 H GLY A 89 -4.676 -6.603 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.835 -8.078 6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.209 -6.565 7.078 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.914 -6.550 6.317 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.177 -5.950 5.899 1.00 0.00 C ATOM 1349 C TYR A 90 -9.577 -4.838 6.864 1.00 0.00 C ATOM 1350 O TYR A 90 -10.759 -4.574 7.078 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.269 -7.023 5.840 1.00 0.00 C ATOM 1352 CG TYR A 90 -9.921 -8.191 4.941 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.066 -8.101 3.562 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.440 -9.382 5.473 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -9.743 -9.164 2.739 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.114 -10.449 4.657 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.268 -10.336 3.292 1.00 0.00 C ATOM 1358 OH TYR A 90 -8.941 -11.396 2.477 1.00 0.00 O ATOM 0 H TYR A 90 -7.983 -7.133 7.151 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.053 -5.518 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.458 -7.394 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.195 -6.568 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.437 -7.185 3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.319 -9.475 6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.862 -9.078 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.740 -11.367 5.087 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.622 -12.143 3.025 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.576 -4.188 7.438 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.796 -3.092 8.367 1.00 0.00 C ATOM 1370 C ALA A 91 -7.597 -2.157 8.349 1.00 0.00 C ATOM 1371 O ALA A 91 -6.528 -2.531 7.866 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.037 -3.621 9.773 1.00 0.00 C ATOM 0 H ALA A 91 -7.593 -4.405 7.274 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.683 -2.539 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.199 -2.785 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.916 -4.265 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.168 -4.192 10.101 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.770 -0.949 8.871 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.689 0.027 8.893 1.00 0.00 C ATOM 1380 C PHE A 92 -5.548 -0.442 9.789 1.00 0.00 C ATOM 1381 O PHE A 92 -5.748 -0.724 10.974 1.00 0.00 O ATOM 1382 CB PHE A 92 -7.189 1.398 9.365 1.00 0.00 C ATOM 1383 CG PHE A 92 -8.102 2.090 8.389 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.853 2.042 7.027 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -9.205 2.797 8.839 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.687 2.685 6.132 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -10.041 3.444 7.951 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.783 3.388 6.595 1.00 0.00 C ATOM 0 H PHE A 92 -8.644 -0.623 9.283 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.318 0.124 7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.714 1.275 10.312 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.329 2.039 9.559 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.997 1.495 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.414 2.843 9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.483 2.638 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.896 3.994 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.436 3.892 5.898 1.00 0.00 H new ATOM 1398 N ASP A 93 -4.356 -0.541 9.196 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.132 -0.893 9.922 1.00 0.00 C ATOM 1400 C ASP A 93 -3.182 -2.328 10.437 1.00 0.00 C ATOM 1401 O ASP A 93 -2.493 -2.682 11.395 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.882 0.081 11.079 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.846 1.525 10.622 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -1.789 1.986 10.139 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -3.882 2.208 10.732 1.00 0.00 O ATOM 0 H ASP A 93 -4.211 -0.380 8.199 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.303 -0.816 9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.665 -0.041 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.937 -0.168 11.562 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.987 -3.154 9.786 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.075 -4.566 10.125 1.00 0.00 C ATOM 1412 C GLN A 94 -3.213 -5.375 9.164 1.00 0.00 C ATOM 1413 O GLN A 94 -3.547 -5.506 7.991 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.531 -5.042 10.061 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.739 -6.480 10.523 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.727 -6.641 12.037 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -4.995 -5.786 12.736 1.00 0.00 O flip ATOM 1418 NE2 GLN A 94 -6.380 -7.530 12.576 1.00 0.00 N flip ATOM 0 H GLN A 94 -4.592 -2.869 9.016 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.712 -4.711 11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.144 -4.383 10.675 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.888 -4.946 9.036 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.690 -6.844 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.958 -7.108 10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.933 -8.172 12.008 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.369 -7.627 13.591 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.098 -5.896 9.662 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.162 -6.627 8.818 1.00 0.00 C ATOM 1429 C VAL A 95 -0.939 -8.046 9.326 1.00 0.00 C ATOM 1430 O VAL A 95 -0.419 -8.249 10.424 1.00 0.00 O ATOM 1431 CB VAL A 95 0.202 -5.904 8.723 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.194 -6.710 7.891 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.024 -4.513 8.136 1.00 0.00 C ATOM 0 H VAL A 95 -1.821 -5.826 10.641 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.612 -6.671 7.826 1.00 0.00 H new ATOM 0 HB VAL A 95 0.606 -5.810 9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.144 -6.178 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.348 -7.685 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.800 -6.844 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.993 -4.017 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.406 -4.592 7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.642 -3.932 8.773 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.354 -9.017 8.530 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.052 -10.412 8.799 1.00 0.00 C ATOM 1445 C ASP A 96 -0.403 -11.036 7.575 1.00 0.00 C ATOM 1446 O ASP A 96 -1.042 -11.187 6.534 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.316 -11.184 9.181 1.00 0.00 C ATOM 1448 CG ASP A 96 -2.043 -12.656 9.416 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -1.258 -12.986 10.332 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -2.601 -13.494 8.680 1.00 0.00 O ATOM 0 H ASP A 96 -1.905 -8.862 7.686 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.362 -10.463 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.746 -10.748 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.058 -11.076 8.390 1.00 0.00 H new ATOM 1455 N ASP A 97 0.872 -11.377 7.696 1.00 0.00 N ATOM 1456 CA ASP A 97 1.639 -11.913 6.571 1.00 0.00 C ATOM 1457 C ASP A 97 1.218 -13.346 6.250 1.00 0.00 C ATOM 1458 O ASP A 97 1.591 -13.898 5.217 1.00 0.00 O ATOM 1459 CB ASP A 97 3.141 -11.843 6.869 1.00 0.00 C ATOM 1460 CG ASP A 97 4.000 -12.307 5.706 1.00 0.00 C ATOM 1461 OD1 ASP A 97 4.094 -11.573 4.697 1.00 0.00 O ATOM 1462 OD2 ASP A 97 4.600 -13.399 5.804 1.00 0.00 O ATOM 0 H ASP A 97 1.402 -11.293 8.563 1.00 0.00 H new ATOM 0 HA ASP A 97 1.429 -11.300 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.408 -10.817 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.361 -12.456 7.743 1.00 0.00 H new ATOM 1467 N HIS A 98 0.410 -13.933 7.125 1.00 0.00 N ATOM 1468 CA HIS A 98 -0.096 -15.284 6.902 1.00 0.00 C ATOM 1469 C HIS A 98 -1.156 -15.251 5.816 1.00 0.00 C ATOM 1470 O HIS A 98 -1.489 -16.274 5.217 1.00 0.00 O ATOM 1471 CB HIS A 98 -0.667 -15.878 8.189 1.00 0.00 C ATOM 1472 CG HIS A 98 0.333 -15.956 9.297 1.00 0.00 C ATOM 1473 ND1 HIS A 98 0.363 -15.063 10.343 1.00 0.00 N ATOM 1474 CD2 HIS A 98 1.354 -16.815 9.508 1.00 0.00 C ATOM 1475 CE1 HIS A 98 1.358 -15.370 11.151 1.00 0.00 C ATOM 1476 NE2 HIS A 98 1.981 -16.430 10.665 1.00 0.00 N ATOM 0 H HIS A 98 0.092 -13.498 7.991 1.00 0.00 H new ATOM 0 HA HIS A 98 0.730 -15.920 6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.514 -15.275 8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.049 -16.878 7.982 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.284 -14.285 10.473 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.626 -17.651 8.881 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.620 -14.844 12.057 1.00 0.00 H new ATOM 1485 N LEU A 99 -1.693 -14.062 5.580 1.00 0.00 N ATOM 1486 CA LEU A 99 -2.550 -13.834 4.439 1.00 0.00 C ATOM 1487 C LEU A 99 -1.733 -13.934 3.168 1.00 0.00 C ATOM 1488 O LEU A 99 -0.847 -13.118 2.923 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.217 -12.463 4.511 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.483 -12.387 5.358 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.964 -10.955 5.439 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.566 -13.271 4.766 1.00 0.00 C ATOM 0 H LEU A 99 -1.546 -13.242 6.169 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.333 -14.593 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.495 -11.748 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.460 -12.144 3.498 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.256 -12.742 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.869 -10.909 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.190 -10.336 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.180 -10.587 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.464 -13.207 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.795 -12.938 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.218 -14.304 4.738 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.039 -14.924 2.364 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.275 -15.187 1.158 1.00 0.00 C ATOM 1506 C GLN A 100 -2.121 -14.905 -0.071 1.00 0.00 C ATOM 1507 O GLN A 100 -2.206 -15.715 -0.993 1.00 0.00 O ATOM 1508 CB GLN A 100 -0.743 -16.624 1.167 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.800 -17.690 1.421 1.00 0.00 C ATOM 1510 CD GLN A 100 -1.188 -19.035 1.775 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -0.030 -19.002 2.416 1.00 0.00 O flip ATOM 1512 NE2 GLN A 100 -1.750 -20.090 1.481 1.00 0.00 N flip ATOM 0 H GLN A 100 -2.815 -15.567 2.521 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.414 -14.519 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.265 -16.826 0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.029 -16.707 1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.453 -17.366 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.424 -17.799 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.642 -20.072 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.324 -20.982 1.732 1.00 0.00 H new ATOM 1521 N THR A 101 -2.745 -13.740 -0.063 1.00 0.00 N ATOM 1522 CA THR A 101 -3.549 -13.287 -1.177 1.00 0.00 C ATOM 1523 C THR A 101 -2.666 -13.011 -2.396 1.00 0.00 C ATOM 1524 O THR A 101 -1.566 -12.470 -2.262 1.00 0.00 O ATOM 1525 CB THR A 101 -4.329 -12.018 -0.785 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.460 -11.109 -0.091 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.518 -12.362 0.104 1.00 0.00 C ATOM 0 H THR A 101 -2.707 -13.084 0.717 1.00 0.00 H new ATOM 0 HA THR A 101 -4.260 -14.072 -1.436 1.00 0.00 H new ATOM 0 HB THR A 101 -4.701 -11.550 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.813 -10.940 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.052 -11.449 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.189 -13.034 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.164 -12.849 1.012 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.121 -13.413 -3.591 1.00 0.00 N ATOM 1536 CA PRO A 102 -2.362 -13.223 -4.831 1.00 0.00 C ATOM 1537 C PRO A 102 -1.949 -11.769 -5.050 1.00 0.00 C ATOM 1538 O PRO A 102 -2.771 -10.855 -4.960 1.00 0.00 O ATOM 1539 CB PRO A 102 -3.340 -13.676 -5.919 1.00 0.00 C ATOM 1540 CG PRO A 102 -4.258 -14.622 -5.227 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.404 -14.097 -3.827 1.00 0.00 C ATOM 0 HA PRO A 102 -1.425 -13.780 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.885 -12.831 -6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.819 -14.161 -6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.224 -14.669 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.850 -15.633 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.248 -13.413 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.570 -14.901 -3.110 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.665 -11.566 -5.320 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.127 -10.239 -5.576 1.00 0.00 C ATOM 1551 C TYR A 103 -0.730 -9.662 -6.853 1.00 0.00 C ATOM 1552 O TYR A 103 -0.785 -10.338 -7.883 1.00 0.00 O ATOM 1553 CB TYR A 103 1.401 -10.305 -5.709 1.00 0.00 C ATOM 1554 CG TYR A 103 2.079 -11.123 -4.631 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.357 -10.580 -3.385 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.442 -12.443 -4.866 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.980 -11.328 -2.402 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.064 -13.198 -3.890 1.00 0.00 C ATOM 1559 CZ TYR A 103 3.330 -12.638 -2.658 1.00 0.00 C ATOM 1560 OH TYR A 103 3.951 -13.390 -1.684 1.00 0.00 O ATOM 0 H TYR A 103 0.028 -12.313 -5.367 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.385 -9.592 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.653 -10.726 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.801 -9.291 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.082 -9.556 -3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.234 -12.887 -5.828 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.192 -10.889 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.341 -14.222 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 103 4.127 -14.290 -2.029 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.201 -8.425 -6.779 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.721 -7.741 -7.954 1.00 0.00 C ATOM 1572 C HIS A 104 -0.745 -6.660 -8.375 1.00 0.00 C ATOM 1573 O HIS A 104 -0.262 -5.896 -7.543 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.097 -7.126 -7.689 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.163 -8.131 -7.369 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.048 -8.620 -8.307 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.493 -8.731 -6.200 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.873 -9.475 -7.728 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.556 -9.559 -6.450 1.00 0.00 N ATOM 0 H HIS A 104 -1.234 -7.876 -5.920 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.837 -8.474 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.016 -6.422 -6.861 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.403 -6.554 -8.565 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.008 -8.584 -5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.671 -10.013 -8.218 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.026 -10.145 -5.760 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.479 -6.587 -9.663 1.00 0.00 N ATOM 1589 CA GLU A 105 0.567 -5.718 -10.178 1.00 0.00 C ATOM 1590 C GLU A 105 0.106 -4.265 -10.236 1.00 0.00 C ATOM 1591 O GLU A 105 0.828 -3.354 -9.831 1.00 0.00 O ATOM 1592 CB GLU A 105 0.999 -6.195 -11.564 1.00 0.00 C ATOM 1593 CG GLU A 105 2.091 -5.350 -12.194 1.00 0.00 C ATOM 1594 CD GLU A 105 2.499 -5.858 -13.558 1.00 0.00 C ATOM 1595 OE1 GLU A 105 1.703 -5.717 -14.512 1.00 0.00 O ATOM 1596 OE2 GLU A 105 3.615 -6.400 -13.688 1.00 0.00 O ATOM 0 H GLU A 105 -0.974 -7.121 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 105 1.417 -5.767 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.348 -7.225 -11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.131 -6.199 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.745 -4.320 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.962 -5.339 -11.538 1.00 0.00 H new ATOM 1603 N THR A 106 -1.100 -4.045 -10.731 1.00 0.00 N ATOM 1604 CA THR A 106 -1.599 -2.696 -10.903 1.00 0.00 C ATOM 1605 C THR A 106 -2.717 -2.386 -9.920 1.00 0.00 C ATOM 1606 O THR A 106 -3.575 -3.232 -9.647 1.00 0.00 O ATOM 1607 CB THR A 106 -2.102 -2.464 -12.340 1.00 0.00 C ATOM 1608 OG1 THR A 106 -3.026 -3.496 -12.712 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.943 -2.434 -13.325 1.00 0.00 C ATOM 0 H THR A 106 -1.747 -4.780 -11.019 1.00 0.00 H new ATOM 0 HA THR A 106 -0.763 -2.024 -10.707 1.00 0.00 H new ATOM 0 HB THR A 106 -2.606 -1.498 -12.370 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.341 -3.339 -13.626 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.326 -2.269 -14.332 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.260 -1.627 -13.059 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.411 -3.385 -13.290 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.699 -1.169 -9.383 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.777 -0.695 -8.526 1.00 0.00 C ATOM 1619 C VAL A 107 -5.071 -0.607 -9.332 1.00 0.00 C ATOM 1620 O VAL A 107 -6.168 -0.699 -8.785 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.440 0.681 -7.901 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.258 1.747 -8.973 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.505 1.103 -6.897 1.00 0.00 C ATOM 0 H VAL A 107 -1.948 -0.494 -9.528 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.903 -1.406 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.494 0.576 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.022 2.701 -8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.443 1.460 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.178 1.845 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.242 2.073 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.470 1.175 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.566 0.363 -6.099 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.916 -0.465 -10.648 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.044 -0.429 -11.567 1.00 0.00 C ATOM 1635 C TYR A 108 -6.896 -1.681 -11.413 1.00 0.00 C ATOM 1636 O TYR A 108 -8.068 -1.608 -11.053 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.550 -0.333 -13.015 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.800 0.940 -13.340 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -3.446 1.068 -13.057 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -5.446 2.010 -13.944 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -2.760 2.227 -13.362 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -4.767 3.172 -14.254 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.424 3.275 -13.962 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.740 4.426 -14.275 1.00 0.00 O ATOM 0 H TYR A 108 -4.007 -0.372 -11.102 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.645 0.449 -11.330 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.901 -1.184 -13.221 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.407 -0.416 -13.684 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.921 0.247 -12.591 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.498 1.932 -14.176 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.708 2.312 -13.131 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.286 3.995 -14.723 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.352 5.067 -14.694 1.00 0.00 H new ATOM 1654 N SER A 109 -6.283 -2.832 -11.664 1.00 0.00 N ATOM 1655 CA SER A 109 -6.986 -4.103 -11.622 1.00 0.00 C ATOM 1656 C SER A 109 -7.358 -4.474 -10.185 1.00 0.00 C ATOM 1657 O SER A 109 -8.414 -5.063 -9.939 1.00 0.00 O ATOM 1658 CB SER A 109 -6.111 -5.193 -12.251 1.00 0.00 C ATOM 1659 OG SER A 109 -6.810 -6.421 -12.375 1.00 0.00 O ATOM 0 H SER A 109 -5.294 -2.908 -11.900 1.00 0.00 H new ATOM 0 HA SER A 109 -7.911 -4.013 -12.192 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.773 -4.866 -13.234 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.220 -5.342 -11.641 1.00 0.00 H new ATOM 0 HG SER A 109 -6.223 -7.092 -12.781 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.499 -4.109 -9.236 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.729 -4.436 -7.837 1.00 0.00 C ATOM 1667 C LEU A 110 -7.962 -3.728 -7.297 1.00 0.00 C ATOM 1668 O LEU A 110 -8.892 -4.366 -6.813 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.527 -4.058 -6.975 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.768 -4.236 -5.480 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.854 -5.713 -5.125 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.685 -3.547 -4.673 1.00 0.00 C ATOM 0 H LEU A 110 -5.640 -3.588 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.884 -5.514 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.672 -4.666 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.262 -3.019 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.721 -3.769 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.026 -5.820 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.677 -6.172 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.920 -6.207 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.878 -3.688 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.715 -3.976 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.682 -2.482 -4.903 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.967 -2.407 -7.382 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.040 -1.622 -6.800 1.00 0.00 C ATOM 1686 C LEU A 111 -10.347 -1.899 -7.528 1.00 0.00 C ATOM 1687 O LEU A 111 -11.419 -1.898 -6.922 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.693 -0.132 -6.848 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.627 0.783 -6.053 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.645 0.380 -4.586 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.194 2.232 -6.198 1.00 0.00 C ATOM 0 H LEU A 111 -7.243 -1.859 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.163 -1.909 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.678 -0.000 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.694 0.191 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.636 0.679 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.314 1.041 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.995 -0.648 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.639 0.458 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.867 2.872 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.178 2.347 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.226 2.518 -7.249 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.242 -2.187 -8.821 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.414 -2.459 -9.647 1.00 0.00 C ATOM 1705 C ASP A 112 -12.138 -3.722 -9.184 1.00 0.00 C ATOM 1706 O ASP A 112 -13.369 -3.783 -9.189 1.00 0.00 O ATOM 1707 CB ASP A 112 -11.014 -2.606 -11.115 1.00 0.00 C ATOM 1708 CG ASP A 112 -12.203 -2.869 -12.013 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.975 -1.926 -12.267 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.362 -4.019 -12.480 1.00 0.00 O ATOM 0 H ASP A 112 -9.355 -2.238 -9.321 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.093 -1.613 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.508 -1.698 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.299 -3.423 -11.214 1.00 0.00 H new ATOM 1715 N THR A 113 -11.372 -4.729 -8.771 1.00 0.00 N ATOM 1716 CA THR A 113 -11.963 -5.982 -8.325 1.00 0.00 C ATOM 1717 C THR A 113 -12.490 -5.845 -6.897 1.00 0.00 C ATOM 1718 O THR A 113 -13.304 -6.654 -6.443 1.00 0.00 O ATOM 1719 CB THR A 113 -10.963 -7.166 -8.418 1.00 0.00 C ATOM 1720 OG1 THR A 113 -11.671 -8.413 -8.383 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.949 -7.140 -7.285 1.00 0.00 C ATOM 0 H THR A 113 -10.353 -4.701 -8.737 1.00 0.00 H new ATOM 0 HA THR A 113 -12.794 -6.204 -8.994 1.00 0.00 H new ATOM 0 HB THR A 113 -10.427 -7.064 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.032 -9.154 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.268 -7.985 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.382 -6.210 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.469 -7.207 -6.329 1.00 0.00 H new ATOM 1729 N LEU A 114 -12.036 -4.808 -6.198 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.507 -4.529 -4.850 1.00 0.00 C ATOM 1731 C LEU A 114 -13.803 -3.737 -4.915 1.00 0.00 C ATOM 1732 O LEU A 114 -14.774 -4.048 -4.223 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.456 -3.745 -4.056 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.137 -4.482 -3.817 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.145 -3.583 -3.097 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.370 -5.756 -3.025 1.00 0.00 C ATOM 0 H LEU A 114 -11.341 -4.147 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.684 -5.477 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.244 -2.815 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.882 -3.473 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.718 -4.752 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.213 -4.125 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.950 -2.698 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.560 -3.281 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.419 -6.265 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.815 -5.509 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.044 -6.410 -3.578 1.00 0.00 H new ATOM 1748 N SER A 115 -13.807 -2.718 -5.757 1.00 0.00 N ATOM 1749 CA SER A 115 -14.982 -1.902 -5.974 1.00 0.00 C ATOM 1750 C SER A 115 -15.148 -1.605 -7.458 1.00 0.00 C ATOM 1751 O SER A 115 -14.343 -0.885 -8.046 1.00 0.00 O ATOM 1752 CB SER A 115 -14.878 -0.593 -5.186 1.00 0.00 C ATOM 1753 OG SER A 115 -14.890 -0.829 -3.789 1.00 0.00 O ATOM 0 H SER A 115 -12.996 -2.436 -6.307 1.00 0.00 H new ATOM 0 HA SER A 115 -15.855 -2.452 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.960 -0.073 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.708 0.061 -5.453 1.00 0.00 H new ATOM 0 HG SER A 115 -15.552 -0.244 -3.364 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.208 -2.147 -8.082 1.00 0.00 N ATOM 1760 CA PRO A 116 -16.494 -1.919 -9.505 1.00 0.00 C ATOM 1761 C PRO A 116 -16.802 -0.452 -9.790 1.00 0.00 C ATOM 1762 O PRO A 116 -16.875 -0.026 -10.944 1.00 0.00 O ATOM 1763 CB PRO A 116 -17.726 -2.791 -9.773 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.345 -3.015 -8.435 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.209 -3.027 -7.450 1.00 0.00 C ATOM 0 HA PRO A 116 -15.644 -2.168 -10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -18.421 -2.294 -10.450 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -17.446 -3.735 -10.240 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.059 -2.226 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -18.892 -3.957 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.517 -2.651 -6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.820 -4.034 -7.295 1.00 0.00 H new ATOM 1773 N ALA A 117 -16.961 0.318 -8.715 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.164 1.753 -8.809 1.00 0.00 C ATOM 1775 C ALA A 117 -15.873 2.451 -9.225 1.00 0.00 C ATOM 1776 O ALA A 117 -15.850 3.661 -9.455 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.668 2.300 -7.483 1.00 0.00 C ATOM 0 H ALA A 117 -16.952 -0.039 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 117 -17.917 1.949 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.816 3.377 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.614 1.822 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.936 2.094 -6.702 1.00 0.00 H new ATOM 1783 N TYR A 118 -14.798 1.677 -9.313 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.532 2.177 -9.816 1.00 0.00 C ATOM 1785 C TYR A 118 -13.697 2.647 -11.254 1.00 0.00 C ATOM 1786 O TYR A 118 -13.300 3.757 -11.603 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.465 1.081 -9.741 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.112 1.503 -10.261 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.264 2.274 -9.484 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -10.681 1.123 -11.526 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.025 2.662 -9.949 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -9.442 1.507 -11.999 1.00 0.00 C ATOM 1793 CZ TYR A 118 -8.617 2.275 -11.205 1.00 0.00 C ATOM 1794 OH TYR A 118 -7.384 2.664 -11.671 1.00 0.00 O ATOM 0 H TYR A 118 -14.782 0.694 -9.040 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.214 3.019 -9.201 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.360 0.761 -8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.807 0.216 -10.309 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.578 2.577 -8.496 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.324 0.519 -12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.378 3.267 -9.331 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.121 1.207 -12.986 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.137 2.113 -12.443 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.316 1.807 -12.079 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.535 2.138 -13.482 1.00 0.00 C ATOM 1806 C ARG A 119 -15.652 3.162 -13.656 1.00 0.00 C ATOM 1807 O ARG A 119 -15.843 3.699 -14.747 1.00 0.00 O ATOM 1808 CB ARG A 119 -14.826 0.881 -14.295 1.00 0.00 C ATOM 1809 CG ARG A 119 -13.568 0.192 -14.795 1.00 0.00 C ATOM 1810 CD ARG A 119 -13.887 -1.106 -15.513 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.130 -2.192 -14.571 1.00 0.00 N ATOM 1812 CZ ARG A 119 -14.942 -3.222 -14.793 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -15.648 -3.297 -15.911 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -15.048 -4.182 -13.884 1.00 0.00 N ATOM 0 H ARG A 119 -14.674 0.894 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.616 2.590 -13.856 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.397 0.183 -13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.453 1.143 -15.147 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.032 0.859 -15.470 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -12.905 -0.011 -13.954 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -14.765 -0.968 -16.144 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.060 -1.372 -16.171 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.642 -2.160 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -15.572 -2.560 -16.612 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.267 -4.091 -16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -14.508 -4.128 -13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.669 -4.974 -14.049 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.381 3.433 -12.584 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.348 4.524 -12.582 1.00 0.00 C ATOM 1830 C GLU A 120 -16.603 5.847 -12.678 1.00 0.00 C ATOM 1831 O GLU A 120 -16.903 6.694 -13.520 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.188 4.504 -11.305 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.055 3.267 -11.148 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.160 3.199 -12.177 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -21.110 4.007 -12.088 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.095 2.330 -13.068 1.00 0.00 O ATOM 0 H GLU A 120 -16.323 2.916 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.016 4.404 -13.435 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -17.523 4.579 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.828 5.386 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -18.431 2.377 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -19.492 3.258 -10.149 1.00 0.00 H new ATOM 1843 N ALA A 121 -15.609 5.999 -11.815 1.00 0.00 N ATOM 1844 CA ALA A 121 -14.784 7.190 -11.800 1.00 0.00 C ATOM 1845 C ALA A 121 -13.777 7.156 -12.943 1.00 0.00 C ATOM 1846 O ALA A 121 -13.459 8.185 -13.539 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.074 7.312 -10.463 1.00 0.00 C ATOM 0 H ALA A 121 -15.356 5.304 -11.112 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.423 8.063 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -13.456 8.210 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -14.812 7.377 -9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -13.444 6.437 -10.305 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.287 5.962 -13.252 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.332 5.791 -14.338 1.00 0.00 C ATOM 1855 C PHE A 122 -12.988 6.111 -15.677 1.00 0.00 C ATOM 1856 O PHE A 122 -12.355 6.675 -16.567 1.00 0.00 O ATOM 1857 CB PHE A 122 -11.773 4.366 -14.339 1.00 0.00 C ATOM 1858 CG PHE A 122 -10.612 4.165 -15.276 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -9.361 4.674 -14.964 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -10.770 3.463 -16.460 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.289 4.489 -15.818 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -9.702 3.275 -17.317 1.00 0.00 C ATOM 1863 CZ PHE A 122 -8.461 3.788 -16.994 1.00 0.00 C ATOM 0 H PHE A 122 -13.535 5.100 -12.767 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.505 6.484 -14.185 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.459 4.109 -13.327 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -12.570 3.674 -14.611 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.222 5.221 -14.043 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -11.738 3.058 -16.716 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -7.320 4.892 -15.565 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.838 2.728 -18.238 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.625 3.640 -17.662 1.00 0.00 H new